| 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 | 43.4 | Very low | 43.6 | Very low | 228 Ų | 228 | 157.5 Ų | 157.5 | 100% | 1.123 | 82% | 0.822 | S | S | * | * | 0 | 118 | 0 | -78.4 | -60.3 | -170.4 | 0 | 0 | 106.7 | |||||
| 2 | L | 44.4 | Very low | 42.9 | Very low | 155 Ų | 155 | 159.9 Ų | 159.9 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | 57.7 | 106.7 | -173.8 | -67.3 | 70.9 | 0 | 0 | 0 | 113.6 | ||||
| 3 | T | 46.8 | Very low | 42.5 | Very low | 122 Ų | 122 | 166.3 Ų | 166.3 | 75% | 0.748 | 83% | 0.833 | S | S | * | * | 73 | 91.1 | 51.5 | 74.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 4 | D | 51.3 | Low | 41.9 | Very low | 148 Ų | 148 | 166.1 Ų | 166.1 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | 24 | 153.1 | 103.6 | -76.7 | -67.2 | 0 | 0 | 0 | 119.3 | |||||
| 5 | P | 54.5 | Low | 41.6 | Very low | 116 Ų | 116 | 163 Ų | 163 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | cis | -155.1 | 160.3 | 42.8 | 46.7 | -26.5 | 0 | 0 | 0 | 122.1 | ||||
| 6 | D | 43.6 | Very low | 41.3 | Very low | 134 Ų | 134 | 159.3 Ų | 159.3 | 72% | 0.717 | 83% | 0.825 | S | S | * | * | trans | 86.2 | 149.1 | 132.8 | -115.1 | -30 | 0 | 0 | 0 | 127.3 | ||||
| 7 | L | 49.7 | Very low | 41.5 | Very low | 144 Ų | 144 | 160.8 Ų | 160.8 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | 68.6 | 144.3 | 155.8 | -64.1 | 169.2 | 0 | 0 | 0 | 121 | ||||
| 8 | P | 39.6 | Very low | 41.7 | Very low | 108 Ų | 108 | 164.7 Ų | 164.7 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | -138.6 | 146.1 | -60.4 | 33.7 | -15 | 0 | 0 | 0 | 116 | E10 | P8-E10 PolarHBondContact O-N 3.15Š| |||
| 9 | Q | 34.1 | Very low | 42.3 | Very low | 189 Ų | 189 | 162.9 Ų | 162.9 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | 11 | 96.4 | 141.5 | -166.7 | 174.3 | 20 | 0 | 0 | 120.4 | ||||
| 10 | E | 38.4 | Very low | 42.4 | Very low | 186 Ų | 186 | 159.6 Ų | 159.6 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -136 | 77.6 | 157.2 | -101 | -77.6 | 130.8 | 0 | 0 | 109.7 | P8 | P8-E10 PolarHBondContact O-N 3.15Š| ||
| 11 | F | 33.6 | Very low | 42.4 | Very low | 203 Ų | 203 | 156.1 Ų | 156.1 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -140.1 | 160.5 | 171.3 | -102.8 | -96.2 | 0 | 0 | 0 | 109.8 | ||||
| 12 | E | 36 | Very low | 42.8 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | 66.8 | 78.3 | -174.9 | -61.2 | -149.7 | 135.6 | 0 | 0 | 117.4 | ||||
| 13 | R | 37.3 | Very low | 42.6 | Very low | 243 Ų | 243 | 154 Ų | 154 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -155.1 | 162.6 | 142.5 | -107.8 | 152.2 | -170.7 | 162.8 | 4.1 | 111 | ||||
| 14 | M | 34.6 | Very low | 42.2 | Very low | 163 Ų | 163 | 151.4 Ų | 151.4 | 80% | 0.803 | 80% | 0.8 | S | S | * | * | trans | 72.1 | 49.7 | 178.7 | -57.1 | -174.1 | -77.3 | 0 | 0 | 117.8 | ||||
| 15 | S | 37.4 | Very low | 41.4 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -70.9 | 154.2 | 147.6 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 16 | S | 36.3 | Very low | 41 | Very low | 104 Ų | 104 | 152.5 Ų | 152.5 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 58.1 | 88.9 | 171.9 | -160.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 17 | K | 44.4 | Very low | 40.7 | Very low | 185 Ų | 185 | 154.3 Ų | 154.3 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -125.6 | 118.6 | 151.5 | -79.6 | -179.8 | 177 | 170.3 | 0 | 109.4 | ||||
| 18 | R | 45.6 | Very low | 40.7 | Very low | 230 Ų | 230 | 150.5 Ų | 150.5 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 148.4 | 176.2 | -61.3 | -179.4 | -175.6 | 178.5 | 1.6 | 110 | A20 | R18-A20 PolarHBondContact O-N 2.72Š|
| 19 | P | 53 | Low | 40.4 | Very low | 131 Ų | 131 | 154.4 Ų | 154.4 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 128 | 167.8 | 28.3 | -33.3 | 0 | 0 | 0 | 109.5 | ||
| 20 | A | 43.5 | Very low | 40.9 | Very low | 97 Ų | 97 | 152 Ų | 152 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74 | 145.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R18 | R18-A20 PolarHBondContact O-N 2.72Š|
| 21 | S | 43.4 | Very low | 40.9 | Very low | 86 Ų | 86 | 147.3 Ų | 147.3 | 60% | 0.601 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 141 | 170 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | Y23 | S21-Y23 WeakPolarHBondContact CB-O 3.27Å; S21-Y23 PolarHBondContact O-N 2.64Å; S21-Y23 PolarHBondContact OG-N 3.19Å; S21-Y23 PolarHBondContact OG-O 3.02Å |
| 22 | P | 52 | Low | 41.5 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -78.8 | -3.6 | 168.7 | 34.1 | -34.8 | 0 | 0 | 0 | 113.2 | ||
| 23 | Y | 38.7 | Very low | 41.7 | Very low | 209 Ų | 209 | 143.2 Ų | 143.2 | 82% | 0.82 | 81% | 0.806 | S | S | * | * | trans | -108.8 | 123.5 | 168.6 | -84.5 | -100.5 | 0 | 0 | 0 | 109.9 | S21 | S21-Y23 WeakPolarHBondContact CB-O 3.27Å; S21-Y23 PolarHBondContact O-N 2.64Å; S21-Y23 PolarHBondContact OG-N 3.19Å; S21-Y23 PolarHBondContact OG-O 3.02Å | ||
| 24 | G | 39.5 | Very low | 42.1 | Very low | 68 Ų | 68 | 138.5 Ų | 138.5 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -156.2 | 133.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 25 | E | 35.2 | Very low | 42 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -62.9 | 148.9 | -179 | -68.2 | 114.5 | 132.1 | 0 | 0 | 112.4 | ||||
| 26 | A | 45.8 | Very low | 42.1 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -136.6 | 87.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | G28 | A26-G28 PolarHBondContact O-N 3.25Š| ||
| 27 | D | 36.3 | Very low | 42.1 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | trans | -55.6 | 125.8 | 163.6 | -79.3 | -51.3 | 0 | 0 | 0 | 108.6 | ||||
| 28 | G | 50.1 | Low | 41.6 | Very low | 65 Ų | 65 | 144.3 Ų | 144.3 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | -168.3 | 63 | -164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A26 V30 | A26-G28 PolarHBondContact O-N 3.25Å; G28-V30 PolarHBondContact O-N 2.88Å; G28-V30 VanDerWaalsContact O-N 3.16Å | ||
| 29 | E | 34.1 | Very low | 41.7 | Very low | 190 Ų | 190 | 138 Ų | 138 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -61.1 | 110.7 | -176.8 | -174.5 | 178.8 | -145.6 | 0 | 0 | 111.9 | ||||
| 30 | V | 44.6 | Very low | 40.7 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -141.6 | 95.6 | 161.2 | -87 | 0 | 0 | 0 | 0 | 108.6 | G28 | G28-V30 PolarHBondContact O-N 2.88Å; G28-V30 VanDerWaalsContact O-N 3.16Å | ||
| 31 | A | 38.1 | Very low | 40.6 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -73.8 | 141 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 32 | M | 45.6 | Very low | 40.4 | Very low | 191 Ų | 191 | 147.5 Ų | 147.5 | 94% | 0.941 | 80% | 0.799 | S | S | * | * | trans | -134.6 | 131.4 | 154 | -94.8 | -62.7 | -168.4 | 0 | 0 | 108.7 | ||||
| 33 | V | 40.2 | Very low | 39.6 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | -93.3 | 128.8 | -167.5 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 34 | T | 45.9 | Very low | 39.7 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -136.8 | 97.4 | 149.7 | 52.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 35 | S | 33.3 | Very low | 39.5 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | -81.3 | 135.9 | -179.9 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 36 | R | 38.6 | Very low | 39.6 | Very low | 254 Ų | 254 | 146 Ų | 146 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | trans | -149 | 88.3 | 140.6 | -117.1 | 175.6 | -173.2 | -144.2 | -2.5 | 112.1 | ||||
| 37 | Q | 37.3 | Very low | 39.1 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -9.4 | 120.1 | 155.1 | -176.7 | 174.9 | -11.8 | 0 | 0 | 116.2 | V39 | Q37-V39 HydrophobicContact CG-CG2 4Š| ||
| 38 | K | 32.7 | Very low | 39.1 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -91.8 | 130.4 | 156.4 | -174.7 | -167.9 | -176.8 | -167.1 | 0 | 107.4 | E40 | K38-E40 HydrophobicContact CD-CG 4.13Å; K38-E40 WeakPolarHBondContact CE-OE1 3.38Å; K38-E40 HydrophobicContact CG-CG 4.45Å; K38-E40 IonicContact NZ-OE1 3.12Å; K38-E40 PolarHBondContact NZ-OE1 2.85Å | ||
| 39 | V | 46.9 | Very low | 38.2 | Very low | 97 Ų | 97 | 147.9 Ų | 147.9 | 59% | 0.588 | 81% | 0.808 | S | S | * | * | trans | -105.5 | 139.3 | 163.5 | -180 | 0 | 0 | 0 | 0 | 107.3 | Q37 | Q37-V39 HydrophobicContact CG-CG2 4Š| ||
| 40 | E | 33.2 | Very low | 38.1 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -118.3 | 113.8 | 170.5 | -64.7 | 175.9 | 143.8 | 0 | 0 | 106.1 | K38 | K38-E40 HydrophobicContact CD-CG 4.13Å; K38-E40 WeakPolarHBondContact CE-OE1 3.38Å; K38-E40 HydrophobicContact CG-CG 4.45Å; K38-E40 IonicContact NZ-OE1 3.12Å; K38-E40 PolarHBondContact NZ-OE1 2.85Å | ||
| 41 | E | 41.4 | Very low | 37.4 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -156.6 | 117.3 | 168.9 | -125.7 | 153.8 | -143.7 | 0 | 0 | 111.7 | ||||
| 42 | E | 39.5 | Very low | 37.7 | Very low | 198 Ų | 198 | 152.7 Ų | 152.7 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | 57.4 | 161 | 154 | -60.3 | -163.2 | 115.2 | 0 | 0 | 123.1 | ||||
| 43 | E | 34 | Very low | 37.3 | Very low | 189 Ų | 189 | 149.3 Ų | 149.3 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -118.3 | 126.8 | -163.1 | 176.3 | 178.6 | 106.1 | 0 | 0 | 109.3 | ||||
| 44 | S | 41.3 | Very low | 37 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -161.2 | 145.2 | 169.3 | -84.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 45 | D | 35.2 | Very low | 36.4 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 95% | 0.952 | 80% | 0.804 | S | S | * | * | trans | -63.2 | 139.3 | -173.2 | -74 | -71.7 | 0 | 0 | 0 | 114.7 | ||||
| 46 | G | 37.1 | Very low | 36.4 | Very low | 77 Ų | 77 | 153.7 Ų | 153.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 177.4 | 58.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 47 | L | 35.8 | Very low | 36.2 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -68.5 | 152.6 | 162.9 | -74.7 | 178.4 | 0 | 0 | 0 | 110.4 | ||||
| 48 | P | 36.7 | Very low | 36.3 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | cis | -135.6 | 179.6 | 36.2 | 41.6 | -24 | 0 | 0 | 0 | 117 | ||||
| 49 | A | 30.5 | Very low | 36.5 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -73.5 | 157.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 50 | F | 32.6 | Very low | 36 | Very low | 207 Ų | 207 | 146.9 Ų | 146.9 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | trans | -119.9 | 142.1 | 159 | -85.8 | -83.2 | 0 | 0 | 0 | 111.5 | ||||
| 51 | H | 30.4 | Very low | 36.2 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | trans | -96 | 164.8 | -169.9 | 179.5 | -88.9 | 0 | 0 | 0 | 110.8 | ||||
| 52 | L | 43.5 | Very low | 36.4 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | trans | -60.7 | 163.1 | 169.7 | -81.8 | 72.7 | 0 | 0 | 0 | 110.6 | ||||
| 53 | P | 36.6 | Very low | 36.4 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | -143.4 | 143.1 | 108.3 | 33.1 | -18.1 | 0 | 0 | 0 | 114.8 | |||||
| 54 | L | 33.7 | Very low | 36.6 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -87.5 | 125.8 | 152.1 | -68.8 | 166.1 | 0 | 0 | 0 | 107.5 | ||||
| 55 | H | 33.4 | Very low | 36.7 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | -156.7 | 162.3 | 157.2 | -145.1 | -101.5 | 0 | 0 | 0 | 113.8 | ||||
| 56 | V | 34.6 | Very low | 36.7 | Very low | 113 Ų | 113 | 140 Ų | 140 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -128.5 | 147 | -175.5 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 57 | S | 33.6 | Very low | 36.8 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -171.8 | 158.6 | 153.4 | -87.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 58 | F | 40.1 | Very low | 36.7 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -98 | 178.6 | -179.3 | -67.5 | -99 | 0 | 0 | 0 | 112.8 | ||||
| 59 | P | 37.2 | Very low | 36.7 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -126.8 | 170.3 | 130.8 | 37.2 | -29.9 | 0 | 0 | 0 | 114.3 | ||||
| 60 | N | 34.5 | Very low | 37.1 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | trans | -141.2 | 148.1 | -163.7 | 173 | 1.1 | 0 | 0 | 0 | 111.4 | ||||
| 61 | K | 38.5 | Very low | 37.1 | Very low | 200 Ų | 200 | 141 Ų | 141 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | trans | -166.5 | 157.8 | 151.2 | -105.4 | 143.9 | -174.1 | 175.8 | 0 | 114.5 | ||||
| 62 | P | 45.1 | Very low | 37.5 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | -136.3 | 174.6 | -144.1 | 45.2 | -30.3 | 0 | 0 | 0 | 118.8 | ||||
| 63 | H | 39.4 | Very low | 37.2 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | 175.4 | 163.6 | 153.6 | -106.2 | -72 | 0 | 0 | 0 | 109.2 | ||||
| 64 | S | 38.4 | Very low | 37.1 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 48% | 0.483 | 75% | 0.745 | S | S | . | * | cis | -164.5 | 149.8 | -12.5 | -148 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 65 | E | 43 | Very low | 37.3 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | 54.8 | 157.7 | 151.6 | -69.1 | 151.3 | 141.9 | 0 | 0 | 120.9 | ||||
| 66 | E | 36.6 | Very low | 37.2 | Very low | 134 Ų | 134 | 141 Ų | 141 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | cis | -163.9 | 160.3 | -31.1 | -165.4 | -178.8 | 176.5 | 0 | 0 | 110.1 | ||||
| 67 | F | 38 | Very low | 37.3 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | 71.2 | 153.6 | 169.6 | -48.4 | -81.4 | 0 | 0 | 0 | 119.5 | ||||
| 68 | Q | 34.9 | Very low | 37.2 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | -165.5 | 144.6 | -27.2 | -100.5 | -79.2 | -9.6 | 0 | 0 | 108.4 | ||||
| 69 | P | 35.4 | Very low | 37 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | -107.2 | 168.6 | 179.7 | 39.6 | -34.2 | 0 | 0 | 0 | 115.4 | ||||
| 70 | V | 39.5 | Very low | 36.7 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -141.1 | 141 | 173 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 71 | S | 32.2 | Very low | 36.7 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -139.1 | 131 | -179.8 | -56.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 72 | L | 39 | Very low | 36.3 | Very low | 154 Ų | 154 | 142 Ų | 142 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | -161 | 155.9 | 167.8 | -94.4 | 111.8 | 0 | 0 | 0 | 109 | ||||
| 73 | L | 37 | Very low | 36.3 | Very low | 139 Ų | 139 | 143 Ų | 143 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | cis | -170.9 | 141.8 | -24.2 | -178 | 64.7 | 0 | 0 | 0 | 108.5 | ||||
| 74 | T | 35.4 | Very low | 35.8 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | 24.6 | 133.9 | 151.6 | -47.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 75 | Q | 36.7 | Very low | 35.7 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | -173.6 | 154.8 | 77.7 | -164 | 154.4 | 86.1 | 0 | 0 | 114.7 | |||||
| 76 | E | 32.3 | Very low | 35.3 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -90.1 | 164.2 | 175.2 | -50.4 | -177 | 128.5 | 0 | 0 | 113.2 | ||||
| 77 | T | 37.1 | Very low | 35.3 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -165.8 | 145.6 | 140.4 | -79.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 78 | C | 31 | Very low | 35.1 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | -93.4 | 154.7 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 79 | G | 35.9 | Very low | 35.1 | Very low | 76 Ų | 76 | 140.4 Ų | 140.4 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -166.5 | 105.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 80 | H | 30.4 | Very low | 35.2 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -87.9 | 142.7 | 165.3 | -64.7 | -89 | 0 | 0 | 0 | 111.4 | ||||
| 81 | R | 34 | Very low | 34.6 | Very low | 245 Ų | 245 | 145.8 Ų | 145.8 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -174.8 | 146.6 | 138.1 | -106.4 | 170.5 | -147.1 | -100.9 | 5.1 | 113 | ||||
| 82 | T | 31.1 | Very low | 35.1 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -97.8 | 157.2 | 159.2 | 44.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 83 | P | 45.1 | Very low | 34.7 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -117.1 | 147.2 | 158.4 | 36.1 | -26.4 | 0 | 0 | 0 | 112.7 | ||||
| 84 | T | 29.3 | Very low | 34.8 | Very low | 137 Ų | 137 | 143 Ų | 143 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -141.9 | 123.4 | 170.1 | -62.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 85 | S | 35.4 | Very low | 34.8 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -160.3 | 109.3 | 168.5 | -170.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 86 | Q | 35 | Very low | 35 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | 57.7 | 108.3 | 83.6 | -67 | -168.3 | 37.7 | 0 | 0 | 114.7 | |||||
| 87 | H | 37.4 | Very low | 35.4 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -160.8 | 112.3 | 141.8 | -168.5 | -110.4 | 0 | 0 | 0 | 110.8 | ||||
| 88 | N | 33.5 | Very low | 35.4 | Very low | 124 Ų | 124 | 141 Ų | 141 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | 40.9 | 152.3 | 134.9 | -61.8 | -5.3 | 0 | 0 | 0 | 123.1 | ||||
| 89 | T | 33.6 | Very low | 35.7 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | cis | -171.2 | 169.4 | -15.4 | -79.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 90 | M | 37.9 | Very low | 35.8 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | 94.1 | 100 | 166.7 | -53.2 | -160.4 | 80.8 | 0 | 0 | 117.5 | ||||
| 91 | E | 28.2 | Very low | 36 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | trans | -75.4 | 143 | 151.5 | -54.4 | 169.2 | 119.3 | 0 | 0 | 109.4 | ||||
| 92 | V | 41.4 | Very low | 35.9 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -140.8 | 127.2 | 159.9 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 93 | D | 31.7 | Very low | 36.4 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | -74 | 147.1 | 179.5 | -152.1 | -42.5 | 0 | 0 | 0 | 111.9 | N95 | D93-N95 PolarHBondContact OD1-ND2 3.16Å; D93-N95 VanDerWaalsContact OD1-ND2 3.17Å | ||
| 94 | G | 39.2 | Very low | 36 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | -144.3 | 32.5 | -156.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 95 | N | 35 | Very low | 36.3 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | trans | -43.8 | 145.2 | 178.7 | -69.2 | -80.8 | 0 | 0 | 0 | 115.3 | D93 | D93-N95 PolarHBondContact OD1-ND2 3.16Å; D93-N95 VanDerWaalsContact OD1-ND2 3.17Å | ||
| 96 | K | 41.2 | Very low | 36.3 | Very low | 174 Ų | 174 | 134 Ų | 134 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | 145.4 | 134.2 | 96.8 | -144.6 | 164.8 | -172.3 | -69.3 | 0 | 114.5 | |||||
| 97 | V | 39.2 | Very low | 36.5 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | trans | 59 | 157.4 | 160.1 | -71.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 98 | M | 38.3 | Very low | 36.6 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | cis | -144.3 | 145.7 | 12 | -164.6 | 60.5 | 86.3 | 0 | 0 | 113 | ||||
| 99 | S | 37.6 | Very low | 36.5 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 56% | 0.559 | 74% | 0.739 | S | S | * | * | trans | 15.9 | 141.7 | 148.8 | -141.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 100 | S | 36.9 | Very low | 37.1 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | -165.2 | 134.7 | 50.2 | -83.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 101 | F | 35 | Very low | 37.1 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 80% | 0.803 | 74% | 0.738 | S | S | * | * | trans | 43.1 | 104.8 | 142 | -50.4 | -63.3 | 0 | 0 | 0 | 122.2 | ||||
| 102 | A | 32.7 | Very low | 37.4 | Very low | 87 Ų | 87 | 125.4 Ų | 125.4 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | -78.2 | 173.6 | 127.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 103 | P | 40.4 | Very low | 37.5 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 62% | 0.617 | 73% | 0.726 | S | S | * | * | -163.8 | 178.9 | 84.4 | 44.2 | -23.7 | 0 | 0 | 0 | 118.7 | |||||
| 104 | H | 37.4 | Very low | 37.8 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | 68.7 | 157.5 | 152.2 | -58.5 | -35.1 | 0 | 0 | 0 | 119.9 | ||||
| 105 | N | 36.2 | Very low | 37.7 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | cis | -159.3 | 176.9 | -23.5 | -105.8 | 4.2 | 0 | 0 | 0 | 110 | ||||
| 106 | S | 34.8 | Very low | 37.9 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -83.5 | 154.6 | -172.5 | -43.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 107 | S | 38.8 | Very low | 37.7 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | 91.4 | 135.3 | 139.6 | -150.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 108 | T | 39 | Very low | 37.5 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | 60.8 | 111.3 | 147.4 | -166.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 109 | S | 31.4 | Very low | 37.5 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | 18.3 | 159.8 | 122.2 | -71.4 | 0 | 0 | 0 | 0 | 123 | |||||
| 110 | P | 47.3 | Very low | 37.3 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | cis | -144.2 | -170.3 | -15.7 | 35.3 | -12.5 | 0 | 0 | 0 | 116.4 | ||||
| 111 | Q | 37.5 | Very low | 37.1 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 115.6 | 122.9 | 130.2 | -129.8 | -173.4 | -6.7 | 0 | 0 | 122.4 | ||||
| 112 | K | 35.1 | Very low | 37 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | trans | 69 | 127.5 | 142.5 | -99.4 | -175.5 | 171.4 | -125.7 | 0 | 124.9 | E114 | K112-E114 WeakPolarHBondContact CD-OE2 3.4Å; K112-E114 VanDerWaalsContact CE-OE2 3.27Å; K112-E114 WeakPolarHBondContact CE-OE2 3.26Å; K112-E114 IonicContact NZ-OE1 2.68Å; K112-E114 PolarHBondContact NZ-OE1 2.7Å; K112-E114 IonicContact NZ-OE2 2.73Å; K112-E114 PolarHBondContact NZ-OE2 3.32Å | ||
| 113 | A | 43.6 | Very low | 37 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -150.3 | 160.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 114 | E | 37.6 | Very low | 37 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | trans | -151.2 | 168.6 | -173.3 | -91.6 | 137.9 | 123.2 | 0 | 0 | 109.5 | K112 | K112-E114 WeakPolarHBondContact CD-OE2 3.4Å; K112-E114 VanDerWaalsContact CE-OE2 3.27Å; K112-E114 WeakPolarHBondContact CE-OE2 3.26Å; K112-E114 IonicContact NZ-OE1 2.68Å; K112-E114 PolarHBondContact NZ-OE1 2.7Å; K112-E114 IonicContact NZ-OE2 2.73Å; K112-E114 PolarHBondContact NZ-OE2 3.32Å | ||
| 115 | E | 37.5 | Very low | 36.8 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | cis | -152.1 | 166.2 | 13.6 | -142.8 | -66.6 | 90.7 | 0 | 0 | 110.2 | ||||
| 116 | G | 38.8 | Very low | 36.9 | Very low | 59 Ų | 59 | 129.6 Ų | 129.6 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | trans | 102 | 154.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 117 | G | 35.7 | Very low | 37 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | 172.4 | 102.7 | -7.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 118 | R | 36.8 | Very low | 37 | Very low | 228 Ų | 228 | 130.9 Ų | 130.9 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 63.6 | 114.3 | 156.3 | -60.4 | -177.7 | -176.4 | -126.6 | 1.1 | 121.6 | ||||
| 119 | Q | 37.7 | Very low | 36.9 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 75.6 | 133.7 | 135.5 | -59.1 | 176.2 | 121.9 | 0 | 0 | 122.3 | ||||
| 120 | S | 33.8 | Very low | 37.1 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 73.4 | 121.1 | 148.9 | -165.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 121 | G | 32.1 | Very low | 36.8 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | 130.4 | 125.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 122 | E | 33.5 | Very low | 37.1 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | 59.1 | 80.3 | 132.8 | -53.7 | -167.9 | 113.9 | 0 | 0 | 121.9 | ||||
| 123 | S | 32.8 | Very low | 37.4 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | 31.2 | 100.1 | 121.1 | 180 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 124 | L | 38.9 | Very low | 37.4 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -146.6 | 159 | 149.7 | -67.3 | 175.4 | 0 | 0 | 0 | 109 | ||||
| 125 | S | 34.9 | Very low | 37.7 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | cis | -175.5 | 112.5 | -33.6 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 126 | S | 36.9 | Very low | 38.1 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -170.9 | 121.8 | 169.1 | -80.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 127 | T | 36.6 | Very low | 39 | Very low | 147 Ų | 147 | 143 Ų | 143 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -130.2 | 131 | -174.6 | 38.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 128 | A | 38.5 | Very low | 40.9 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -149.6 | 118.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 129 | L | 38.7 | Very low | 42.5 | Very low | 183 Ų | 183 | 137 Ų | 137 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | trans | -60.7 | 152.4 | 174.5 | -47.6 | 163.5 | 0 | 0 | 0 | 111.1 | ||||
| 130 | G | 34.5 | Very low | 44.3 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | cis | 146.1 | 101 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 131 | T | 41 | Very low | 46.7 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | trans | -139.9 | 144.4 | 172.7 | 29.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 132 | P | 44.9 | Very low | 49.2 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | -81.9 | 127.8 | -168.5 | 30.8 | -34.6 | 0 | 0 | 0 | 113.8 | R134 | P132-R134 PolarHBondContact O-N 3.37Š| ||
| 133 | E | 40 | Very low | 51.6 | Low | 174 Ų | 174 | 122.6 Ų | 122.6 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | -44.9 | 111.8 | 174.8 | -170.3 | -172.8 | 149.4 | 0 | 0 | 113.6 | R135 | E133-R135 PolarHBondContact O-N 2.9Å; E133-R135 VanDerWaalsContact O-N 3.08Å | ||
| 134 | R | 44.2 | Very low | 53.9 | Low | 196 Ų | 196 | 120.8 Ų | 120.8 | 74% | 0.74 | 69% | 0.692 | S | S | * | * | trans | -74.9 | 97.9 | 173.1 | -105.3 | -171.5 | 173.5 | -177 | 3.5 | 110.2 | P132 K136 | P132-R134 PolarHBondContact O-N 3.37Å; R134-K136 PolarHBondContact O-N 3.4Å | ||
| 135 | R | 43.8 | Very low | 56 | Low | 217 Ų | 217 | 116.6 Ų | 116.6 | 82% | 0.819 | 67% | 0.673 | S | S | * | * | trans | -50.1 | 135.8 | 171 | -58.2 | -179 | -177.7 | 105.2 | 4.3 | 111 | E133 | E133-R135 PolarHBondContact O-N 2.9Å; E133-R135 VanDerWaalsContact O-N 3.08Å | ||
| 136 | K | 46.7 | Very low | 58.3 | Low | 212 Ų | 212 | 117 Ų | 117 | 92% | 0.922 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -52.4 | 138.4 | 169.4 | -70.1 | -178 | 175.5 | -179.2 | 0 | 110.2 | R134 | R134-K136 PolarHBondContact O-N 3.4Š|
| 137 | G | 58 | Low | 60.4 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 58% | 0.577 | 65% | 0.651 | S | S | * | * | trans | 102.7 | 38.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D141 | G137-D141 PolarHBondContact N-OD2 3.43Š| ||
| 138 | S | 73.7 | Confident | 62.5 | Low | 41 Ų | 41 | 113.7 Ų | 113.7 | 29% | 0.287 | 63% | 0.625 | S | S | . | * | trans | -63.3 | 149.2 | 163.7 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | A140 D141 V142 | S138-A140 PolarHBondContact O-N 3Å; S138-A140 VanDerWaalsContact O-N 3.13Å; S138-A140 PolarHBondContact OG-N 3.22Å; S138-D141 WeakPolarHBondContact CB-OD1 3.39Å; S138-D141 WeakPolarHBondContact CB-OD2 3.29Å; S138-D141 PolarHBondContact N-OD2 3.26Å; S138-D141 WeakPolarHBondContact O-CB 3.37Å; S138-D141 PolarHBondContact O-N 3.33Å; S138-V142 PolarHBondContact O-N 2.89Å; S138-V142 VanDerWaalsContact O-N 3.08Å | ||
| 139 | L | 72.1 | Confident | 64.5 | Low | 134 Ų | 134 | 116.4 Ų | 116.4 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.2 | -26.9 | 175.7 | -177.6 | 61.7 | 0 | 0 | 0 | 112.2 | V143 | L139-V143 HydrophobicContact CD1-CG2 4.18Å; L139-V143 HydrophobicContact CG-CG2 4.37Å; L139-V143 VanDerWaalsContact O-CB 3.3Å; L139-V143 WeakPolarHBondContact O-CB 3.35Å; L139-V143 VanDerWaalsContact O-CG2 3.22Å; L139-V143 WeakPolarHBondContact O-CG2 3.5Å; L139-V143 PolarHBondContact O-N 3.31Å |
| 140 | A | 75.8 | Confident | 66.6 | Low | 51 Ų | 51 | 113.7 Ų | 113.7 | 42% | 0.421 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.2 | -54.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S138 V142 V143 D144 | S138-A140 PolarHBondContact O-N 3Å; S138-A140 VanDerWaalsContact O-N 3.13Å; S138-A140 PolarHBondContact OG-N 3.22Å; A140-V142 VanDerWaalsContact C-N 3.26Å; A140-V142 PolarHBondContact O-N 2.61Å; A140-V143 PolarHBondContact O-N 3.1Å; A140-V143 VanDerWaalsContact O-N 3.11Å; A140-D144 PolarHBondContact O-N 2.98Å |
| 141 | D | 82.6 | Confident | 68.7 | Low | 69 Ų | 69 | 112.9 Ų | 112.9 | 37% | 0.369 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -53.2 | -44.5 | 177.6 | -36.2 | -18.8 | 0 | 0 | 0 | 111.1 | G137 S138 T145 | G137-D141 PolarHBondContact N-OD2 3.43Å; S138-D141 WeakPolarHBondContact CB-OD1 3.39Å; S138-D141 WeakPolarHBondContact CB-OD2 3.29Å; S138-D141 PolarHBondContact N-OD2 3.26Å; S138-D141 WeakPolarHBondContact O-CB 3.37Å; S138-D141 PolarHBondContact O-N 3.33Å; D141-T145 WeakPolarHBondContact O-CB 3.39Å; D141-T145 PolarHBondContact O-N 3.36Å; D141-T145 PolarHBondContact O-OG1 3.02Å |
| 142 | V | 84.4 | Confident | 70.4 | Confident | 80 Ų | 80 | 110.9 Ų | 110.9 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -44.8 | 179.1 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | S138 A140 L146 | S138-V142 PolarHBondContact O-N 2.89Å; S138-V142 VanDerWaalsContact O-N 3.08Å; A140-V142 VanDerWaalsContact C-N 3.26Å; A140-V142 PolarHBondContact O-N 2.61Å; V142-L146 VanDerWaalsContact O-CB 3.23Å; V142-L146 WeakPolarHBondContact O-CB 3.42Å; V142-L146 PolarHBondContact O-N 3.33Å |
| 143 | V | 85.2 | Confident | 71.8 | Confident | 60 Ų | 60 | 110 Ų | 110 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 178.8 | 163.5 | 0 | 0 | 0 | 0 | 111.7 | L139 A140 L146 K147 | L139-V143 HydrophobicContact CD1-CG2 4.18Å; L139-V143 HydrophobicContact CG-CG2 4.37Å; L139-V143 VanDerWaalsContact O-CB 3.3Å; L139-V143 WeakPolarHBondContact O-CB 3.35Å; L139-V143 VanDerWaalsContact O-CG2 3.22Å; L139-V143 WeakPolarHBondContact O-CG2 3.5Å; L139-V143 PolarHBondContact O-N 3.31Å; A140-V143 PolarHBondContact O-N 3.1Å; A140-V143 VanDerWaalsContact O-N 3.11Å; V143-L146 PolarHBondContact O-N 2.92Å; V143-K147 HydrophobicContact CG1-CD 4.46Å; V143-K147 VanDerWaalsContact O-CG 3.31Å; V143-K147 WeakPolarHBondContact O-CG 3.31Å; V143-K147 PolarHBondContact O-N 2.88Å |
| 144 | D | 80.8 | Confident | 73.3 | Confident | 81 Ų | 81 | 107.2 Ų | 107.2 | 43% | 0.433 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -77.5 | -34.4 | 179.7 | -68.6 | -24.4 | 0 | 0 | 0 | 111.6 | A140 L146 K147 Q148 | A140-D144 PolarHBondContact O-N 2.98Å; D144-L146 VanDerWaalsContact C-N 3.32Å; D144-L146 PolarHBondContact O-N 2.9Å; D144-K147 PolarHBondContact O-N 3.33Å; D144-K147 IonicContact OD1-NZ 2.67Å; D144-K147 PolarHBondContact OD1-NZ 2.8Å; D144-Q148 VanDerWaalsContact O-CB 3.27Å; D144-Q148 WeakPolarHBondContact O-CB 3.24Å; D144-Q148 PolarHBondContact O-N 3.4Å |
| 145 | T | 83.3 | Confident | 74.5 | Confident | 81 Ų | 81 | 101.5 Ų | 101.5 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 167.7 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | D141 Q148 R149 | D141-T145 WeakPolarHBondContact O-CB 3.39Å; D141-T145 PolarHBondContact O-N 3.36Å; D141-T145 PolarHBondContact O-OG1 3.02Å; T145-Q148 PolarHBondContact O-N 2.82Å; T145-R149 WeakPolarHBondContact O-CB 3.12Å; T145-R149 PolarHBondContact O-N 3.23Å |
| 146 | L | 82 | Confident | 75.6 | Confident | 111 Ų | 111 | 99 Ų | 99 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.7 | -38 | 177.2 | -177.7 | 61.6 | 0 | 0 | 0 | 112.1 | V142 V143 D144 K150 | V142-L146 VanDerWaalsContact O-CB 3.23Å; V142-L146 WeakPolarHBondContact O-CB 3.42Å; V142-L146 PolarHBondContact O-N 3.33Å; V143-L146 PolarHBondContact O-N 2.92Å; D144-L146 VanDerWaalsContact C-N 3.32Å; D144-L146 PolarHBondContact O-N 2.9Å; L146-K150 VanDerWaalsContact O-CB 3.26Å; L146-K150 WeakPolarHBondContact O-CB 3.41Å; L146-K150 PolarHBondContact O-N 3.41Å |
| 147 | K | 82.6 | Confident | 76.1 | Confident | 122 Ų | 122 | 94.7 Ų | 94.7 | 53% | 0.53 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 170.1 | -72.3 | 168.9 | -164 | 157.1 | 0 | 111.3 | V143 D144 K150 M151 | V143-K147 HydrophobicContact CG1-CD 4.46Å; V143-K147 VanDerWaalsContact O-CG 3.31Å; V143-K147 WeakPolarHBondContact O-CG 3.31Å; V143-K147 PolarHBondContact O-N 2.88Å; D144-K147 PolarHBondContact O-N 3.33Å; D144-K147 IonicContact OD1-NZ 2.67Å; D144-K147 PolarHBondContact OD1-NZ 2.8Å; K147-K150 PolarHBondContact O-N 3.13Å; K147-M151 WeakPolarHBondContact O-CB 3.29Å; K147-M151 PolarHBondContact O-N 3.4Å |
| 148 | Q | 80.8 | Confident | 75.7 | Confident | 80 Ų | 80 | 97 Ų | 97 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.2 | -53.5 | 178.1 | -178.6 | 61.1 | 29.8 | 0 | 0 | 110.1 | D144 T145 K150 M151 E152 | D144-Q148 VanDerWaalsContact O-CB 3.27Å; D144-Q148 WeakPolarHBondContact O-CB 3.24Å; D144-Q148 PolarHBondContact O-N 3.4Å; T145-Q148 PolarHBondContact O-N 2.82Å; Q148-K150 VanDerWaalsContact C-N 3.32Å; Q148-K150 PolarHBondContact O-N 2.82Å; Q148-M151 WeakPolarHBondContact O-CA 3.41Å; Q148-M151 WeakPolarHBondContact O-CB 3.49Å; Q148-M151 PolarHBondContact O-N 3.15Å; Q148-E152 VanDerWaalsContact CG-OE1 3.31Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.47Å; Q148-E152 PolarHBondContact NE2-OE1 3.37Å; Q148-E152 WeakPolarHBondContact O-CG 3.31Å; Q148-E152 PolarHBondContact O-N 3.48Å |
| 149 | R | 80.2 | Confident | 74.7 | Confident | 162 Ų | 162 | 98.6 Ų | 98.6 | 61% | 0.611 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.4 | -40 | 176.8 | -169.9 | -174.3 | -64.5 | 176.4 | -1 | 112.6 | T145 M151 E152 E153 | T145-R149 WeakPolarHBondContact O-CB 3.12Å; T145-R149 PolarHBondContact O-N 3.23Å; R149-M151 VanDerWaalsContact C-N 3.32Å; R149-M151 PolarHBondContact O-N 2.84Å; R149-E152 PolarHBondContact O-N 3.06Å; R149-E153 WeakPolarHBondContact O-CB 3.39Å; R149-E153 PolarHBondContact O-N 3.39Å |
| 150 | K | 82.9 | Confident | 73.4 | Confident | 127 Ų | 127 | 100.2 Ų | 100.2 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.1 | -27.8 | 176.8 | -176.4 | 158.2 | -176.3 | 155.6 | 0 | 112.9 | L146 K147 Q148 L154 | L146-K150 VanDerWaalsContact O-CB 3.26Å; L146-K150 WeakPolarHBondContact O-CB 3.41Å; L146-K150 PolarHBondContact O-N 3.41Å; K147-K150 PolarHBondContact O-N 3.13Å; Q148-K150 VanDerWaalsContact C-N 3.32Å; Q148-K150 PolarHBondContact O-N 2.82Å; K150-L154 HydrophobicContact CG-CD1 4.36Å; K150-L154 WeakPolarHBondContact O-CB 3.27Å; K150-L154 WeakPolarHBondContact O-CD1 3.28Å; K150-L154 VanDerWaalsContact O-CG 3.27Å; K150-L154 WeakPolarHBondContact O-CG 3.32Å; K150-L154 PolarHBondContact O-N 2.9Å |
| 151 | M | 77.2 | Confident | 72.1 | Confident | 54 Ų | 54 | 104.4 Ų | 104.4 | 27% | 0.266 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.7 | -46.3 | 171.9 | -172.8 | 175.4 | -66.7 | 0 | 0 | 110.5 | K147 Q148 R149 E153 L154 I155 Y606 | K147-M151 WeakPolarHBondContact O-CB 3.29Å; K147-M151 PolarHBondContact O-N 3.4Å; Q148-M151 WeakPolarHBondContact O-CA 3.41Å; Q148-M151 WeakPolarHBondContact O-CB 3.49Å; Q148-M151 PolarHBondContact O-N 3.15Å; R149-M151 VanDerWaalsContact C-N 3.32Å; R149-M151 PolarHBondContact O-N 2.84Å; M151-E153 VanDerWaalsContact C-N 3.32Å; M151-E153 PolarHBondContact O-N 2.91Å; M151-L154 PolarHBondContact O-N 3.43Å; M151-I155 HydrophobicContact CG-CD1 3.99Å; M151-I155 WeakPolarHBondContact O-CD1 3.49Å; M151-I155 VanDerWaalsContact O-CG1 3.26Å; M151-I155 WeakPolarHBondContact O-CG1 3.28Å; M151-I155 PolarHBondContact O-N 3.38Å; M151-Y606 HydrophobicContact CE-CD1 3.87Å; M151-Y606 HydrophobicContact CE-CE1 3.95Å; M151-Y606 HydrophobicContact SD-CD1 3.72Å; M151-Y606 HydrophobicContact SD-CE1 4.25Å; M151-Y606 HydrophobicContact SD-CG 4Å |
| 152 | E | 77.4 | Confident | 70.7 | Confident | 99 Ų | 99 | 104.9 Ų | 104.9 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -41.7 | 172.9 | -69.2 | 162.8 | 176.7 | 0 | 0 | 111.8 | Q148 R149 I155 K156 | Q148-E152 VanDerWaalsContact CG-OE1 3.31Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.47Å; Q148-E152 PolarHBondContact NE2-OE1 3.37Å; Q148-E152 WeakPolarHBondContact O-CG 3.31Å; Q148-E152 PolarHBondContact O-N 3.48Å; R149-E152 PolarHBondContact O-N 3.06Å; E152-I155 PolarHBondContact O-N 2.92Å; E152-K156 WeakPolarHBondContact O-CB 3.36Å; E152-K156 PolarHBondContact O-N 3Å |
| 153 | E | 74.5 | Confident | 69.3 | Low | 102 Ų | 102 | 103 Ų | 103 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.9 | -177.9 | 178.6 | -159.9 | 0 | 0 | 112.2 | R149 M151 I155 K156 N157 | R149-E153 WeakPolarHBondContact O-CB 3.39Å; R149-E153 PolarHBondContact O-N 3.39Å; M151-E153 VanDerWaalsContact C-N 3.32Å; M151-E153 PolarHBondContact O-N 2.91Å; E153-I155 VanDerWaalsContact C-N 3.3Å; E153-I155 PolarHBondContact O-N 2.93Å; E153-K156 PolarHBondContact O-N 3.25Å; E153-N157 WeakPolarHBondContact CG-ND2 3.42Å; E153-N157 WeakPolarHBondContact O-CB 3.43Å; E153-N157 PolarHBondContact O-N 3.41Å; E153-N157 PolarHBondContact O-ND2 2.8Å |
| 154 | L | 71.4 | Confident | 67.6 | Low | 117 Ų | 117 | 103.7 Ų | 103.7 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.9 | -28.2 | 174.3 | -79.9 | 166.3 | 0 | 0 | 0 | 113.3 | K150 M151 | K150-L154 HydrophobicContact CG-CD1 4.36Å; K150-L154 WeakPolarHBondContact O-CB 3.27Å; K150-L154 WeakPolarHBondContact O-CD1 3.28Å; K150-L154 VanDerWaalsContact O-CG 3.27Å; K150-L154 WeakPolarHBondContact O-CG 3.32Å; K150-L154 PolarHBondContact O-N 2.9Å; M151-L154 PolarHBondContact O-N 3.43Å |
| 155 | I | 69 | Low | 66.7 | Low | 76 Ų | 76 | 104.3 Ų | 104.3 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -79.5 | -40 | 175 | -67.3 | 159.4 | 0 | 0 | 0 | 110.6 | M151 E152 E153 | M151-I155 HydrophobicContact CG-CD1 3.99Å; M151-I155 WeakPolarHBondContact O-CD1 3.49Å; M151-I155 VanDerWaalsContact O-CG1 3.26Å; M151-I155 WeakPolarHBondContact O-CG1 3.28Å; M151-I155 PolarHBondContact O-N 3.38Å; E152-I155 PolarHBondContact O-N 2.92Å; E153-I155 VanDerWaalsContact C-N 3.3Å; E153-I155 PolarHBondContact O-N 2.93Å |
| 156 | K | 67.9 | Low | 65.6 | Low | 165 Ų | 165 | 106.9 Ų | 106.9 | 72% | 0.717 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -83.7 | -17.1 | -175 | -171.1 | 165.1 | -176.3 | 170.7 | 0 | 114.6 | E152 E153 | E152-K156 WeakPolarHBondContact O-CB 3.36Å; E152-K156 PolarHBondContact O-N 3Å; E153-K156 PolarHBondContact O-N 3.25Å |
| 157 | N | 55.6 | Low | 64.7 | Low | 121 Ų | 121 | 108.6 Ų | 108.6 | 65% | 0.647 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 3.7 | 175.6 | -64.3 | -12.2 | 0 | 0 | 0 | 113.2 | E153 | E153-N157 WeakPolarHBondContact CG-ND2 3.42Å; E153-N157 WeakPolarHBondContact O-CB 3.43Å; E153-N157 PolarHBondContact O-N 3.41Å; E153-N157 PolarHBondContact O-ND2 2.8Å |
| 158 | E | 51.3 | Low | 63.7 | Low | 104 Ų | 104 | 108.5 Ų | 108.5 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -71.9 | 141.1 | 154 | -92.8 | -114.9 | 81.7 | 0 | 0 | 109 | E160 | E158-E160 PolarHBondContact O-N 3.18Š|
| 159 | P | 51.1 | Low | 62.6 | Low | 75 Ų | 75 | 109.8 Ų | 109.8 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | trans | -67.7 | 108 | 177.2 | 27.5 | -33.1 | 0 | 0 | 0 | 110.6 | E161 | P159-E161 PolarHBondContact O-N 3.11Š| ||
| 160 | E | 45.7 | Very low | 61.8 | Low | 167 Ų | 167 | 104.8 Ų | 104.8 | 78% | 0.78 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 8 | -174.1 | -155.5 | 171.5 | -160.4 | 0 | 0 | 114.4 | E158 P163 | E158-E160 PolarHBondContact O-N 3.18Å; E160-P163 WeakPolarHBondContact O-CD 3.43Å |
| 161 | E | 49.2 | Very low | 61.2 | Low | 139 Ų | 139 | 105.3 Ų | 105.3 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -28 | -179 | -57.1 | -173.8 | 148.9 | 0 | 0 | 112.8 | P159 S164 I165 | P159-E161 PolarHBondContact O-N 3.11Å; E161-S164 WeakPolarHBondContact O-CB 3.35Å; E161-S164 PolarHBondContact O-N 2.79Å; E161-S164 VanDerWaalsContact O-N 3.14Å; E161-I165 HydrophobicContact CB-CD1 4.23Å; E161-I165 WeakPolarHBondContact O-CG1 3.48Å; E161-I165 PolarHBondContact O-N 3.43Å |
| 162 | T | 53.5 | Low | 61 | Low | 79 Ų | 79 | 107.4 Ų | 107.4 | 49% | 0.485 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | -177.5 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | S164 I165 E166 | T162-S164 PolarHBondContact O-N 2.82Å; T162-I165 PolarHBondContact O-N 2.9Å; T162-E166 PolarHBondContact O-N 2.96Å |
| 163 | P | 54.5 | Low | 60.8 | Low | 42 Ų | 42 | 109.2 Ų | 109.2 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.8 | -2 | 179.4 | 34.8 | -40.4 | 0 | 0 | 0 | 113.7 | E160 K167 | E160-P163 WeakPolarHBondContact O-CD 3.43Å; P163-K167 WeakPolarHBondContact O-CD 3.47Å; P163-K167 VanDerWaalsContact O-CE 3.22Å; P163-K167 WeakPolarHBondContact O-CE 3.44Å; P163-K167 VanDerWaalsContact O-CG 3.31Å; P163-K167 WeakPolarHBondContact O-CG 3.48Å; P163-K167 PolarHBondContact O-NZ 3.33Å |
| 164 | S | 47.9 | Very low | 60.5 | Low | 74 Ų | 74 | 109.5 Ų | 109.5 | 52% | 0.517 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -93.8 | -49.4 | 170.7 | -165 | 0 | 0 | 0 | 0 | 110 | E161 T162 E166 K167 L168 | E161-S164 WeakPolarHBondContact O-CB 3.35Å; E161-S164 PolarHBondContact O-N 2.79Å; E161-S164 VanDerWaalsContact O-N 3.14Å; T162-S164 PolarHBondContact O-N 2.82Å; S164-E166 PolarHBondContact O-N 3.36Å; S164-K167 PolarHBondContact O-N 3.22Å; S164-K167 VanDerWaalsContact O-N 3.11Å; S164-L168 PolarHBondContact O-N 3.03Å |
| 165 | I | 63.3 | Low | 60.6 | Low | 93 Ų | 93 | 108.3 Ų | 108.3 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 177.7 | -68.9 | 169 | 0 | 0 | 0 | 111.4 | E161 T162 K167 L168 L169 | E161-I165 HydrophobicContact CB-CD1 4.23Å; E161-I165 WeakPolarHBondContact O-CG1 3.48Å; E161-I165 PolarHBondContact O-N 3.43Å; T162-I165 PolarHBondContact O-N 2.9Å; I165-K167 VanDerWaalsContact C-N 3.29Å; I165-K167 PolarHBondContact O-N 2.83Å; I165-L168 PolarHBondContact O-N 3.01Å; I165-L169 HydrophobicContact CG2-CD1 3.67Å; I165-L169 HydrophobicContact CG2-CG 4.25Å; I165-L169 WeakPolarHBondContact O-CB 3.28Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.41Å; I165-L169 PolarHBondContact O-N 2.89Å |
| 166 | E | 59.9 | Low | 60.8 | Low | 136 Ų | 136 | 111.3 Ų | 111.3 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.5 | -36.4 | 176.4 | -77.5 | -164.7 | 140.4 | 0 | 0 | 112.9 | T162 S164 S170 | T162-E166 PolarHBondContact O-N 2.96Å; S164-E166 PolarHBondContact O-N 3.36Å; E166-S170 WeakPolarHBondContact O-CB 3.44Å; E166-S170 PolarHBondContact O-N 3.44Å; E166-S170 PolarHBondContact O-OG 2.85Å |
| 167 | K | 63.2 | Low | 60.9 | Low | 146 Ų | 146 | 108 Ų | 108 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.6 | -35.3 | 179.9 | -69.8 | 177.5 | -166.8 | 131.6 | 0 | 112.5 | P163 S164 I165 K171 | P163-K167 WeakPolarHBondContact O-CD 3.47Å; P163-K167 VanDerWaalsContact O-CE 3.22Å; P163-K167 WeakPolarHBondContact O-CE 3.44Å; P163-K167 VanDerWaalsContact O-CG 3.31Å; P163-K167 WeakPolarHBondContact O-CG 3.48Å; P163-K167 PolarHBondContact O-NZ 3.33Å; S164-K167 PolarHBondContact O-N 3.22Å; S164-K167 VanDerWaalsContact O-N 3.11Å; I165-K167 VanDerWaalsContact C-N 3.29Å; I165-K167 PolarHBondContact O-N 2.83Å; K167-K171 PolarHBondContact O-N 3.38Å |
| 168 | L | 60.6 | Low | 61.4 | Low | 120 Ų | 120 | 108.1 Ų | 108.1 | 63% | 0.628 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.1 | -53.7 | 175.1 | -140.7 | 73.7 | 0 | 0 | 0 | 109.8 | S164 I165 K171 D172 | S164-L168 PolarHBondContact O-N 3.03Å; I165-L168 PolarHBondContact O-N 3.01Å; L168-K171 PolarHBondContact O-N 2.98Å; L168-D172 PolarHBondContact O-N 2.81Å |
| 169 | L | 58.8 | Low | 62.3 | Low | 107 Ų | 107 | 106.6 Ų | 106.6 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.1 | -54 | 177.9 | -68 | 173.6 | 0 | 0 | 0 | 111.4 | I165 K171 D172 W173 | I165-L169 HydrophobicContact CG2-CD1 3.67Å; I165-L169 HydrophobicContact CG2-CG 4.25Å; I165-L169 WeakPolarHBondContact O-CB 3.28Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.41Å; I165-L169 PolarHBondContact O-N 2.89Å; L169-K171 PolarHBondContact O-N 3.19Å; L169-D172 PolarHBondContact O-N 3.47Å; L169-W173 PolarHBondContact O-N 3.33Å; L169-W173 VanDerWaalsContact O-N 3.15Å |
| 170 | S | 63.5 | Low | 62.8 | Low | 57 Ų | 57 | 108.7 Ų | 108.7 | 40% | 0.399 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -15.3 | -173 | -62.9 | 0 | 0 | 0 | 0 | 114.9 | E166 K174 | E166-S170 WeakPolarHBondContact O-CB 3.44Å; E166-S170 PolarHBondContact O-N 3.44Å; E166-S170 PolarHBondContact O-OG 2.85Å; S170-K174 WeakPolarHBondContact O-CD 3.46Å; S170-K174 WeakPolarHBondContact O-CG 3.41Å |
| 171 | K | 69.6 | Low | 63.2 | Low | 138 Ų | 138 | 103.9 Ų | 103.9 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -92.6 | -55.6 | 175.9 | -166.7 | 159.8 | -174.3 | 177.4 | 0 | 111.3 | K167 L168 L169 W173 K174 D175 | K167-K171 PolarHBondContact O-N 3.38Å; L168-K171 PolarHBondContact O-N 2.98Å; L169-K171 PolarHBondContact O-N 3.19Å; K171-W173 PolarHBondContact O-N 3.4Å; K171-K174 PolarHBondContact O-N 2.97Å; K171-D175 PolarHBondContact O-N 3.29Å |
| 172 | D | 72.2 | Confident | 63.5 | Low | 98 Ų | 98 | 102.2 Ų | 102.2 | 52% | 0.524 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64 | -37 | -174.6 | -73 | -18.9 | 0 | 0 | 0 | 112.9 | L168 L169 K176 | L168-D172 PolarHBondContact O-N 2.81Å; L169-D172 PolarHBondContact O-N 3.47Å; D172-K176 VanDerWaalsContact O-CB 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.28Å; D172-K176 WeakPolarHBondContact O-CD 3.35Å; D172-K176 WeakPolarHBondContact O-CG 3.43Å; D172-K176 PolarHBondContact O-N 3.02Å; D172-K176 VanDerWaalsContact O-N 3.09Å |
| 173 | W | 74.4 | Confident | 63 | Low | 137 Ų | 137 | 100.9 Ų | 100.9 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74 | -33 | 178 | 79.1 | -113.6 | 0 | 0 | 0 | 113 | L169 K171 L177 | L169-W173 PolarHBondContact O-N 3.33Å; L169-W173 VanDerWaalsContact O-N 3.15Å; K171-W173 PolarHBondContact O-N 3.4Å; W173-L177 HydrophobicContact CE3-CB 4.5Å; W173-L177 HydrophobicContact CE3-CD2 4.27Å; W173-L177 HydrophobicContact CZ3-CD2 3.89Å; W173-L177 VanDerWaalsContact O-CB 3.25Å; W173-L177 WeakPolarHBondContact O-CB 3.42Å; W173-L177 PolarHBondContact O-N 3.32Å |
| 174 | K | 67.9 | Low | 62.6 | Low | 109 Ų | 109 | 106.6 Ų | 106.6 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.5 | -47 | 177.8 | -76.7 | -171.3 | 177.7 | -179 | 0 | 111.7 | S170 K171 K176 L177 L178 | S170-K174 WeakPolarHBondContact O-CD 3.46Å; S170-K174 WeakPolarHBondContact O-CG 3.41Å; K171-K174 PolarHBondContact O-N 2.97Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 2.77Å; K174-L177 PolarHBondContact O-N 3Å; K174-L178 WeakPolarHBondContact O-CG 3.31Å; K174-L178 PolarHBondContact O-N 3.43Å |
| 175 | D | 74.5 | Confident | 62.5 | Low | 91 Ų | 91 | 112.9 Ų | 112.9 | 49% | 0.487 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.6 | -36.3 | 178.5 | -67.8 | -21.7 | 0 | 0 | 0 | 110.5 | K171 A179 | K171-D175 PolarHBondContact O-N 3.29Å; D175-A179 VanDerWaalsContact O-CB 3.32Å; D175-A179 WeakPolarHBondContact O-CB 3.21Å; D175-A179 PolarHBondContact O-N 3.48Å |
| 176 | K | 71.2 | Confident | 61.7 | Low | 139 Ų | 139 | 110.9 Ų | 110.9 | 60% | 0.604 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.3 | -43.5 | 169.6 | -77.2 | 170.8 | 179.4 | -70.4 | 0 | 113.4 | D172 K174 A179 M180 | D172-K176 VanDerWaalsContact O-CB 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.28Å; D172-K176 WeakPolarHBondContact O-CD 3.35Å; D172-K176 WeakPolarHBondContact O-CG 3.43Å; D172-K176 PolarHBondContact O-N 3.02Å; D172-K176 VanDerWaalsContact O-N 3.09Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 2.77Å; K176-A179 PolarHBondContact O-N 3.07Å; K176-M180 WeakPolarHBondContact O-CG 3.5Å; K176-M180 PolarHBondContact O-N 2.9Å |
| 177 | L | 70 | Confident | 60.8 | Low | 96 Ų | 96 | 113.7 Ų | 113.7 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.8 | -41.6 | -178.6 | -175.6 | 63.7 | 0 | 0 | 0 | 111.7 | W173 K174 A179 M180 G181 | W173-L177 HydrophobicContact CE3-CB 4.5Å; W173-L177 HydrophobicContact CE3-CD2 4.27Å; W173-L177 HydrophobicContact CZ3-CD2 3.89Å; W173-L177 VanDerWaalsContact O-CB 3.25Å; W173-L177 WeakPolarHBondContact O-CB 3.42Å; W173-L177 PolarHBondContact O-N 3.32Å; K174-L177 PolarHBondContact O-N 3Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-M180 HydrophobicContact CD1-CE 4.25Å; L177-M180 PolarHBondContact O-N 3.42Å; L177-G181 PolarHBondContact O-N 3.5Å |
| 178 | L | 67.8 | Low | 60.3 | Low | 123 Ų | 123 | 114.7 Ų | 114.7 | 64% | 0.644 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.3 | -37.2 | 174.8 | -68.5 | 169.4 | 0 | 0 | 0 | 112 | K174 G181 S182 | K174-L178 WeakPolarHBondContact O-CG 3.31Å; K174-L178 PolarHBondContact O-N 3.43Å; L178-G181 PolarHBondContact O-N 3.38Å; L178-S182 PolarHBondContact O-OG 3.26Å |
| 179 | A | 69.1 | Low | 59.6 | Low | 72 Ų | 72 | 118.7 Ų | 118.7 | 60% | 0.595 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66 | -41.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D175 K176 L177 | D175-A179 VanDerWaalsContact O-CB 3.32Å; D175-A179 WeakPolarHBondContact O-CB 3.21Å; D175-A179 PolarHBondContact O-N 3.48Å; K176-A179 PolarHBondContact O-N 3.07Å; L177-A179 VanDerWaalsContact C-N 3.34Å |
| 180 | M | 62.5 | Low | 59.4 | Low | 119 Ų | 119 | 116.2 Ų | 116.2 | 59% | 0.586 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.6 | -30.4 | 176.5 | -70.7 | -175.5 | -57.9 | 0 | 0 | 113.1 | K176 L177 S182 | K176-M180 WeakPolarHBondContact O-CG 3.5Å; K176-M180 PolarHBondContact O-N 2.9Å; L177-M180 HydrophobicContact CD1-CE 4.25Å; L177-M180 PolarHBondContact O-N 3.42Å; M180-S182 PolarHBondContact O-N 2.95Å; M180-S182 VanDerWaalsContact O-N 3.14Å |
| 181 | G | 54.4 | Low | 59 | Low | 66 Ų | 66 | 117.5 Ų | 117.5 | 68% | 0.68 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -2.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L177 L178 | L177-G181 PolarHBondContact O-N 3.5Å; L178-G181 PolarHBondContact O-N 3.38Å |
| 182 | S | 55.5 | Low | 58.7 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 73% | 0.734 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 5.2 | -166.8 | -57 | 0 | 0 | 0 | 0 | 115.2 | L178 M180 | L178-S182 PolarHBondContact O-OG 3.26Å; M180-S182 PolarHBondContact O-N 2.95Å; M180-S182 VanDerWaalsContact O-N 3.14Å |
| 183 | G | 41.2 | Very low | 58.3 | Low | 50 Ų | 50 | 119.1 Ų | 119.1 | 52% | 0.515 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -177.5 | 148.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 184 | N | 46.6 | Very low | 58.4 | Low | 163 Ų | 163 | 115.1 Ų | 115.1 | 87% | 0.872 | 65% | 0.652 | S | S | * | * | trans | 56.7 | 60.3 | 167.6 | -71.1 | 35.9 | 0 | 0 | 0 | 118.1 | G186 | N184-G186 PolarHBondContact O-N 2.92Š| ||
| 185 | F | 46.7 | Very low | 59 | Low | 206 Ų | 206 | 115 Ų | 115 | 90% | 0.904 | 66% | 0.656 | S | S | * | * | trans | -73.5 | 65.6 | 148.3 | -89.3 | -86.9 | 0 | 0 | 0 | 110.8 | E187 | F185-E187 PolarHBondContact O-N 3.36Š| ||
| 186 | G | 45.6 | Very low | 59.4 | Low | 50 Ų | 50 | 112.6 Ų | 112.6 | 52% | 0.515 | 65% | 0.649 | S | S | . | * | trans | -86.7 | 103.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N184 I188 | N184-G186 PolarHBondContact O-N 2.92Å; G186-I188 VanDerWaalsContact C-N 3.31Å; G186-I188 PolarHBondContact O-N 2.96Å | ||
| 187 | E | 42.4 | Very low | 59.9 | Low | 196 Ų | 196 | 111.6 Ų | 111.6 | 92% | 0.916 | 65% | 0.646 | S | S | * | * | trans | 47.7 | 30 | 154.4 | -58.3 | -165.9 | 122.5 | 0 | 0 | 119.4 | F185 K189 | F185-E187 PolarHBondContact O-N 3.36Å; E187-K189 VanDerWaalsContact C-N 3.32Å; E187-K189 PolarHBondContact O-N 3.37Å | ||
| 188 | I | 52.7 | Low | 60.7 | Low | 166 Ų | 166 | 113.1 Ų | 113.1 | 85% | 0.851 | 65% | 0.649 | S | S | * | * | trans | -79.5 | 83.7 | 166.7 | -49 | -177.2 | 0 | 0 | 0 | 109.3 | G186 G190 | G186-I188 VanDerWaalsContact C-N 3.31Å; G186-I188 PolarHBondContact O-N 2.96Å; I188-G190 PolarHBondContact O-N 2.98Å | ||
| 189 | K | 44.8 | Very low | 61.6 | Low | 204 Ų | 204 | 112.6 Ų | 112.6 | 89% | 0.887 | 64% | 0.643 | S | S | * | * | trans | -71.5 | 67.9 | 174.1 | -169.4 | -179.8 | 179.1 | 177 | 0 | 111.3 | E187 | E187-K189 VanDerWaalsContact C-N 3.32Å; E187-K189 PolarHBondContact O-N 3.37Å | ||
| 190 | G | 55.3 | Low | 62.6 | Low | 55 Ų | 55 | 117.8 Ų | 117.8 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | trans | -66.6 | 132.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I188 | I188-G190 PolarHBondContact O-N 2.98Š| ||
| 191 | T | 54.7 | Low | 64 | Low | 85 Ų | 85 | 118.2 Ų | 118.2 | 52% | 0.521 | 65% | 0.648 | S | S | . | * | trans | -68.3 | 144.4 | 167.3 | 46.5 | 0 | 0 | 0 | 0 | 109.8 | E193 S194 | T191-E193 PolarHBondContact O-N 2.94Å; T191-S194 WeakPolarHBondContact O-CB 3.38Å; T191-S194 PolarHBondContact O-N 3.31Å | ||
| 192 | P | 62.8 | Low | 65.9 | Low | 113 Ų | 113 | 119.6 Ų | 119.6 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -60.2 | -31.5 | -178.7 | 23.2 | -33.4 | 0 | 0 | 0 | 112.4 | S194 L195 A196 | P192-S194 VanDerWaalsContact C-N 3.29Å; P192-S194 PolarHBondContact O-N 3Å; P192-L195 PolarHBondContact O-N 3.3Å; P192-L195 VanDerWaalsContact O-N 3.13Å; P192-A196 PolarHBondContact O-N 3.35Å |
| 193 | E | 64 | Low | 67.6 | Low | 156 Ų | 156 | 120.2 Ų | 120.2 | 73% | 0.729 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -56.8 | -37.1 | 171.8 | -173 | 176.1 | -136.3 | 0 | 0 | 113.1 | T191 L195 A196 E197 | T191-E193 PolarHBondContact O-N 2.94Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.47Å; E193-A196 PolarHBondContact O-N 3.31Å; E193-E197 WeakPolarHBondContact O-CB 3.5Å; E193-E197 PolarHBondContact O-N 3.4Å |
| 194 | S | 76.3 | Confident | 70.2 | Confident | 53 Ų | 53 | 119.3 Ų | 119.3 | 37% | 0.371 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.7 | -23.7 | 178 | -171.9 | 0 | 0 | 0 | 0 | 113.2 | T191 P192 K198 | T191-S194 WeakPolarHBondContact O-CB 3.38Å; T191-S194 PolarHBondContact O-N 3.31Å; P192-S194 VanDerWaalsContact C-N 3.29Å; P192-S194 PolarHBondContact O-N 3Å; S194-K198 WeakPolarHBondContact O-CD 3.25Å; S194-K198 WeakPolarHBondContact O-CG 3.21Å |
| 195 | L | 81.7 | Confident | 72.4 | Confident | 106 Ų | 106 | 116 Ų | 116 | 56% | 0.555 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.8 | -50 | 170.1 | -178.5 | 60.6 | 0 | 0 | 0 | 110.1 | P192 E193 E197 K198 E199 | P192-L195 PolarHBondContact O-N 3.3Å; P192-L195 VanDerWaalsContact O-N 3.13Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.47Å; L195-E197 VanDerWaalsContact C-N 3.27Å; L195-E197 PolarHBondContact O-N 2.93Å; L195-K198 CarbonylContact O-C 3.49Å; L195-K198 WeakPolarHBondContact O-CA 3.36Å; L195-K198 WeakPolarHBondContact O-CB 3.38Å; L195-K198 PolarHBondContact O-N 3.29Å; L195-E199 WeakPolarHBondContact O-CG 3.44Å; L195-E199 PolarHBondContact O-N 3.43Å |
| 196 | A | 82.4 | Confident | 74.7 | Confident | 41 Ų | 41 | 110.1 Ų | 110.1 | 34% | 0.339 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.5 | -37.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P192 E193 E199 R200 | P192-A196 PolarHBondContact O-N 3.35Å; E193-A196 PolarHBondContact O-N 3.31Å; A196-E199 PolarHBondContact O-N 2.94Å; A196-R200 WeakPolarHBondContact O-CG 3.29Å; A196-R200 PolarHBondContact O-N 2.9Å |
| 197 | E | 81.8 | Confident | 77 | Confident | 118 Ų | 118 | 112.5 Ų | 112.5 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70 | -35.2 | 175.4 | -173.6 | 54.5 | -154.9 | 0 | 0 | 112.6 | E193 L195 R200 Q201 | E193-E197 WeakPolarHBondContact O-CB 3.5Å; E193-E197 PolarHBondContact O-N 3.4Å; L195-E197 VanDerWaalsContact C-N 3.27Å; L195-E197 PolarHBondContact O-N 2.93Å; E197-R200 PolarHBondContact O-N 2.94Å; E197-Q201 WeakPolarHBondContact O-CB 3.41Å; E197-Q201 PolarHBondContact O-N 2.84Å |
| 198 | K | 85.8 | Confident | 79.6 | Confident | 129 Ų | 129 | 109.9 Ų | 109.9 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.3 | -35 | 172 | -75 | 172.3 | -179 | 168.4 | 0 | 112.2 | S194 L195 Q201 L202 | S194-K198 WeakPolarHBondContact O-CD 3.25Å; S194-K198 WeakPolarHBondContact O-CG 3.21Å; L195-K198 CarbonylContact O-C 3.49Å; L195-K198 WeakPolarHBondContact O-CA 3.36Å; L195-K198 WeakPolarHBondContact O-CB 3.38Å; L195-K198 PolarHBondContact O-N 3.29Å; K198-Q201 PolarHBondContact O-N 3.18Å; K198-L202 VanDerWaalsContact O-CB 3.24Å; K198-L202 WeakPolarHBondContact O-CB 3.47Å; K198-L202 PolarHBondContact O-N 3.45Å |
| 199 | E | 88.5 | Confident | 81.7 | Confident | 111 Ų | 111 | 107.3 Ų | 107.3 | 52% | 0.519 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.3 | -43.1 | 173.2 | -69 | 174 | 145.8 | 0 | 0 | 111.1 | L195 A196 L202 M203 | L195-E199 WeakPolarHBondContact O-CG 3.44Å; L195-E199 PolarHBondContact O-N 3.43Å; A196-E199 PolarHBondContact O-N 2.94Å; E199-L202 PolarHBondContact O-N 2.86Å; E199-M203 WeakPolarHBondContact O-CG 3.41Å; E199-M203 PolarHBondContact O-N 3.24Å |
| 200 | R | 88.2 | Confident | 84 | Confident | 181 Ų | 181 | 100.4 Ų | 100.4 | 68% | 0.683 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.2 | -46.8 | 171.5 | -73.8 | 175.3 | -178.9 | -77.7 | -2.5 | 112.1 | A196 E197 L202 M203 G204 | A196-R200 WeakPolarHBondContact O-CG 3.29Å; A196-R200 PolarHBondContact O-N 2.9Å; E197-R200 PolarHBondContact O-N 2.94Å; R200-L202 VanDerWaalsContact C-N 3.34Å; R200-L202 PolarHBondContact O-N 2.89Å; R200-M203 PolarHBondContact O-N 2.96Å; R200-G204 PolarHBondContact O-N 2.78Å |
| 201 | Q | 92.4 | Very high | 86 | Confident | 129 Ų | 129 | 101.3 Ų | 101.3 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.7 | -42.2 | 176.8 | -173.5 | 174.3 | 52.1 | 0 | 0 | 111.7 | E197 K198 G204 M205 | E197-Q201 WeakPolarHBondContact O-CB 3.41Å; E197-Q201 PolarHBondContact O-N 2.84Å; K198-Q201 PolarHBondContact O-N 3.18Å; Q201-G204 PolarHBondContact O-N 3.32Å; Q201-M205 WeakPolarHBondContact O-CG 3.33Å; Q201-M205 PolarHBondContact O-N 3.27Å |
| 202 | L | 95.4 | Very high | 88 | Confident | 95 Ų | 95 | 101.5 Ų | 101.5 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 176.7 | -179.2 | 60.7 | 0 | 0 | 0 | 111.8 | K198 E199 R200 G204 M205 I206 | K198-L202 VanDerWaalsContact O-CB 3.24Å; K198-L202 WeakPolarHBondContact O-CB 3.47Å; K198-L202 PolarHBondContact O-N 3.45Å; E199-L202 PolarHBondContact O-N 2.86Å; R200-L202 VanDerWaalsContact C-N 3.34Å; R200-L202 PolarHBondContact O-N 2.89Å; L202-G204 VanDerWaalsContact C-N 3.31Å; L202-G204 PolarHBondContact O-N 3.49Å; L202-M205 PolarHBondContact O-N 2.79Å; L202-I206 HydrophobicContact CD1-CD1 4.26Å; L202-I206 HydrophobicContact CD1-CG1 4.47Å; L202-I206 HydrophobicContact CG-CD1 3.96Å; L202-I206 VanDerWaalsContact O-CG1 3.28Å; L202-I206 WeakPolarHBondContact O-CG1 3.44Å; L202-I206 PolarHBondContact O-N 3.4Å |
| 203 | M | 91.2 | Very high | 89.6 | Confident | 118 Ų | 118 | 103.8 Ų | 103.8 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.2 | -38.6 | 172.8 | -69.7 | -151 | 80.3 | 0 | 0 | 112 | E199 R200 I206 N207 | E199-M203 WeakPolarHBondContact O-CG 3.41Å; E199-M203 PolarHBondContact O-N 3.24Å; R200-M203 PolarHBondContact O-N 2.96Å; M203-I206 PolarHBondContact O-N 3.03Å; M203-N207 WeakPolarHBondContact O-CB 3.46Å; M203-N207 VanDerWaalsContact O-CG 3.25Å; M203-N207 PolarHBondContact O-N 3.39Å; M203-N207 PolarHBondContact O-ND2 3.24Å |
| 204 | G | 94.3 | Very high | 91.1 | Very high | 31 Ų | 31 | 101.9 Ų | 101.9 | 32% | 0.32 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R200 Q201 L202 N207 Q208 | R200-G204 PolarHBondContact O-N 2.78Å; Q201-G204 PolarHBondContact O-N 3.32Å; L202-G204 VanDerWaalsContact C-N 3.31Å; L202-G204 PolarHBondContact O-N 3.49Å; G204-N207 PolarHBondContact O-N 3.3Å; G204-Q208 WeakPolarHBondContact O-CG 3.38Å; G204-Q208 PolarHBondContact O-N 2.83Å |
| 205 | M | 94.4 | Very high | 92 | Very high | 94 Ų | 94 | 105.7 Ų | 105.7 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 175.3 | -72.8 | 168.5 | 49.2 | 0 | 0 | 112.7 | Q201 L202 N207 Q208 L209 | Q201-M205 WeakPolarHBondContact O-CG 3.33Å; Q201-M205 PolarHBondContact O-N 3.27Å; L202-M205 PolarHBondContact O-N 2.79Å; M205-N207 VanDerWaalsContact C-N 3.34Å; M205-N207 PolarHBondContact O-N 2.95Å; M205-Q208 PolarHBondContact O-N 3.21Å; M205-L209 WeakPolarHBondContact O-CB 3.31Å; M205-L209 VanDerWaalsContact O-CG 3.31Å; M205-L209 WeakPolarHBondContact O-CG 3.48Å; M205-L209 PolarHBondContact O-N 2.89Å |
| 206 | I | 93.5 | Very high | 92.6 | Very high | 82 Ų | 82 | 106.1 Ų | 106.1 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 177 | -71.5 | 165 | 0 | 0 | 0 | 110.7 | L202 M203 L209 T210 | L202-I206 HydrophobicContact CD1-CD1 4.26Å; L202-I206 HydrophobicContact CD1-CG1 4.47Å; L202-I206 HydrophobicContact CG-CD1 3.96Å; L202-I206 VanDerWaalsContact O-CG1 3.28Å; L202-I206 WeakPolarHBondContact O-CG1 3.44Å; L202-I206 PolarHBondContact O-N 3.4Å; M203-I206 PolarHBondContact O-N 3.03Å; I206-L209 PolarHBondContact O-N 3.2Å; I206-T210 WeakPolarHBondContact O-CB 3.26Å; I206-T210 PolarHBondContact O-N 3.44Å; I206-T210 PolarHBondContact O-OG1 3.42Å |
| 207 | N | 95.1 | Very high | 93.2 | Very high | 100 Ų | 100 | 107.9 Ų | 107.9 | 54% | 0.535 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 177.3 | -70.3 | -19 | 0 | 0 | 0 | 112 | M203 G204 M205 T210 S211 | M203-N207 WeakPolarHBondContact O-CB 3.46Å; M203-N207 VanDerWaalsContact O-CG 3.25Å; M203-N207 PolarHBondContact O-N 3.39Å; M203-N207 PolarHBondContact O-ND2 3.24Å; G204-N207 PolarHBondContact O-N 3.3Å; M205-N207 VanDerWaalsContact C-N 3.34Å; M205-N207 PolarHBondContact O-N 2.95Å; N207-T210 PolarHBondContact O-N 2.95Å; N207-S211 WeakPolarHBondContact O-CB 3.27Å; N207-S211 PolarHBondContact O-N 3.01Å |
| 208 | Q | 95.9 | Very high | 93.8 | Very high | 141 Ų | 141 | 105.3 Ų | 105.3 | 66% | 0.659 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | 174.1 | -73.4 | 175 | -4.1 | 0 | 0 | 112.1 | G204 M205 T210 S211 L212 | G204-Q208 WeakPolarHBondContact O-CG 3.38Å; G204-Q208 PolarHBondContact O-N 2.83Å; M205-Q208 PolarHBondContact O-N 3.21Å; Q208-T210 VanDerWaalsContact C-N 3.32Å; Q208-T210 PolarHBondContact O-N 3.32Å; Q208-S211 PolarHBondContact O-N 2.95Å; Q208-L212 WeakPolarHBondContact O-CB 3.38Å; Q208-L212 PolarHBondContact O-N 3.32Å |
| 209 | L | 96.3 | Very high | 94.2 | Very high | 112 Ų | 112 | 101.8 Ų | 101.8 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.6 | -34.5 | 177.4 | -70.9 | 170.1 | 0 | 0 | 0 | 112.4 | M205 I206 R213 | M205-L209 WeakPolarHBondContact O-CB 3.31Å; M205-L209 VanDerWaalsContact O-CG 3.31Å; M205-L209 WeakPolarHBondContact O-CG 3.48Å; M205-L209 PolarHBondContact O-N 2.89Å; I206-L209 PolarHBondContact O-N 3.2Å; L209-R213 VanDerWaalsContact O-CB 3.27Å; L209-R213 WeakPolarHBondContact O-CB 3.34Å; L209-R213 PolarHBondContact O-N 3.09Å |
| 210 | T | 95 | Very high | 94.5 | Very high | 58 Ų | 58 | 100.9 Ų | 100.9 | 36% | 0.356 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.3 | -47.5 | 175.8 | -57.8 | 0 | 0 | 0 | 0 | 111 | I206 N207 Q208 L212 R213 E214 | I206-T210 WeakPolarHBondContact O-CB 3.26Å; I206-T210 PolarHBondContact O-N 3.44Å; I206-T210 PolarHBondContact O-OG1 3.42Å; N207-T210 PolarHBondContact O-N 2.95Å; Q208-T210 VanDerWaalsContact C-N 3.32Å; Q208-T210 PolarHBondContact O-N 3.32Å; T210-L212 PolarHBondContact O-N 3.41Å; T210-R213 WeakPolarHBondContact O-CB 3.38Å; T210-R213 PolarHBondContact O-N 2.92Å; T210-E214 WeakPolarHBondContact O-CG 3.5Å; T210-E214 PolarHBondContact O-N 3.22Å |
| 211 | S | 95.7 | Very high | 94.7 | Very high | 75 Ų | 75 | 95.8 Ų | 95.8 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 175.9 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | N207 Q208 R213 E214 Q215 | N207-S211 WeakPolarHBondContact O-CB 3.27Å; N207-S211 PolarHBondContact O-N 3.01Å; Q208-S211 PolarHBondContact O-N 2.95Å; S211-R213 PolarHBondContact O-N 3.35Å; S211-E214 PolarHBondContact O-N 2.98Å; S211-Q215 PolarHBondContact O-N 3.05Å |
| 212 | L | 97 | Very high | 94.8 | Very high | 89 Ų | 89 | 95.4 Ų | 95.4 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 175.1 | -178.2 | 62.7 | 0 | 0 | 0 | 112.2 | Q208 T210 Q215 L216 | Q208-L212 WeakPolarHBondContact O-CB 3.38Å; Q208-L212 PolarHBondContact O-N 3.32Å; T210-L212 PolarHBondContact O-N 3.41Å; L212-Q215 PolarHBondContact O-N 2.95Å; L212-L216 HydrophobicContact CD1-CD1 4.5Å; L212-L216 HydrophobicContact CG-CD1 4.21Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 WeakPolarHBondContact O-CG 3.27Å; L212-L216 PolarHBondContact O-N 3.23Å |
| 213 | R | 96.2 | Very high | 94.6 | Very high | 160 Ų | 160 | 97.3 Ų | 97.3 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 175.3 | 177.6 | 179.7 | 177.2 | -85.5 | 0.1 | 111.7 | L209 T210 S211 L216 L217 | L209-R213 VanDerWaalsContact O-CB 3.27Å; L209-R213 WeakPolarHBondContact O-CB 3.34Å; L209-R213 PolarHBondContact O-N 3.09Å; T210-R213 WeakPolarHBondContact O-CB 3.38Å; T210-R213 PolarHBondContact O-N 2.92Å; S211-R213 PolarHBondContact O-N 3.35Å; R213-L216 PolarHBondContact O-N 2.97Å; R213-L217 HydrophobicContact CG-CD1 4.12Å; R213-L217 WeakPolarHBondContact O-CB 3.29Å; R213-L217 VanDerWaalsContact O-CG 3.26Å; R213-L217 WeakPolarHBondContact O-CG 3.42Å; R213-L217 PolarHBondContact O-N 3.03Å |
| 214 | E | 95.3 | Very high | 94.6 | Very high | 117 Ų | 117 | 96.3 Ų | 96.3 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.4 | -72.6 | 176.5 | 167.9 | 0 | 0 | 111.8 | T210 S211 L217 A218 | T210-E214 WeakPolarHBondContact O-CG 3.5Å; T210-E214 PolarHBondContact O-N 3.22Å; S211-E214 PolarHBondContact O-N 2.98Å; E214-L217 PolarHBondContact O-N 2.97Å; E214-A218 WeakPolarHBondContact O-CB 3.48Å; E214-A218 PolarHBondContact O-N 2.94Å |
| 215 | Q | 95.4 | Very high | 94.6 | Very high | 133 Ų | 133 | 102 Ų | 102 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.5 | -43 | 175.2 | -169.2 | 178.6 | 15.6 | 0 | 0 | 112.3 | S211 L212 A218 A219 | S211-Q215 PolarHBondContact O-N 3.05Å; L212-Q215 PolarHBondContact O-N 2.95Å; Q215-A218 PolarHBondContact O-N 3.29Å; Q215-A219 WeakPolarHBondContact O-CB 3.48Å; Q215-A219 PolarHBondContact O-N 3.49Å |
| 216 | L | 95.5 | Very high | 94.5 | Very high | 114 Ų | 114 | 103 Ų | 103 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 176.1 | -73.5 | 168.7 | 0 | 0 | 0 | 112.4 | L212 R213 H220 | L212-L216 HydrophobicContact CD1-CD1 4.5Å; L212-L216 HydrophobicContact CG-CD1 4.21Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 WeakPolarHBondContact O-CG 3.27Å; L212-L216 PolarHBondContact O-N 3.23Å; R213-L216 PolarHBondContact O-N 2.97Å; L216-H220 WeakPolarHBondContact O-CB 3.49Å; L216-H220 PolarHBondContact O-N 3.37Å |
| 217 | L | 93.5 | Very high | 94.4 | Very high | 79 Ų | 79 | 101.2 Ų | 101.2 | 41% | 0.414 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 174.4 | -73 | 169 | 0 | 0 | 0 | 111.7 | R213 E214 H220 D221 | R213-L217 HydrophobicContact CG-CD1 4.12Å; R213-L217 WeakPolarHBondContact O-CB 3.29Å; R213-L217 VanDerWaalsContact O-CG 3.26Å; R213-L217 WeakPolarHBondContact O-CG 3.42Å; R213-L217 PolarHBondContact O-N 3.03Å; E214-L217 PolarHBondContact O-N 2.97Å; L217-H220 PolarHBondContact O-N 2.68Å; L217-D221 PolarHBondContact O-N 2.81Å |
| 218 | A | 95.2 | Very high | 94.3 | Very high | 63 Ų | 63 | 99.1 Ų | 99.1 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E214 Q215 H220 D221 E222 | E214-A218 WeakPolarHBondContact O-CB 3.48Å; E214-A218 PolarHBondContact O-N 2.94Å; Q215-A218 PolarHBondContact O-N 3.29Å; A218-H220 PolarHBondContact O-N 3.36Å; A218-D221 PolarHBondContact O-N 3.21Å; A218-E222 PolarHBondContact O-N 2.92Å |
| 219 | A | 94.4 | Very high | 94.2 | Very high | 56 Ų | 56 | 96.2 Ų | 96.2 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q215 E222 Q223 | Q215-A219 WeakPolarHBondContact O-CB 3.48Å; Q215-A219 PolarHBondContact O-N 3.49Å; A219-E222 PolarHBondContact O-N 3.35Å; A219-Q223 PolarHBondContact O-N 3.46Å |
| 220 | H | 95.6 | Very high | 94 | Very high | 91 Ų | 91 | 97 Ų | 97 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 176 | -175.1 | -158.9 | 0 | 0 | 0 | 112.1 | L216 L217 A218 Q223 K224 | L216-H220 WeakPolarHBondContact O-CB 3.49Å; L216-H220 PolarHBondContact O-N 3.37Å; L217-H220 PolarHBondContact O-N 2.68Å; A218-H220 PolarHBondContact O-N 3.36Å; H220-Q223 PolarHBondContact O-N 2.81Å; H220-K224 WeakPolarHBondContact CE1-CE 3.47Å; H220-K224 WeakPolarHBondContact NE2-CE 3.4Å; H220-K224 WeakPolarHBondContact O-CG 3.43Å; H220-K224 PolarHBondContact O-N 3.08Å |
| 221 | D | 92.2 | Very high | 93.8 | Very high | 75 Ų | 75 | 99.5 Ų | 99.5 | 40% | 0.401 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.3 | -29.2 | 175 | -82.6 | -1 | 0 | 0 | 0 | 113 | L217 A218 K224 K225 | L217-D221 PolarHBondContact O-N 2.81Å; A218-D221 PolarHBondContact O-N 3.21Å; D221-K224 WeakPolarHBondContact OD1-CD 3.36Å; D221-K224 WeakPolarHBondContact OD1-CE 3.46Å; D221-K224 IonicContact OD1-NZ 3.16Å; D221-K224 PolarHBondContact OD1-NZ 3.15Å; D221-K225 VanDerWaalsContact O-CG 3.26Å; D221-K225 WeakPolarHBondContact O-CG 3.46Å; D221-K225 PolarHBondContact O-N 2.81Å |
| 222 | E | 93.6 | Very high | 93.6 | Very high | 121 Ų | 121 | 99 Ų | 99 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.2 | -46.7 | 167 | -174.6 | 173.4 | -170.2 | 0 | 0 | 111.4 | A218 A219 K224 K225 L226 | A218-E222 PolarHBondContact O-N 2.92Å; A219-E222 PolarHBondContact O-N 3.35Å; E222-K224 VanDerWaalsContact C-N 3.28Å; E222-K224 PolarHBondContact O-N 2.75Å; E222-K225 WeakPolarHBondContact O-CB 3.39Å; E222-K225 PolarHBondContact O-N 2.92Å; E222-L226 HydrophobicContact CG-CD1 4.38Å; E222-L226 WeakPolarHBondContact O-CG 3.39Å; E222-L226 PolarHBondContact O-N 3.48Å |
| 223 | Q | 91.9 | Very high | 93.5 | Very high | 134 Ų | 134 | 101.3 Ų | 101.3 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.6 | -40.5 | 175 | -169.2 | -177.8 | 8.1 | 0 | 0 | 111.9 | A219 H220 L226 A227 | A219-Q223 PolarHBondContact O-N 3.46Å; H220-Q223 PolarHBondContact O-N 2.81Å; Q223-L226 PolarHBondContact O-N 3.44Å; Q223-A227 WeakPolarHBondContact O-CB 3.5Å; Q223-A227 PolarHBondContact O-N 3.2Å |
| 224 | K | 91.6 | Very high | 93.4 | Very high | 97 Ų | 97 | 99.2 Ų | 99.2 | 42% | 0.422 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 172.5 | -69.9 | 170.3 | -154.8 | 158.5 | 0 | 112.5 | H220 D221 E222 A227 A228 | H220-K224 WeakPolarHBondContact CE1-CE 3.47Å; H220-K224 WeakPolarHBondContact NE2-CE 3.4Å; H220-K224 WeakPolarHBondContact O-CG 3.43Å; H220-K224 PolarHBondContact O-N 3.08Å; D221-K224 WeakPolarHBondContact OD1-CD 3.36Å; D221-K224 WeakPolarHBondContact OD1-CE 3.46Å; D221-K224 IonicContact OD1-NZ 3.16Å; D221-K224 PolarHBondContact OD1-NZ 3.15Å; E222-K224 VanDerWaalsContact C-N 3.28Å; E222-K224 PolarHBondContact O-N 2.75Å; K224-A227 PolarHBondContact O-N 3.36Å; K224-A228 VanDerWaalsContact O-CB 3.29Å; K224-A228 WeakPolarHBondContact O-CB 3.37Å; K224-A228 PolarHBondContact O-N 3.46Å |
| 225 | K | 93.7 | Very high | 93.4 | Very high | 150 Ų | 150 | 101 Ų | 101 | 65% | 0.652 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -42 | 175.8 | -73.6 | 164.3 | -173.7 | 169.4 | 0 | 111.4 | D221 E222 A228 S229 | D221-K225 VanDerWaalsContact O-CG 3.26Å; D221-K225 WeakPolarHBondContact O-CG 3.46Å; D221-K225 PolarHBondContact O-N 2.81Å; E222-K225 WeakPolarHBondContact O-CB 3.39Å; E222-K225 PolarHBondContact O-N 2.92Å; K225-A228 PolarHBondContact O-N 2.94Å; K225-S229 VanDerWaalsContact O-CB 3.3Å; K225-S229 WeakPolarHBondContact O-CB 3.32Å; K225-S229 PolarHBondContact O-N 3.36Å |
| 226 | L | 92.7 | Very high | 93.4 | Very high | 116 Ų | 116 | 100.1 Ų | 100.1 | 61% | 0.607 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 175.8 | -68.3 | 172.2 | 0 | 0 | 0 | 111.7 | E222 Q223 S229 Q230 | E222-L226 HydrophobicContact CG-CD1 4.38Å; E222-L226 WeakPolarHBondContact O-CG 3.39Å; E222-L226 PolarHBondContact O-N 3.48Å; Q223-L226 PolarHBondContact O-N 3.44Å; L226-S229 PolarHBondContact O-N 3.49Å; L226-Q230 PolarHBondContact O-N 3.21Å |
| 227 | A | 91.1 | Very high | 93.3 | Very high | 44 Ų | 44 | 100.6 Ų | 100.6 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q223 K224 S229 Q230 I231 | Q223-A227 WeakPolarHBondContact O-CB 3.5Å; Q223-A227 PolarHBondContact O-N 3.2Å; K224-A227 PolarHBondContact O-N 3.36Å; A227-S229 PolarHBondContact O-N 2.9Å; A227-Q230 WeakPolarHBondContact O-CB 3.44Å; A227-Q230 PolarHBondContact O-N 2.92Å; A227-I231 WeakPolarHBondContact O-CG1 3.43Å; A227-I231 PolarHBondContact O-N 3.29Å |
| 228 | A | 92.4 | Very high | 93.3 | Very high | 57 Ų | 57 | 102.6 Ų | 102.6 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K224 K225 I231 E232 | K224-A228 VanDerWaalsContact O-CB 3.29Å; K224-A228 WeakPolarHBondContact O-CB 3.37Å; K224-A228 PolarHBondContact O-N 3.46Å; K225-A228 PolarHBondContact O-N 2.94Å; A228-I231 PolarHBondContact O-N 3.28Å; A228-E232 WeakPolarHBondContact O-CB 3.39Å; A228-E232 PolarHBondContact O-N 2.86Å |
| 229 | S | 94 | Very high | 93.2 | Very high | 80 Ų | 80 | 103 Ų | 103 | 56% | 0.559 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -40.8 | 173.9 | -176.7 | 0 | 0 | 0 | 0 | 112 | K225 L226 A227 E232 K233 | K225-S229 VanDerWaalsContact O-CB 3.3Å; K225-S229 WeakPolarHBondContact O-CB 3.32Å; K225-S229 PolarHBondContact O-N 3.36Å; L226-S229 PolarHBondContact O-N 3.49Å; A227-S229 PolarHBondContact O-N 2.9Å; S229-E232 PolarHBondContact O-N 3.39Å; S229-K233 WeakPolarHBondContact O-CB 3.47Å; S229-K233 PolarHBondContact O-N 3.48Å |
| 230 | Q | 91.2 | Very high | 93.3 | Very high | 127 Ų | 127 | 105 Ų | 105 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 174.9 | -168.9 | -178.3 | 33.8 | 0 | 0 | 112.1 | L226 A227 K233 Q234 | L226-Q230 PolarHBondContact O-N 3.21Å; A227-Q230 WeakPolarHBondContact O-CB 3.44Å; A227-Q230 PolarHBondContact O-N 2.92Å; Q230-K233 PolarHBondContact O-N 3.05Å; Q230-Q234 PolarHBondContact O-N 3.43Å |
| 231 | I | 91.7 | Very high | 93.3 | Very high | 112 Ų | 112 | 103.3 Ų | 103.3 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.4 | -42.7 | 176.6 | -68.1 | 165.3 | 0 | 0 | 0 | 110.9 | A227 A228 K233 Q234 R235 | A227-I231 WeakPolarHBondContact O-CG1 3.43Å; A227-I231 PolarHBondContact O-N 3.29Å; A228-I231 PolarHBondContact O-N 3.28Å; I231-K233 PolarHBondContact O-N 3.01Å; I231-Q234 PolarHBondContact O-N 3Å; I231-R235 PolarHBondContact O-N 3.26Å |
| 232 | E | 92.4 | Very high | 93.5 | Very high | 64 Ų | 64 | 105 Ų | 105 | 30% | 0.299 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 177 | -179.8 | 55.6 | -156.1 | 0 | 0 | 111.7 | A228 S229 Q234 R235 Q236 | A228-E232 WeakPolarHBondContact O-CB 3.39Å; A228-E232 PolarHBondContact O-N 2.86Å; S229-E232 PolarHBondContact O-N 3.39Å; E232-Q234 VanDerWaalsContact C-N 3.35Å; E232-Q234 PolarHBondContact O-N 3Å; E232-R235 VanDerWaalsContact CD-NH2 3.35Å; E232-R235 WeakPolarHBondContact O-CB 3.44Å; E232-R235 PolarHBondContact O-N 3.08Å; E232-R235 VanDerWaalsContact O-N 3.14Å; E232-R235 IonicContact OE1-CZ 2.7Å; E232-R235 IonicContact OE1-NE 3.18Å; E232-R235 PolarHBondContact OE1-NE 2.82Å; E232-R235 IonicContact OE1-NH2 2.6Å; E232-R235 PolarHBondContact OE1-NH2 3.28Å; E232-R235 IonicContact OE2-CZ 3.54Å; E232-R235 IonicContact OE2-NE 2.66Å; E232-R235 PolarHBondContact OE2-NE 3.03Å; E232-R235 IonicContact OE2-NH2 2.69Å; E232-R235 PolarHBondContact OE2-NH2 3.36Å; E232-R235 VanDerWaalsContact OE2-NH2 3.16Å; E232-Q236 WeakPolarHBondContact O-CG 3.28Å; E232-Q236 PolarHBondContact O-N 3.13Å; E232-Q236 PolarHBondContact OE1-NE2 2.98Å |
| 233 | K | 94.6 | Very high | 93.6 | Very high | 137 Ų | 137 | 104.1 Ų | 104.1 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 172.6 | -173.4 | 173.3 | -178.1 | 174.4 | 0 | 112.3 | S229 Q230 I231 Q236 Q237 | S229-K233 WeakPolarHBondContact O-CB 3.47Å; S229-K233 PolarHBondContact O-N 3.48Å; Q230-K233 PolarHBondContact O-N 3.05Å; I231-K233 PolarHBondContact O-N 3.01Å; K233-Q236 PolarHBondContact O-N 2.7Å; K233-Q237 WeakPolarHBondContact O-CG 3.31Å; K233-Q237 PolarHBondContact O-N 2.89Å; K233-Q237 VanDerWaalsContact O-N 3.11Å |
| 234 | Q | 94.3 | Very high | 93.7 | Very high | 117 Ų | 117 | 103.4 Ų | 103.4 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 171.7 | -71.8 | -178.3 | 4.6 | 0 | 0 | 111.9 | Q230 I231 E232 Q236 Q237 M238 | Q230-Q234 PolarHBondContact O-N 3.43Å; I231-Q234 PolarHBondContact O-N 3Å; E232-Q234 VanDerWaalsContact C-N 3.35Å; E232-Q234 PolarHBondContact O-N 3Å; Q234-Q236 VanDerWaalsContact C-N 3.34Å; Q234-Q236 PolarHBondContact O-N 3.44Å; Q234-Q237 PolarHBondContact O-N 2.8Å; Q234-M238 WeakPolarHBondContact O-CB 3.35Å; Q234-M238 PolarHBondContact O-N 2.82Å |
| 235 | R | 94.5 | Very high | 93.9 | Very high | 153 Ų | 153 | 101.6 Ų | 101.6 | 58% | 0.577 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | 176.5 | -165.1 | 179.8 | 72.6 | 99.2 | 4.1 | 111.9 | I231 E232 M238 E239 | I231-R235 PolarHBondContact O-N 3.26Å; E232-R235 VanDerWaalsContact CD-NH2 3.35Å; E232-R235 WeakPolarHBondContact O-CB 3.44Å; E232-R235 PolarHBondContact O-N 3.08Å; E232-R235 VanDerWaalsContact O-N 3.14Å; E232-R235 IonicContact OE1-CZ 2.7Å; E232-R235 IonicContact OE1-NE 3.18Å; E232-R235 PolarHBondContact OE1-NE 2.82Å; E232-R235 IonicContact OE1-NH2 2.6Å; E232-R235 PolarHBondContact OE1-NH2 3.28Å; E232-R235 IonicContact OE2-CZ 3.54Å; E232-R235 IonicContact OE2-NE 2.66Å; E232-R235 PolarHBondContact OE2-NE 3.03Å; E232-R235 IonicContact OE2-NH2 2.69Å; E232-R235 PolarHBondContact OE2-NH2 3.36Å; E232-R235 VanDerWaalsContact OE2-NH2 3.16Å; R235-M238 PolarHBondContact O-N 2.66Å; R235-E239 WeakPolarHBondContact O-CB 3.49Å; R235-E239 PolarHBondContact O-N 3.46Å |
| 236 | Q | 96 | Very high | 93.9 | Very high | 115 Ų | 115 | 98.8 Ų | 98.8 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 175.6 | -70.8 | 172.2 | 13.7 | 0 | 0 | 112.2 | E232 K233 Q234 E239 L240 | E232-Q236 WeakPolarHBondContact O-CG 3.28Å; E232-Q236 PolarHBondContact O-N 3.13Å; E232-Q236 PolarHBondContact OE1-NE2 2.98Å; K233-Q236 PolarHBondContact O-N 2.7Å; Q234-Q236 VanDerWaalsContact C-N 3.34Å; Q234-Q236 PolarHBondContact O-N 3.44Å; Q236-E239 PolarHBondContact O-N 2.89Å; Q236-L240 WeakPolarHBondContact O-CB 3.19Å; Q236-L240 PolarHBondContact O-N 3.14Å |
| 237 | Q | 92.9 | Very high | 94 | Very high | 124 Ų | 124 | 99.2 Ų | 99.2 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 173.4 | -73.6 | -179.4 | -20.2 | 0 | 0 | 112.3 | K233 Q234 L240 A241 | K233-Q237 WeakPolarHBondContact O-CG 3.31Å; K233-Q237 PolarHBondContact O-N 2.89Å; K233-Q237 VanDerWaalsContact O-N 3.11Å; Q234-Q237 PolarHBondContact O-N 2.8Å; Q237-L240 PolarHBondContact O-N 3.24Å; Q237-A241 WeakPolarHBondContact O-CB 3.27Å; Q237-A241 PolarHBondContact O-N 2.66Å |
| 238 | M | 92.4 | Very high | 94.1 | Very high | 122 Ų | 122 | 100.6 Ų | 100.6 | 60% | 0.601 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 176.6 | -174.2 | -176.6 | -69.6 | 0 | 0 | 112.1 | Q234 R235 A241 K242 | Q234-M238 WeakPolarHBondContact O-CB 3.35Å; Q234-M238 PolarHBondContact O-N 2.82Å; R235-M238 PolarHBondContact O-N 2.66Å; M238-A241 PolarHBondContact O-N 2.9Å; M238-K242 WeakPolarHBondContact O-CB 3.4Å; M238-K242 PolarHBondContact O-N 2.92Å |
| 239 | E | 94.6 | Very high | 94.3 | Very high | 72 Ų | 72 | 100.2 Ų | 100.2 | 34% | 0.336 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.1 | -38 | 177.7 | -174.5 | 55.5 | -138.8 | 0 | 0 | 112 | R235 Q236 K242 Q243 | R235-E239 WeakPolarHBondContact O-CB 3.49Å; R235-E239 PolarHBondContact O-N 3.46Å; Q236-E239 PolarHBondContact O-N 2.89Å; E239-K242 WeakPolarHBondContact O-CB 3.41Å; E239-K242 PolarHBondContact O-N 3.29Å; E239-K242 IonicContact OE1-NZ 2.61Å; E239-K242 PolarHBondContact OE1-NZ 3.05Å; E239-K242 IonicContact OE2-NZ 2.68Å; E239-K242 PolarHBondContact OE2-NZ 3.49Å; E239-Q243 WeakPolarHBondContact O-CG 3.31Å; E239-Q243 PolarHBondContact O-N 2.95Å |
| 240 | L | 96 | Very high | 94.4 | Very high | 98 Ų | 98 | 102.6 Ų | 102.6 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 172.5 | 179.4 | 62.6 | 0 | 0 | 0 | 111.8 | Q236 Q237 K242 Q243 Q244 | Q236-L240 WeakPolarHBondContact O-CB 3.19Å; Q236-L240 PolarHBondContact O-N 3.14Å; Q237-L240 PolarHBondContact O-N 3.24Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.46Å; L240-Q243 PolarHBondContact O-N 3.42Å; L240-Q244 WeakPolarHBondContact O-CG 3.23Å; L240-Q244 PolarHBondContact O-N 2.92Å |
| 241 | A | 94.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 103.1 Ų | 103.1 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q237 M238 Q244 Q245 | Q237-A241 WeakPolarHBondContact O-CB 3.27Å; Q237-A241 PolarHBondContact O-N 2.66Å; M238-A241 PolarHBondContact O-N 2.9Å; A241-Q244 PolarHBondContact O-N 2.87Å; A241-Q245 WeakPolarHBondContact O-CB 3.22Å; A241-Q245 PolarHBondContact O-N 3.38Å |
| 242 | K | 96.3 | Very high | 94.7 | Very high | 112 Ų | 112 | 103.1 Ų | 103.1 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 173.7 | 166.3 | 168.8 | 156.3 | -82 | 0 | 112.6 | M238 E239 L240 Q245 E246 | M238-K242 WeakPolarHBondContact O-CB 3.4Å; M238-K242 PolarHBondContact O-N 2.92Å; E239-K242 WeakPolarHBondContact O-CB 3.41Å; E239-K242 PolarHBondContact O-N 3.29Å; E239-K242 IonicContact OE1-NZ 2.61Å; E239-K242 PolarHBondContact OE1-NZ 3.05Å; E239-K242 IonicContact OE2-NZ 2.68Å; E239-K242 PolarHBondContact OE2-NZ 3.49Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.46Å; K242-Q245 WeakPolarHBondContact O-CB 3.3Å; K242-Q245 PolarHBondContact O-N 3.11Å; K242-E246 PolarHBondContact O-N 3.23Å |
| 243 | Q | 95.9 | Very high | 94.8 | Very high | 102 Ų | 102 | 106.1 Ų | 106.1 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 174.8 | -72.4 | 175.1 | 21.3 | 0 | 0 | 112.1 | E239 L240 E246 Q247 | E239-Q243 WeakPolarHBondContact O-CG 3.31Å; E239-Q243 PolarHBondContact O-N 2.95Å; L240-Q243 PolarHBondContact O-N 3.42Å; Q243-E246 PolarHBondContact O-N 3.42Å; Q243-Q247 WeakPolarHBondContact O-CG 3.26Å; Q243-Q247 PolarHBondContact O-N 3.34Å |
| 244 | Q | 95 | Very high | 94.8 | Very high | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 172.8 | -69.7 | 178.4 | -1.7 | 0 | 0 | 111.5 | L240 A241 E246 Q247 I248 | L240-Q244 WeakPolarHBondContact O-CG 3.23Å; L240-Q244 PolarHBondContact O-N 2.92Å; A241-Q244 PolarHBondContact O-N 2.87Å; Q244-E246 VanDerWaalsContact C-N 3.3Å; Q244-E246 PolarHBondContact O-N 3.02Å; Q244-Q247 PolarHBondContact O-N 2.85Å; Q244-I248 WeakPolarHBondContact O-CG1 3.37Å; Q244-I248 PolarHBondContact O-N 2.65Å |
| 245 | Q | 94.3 | Very high | 94.9 | Very high | 60 Ų | 60 | 105.5 Ų | 105.5 | 28% | 0.28 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 175.9 | -170.9 | 64.7 | 71.4 | 0 | 0 | 112.4 | A241 K242 A249 Y342 | A241-Q245 WeakPolarHBondContact O-CB 3.22Å; A241-Q245 PolarHBondContact O-N 3.38Å; K242-Q245 WeakPolarHBondContact O-CB 3.3Å; K242-Q245 PolarHBondContact O-N 3.11Å; Q245-A249 WeakPolarHBondContact O-CB 3.49Å; Q245-A249 PolarHBondContact O-N 2.78Å; Q245-Y342 PolarHBondContact NE2-OH 2.94Å; Q245-Y342 PolarHBondContact OE1-OH 3.18Å; Q245-Y342 VanDerWaalsContact OE1-OH 3.05Å |
| 246 | E | 95.3 | Very high | 94.8 | Very high | 90 Ų | 90 | 103.5 Ų | 103.5 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 177.4 | -160.2 | -171.1 | 143 | 0 | 0 | 112.2 | K242 Q243 Q244 I248 A249 R250 | K242-E246 PolarHBondContact O-N 3.23Å; Q243-E246 PolarHBondContact O-N 3.42Å; Q244-E246 VanDerWaalsContact C-N 3.3Å; Q244-E246 PolarHBondContact O-N 3.02Å; E246-I248 VanDerWaalsContact C-N 3.34Å; E246-I248 PolarHBondContact O-N 2.85Å; E246-A249 PolarHBondContact O-N 2.86Å; E246-R250 WeakPolarHBondContact O-CB 3.17Å; E246-R250 VanDerWaalsContact O-CG 3.27Å; E246-R250 WeakPolarHBondContact O-CG 3.2Å; E246-R250 PolarHBondContact O-N 3.09Å; E246-R250 IonicContact OE1-CZ 2.72Å; E246-R250 IonicContact OE1-NE 3.97Å; E246-R250 PolarHBondContact OE1-NE 2.9Å; E246-R250 IonicContact OE1-NH2 3.14Å; E246-R250 PolarHBondContact OE1-NH2 3.23Å |
| 247 | Q | 93.9 | Very high | 94.7 | Very high | 126 Ų | 126 | 103.3 Ų | 103.3 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 174.3 | -67.9 | -69.1 | 6.8 | 0 | 0 | 111.6 | Q243 Q244 R250 Q251 | Q243-Q247 WeakPolarHBondContact O-CG 3.26Å; Q243-Q247 PolarHBondContact O-N 3.34Å; Q244-Q247 PolarHBondContact O-N 2.85Å; Q247-R250 PolarHBondContact O-N 3.32Å; Q247-Q251 PolarHBondContact O-N 2.87Å |
| 248 | I | 94.3 | Very high | 94.8 | Very high | 72 Ų | 72 | 102.9 Ų | 102.9 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.4 | -67.1 | 166.2 | 0 | 0 | 0 | 110.7 | Q244 E246 R250 Q251 Q252 | Q244-I248 WeakPolarHBondContact O-CG1 3.37Å; Q244-I248 PolarHBondContact O-N 2.65Å; E246-I248 VanDerWaalsContact C-N 3.34Å; E246-I248 PolarHBondContact O-N 2.85Å; I248-R250 PolarHBondContact O-N 3.11Å; I248-Q251 PolarHBondContact O-N 3.48Å; I248-Q252 WeakPolarHBondContact O-CG 3.47Å; I248-Q252 PolarHBondContact O-N 3.46Å |
| 249 | A | 96 | Very high | 94.8 | Very high | 50 Ų | 50 | 102.5 Ų | 102.5 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q245 E246 Q252 Q253 | Q245-A249 WeakPolarHBondContact O-CB 3.49Å; Q245-A249 PolarHBondContact O-N 2.78Å; E246-A249 PolarHBondContact O-N 2.86Å; A249-Q252 PolarHBondContact O-N 3.04Å; A249-Q253 WeakPolarHBondContact O-CB 3.35Å; A249-Q253 PolarHBondContact O-N 2.87Å |
| 250 | R | 95.6 | Very high | 94.7 | Very high | 130 Ų | 130 | 105.4 Ų | 105.4 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 173.9 | -71.6 | 168.3 | 177.8 | -141.8 | 5.2 | 111.4 | E246 Q247 I248 Q253 Q254 | E246-R250 WeakPolarHBondContact O-CB 3.17Å; E246-R250 VanDerWaalsContact O-CG 3.27Å; E246-R250 WeakPolarHBondContact O-CG 3.2Å; E246-R250 PolarHBondContact O-N 3.09Å; E246-R250 IonicContact OE1-CZ 2.72Å; E246-R250 IonicContact OE1-NE 3.97Å; E246-R250 PolarHBondContact OE1-NE 2.9Å; E246-R250 IonicContact OE1-NH2 3.14Å; E246-R250 PolarHBondContact OE1-NH2 3.23Å; Q247-R250 PolarHBondContact O-N 3.32Å; I248-R250 PolarHBondContact O-N 3.11Å; R250-Q253 PolarHBondContact O-N 3.39Å; R250-Q254 WeakPolarHBondContact O-CG 3.43Å; R250-Q254 PolarHBondContact O-N 2.94Å |
| 251 | Q | 95.3 | Very high | 94.5 | Very high | 138 Ų | 138 | 106.9 Ų | 106.9 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 176.2 | -171.7 | -175.3 | 83.5 | 0 | 0 | 112 | Q247 I248 Q253 Q254 L255 | Q247-Q251 PolarHBondContact O-N 2.87Å; I248-Q251 PolarHBondContact O-N 3.48Å; Q251-Q253 VanDerWaalsContact C-N 3.31Å; Q251-Q253 PolarHBondContact O-N 3.47Å; Q251-Q254 PolarHBondContact O-N 3.43Å; Q251-L255 PolarHBondContact O-N 2.88Å |
| 252 | Q | 94.8 | Very high | 94.4 | Very high | 112 Ų | 112 | 108.8 Ų | 108.8 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 175 | -71 | -178.6 | 23.2 | 0 | 0 | 112 | I248 A249 L255 L256 | I248-Q252 WeakPolarHBondContact O-CG 3.47Å; I248-Q252 PolarHBondContact O-N 3.46Å; A249-Q252 PolarHBondContact O-N 3.04Å; Q252-L255 PolarHBondContact O-N 2.98Å; Q252-L256 WeakPolarHBondContact O-CB 3.42Å; Q252-L256 PolarHBondContact O-N 3.32Å |
| 253 | Q | 94.7 | Very high | 94.2 | Very high | 127 Ų | 127 | 107.4 Ų | 107.4 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -38.7 | 175.6 | -170.3 | -176.9 | 55.3 | 0 | 0 | 112.5 | A249 R250 Q251 Q257 | A249-Q253 WeakPolarHBondContact O-CB 3.35Å; A249-Q253 PolarHBondContact O-N 2.87Å; R250-Q253 PolarHBondContact O-N 3.39Å; Q251-Q253 VanDerWaalsContact C-N 3.31Å; Q251-Q253 PolarHBondContact O-N 3.47Å; Q253-Q257 PolarHBondContact O-N 2.93Å |
| 254 | Q | 94.5 | Very high | 94 | Very high | 125 Ų | 125 | 106.7 Ų | 106.7 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 173.7 | -71.8 | -179.9 | 1.3 | 0 | 0 | 111.8 | R250 Q251 Q257 Q258 | R250-Q254 WeakPolarHBondContact O-CG 3.43Å; R250-Q254 PolarHBondContact O-N 2.94Å; Q251-Q254 PolarHBondContact O-N 3.43Å; Q254-Q257 PolarHBondContact O-N 3.37Å; Q254-Q258 WeakPolarHBondContact O-CG 3.31Å; Q254-Q258 PolarHBondContact O-N 3.49Å |
| 255 | L | 94.9 | Very high | 93.7 | Very high | 115 Ų | 115 | 105.7 Ų | 105.7 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 176.3 | -177.3 | 62.2 | 0 | 0 | 0 | 111.6 | Q251 Q252 Q258 Q259 | Q251-L255 PolarHBondContact O-N 2.88Å; Q252-L255 PolarHBondContact O-N 2.98Å; L255-Q258 PolarHBondContact O-N 3.43Å; L255-Q259 PolarHBondContact O-N 2.81Å |
| 256 | L | 93.8 | Very high | 93.4 | Very high | 112 Ų | 112 | 107.5 Ų | 107.5 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 176.3 | -172.3 | 64.7 | 0 | 0 | 0 | 112.2 | Q252 Q259 H260 | Q252-L256 WeakPolarHBondContact O-CB 3.42Å; Q252-L256 PolarHBondContact O-N 3.32Å; L256-Q259 PolarHBondContact O-N 2.83Å; L256-H260 PolarHBondContact O-N 2.85Å |
| 257 | Q | 94 | Very high | 93 | Very high | 110 Ų | 110 | 109.2 Ų | 109.2 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 172.1 | -97.7 | -167.7 | 71.4 | 0 | 0 | 112.7 | Q253 Q254 H260 K261 | Q253-Q257 PolarHBondContact O-N 2.93Å; Q254-Q257 PolarHBondContact O-N 3.37Å; Q257-H260 PolarHBondContact O-N 3.25Å; Q257-K261 WeakPolarHBondContact O-CG 3.35Å; Q257-K261 PolarHBondContact O-N 2.98Å |
| 258 | Q | 94.7 | Very high | 92.4 | Very high | 115 Ų | 115 | 108.9 Ų | 108.9 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176 | -72.8 | -175.4 | 88.7 | 0 | 0 | 111.2 | Q254 L255 H260 K261 I262 | Q254-Q258 WeakPolarHBondContact O-CG 3.31Å; Q254-Q258 PolarHBondContact O-N 3.49Å; L255-Q258 PolarHBondContact O-N 3.43Å; Q258-H260 VanDerWaalsContact C-N 3.31Å; Q258-H260 PolarHBondContact O-N 3.49Å; Q258-K261 PolarHBondContact O-N 2.89Å; Q258-I262 VanDerWaalsContact O-CG1 3.31Å; Q258-I262 WeakPolarHBondContact O-CG1 3.3Å; Q258-I262 PolarHBondContact O-N 3.41Å |
| 259 | Q | 92.1 | Very high | 91.7 | Very high | 115 Ų | 115 | 110.8 Ų | 110.8 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 174.9 | -165.7 | -160.2 | 89.8 | 0 | 0 | 111.7 | L255 L256 I262 N263 | L255-Q259 PolarHBondContact O-N 2.81Å; L256-Q259 PolarHBondContact O-N 2.83Å; Q259-I262 PolarHBondContact O-N 3.41Å; Q259-N263 PolarHBondContact O-N 3.45Å; Q259-N263 PolarHBondContact O-ND2 3.16Å |
| 260 | H | 92.1 | Very high | 90.7 | Very high | 133 Ų | 133 | 115.2 Ų | 115.2 | 62% | 0.616 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.7 | -43.4 | 176.4 | -175.7 | 64.4 | 0 | 0 | 0 | 112.4 | L256 Q257 Q258 I262 N263 L264 | L256-H260 PolarHBondContact O-N 2.85Å; Q257-H260 PolarHBondContact O-N 3.25Å; Q258-H260 VanDerWaalsContact C-N 3.31Å; Q258-H260 PolarHBondContact O-N 3.49Å; H260-I262 PolarHBondContact O-N 3.49Å; H260-N263 PolarHBondContact O-N 3.33Å; H260-L264 PolarHBondContact O-N 3.2Å |
| 261 | K | 93.1 | Very high | 89.4 | Confident | 128 Ų | 128 | 114.4 Ų | 114.4 | 56% | 0.557 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.8 | -41.7 | 174.1 | -71.4 | 176.8 | -179.3 | -178.6 | 0 | 112.4 | Q257 Q258 L264 L265 | Q257-K261 WeakPolarHBondContact O-CG 3.35Å; Q257-K261 PolarHBondContact O-N 2.98Å; Q258-K261 PolarHBondContact O-N 2.89Å; K261-L264 PolarHBondContact O-N 2.74Å; K261-L265 WeakPolarHBondContact O-CB 3.42Å; K261-L265 PolarHBondContact O-N 3.43Å |
| 262 | I | 91.4 | Very high | 87.7 | Confident | 94 Ų | 94 | 115.3 Ų | 115.3 | 48% | 0.482 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.3 | -37 | 178 | -69.2 | 164 | 0 | 0 | 0 | 111.4 | Q258 Q259 H260 Q266 | Q258-I262 VanDerWaalsContact O-CG1 3.31Å; Q258-I262 WeakPolarHBondContact O-CG1 3.3Å; Q258-I262 PolarHBondContact O-N 3.41Å; Q259-I262 PolarHBondContact O-N 3.41Å; H260-I262 PolarHBondContact O-N 3.49Å; I262-Q266 WeakPolarHBondContact O-CG 3.34Å; I262-Q266 PolarHBondContact O-N 2.98Å; I262-Q266 PolarHBondContact O-NE2 3.39Å |
| 263 | N | 91.6 | Very high | 85.9 | Confident | 84 Ų | 84 | 112.9 Ų | 112.9 | 45% | 0.449 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.1 | -43 | 172.6 | -82.1 | -84 | 0 | 0 | 0 | 112 | Q259 H260 L265 Q266 Q267 | Q259-N263 PolarHBondContact O-N 3.45Å; Q259-N263 PolarHBondContact O-ND2 3.16Å; H260-N263 PolarHBondContact O-N 3.33Å; N263-L265 PolarHBondContact O-N 2.72Å; N263-Q266 PolarHBondContact O-N 3.49Å; N263-Q267 WeakPolarHBondContact O-CB 3.17Å; N263-Q267 PolarHBondContact O-N 2.96Å |
| 264 | L | 92 | Very high | 83.7 | Confident | 86 Ų | 86 | 115 Ų | 115 | 45% | 0.45 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.7 | -39.1 | 177.6 | -174.2 | 63.2 | 0 | 0 | 0 | 112.3 | H260 K261 Q267 Q268 | H260-L264 PolarHBondContact O-N 3.2Å; K261-L264 PolarHBondContact O-N 2.74Å; L264-Q267 PolarHBondContact O-N 3.35Å; L264-Q268 WeakPolarHBondContact O-CG 3.12Å; L264-Q268 PolarHBondContact O-N 3.17Å |
| 265 | L | 90.3 | Very high | 81.6 | Confident | 97 Ų | 97 | 115.7 Ų | 115.7 | 51% | 0.508 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.4 | -46.4 | 173.6 | -89.7 | 160 | 0 | 0 | 0 | 112.3 | K261 N263 Q267 Q268 I269 | K261-L265 WeakPolarHBondContact O-CB 3.42Å; K261-L265 PolarHBondContact O-N 3.43Å; N263-L265 PolarHBondContact O-N 2.72Å; L265-Q267 VanDerWaalsContact C-N 3.28Å; L265-Q267 PolarHBondContact O-N 2.92Å; L265-Q268 PolarHBondContact O-N 3.44Å; L265-I269 VanDerWaalsContact O-CG1 3.28Å; L265-I269 WeakPolarHBondContact O-CG1 3.29Å; L265-I269 PolarHBondContact O-N 2.97Å |
| 266 | Q | 87.2 | Confident | 79.6 | Confident | 99 Ų | 99 | 114.7 Ų | 114.7 | 46% | 0.463 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.8 | -39.4 | 173.9 | -78 | 176.9 | 98.9 | 0 | 0 | 112 | I262 N263 I269 Q270 | I262-Q266 WeakPolarHBondContact O-CG 3.34Å; I262-Q266 PolarHBondContact O-N 2.98Å; I262-Q266 PolarHBondContact O-NE2 3.39Å; N263-Q266 PolarHBondContact O-N 3.49Å; Q266-I269 PolarHBondContact O-N 3.03Å; Q266-Q270 WeakPolarHBondContact O-CB 3.47Å; Q266-Q270 WeakPolarHBondContact O-CG 3.42Å; Q266-Q270 PolarHBondContact O-N 2.92Å |
| 267 | Q | 85.9 | Confident | 77.8 | Confident | 126 Ų | 126 | 115.4 Ų | 115.4 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.6 | -46.9 | 176 | -172.2 | 164.5 | 87.1 | 0 | 0 | 111.3 | N263 L264 L265 I269 Q270 V271 | N263-Q267 WeakPolarHBondContact O-CB 3.17Å; N263-Q267 PolarHBondContact O-N 2.96Å; L264-Q267 PolarHBondContact O-N 3.35Å; L265-Q267 VanDerWaalsContact C-N 3.28Å; L265-Q267 PolarHBondContact O-N 2.92Å; Q267-I269 PolarHBondContact O-N 3.5Å; Q267-Q270 PolarHBondContact O-N 3.48Å; Q267-Q270 VanDerWaalsContact O-N 3.13Å; Q267-V271 WeakPolarHBondContact O-CG2 3.4Å; Q267-V271 PolarHBondContact O-N 2.9Å |
| 268 | Q | 81.4 | Confident | 75.8 | Confident | 118 Ų | 118 | 117.4 Ų | 117.4 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -57.8 | -44.7 | 174 | -74.5 | -178.5 | 3.3 | 0 | 0 | 112.5 | L264 L265 Q270 V271 Q272 | L264-Q268 WeakPolarHBondContact O-CG 3.12Å; L264-Q268 PolarHBondContact O-N 3.17Å; L265-Q268 PolarHBondContact O-N 3.44Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 2.7Å; Q268-V271 PolarHBondContact O-N 3.21Å; Q268-Q272 WeakPolarHBondContact O-CB 3.26Å; Q268-Q272 PolarHBondContact O-N 2.92Å |
| 269 | I | 80.4 | Confident | 73.3 | Confident | 112 Ų | 112 | 120.5 Ų | 120.5 | 57% | 0.574 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.7 | -35.8 | 176.6 | -67.6 | 164.1 | 0 | 0 | 0 | 111 | L265 Q266 Q267 G273 | L265-I269 VanDerWaalsContact O-CG1 3.28Å; L265-I269 WeakPolarHBondContact O-CG1 3.29Å; L265-I269 PolarHBondContact O-N 2.97Å; Q266-I269 PolarHBondContact O-N 3.03Å; Q267-I269 PolarHBondContact O-N 3.5Å; I269-G273 WeakPolarHBondContact O-CA 3.35Å; I269-G273 PolarHBondContact O-N 3.4Å |
| 270 | Q | 75.3 | Confident | 71.4 | Confident | 143 Ų | 143 | 121.7 Ų | 121.7 | 67% | 0.668 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.6 | -34.5 | 175.5 | -75.5 | 176.9 | -0.9 | 0 | 0 | 113.4 | Q266 Q267 Q268 | Q266-Q270 WeakPolarHBondContact O-CB 3.47Å; Q266-Q270 WeakPolarHBondContact O-CG 3.42Å; Q266-Q270 PolarHBondContact O-N 2.92Å; Q267-Q270 PolarHBondContact O-N 3.48Å; Q267-Q270 VanDerWaalsContact O-N 3.13Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 2.7Å |
| 271 | V | 68.8 | Low | 69.4 | Low | 113 Ų | 113 | 119.9 Ų | 119.9 | 69% | 0.685 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.4 | -37 | 173.6 | -146.3 | 0 | 0 | 0 | 0 | 111.7 | Q267 Q268 | Q267-V271 WeakPolarHBondContact O-CG2 3.4Å; Q267-V271 PolarHBondContact O-N 2.9Å; Q268-V271 PolarHBondContact O-N 3.21Å |
| 272 | Q | 57.8 | Low | 67.2 | Low | 158 Ų | 158 | 120.5 Ų | 120.5 | 74% | 0.738 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -81.4 | -23.3 | -179.5 | -169.6 | 166.9 | 82.7 | 0 | 0 | 113.1 | Q268 Q274 | Q268-Q272 WeakPolarHBondContact O-CB 3.26Å; Q268-Q272 PolarHBondContact O-N 2.92Å; Q272-Q274 PolarHBondContact O-N 2.91Å |
| 273 | G | 58.6 | Low | 65.2 | Low | 60 Ų | 60 | 124.4 Ų | 124.4 | 62% | 0.619 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -9.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I269 L275 | I269-G273 WeakPolarHBondContact O-CA 3.35Å; I269-G273 PolarHBondContact O-N 3.4Å; G273-L275 PolarHBondContact O-N 3.13Å |
| 274 | Q | 48.8 | Very low | 63.3 | Low | 172 Ų | 172 | 125.6 Ų | 125.6 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -85.9 | 43 | 170.1 | -66 | -165.8 | 0.8 | 0 | 0 | 112.8 | Q272 | Q272-Q274 PolarHBondContact O-N 2.91Š| ||
| 275 | L | 49.9 | Very low | 61.3 | Low | 139 Ų | 139 | 127.7 Ų | 127.7 | 73% | 0.728 | 69% | 0.694 | S | S | * | * | trans | -74.8 | 123.7 | 157.1 | -87.6 | 162.2 | 0 | 0 | 0 | 107.9 | G273 | G273-L275 PolarHBondContact O-N 3.13Š| ||
| 276 | P | 52.5 | Low | 58.8 | Low | 95 Ų | 95 | 129.1 Ų | 129.1 | 62% | 0.617 | 70% | 0.702 | S | S | * | * | trans | -62 | 145.2 | 177.2 | 27 | -34.1 | 0 | 0 | 0 | 109.7 | L278 | P276-L278 PolarHBondContact O-N 3.06Š| ||
| 277 | P | 55.5 | Low | 56.4 | Low | 127 Ų | 127 | 131.8 Ų | 131.8 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | trans | -63.9 | 102.7 | -178.6 | 26.1 | -34 | 0 | 0 | 0 | 110 | M279 | P277-M279 PolarHBondContact O-N 2.92Š| ||
| 278 | L | 51.9 | Low | 54.2 | Low | 151 Ų | 151 | 137.2 Ų | 137.2 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -60 | 123.8 | 170.8 | -67.9 | 176.1 | 0 | 0 | 0 | 108.1 | P276 I280 | P276-L278 PolarHBondContact O-N 3.06Å; L278-I280 VanDerWaalsContact C-N 3.34Å; L278-I280 PolarHBondContact O-N 3.13Å | ||
| 279 | M | 42.7 | Very low | 52.3 | Low | 181 Ų | 181 | 136.7 Ų | 136.7 | 89% | 0.892 | 73% | 0.734 | S | S | * | * | trans | -68.6 | 91.4 | 179.6 | -76.2 | -147.3 | 71 | 0 | 0 | 110.8 | P277 P281 | P277-M279 PolarHBondContact O-N 2.92Å; M279-P281 WeakPolarHBondContact O-CD 3.45Å | ||
| 280 | I | 52.4 | Low | 50.3 | Low | 140 Ų | 140 | 140.2 Ų | 140.2 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -66.5 | 123 | 164.6 | -59.6 | 175.7 | 0 | 0 | 0 | 107.2 | L278 V282 | L278-I280 VanDerWaalsContact C-N 3.34Å; L278-I280 PolarHBondContact O-N 3.13Å; I280-V282 PolarHBondContact O-N 3.47Å | ||
| 281 | P | 49.8 | Very low | 48.5 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | trans | -61.6 | 120.3 | 175.7 | -23.1 | 34.6 | 0 | 0 | 0 | 110.6 | M279 F283 | M279-P281 WeakPolarHBondContact O-CD 3.45Å; P281-F283 HydrophobicContact CB-CD2 4.49Å; P281-F283 HydrophobicContact CB-CE2 4.25Å; P281-F283 PolarHBondContact O-N 2.86Å | ||
| 282 | V | 46.6 | Very low | 47.1 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -73.7 | 96.1 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | I280 | I280-V282 PolarHBondContact O-N 3.47Š| ||
| 283 | F | 49 | Very low | 46 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 77% | 0.772 | 76% | 0.761 | S | S | * | * | trans | -68.3 | 132.7 | 168.5 | -82.3 | -89.4 | 0 | 0 | 0 | 109.8 | P281 | P281-F283 HydrophobicContact CB-CD2 4.49Å; P281-F283 HydrophobicContact CB-CE2 4.25Å; P281-F283 PolarHBondContact O-N 2.86Å | ||
| 284 | P | 52.9 | Low | 45.1 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -62.5 | 135.8 | 178.9 | -23.2 | 34 | 0 | 0 | 0 | 111.9 | D286 | P284-D286 PolarHBondContact O-N 3.42Å; P284-D286 VanDerWaalsContact O-N 3.15Å | ||
| 285 | P | 48.9 | Very low | 44.9 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -83.6 | 88.4 | 179.9 | 33.1 | -33.7 | 0 | 0 | 0 | 110.6 | ||||
| 286 | D | 37.7 | Very low | 44.6 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | -150.2 | 145.5 | 167.7 | -148.7 | 5.1 | 0 | 0 | 0 | 115.6 | P284 | P284-D286 PolarHBondContact O-N 3.42Å; P284-D286 VanDerWaalsContact O-N 3.15Å | ||
| 287 | Q | 37.4 | Very low | 43.8 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | 38.6 | 99.4 | 163.8 | -72.1 | 164.4 | 72 | 0 | 0 | 120 | ||||
| 288 | R | 40.6 | Very low | 43.2 | Very low | 239 Ų | 239 | 139.3 Ų | 139.3 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | 179.7 | 145.4 | 118.5 | -98.8 | 157.1 | -166.5 | -165.7 | 3.6 | 115.7 | |||||
| 289 | T | 40 | Very low | 42.7 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | 54.3 | 104 | 145.6 | -49.5 | 0 | 0 | 0 | 0 | 117.6 | A291 | T289-A291 HydrophobicContact CG2-CB 4.04Š| ||
| 290 | L | 39.6 | Very low | 42.9 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 97% | 0.974 | 77% | 0.77 | S | S | * | * | 50.1 | 58.5 | 56.8 | -78.6 | 170.1 | 0 | 0 | 0 | 115 | |||||
| 291 | A | 36.7 | Very low | 42.5 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | trans | -153.8 | 151.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112 | T289 | T289-A291 HydrophobicContact CG2-CB 4.04Š| ||
| 292 | A | 40.6 | Very low | 42 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 42.8 | 106 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 293 | A | 33.3 | Very low | 41.6 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | cis | 60.8 | 125.9 | 19.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 294 | A | 41.2 | Very low | 41.4 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 97.7 | 142.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 295 | Q | 44.2 | Very low | 40.4 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 76.6 | 134.8 | 167.5 | -52.8 | -174.6 | 30.2 | 0 | 0 | 119.3 | ||||
| 296 | Q | 42.6 | Very low | 39.9 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | cis | -167.8 | 138.5 | -35.2 | -125.3 | 170 | 8.9 | 0 | 0 | 111.6 | ||||
| 297 | G | 37.3 | Very low | 40.1 | Very low | 74 Ų | 74 | 141.1 Ų | 141.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 77.8 | 154.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 298 | F | 42 | Very low | 39.9 | Very low | 186 Ų | 186 | 138.9 Ų | 138.9 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | cis | -155.6 | 115.7 | -6.7 | -161.9 | -99 | 0 | 0 | 0 | 112.2 | ||||
| 299 | L | 41 | Very low | 39.6 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 62% | 0.623 | 79% | 0.793 | S | S | * | * | trans | 45.3 | 113.4 | 149.1 | -45.7 | -167.9 | 0 | 0 | 0 | 120.1 | ||||
| 300 | L | 46.5 | Very low | 39.2 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | 79.7 | 159.5 | 77.1 | -74 | 177.2 | 0 | 0 | 0 | 115 | |||||
| 301 | P | 45.1 | Very low | 38.9 | Very low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -136.7 | 169.2 | -29.1 | 37 | -21.1 | 0 | 0 | 0 | 114.6 | ||||
| 302 | P | 39.3 | Very low | 38.9 | Very low | 131 Ų | 131 | 131 Ų | 131 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -101.3 | 146.4 | 163 | 36.4 | -29.9 | 0 | 0 | 0 | 113.5 | ||||
| 303 | G | 37.2 | Very low | 38.9 | Very low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 132.8 | 126 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 304 | F | 45.9 | Very low | 39.4 | Very low | 206 Ų | 206 | 137.6 Ų | 137.6 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -153.9 | 146.5 | 148.3 | -103.2 | -73.9 | 0 | 0 | 0 | 108.6 | ||||
| 305 | S | 31.5 | Very low | 39.5 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -158 | 122.3 | -178.6 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 306 | Y | 39 | Very low | 39.4 | Very low | 207 Ų | 207 | 136.5 Ų | 136.5 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -150.1 | 112.6 | 170 | -87.1 | -70.6 | 0 | 0 | 0 | 113.7 | ||||
| 307 | K | 40.6 | Very low | 39.2 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 35.5 | 109.3 | 147.7 | -63.1 | -168.5 | 175 | -173.2 | 0 | 121.9 | ||||
| 308 | A | 33.8 | Very low | 39 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | 42.9 | 118.4 | 117.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 309 | G | 33.9 | Very low | 39 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -157.9 | 154.3 | 165 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 310 | C | 31.4 | Very low | 39.1 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -78.8 | 166 | -166 | -146.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 311 | S | 34.9 | Very low | 38.7 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | 43.4 | 113.3 | 155 | 54.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 312 | D | 36.7 | Very low | 38.8 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | -174.5 | 151.3 | 68.3 | -115.7 | -44.3 | 0 | 0 | 0 | 112.2 | |||||
| 313 | P | 39.3 | Very low | 39 | Very low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -133.6 | 110.5 | 166.5 | 35.6 | -18.4 | 0 | 0 | 0 | 114.8 | ||||
| 314 | Y | 43.2 | Very low | 39.1 | Very low | 214 Ų | 214 | 140 Ų | 140 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -147.7 | 152.2 | 172.8 | -96.4 | -89.4 | 0 | 0 | 0 | 110.5 | ||||
| 315 | P | 44.2 | Very low | 38.9 | Very low | 101 Ų | 101 | 135 Ų | 135 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | cis | -124.5 | 150.8 | -49.7 | 34.4 | -20.7 | 0 | 0 | 0 | 112 | ||||
| 316 | V | 42.1 | Very low | 39.5 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 133.5 | 171.8 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 317 | Q | 37.4 | Very low | 39.7 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 158.5 | -171.5 | -76.7 | -80.4 | 50.8 | 0 | 0 | 114.9 | ||
| 318 | L | 34.5 | Very low | 39.8 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68 | 136.1 | -172 | -65.8 | 73.3 | 0 | 0 | 0 | 114.1 | ||
| 319 | I | 41.1 | Very low | 40.3 | Very low | 155 Ų | 155 | 124.6 Ų | 124.6 | 80% | 0.795 | 79% | 0.79 | S | S | * | * | trans | -135.1 | 123.2 | 146.2 | -57.3 | -177.9 | 0 | 0 | 0 | 107.4 | T321 | I319-T321 PolarHBondContact O-N 3.42Š| ||
| 320 | P | 44.4 | Very low | 41.3 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -68.4 | 124.2 | -174.9 | -24 | 35.3 | 0 | 0 | 0 | 114.9 | T322 | P320-T322 PolarHBondContact O-N 2.85Š| ||
| 321 | T | 37.7 | Very low | 42 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 100.9 | 176.6 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | I319 A324 | I319-T321 PolarHBondContact O-N 3.42Å; T321-A324 HydrophobicContact CG2-CB 4.38Å | ||
| 322 | T | 45.9 | Very low | 42.8 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -130.7 | 8.4 | 171.2 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | P320 | P320-T322 PolarHBondContact O-N 2.85Š| ||
| 323 | M | 43.5 | Very low | 43.8 | Very low | 176 Ų | 176 | 123 Ų | 123 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -132.5 | 65 | -179.9 | -65.8 | -164.3 | 71.8 | 0 | 0 | 113.4 | ||
| 324 | A | 40.6 | Very low | 45.3 | Very low | 89 Ų | 89 | 119.1 Ų | 119.1 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -138.8 | -6.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | T321 | T321-A324 HydrophobicContact CG2-CB 4.38Š|
| 325 | A | 41.5 | Very low | 46.5 | Very low | 101 Ų | 101 | 114.4 Ų | 114.4 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -106.9 | -10.5 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 326 | A | 44 | Very low | 47.7 | Very low | 101 Ų | 101 | 115.3 Ų | 115.3 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -99.6 | -9.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 327 | A | 42.5 | Very low | 49.2 | Very low | 108 Ų | 108 | 113.4 Ų | 113.4 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -94.4 | -1.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 328 | A | 44.1 | Very low | 51 | Low | 102 Ų | 102 | 111.2 Ų | 111.2 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -103.7 | 4.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 329 | A | 44.3 | Very low | 53.1 | Low | 84 Ų | 84 | 110.8 Ų | 110.8 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -127 | 26.7 | -159.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 330 | T | 53.9 | Low | 54.8 | Low | 109 Ų | 109 | 109.1 Ų | 109.1 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | trans | -162.1 | 104.7 | 161.4 | 0.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 331 | P | 46.6 | Very low | 56.4 | Low | 136 Ų | 136 | 109.5 Ų | 109.5 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 124.1 | 167.9 | 31.1 | -30.8 | 0 | 0 | 0 | 110.3 | ||
| 332 | G | 51.7 | Low | 58.2 | Low | 78 Ų | 78 | 107.8 Ų | 107.8 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.9 | -5.6 | 171 | 0 | 0 | 0 | 0 | 0 | 117.2 | G334 | G332-G334 PolarHBondContact O-N 2.9Å; G332-G334 VanDerWaalsContact O-N 3.16Å |
| 333 | L | 56.5 | Low | 59.5 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 48% | 0.482 | 67% | 0.666 | S | S | . | * | trans | -72.8 | 107.1 | 176.9 | -70.4 | 171.8 | 0 | 0 | 0 | 111.2 | Q337 | L333-Q337 HydrophobicContact CD2-CB 4.12Å; L333-Q337 VanDerWaalsContact CD2-OE1 3.32Å | ||
| 334 | G | 72.3 | Confident | 61.1 | Low | 34 Ų | 34 | 98.6 Ų | 98.6 | 35% | 0.351 | 65% | 0.648 | S | S | . | * | trans | -62.1 | 159.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G332 L336 Q337 L338 | G332-G334 PolarHBondContact O-N 2.9Å; G332-G334 VanDerWaalsContact O-N 3.16Å; G334-L336 PolarHBondContact O-N 3.29Å; G334-Q337 PolarHBondContact O-N 2.87Å; G334-L338 PolarHBondContact O-N 3.11Å | ||
| 335 | P | 68.2 | Low | 62.6 | Low | 114 Ų | 114 | 99.5 Ų | 99.5 | 74% | 0.74 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -58.5 | -28.2 | -168.3 | 21.7 | -33.9 | 0 | 0 | 0 | 114.3 | L338 Q339 | P335-L338 PolarHBondContact O-N 3.45Å; P335-Q339 WeakPolarHBondContact O-CB 3.27Å; P335-Q339 PolarHBondContact O-N 2.64Å |
| 336 | L | 69.1 | Low | 64 | Low | 120 Ų | 120 | 97.7 Ų | 97.7 | 63% | 0.628 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.4 | -32.4 | 176.5 | -167.2 | 133.2 | 0 | 0 | 0 | 112.9 | G334 Q340 | G334-L336 PolarHBondContact O-N 3.29Å; L336-Q340 WeakPolarHBondContact O-CG 3.49Å; L336-Q340 PolarHBondContact O-N 2.93Å |
| 337 | Q | 72.9 | Confident | 64.9 | Low | 109 Ų | 109 | 95.5 Ų | 95.5 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -76.9 | -36.7 | 173.1 | -69.7 | -163.7 | 57.5 | 0 | 0 | 111.7 | L333 G334 Q339 Q340 L341 | L333-Q337 HydrophobicContact CD2-CB 4.12Å; L333-Q337 VanDerWaalsContact CD2-OE1 3.32Å; G334-Q337 PolarHBondContact O-N 2.87Å; Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 3.38Å; Q337-Q340 PolarHBondContact O-N 2.95Å; Q337-L341 WeakPolarHBondContact O-CB 3.39Å; Q337-L341 PolarHBondContact O-N 2.94Å |
| 338 | L | 76.6 | Confident | 65.7 | Low | 115 Ų | 115 | 93.4 Ų | 93.4 | 60% | 0.602 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.3 | -41.4 | 171.9 | -174.2 | 66.2 | 0 | 0 | 0 | 111.3 | G334 P335 L341 Y342 | G334-L338 PolarHBondContact O-N 3.11Å; P335-L338 PolarHBondContact O-N 3.45Å; L338-L341 PolarHBondContact O-N 3.05Å; L338-Y342 WeakPolarHBondContact O-CB 3.36Å; L338-Y342 PolarHBondContact O-N 3.11Å |
| 339 | Q | 77.6 | Confident | 66.5 | Low | 141 Ų | 141 | 95.9 Ų | 95.9 | 66% | 0.659 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.8 | -33.7 | 175.7 | -172.9 | 156.6 | 76.6 | 0 | 0 | 113 | P335 Q337 A343 | P335-Q339 WeakPolarHBondContact O-CB 3.27Å; P335-Q339 PolarHBondContact O-N 2.64Å; Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 3.38Å; Q339-A343 VanDerWaalsContact O-CB 3.28Å; Q339-A343 WeakPolarHBondContact O-CB 3.24Å; Q339-A343 PolarHBondContact O-N 2.76Å |
| 340 | Q | 77.6 | Confident | 67.1 | Low | 119 Ų | 119 | 98.7 Ų | 98.7 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.2 | -40.2 | 170.4 | -77.1 | 179.6 | 13.4 | 0 | 0 | 112.4 | L336 Q337 A343 A344 | L336-Q340 WeakPolarHBondContact O-CG 3.49Å; L336-Q340 PolarHBondContact O-N 2.93Å; Q337-Q340 PolarHBondContact O-N 2.95Å; Q340-A343 PolarHBondContact O-N 3.21Å; Q340-A344 VanDerWaalsContact O-CB 3.31Å; Q340-A344 WeakPolarHBondContact O-CB 3.46Å; Q340-A344 PolarHBondContact O-N 2.87Å |
| 341 | L | 77.9 | Confident | 66.9 | Low | 116 Ų | 116 | 98.4 Ų | 98.4 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.7 | -43.2 | 176.8 | -161.4 | 79.9 | 0 | 0 | 0 | 111 | Q337 L338 A344 Q345 | Q337-L341 WeakPolarHBondContact O-CB 3.39Å; Q337-L341 PolarHBondContact O-N 2.94Å; L338-L341 PolarHBondContact O-N 3.05Å; L341-A344 PolarHBondContact O-N 2.8Å; L341-Q345 WeakPolarHBondContact O-CB 3.2Å; L341-Q345 PolarHBondContact O-N 3.03Å |
| 342 | Y | 75.3 | Confident | 66.9 | Low | 91 Ų | 91 | 97.3 Ų | 97.3 | 36% | 0.357 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.3 | -41.5 | 175.1 | -173.9 | -117.9 | 0 | 0 | 0 | 112.4 | Q245 L338 Q345 L346 | Q245-Y342 PolarHBondContact NE2-OH 2.94Å; Q245-Y342 PolarHBondContact OE1-OH 3.18Å; Q245-Y342 VanDerWaalsContact OE1-OH 3.05Å; L338-Y342 WeakPolarHBondContact O-CB 3.36Å; L338-Y342 PolarHBondContact O-N 3.11Å; Y342-Q345 PolarHBondContact O-N 2.95Å; Y342-L346 HydrophobicContact CD1-CD1 4.01Å; Y342-L346 HydrophobicContact CE1-CD1 3.77Å; Y342-L346 WeakPolarHBondContact O-CG 3.45Å; Y342-L346 PolarHBondContact O-N 3.44Å |
| 343 | A | 73.4 | Confident | 66.8 | Low | 54 Ų | 54 | 99.9 Ų | 99.9 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -37.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q339 Q340 L346 A347 | Q339-A343 VanDerWaalsContact O-CB 3.28Å; Q339-A343 WeakPolarHBondContact O-CB 3.24Å; Q339-A343 PolarHBondContact O-N 2.76Å; Q340-A343 PolarHBondContact O-N 3.21Å; A343-L346 PolarHBondContact O-N 3.14Å; A343-A347 WeakPolarHBondContact O-CB 3.5Å; A343-A347 PolarHBondContact O-N 3.44Å |
| 344 | A | 75.5 | Confident | 65.9 | Low | 58 Ų | 58 | 99.4 Ų | 99.4 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67 | -37.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q340 L341 A347 A348 | Q340-A344 VanDerWaalsContact O-CB 3.31Å; Q340-A344 WeakPolarHBondContact O-CB 3.46Å; Q340-A344 PolarHBondContact O-N 2.87Å; L341-A344 PolarHBondContact O-N 2.8Å; A344-A347 PolarHBondContact O-N 3.47Å; A344-A348 WeakPolarHBondContact O-CB 3.33Å; A344-A348 PolarHBondContact O-N 3.06Å |
| 345 | Q | 73.2 | Confident | 64.2 | Low | 108 Ų | 108 | 100.9 Ų | 100.9 | 51% | 0.505 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.3 | -43.7 | 173.5 | -168.2 | 171.8 | 19.2 | 0 | 0 | 111.7 | L341 Y342 A347 A348 M349 | L341-Q345 WeakPolarHBondContact O-CB 3.2Å; L341-Q345 PolarHBondContact O-N 3.03Å; Y342-Q345 PolarHBondContact O-N 2.95Å; Q345-A347 VanDerWaalsContact C-N 3.28Å; Q345-A347 PolarHBondContact O-N 3.4Å; Q345-A348 PolarHBondContact O-N 3.34Å; Q345-M349 WeakPolarHBondContact O-CG 3.48Å; Q345-M349 PolarHBondContact O-N 3.31Å |
| 346 | L | 70 | Confident | 62.8 | Low | 62 Ų | 62 | 105.4 Ų | 105.4 | 33% | 0.325 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.9 | -26.8 | 174 | -72 | 170.8 | 0 | 0 | 0 | 113.5 | Y342 A343 Q350 | Y342-L346 HydrophobicContact CD1-CD1 4.01Å; Y342-L346 HydrophobicContact CE1-CD1 3.77Å; Y342-L346 WeakPolarHBondContact O-CG 3.45Å; Y342-L346 PolarHBondContact O-N 3.44Å; A343-L346 PolarHBondContact O-N 3.14Å; L346-Q350 PolarHBondContact O-NE2 2.97Å |
| 347 | A | 63.1 | Low | 61.5 | Low | 56 Ų | 56 | 108 Ų | 108 | 46% | 0.463 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -76.9 | -42.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A343 A344 Q345 M349 Q350 | A343-A347 WeakPolarHBondContact O-CB 3.5Å; A343-A347 PolarHBondContact O-N 3.44Å; A344-A347 PolarHBondContact O-N 3.47Å; Q345-A347 VanDerWaalsContact C-N 3.28Å; Q345-A347 PolarHBondContact O-N 3.4Å; A347-M349 VanDerWaalsContact C-N 3.32Å; A347-M349 PolarHBondContact O-N 2.99Å; A347-Q350 PolarHBondContact O-N 2.85Å; A347-Q350 VanDerWaalsContact O-N 3.09Å |
| 348 | A | 60.1 | Low | 60 | Low | 64 Ų | 64 | 108.1 Ų | 108.1 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.8 | -36.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A344 Q345 Q350 V351 | A344-A348 WeakPolarHBondContact O-CB 3.33Å; A344-A348 PolarHBondContact O-N 3.06Å; Q345-A348 PolarHBondContact O-N 3.34Å; A348-Q350 PolarHBondContact O-N 3.05Å; A348-V351 WeakPolarHBondContact O-CG2 3.33Å; A348-V351 PolarHBondContact O-N 3.48Å |
| 349 | M | 60.6 | Low | 57.7 | Low | 154 Ų | 154 | 106.4 Ų | 106.4 | 76% | 0.759 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -7.3 | 174.7 | -71.2 | -177.7 | 70.7 | 0 | 0 | 114.4 | Q345 A347 | Q345-M349 WeakPolarHBondContact O-CG 3.48Å; Q345-M349 PolarHBondContact O-N 3.31Å; A347-M349 VanDerWaalsContact C-N 3.32Å; A347-M349 PolarHBondContact O-N 2.99Å |
| 350 | Q | 56.3 | Low | 56 | Low | 142 Ų | 142 | 107 Ų | 107 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 8.3 | 177.2 | -73.6 | 177.7 | 87.1 | 0 | 0 | 113.7 | L346 A347 A348 | L346-Q350 PolarHBondContact O-NE2 2.97Å; A347-Q350 PolarHBondContact O-N 2.85Å; A347-Q350 VanDerWaalsContact O-N 3.09Å; A348-Q350 PolarHBondContact O-N 3.05Å |
| 351 | V | 50.4 | Low | 54 | Low | 104 Ų | 104 | 107 Ų | 107 | 63% | 0.63 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -118.7 | 80.4 | 179.7 | -71.9 | 0 | 0 | 0 | 0 | 113.7 | A348 | A348-V351 WeakPolarHBondContact O-CG2 3.33Å; A348-V351 PolarHBondContact O-N 3.48Å |
| 352 | S | 45.9 | Very low | 51.8 | Low | 112 Ų | 112 | 111.3 Ų | 111.3 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | trans | 72.3 | 164 | 160.1 | -46.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 353 | P | 51 | Low | 50 | Low | 133 Ų | 133 | 110.8 Ų | 110.8 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | -130.4 | 101.6 | 68.8 | 33.5 | -17.1 | 0 | 0 | 0 | 113.5 | G355 | P353-G355 PolarHBondContact O-N 3.37Š| |||
| 354 | G | 37.2 | Very low | 48.1 | Very low | 82 Ų | 82 | 115.3 Ų | 115.3 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | trans | -87.8 | 89.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 355 | G | 36.2 | Very low | 46.3 | Very low | 65 Ų | 65 | 120.1 Ų | 120.1 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | trans | 137.3 | 98.3 | 170 | 0 | 0 | 0 | 0 | 0 | 115.4 | P353 | P353-G355 PolarHBondContact O-N 3.37Š| ||
| 356 | K | 39.2 | Very low | 44.4 | Very low | 209 Ų | 209 | 118.4 Ų | 118.4 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | 178.7 | 113.2 | 149.4 | -101.4 | 157.8 | -174.1 | 177.8 | 0 | 109.6 | ||||
| 357 | L | 41.6 | Very low | 42.8 | Very low | 175 Ų | 175 | 120.6 Ų | 120.6 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -128.7 | 151.6 | 153.2 | -80.8 | 177.3 | 0 | 0 | 0 | 108.1 | ||||
| 358 | P | 40.8 | Very low | 41.7 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | trans | -97.6 | 151.6 | -148.4 | 36.2 | -35.5 | 0 | 0 | 0 | 114.5 | ||||
| 359 | G | 30.1 | Very low | 40.9 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -89.6 | 136.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 360 | I | 40.3 | Very low | 39.6 | Very low | 153 Ų | 153 | 123.3 Ų | 123.3 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -146.6 | 157.9 | 168.1 | -3.7 | 176.6 | 0 | 0 | 0 | 107.5 | ||||
| 361 | P | 36.2 | Very low | 39 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | -111.3 | 179.1 | -91.8 | 38.8 | -30.5 | 0 | 0 | 0 | 113.5 | G363 | P361-G363 PolarHBondContact O-N 2.95Š| |||
| 362 | Q | 31.9 | Very low | 38.3 | Very low | 205 Ų | 205 | 123.2 Ų | 123.2 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | -62.7 | 129.9 | 178.3 | -64.8 | 179.6 | -88.9 | 0 | 0 | 112.7 | ||||
| 363 | G | 37.2 | Very low | 37.7 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -119.3 | 141.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P361 | P361-G363 PolarHBondContact O-N 2.95Š| ||
| 364 | N | 32.8 | Very low | 37.3 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -101.4 | 170.5 | -174.3 | -170.3 | 28.2 | 0 | 0 | 0 | 112 | ||||
| 365 | L | 38.4 | Very low | 37.4 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 76.8 | 134.1 | 177.8 | -43.6 | 172.5 | 0 | 0 | 0 | 114.3 | ||||
| 366 | G | 34 | Very low | 37.5 | Very low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | cis | 149.6 | 114.1 | -13.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 367 | A | 36.6 | Very low | 37.3 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | 64.7 | 153.1 | 176 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 368 | A | 38 | Very low | 37.2 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | cis | -161.1 | 171.2 | -14.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 369 | V | 43.7 | Very low | 37.1 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 52.6 | 112.4 | 158.7 | -67.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 370 | S | 34.8 | Very low | 37.3 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | 38.3 | 148.4 | 125.2 | -53.9 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 371 | P | 43.3 | Very low | 37.1 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -103.2 | 178.2 | -171.2 | 42.3 | -38.1 | 0 | 0 | 0 | 115.3 | ||||
| 372 | T | 35.5 | Very low | 37.1 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | 161.2 | 145.8 | 126.5 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 373 | S | 32.6 | Very low | 37.5 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 69.8 | 160.5 | 171.1 | -107.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 374 | I | 41.9 | Very low | 37.8 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | cis | -145.4 | 171.9 | 13.8 | 14.7 | 172.2 | 0 | 0 | 0 | 111.5 | ||||
| 375 | H | 39.3 | Very low | 38.1 | Very low | 163 Ų | 163 | 125.3 Ų | 125.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -21.1 | 159.2 | 165.1 | -56.9 | -88.6 | 0 | 0 | 0 | 119 | ||||
| 376 | T | 38.3 | Very low | 38.1 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -165.8 | 170 | 41.5 | -28 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 377 | D | 35.4 | Very low | 38.3 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -65.9 | 162.6 | -179.3 | -47.9 | -106.5 | 0 | 0 | 0 | 116.8 | ||||
| 378 | K | 40.3 | Very low | 38.8 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | 162.6 | 144.9 | 109.3 | -173.6 | 161.5 | -179 | 176.2 | 0 | 115.8 | |||||
| 379 | S | 38.2 | Very low | 38.9 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | trans | 70.2 | 87.1 | 159.2 | -77.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 380 | T | 34.4 | Very low | 39 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | 37.5 | 137.2 | 111.6 | 59.5 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 381 | N | 36.9 | Very low | 39.2 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | 98 | 108.3 | 148.7 | -68.5 | 3 | 0 | 0 | 0 | 121.3 | ||||
| 382 | S | 35.9 | Very low | 39.3 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -72.8 | 179.5 | 145.7 | -129.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 383 | P | 39.8 | Very low | 39.5 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | cis | -139.6 | -138.1 | 32.2 | 31.9 | -3.6 | 0 | 0 | 0 | 114.2 | ||||
| 384 | P | 43.2 | Very low | 40.2 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | -115.6 | 172.7 | -92.8 | 37.6 | -21.8 | 0 | 0 | 0 | 114.6 | |||||
| 385 | P | 39.7 | Very low | 40.2 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -89.6 | 167.1 | -168.8 | 35.9 | -37.2 | 0 | 0 | 0 | 116.1 | ||||
| 386 | K | 38.7 | Very low | 40.1 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -143.9 | 131.4 | 168.8 | -77 | -168 | 175.2 | -175.6 | 0 | 113.9 | ||||
| 387 | S | 36.9 | Very low | 40.1 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 33.2 | 126.4 | 145.9 | 62.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 388 | K | 48.8 | Very low | 40.2 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -155.3 | 138 | 135.2 | -163.6 | 171.4 | -179.2 | -176.8 | 0 | 113 | ||||
| 389 | D | 39.9 | Very low | 40.3 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -79.5 | 157.4 | 179.4 | -50 | -108.7 | 0 | 0 | 0 | 114.7 | ||||
| 390 | E | 45.1 | Very low | 40.3 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | -167.7 | 128.7 | 106.5 | -106.8 | -160.5 | 76.2 | 0 | 0 | 115.4 | |||||
| 391 | V | 40 | Very low | 40.8 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 44.2 | 112.6 | 137.9 | -179 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 392 | A | 44.4 | Very low | 40.7 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -166.2 | 132 | 118.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 393 | Q | 39.2 | Very low | 40.8 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -105.4 | -177.6 | 173.5 | -112.5 | -165.8 | 17.4 | 0 | 0 | 110.6 | ||||
| 394 | P | 47.6 | Very low | 40.9 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -131.3 | -162 | 17.7 | 30.7 | -5.6 | 0 | 0 | 0 | 113.5 | ||||
| 395 | L | 42.7 | Very low | 40.7 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 63% | 0.634 | 79% | 0.793 | S | S | * | * | cis | -157.5 | 138.6 | -42.8 | -93 | 167.4 | 0 | 0 | 0 | 106 | ||||
| 396 | N | 36.5 | Very low | 40.7 | Very low | 128 Ų | 128 | 140 Ų | 140 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | 52.1 | 141.9 | 94.1 | -77.8 | -114.5 | 0 | 0 | 0 | 117.5 | |||||
| 397 | L | 38 | Very low | 40.7 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | cis | -171.6 | 174.5 | -18.6 | -120.3 | -169.7 | 0 | 0 | 0 | 110.5 | ||||
| 398 | S | 38.9 | Very low | 40.8 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 98.9 | 122.2 | 143.7 | -147.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 399 | A | 40.3 | Very low | 40.7 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 78.7 | 154.5 | 136 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 400 | K | 40.1 | Very low | 40.7 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -119.4 | 167 | -169.2 | -130 | 169.6 | -171.1 | 166.8 | 0 | 109.1 | ||||
| 401 | P | 43.3 | Very low | 40.4 | Very low | 130 Ų | 130 | 133 Ų | 133 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | -153.6 | -165.7 | 85.8 | 39.1 | -17.5 | 0 | 0 | 0 | 116 | |||||
| 402 | K | 34.7 | Very low | 40.8 | Very low | 201 Ų | 201 | 132.4 Ų | 132.4 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -104.6 | 148.1 | -175.3 | -82.5 | -173.4 | 171.4 | -173.1 | 0 | 114.6 | ||||
| 403 | T | 38.8 | Very low | 40.6 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -165.6 | 167.1 | 154.7 | 28.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 404 | S | 42.5 | Very low | 40.6 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | cis | -169.6 | 132.6 | -41.4 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 405 | D | 37.6 | Very low | 40.6 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | 37.1 | 137.7 | 158.8 | -63.4 | -81.8 | 0 | 0 | 0 | 123.6 | ||||
| 406 | G | 40.2 | Very low | 40.4 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -169 | -3.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 407 | K | 39.4 | Very low | 40.5 | Very low | 213 Ų | 213 | 135.6 Ų | 135.6 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | 51 | 149.8 | 168.6 | -77.6 | 177.7 | 178 | 171.8 | 0 | 122.6 | ||||
| 408 | S | 38.2 | Very low | 40.6 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -106 | -162.7 | -170 | -11.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 409 | P | 47.6 | Very low | 40.4 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | cis | -140.7 | -161.5 | -29.7 | 33.1 | -10 | 0 | 0 | 0 | 114.5 | ||||
| 410 | T | 39.6 | Very low | 40.4 | Very low | 133 Ų | 133 | 136 Ų | 136 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | 118.6 | 164.9 | 149.5 | 71.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 411 | S | 37.8 | Very low | 40.2 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -155.3 | -162.6 | -168 | -42.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 412 | P | 48.9 | Very low | 40.1 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -134.5 | -160.8 | -18.4 | 40.8 | -21.6 | 0 | 0 | 0 | 113.1 | ||||
| 413 | T | 40.1 | Very low | 40.2 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | 144.8 | 158.5 | 139.4 | -60.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 414 | S | 39 | Very low | 40.1 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -151 | -163 | -178.6 | -152.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 415 | P | 48 | Very low | 39.8 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | cis | -134.3 | -173 | -19.4 | 43.8 | -27.3 | 0 | 0 | 0 | 114.2 | ||||
| 416 | H | 39.3 | Very low | 39.9 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -167.2 | 155.2 | 144.9 | -163.8 | -110 | 0 | 0 | 0 | 114.1 | ||||
| 417 | M | 38.8 | Very low | 40 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -157.4 | 150.8 | 173 | -83.4 | -75.5 | 166.6 | 0 | 0 | 109.3 | ||||
| 418 | P | 39.5 | Very low | 40.3 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | -149.7 | -175.2 | 119.8 | 34.8 | -14.8 | 0 | 0 | 0 | 115.4 | |||||
| 419 | A | 34.2 | Very low | 40.3 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -121.9 | -173.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 420 | L | 40 | Very low | 39.7 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | 153.3 | 156.4 | 154.3 | -83 | 165.8 | 0 | 0 | 0 | 109.8 | ||||
| 421 | R | 36.2 | Very low | 39.3 | Very low | 210 Ų | 210 | 130.5 Ų | 130.5 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -173.4 | 157.9 | -36 | -139.5 | -167.2 | -150.9 | -167.2 | 8.6 | 110 | ||||
| 422 | I | 41.4 | Very low | 39.3 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | 60.3 | 156.7 | 165.3 | 8.3 | -177.2 | 0 | 0 | 0 | 116.3 | ||||
| 423 | N | 37 | Very low | 38.9 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | cis | -152.6 | 167.1 | 15.2 | -174.2 | 44.6 | 0 | 0 | 0 | 115 | ||||
| 424 | S | 37.3 | Very low | 39.2 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -64 | 162 | -177.8 | -41.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 425 | G | 36.2 | Very low | 39.1 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -170.9 | 143 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 426 | A | 39.9 | Very low | 38.4 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | trans | -85.1 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 427 | G | 41.8 | Very low | 38.5 | Very low | 69 Ų | 69 | 129.2 Ų | 129.2 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | -178.6 | 174.6 | 3.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 428 | P | 44.8 | Very low | 38.5 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -114.7 | 147.8 | -157.8 | 39.3 | -31.7 | 0 | 0 | 0 | 117.8 | ||||
| 429 | L | 38.2 | Very low | 38.5 | Very low | 166 Ų | 166 | 125 Ų | 125 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -153.2 | 157.5 | 158.1 | -71.9 | -177.2 | 0 | 0 | 0 | 107.5 | ||||
| 430 | K | 35 | Very low | 39.2 | Very low | 196 Ų | 196 | 126.3 Ų | 126.3 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | cis | -145.6 | -163.6 | -2.8 | -146.3 | 176.5 | -178.7 | 179.6 | 0 | 108.7 | ||||
| 431 | A | 32.9 | Very low | 39.1 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -141 | 157.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 432 | S | 36.6 | Very low | 39.3 | Very low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -161.6 | 156.1 | 150.8 | -161.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 433 | V | 41.6 | Very low | 39.3 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -146.4 | 173.2 | -174 | -106.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 434 | P | 46.2 | Very low | 39.6 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -118.7 | 177.6 | -133.9 | 44.5 | -36.9 | 0 | 0 | 0 | 116.8 | ||||
| 435 | A | 36.4 | Very low | 39.6 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -159.6 | 164.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 436 | A | 34.3 | Very low | 39.9 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 63% | 0.628 | 81% | 0.813 | S | S | * | * | cis | -176 | 179.7 | -27.3 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 437 | L | 39.6 | Very low | 40 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | 68.5 | 153 | 174.4 | -54.6 | 113.6 | 0 | 0 | 0 | 116.3 | ||||
| 438 | A | 39.7 | Very low | 40.3 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | cis | -161.5 | 150.3 | -27.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 439 | S | 39.3 | Very low | 40.7 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 5.2 | 162.6 | 144.1 | -60 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 440 | P | 48.7 | Very low | 41.4 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | cis | -145.8 | -168.8 | -27.1 | 39.5 | -19.6 | 0 | 0 | 0 | 115.5 | ||||
| 441 | S | 38.4 | Very low | 42.4 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 83.7 | 102.1 | 143.3 | -179.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 442 | A | 40.7 | Very low | 44 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -146.8 | 157.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 443 | R | 40.4 | Very low | 45.9 | Very low | 243 Ų | 243 | 129.3 Ų | 129.3 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -111.6 | 127 | -172.1 | -46.2 | 174.7 | -164.8 | 164.1 | 3.5 | 112.3 | ||||
| 444 | V | 44.5 | Very low | 47.9 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | trans | -145.5 | 144.7 | 157.4 | -175.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 445 | S | 35.8 | Very low | 49.5 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | -88.2 | 128.5 | -174.9 | -49.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 446 | T | 42.2 | Very low | 51.6 | Low | 132 Ų | 132 | 124.7 Ų | 124.7 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | -140.8 | 131.7 | 156.6 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 447 | I | 43.8 | Very low | 54.1 | Low | 164 Ų | 164 | 123.3 Ų | 123.3 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -101.1 | 142.3 | -177.7 | -64.3 | 168.7 | 0 | 0 | 0 | 109.5 | ||||
| 448 | G | 46.8 | Very low | 56.5 | Low | 54 Ų | 54 | 121 Ų | 121 | 56% | 0.557 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 137 | -50 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 449 | Y | 53.2 | Low | 58.6 | Low | 199 Ų | 199 | 119.7 Ų | 119.7 | 78% | 0.78 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 11.9 | -151.6 | -68.1 | -79.1 | 0 | 0 | 0 | 117.8 | ||
| 450 | L | 52.3 | Low | 60.9 | Low | 152 Ų | 152 | 118.3 Ų | 118.3 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -25.7 | -178.2 | -80.7 | 165.5 | 0 | 0 | 0 | 114.6 | D452 | L450-D452 PolarHBondContact O-N 3.04Š|
| 451 | N | 56.6 | Low | 62.7 | Low | 128 Ų | 128 | 118.7 Ų | 118.7 | 68% | 0.684 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.2 | -27.3 | -173.1 | -69.9 | -3.7 | 0 | 0 | 0 | 113.9 | H453 D454 A455 | N451-H453 VanDerWaalsContact C-N 3.33Å; N451-H453 PolarHBondContact O-N 3.38Å; N451-D454 PolarHBondContact O-N 2.99Å; N451-A455 PolarHBondContact O-N 2.9Å |
| 452 | D | 66.5 | Low | 65.1 | Low | 103 Ų | 103 | 117.6 Ų | 117.6 | 55% | 0.551 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.4 | -29.2 | -173.3 | -68.4 | -40.5 | 0 | 0 | 0 | 113 | L450 A455 V456 | L450-D452 PolarHBondContact O-N 3.04Å; D452-A455 PolarHBondContact O-N 3.29Å; D452-V456 WeakPolarHBondContact O-CB 3.37Å; D452-V456 VanDerWaalsContact O-CG2 3.31Å; D452-V456 WeakPolarHBondContact O-CG2 3.45Å; D452-V456 PolarHBondContact O-N 2.93Å |
| 453 | H | 77.7 | Confident | 67.2 | Low | 144 Ų | 144 | 115.5 Ų | 115.5 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.9 | -40 | 177.1 | -165.5 | -64.3 | 0 | 0 | 0 | 111.6 | N451 T457 | N451-H453 VanDerWaalsContact C-N 3.33Å; N451-H453 PolarHBondContact O-N 3.38Å; H453-T457 PolarHBondContact ND1-OG1 2.79Å; H453-T457 VanDerWaalsContact O-CB 3.26Å; H453-T457 WeakPolarHBondContact O-CB 3.43Å; H453-T457 PolarHBondContact O-N 2.9Å; H453-T457 PolarHBondContact O-OG1 3.35Å |
| 454 | D | 82.3 | Confident | 69.6 | Low | 120 Ų | 120 | 112.6 Ų | 112.6 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.9 | -37.6 | 173.2 | -82.6 | -37.7 | 0 | 0 | 0 | 111.6 | N451 T457 K458 | N451-D454 PolarHBondContact O-N 2.99Å; D454-T457 PolarHBondContact O-N 3.32Å; D454-K458 VanDerWaalsContact O-CB 3.29Å; D454-K458 WeakPolarHBondContact O-CB 3.26Å; D454-K458 PolarHBondContact O-N 3.36Å |
| 455 | A | 80.8 | Confident | 71.8 | Confident | 55 Ų | 55 | 112 Ų | 112 | 46% | 0.455 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N451 D452 A459 | N451-A455 PolarHBondContact O-N 2.9Å; D452-A455 PolarHBondContact O-N 3.29Å; A455-A459 WeakPolarHBondContact O-CB 3.29Å; A455-A459 PolarHBondContact O-N 2.73Å |
| 456 | V | 79.4 | Confident | 74.3 | Confident | 85 Ų | 85 | 112.2 Ų | 112.2 | 52% | 0.515 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.4 | -40.6 | 175.4 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | D452 A459 I460 | D452-V456 WeakPolarHBondContact O-CB 3.37Å; D452-V456 VanDerWaalsContact O-CG2 3.31Å; D452-V456 WeakPolarHBondContact O-CG2 3.45Å; D452-V456 PolarHBondContact O-N 2.93Å; V456-A459 PolarHBondContact O-N 2.97Å; V456-I460 HydrophobicContact CG1-CD1 3.81Å; V456-I460 HydrophobicContact CG1-CG1 4.49Å; V456-I460 VanDerWaalsContact O-CG1 3.29Å; V456-I460 WeakPolarHBondContact O-CG1 3.47Å; V456-I460 PolarHBondContact O-N 3.48Å |
| 457 | T | 86.6 | Confident | 76.2 | Confident | 47 Ų | 47 | 113.2 Ų | 113.2 | 29% | 0.288 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65 | -43.3 | 178 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | H453 D454 I460 Q461 | H453-T457 PolarHBondContact ND1-OG1 2.79Å; H453-T457 VanDerWaalsContact O-CB 3.26Å; H453-T457 WeakPolarHBondContact O-CB 3.43Å; H453-T457 PolarHBondContact O-N 2.9Å; H453-T457 PolarHBondContact O-OG1 3.35Å; D454-T457 PolarHBondContact O-N 3.32Å; T457-I460 PolarHBondContact O-N 3.36Å; T457-Q461 WeakPolarHBondContact O-CG 3.45Å; T457-Q461 PolarHBondContact O-N 3.03Å |
| 458 | K | 90.6 | Very high | 78.1 | Confident | 125 Ų | 125 | 108.8 Ų | 108.8 | 54% | 0.543 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.8 | -47.6 | 172 | -178.1 | 177.9 | 179.8 | -70.6 | 0 | 111.2 | D454 I460 Q461 E462 | D454-K458 VanDerWaalsContact O-CB 3.29Å; D454-K458 WeakPolarHBondContact O-CB 3.26Å; D454-K458 PolarHBondContact O-N 3.36Å; K458-I460 VanDerWaalsContact C-N 3.29Å; K458-I460 PolarHBondContact O-N 2.69Å; K458-Q461 PolarHBondContact O-N 2.96Å; K458-Q461 VanDerWaalsContact O-N 3.1Å; K458-E462 IonicContact NZ-OE2 2.72Å; K458-E462 PolarHBondContact NZ-OE2 3.25Å; K458-E462 VanDerWaalsContact O-CB 3.28Å; K458-E462 WeakPolarHBondContact O-CB 3.33Å; K458-E462 PolarHBondContact O-N 2.99Å |
| 459 | A | 84 | Confident | 79.9 | Confident | 55 Ų | 55 | 110.9 Ų | 110.9 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.8 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A455 V456 A463 | A455-A459 WeakPolarHBondContact O-CB 3.29Å; A455-A459 PolarHBondContact O-N 2.73Å; V456-A459 PolarHBondContact O-N 2.97Å; A459-A463 VanDerWaalsContact O-CB 3.27Å; A459-A463 WeakPolarHBondContact O-CB 3.42Å; A459-A463 PolarHBondContact O-N 2.97Å |
| 460 | I | 86.6 | Confident | 81.2 | Confident | 85 Ų | 85 | 106.4 Ų | 106.4 | 44% | 0.436 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 174.6 | -69.1 | 166.8 | 0 | 0 | 0 | 111.6 | V456 T457 K458 R464 | V456-I460 HydrophobicContact CG1-CD1 3.81Å; V456-I460 HydrophobicContact CG1-CG1 4.49Å; V456-I460 VanDerWaalsContact O-CG1 3.29Å; V456-I460 WeakPolarHBondContact O-CG1 3.47Å; V456-I460 PolarHBondContact O-N 3.48Å; T457-I460 PolarHBondContact O-N 3.36Å; K458-I460 VanDerWaalsContact C-N 3.29Å; K458-I460 PolarHBondContact O-N 2.69Å; I460-R464 VanDerWaalsContact O-CG 3.24Å; I460-R464 WeakPolarHBondContact O-CG 3.45Å; I460-R464 PolarHBondContact O-N 3.18Å; I460-R464 VanDerWaalsContact O-N 3.11Å |
| 461 | Q | 87.7 | Confident | 82.7 | Confident | 127 Ų | 127 | 105.6 Ų | 105.6 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.3 | -42.3 | 174.3 | -71.6 | 179.9 | 14.2 | 0 | 0 | 111.9 | T457 K458 R464 Q465 | T457-Q461 WeakPolarHBondContact O-CG 3.45Å; T457-Q461 PolarHBondContact O-N 3.03Å; K458-Q461 PolarHBondContact O-N 2.96Å; K458-Q461 VanDerWaalsContact O-N 3.1Å; Q461-R464 WeakPolarHBondContact O-CB 3.49Å; Q461-R464 PolarHBondContact O-N 3.11Å; Q461-Q465 PolarHBondContact O-N 3.44Å |
| 462 | E | 88.7 | Confident | 83.8 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 179.1 | -166.6 | 167.7 | 153.5 | 0 | 0 | 111.4 | K458 R464 Q465 M466 | K458-E462 IonicContact NZ-OE2 2.72Å; K458-E462 PolarHBondContact NZ-OE2 3.25Å; K458-E462 VanDerWaalsContact O-CB 3.28Å; K458-E462 WeakPolarHBondContact O-CB 3.33Å; K458-E462 PolarHBondContact O-N 2.99Å; E462-R464 VanDerWaalsContact C-N 3.31Å; E462-R464 PolarHBondContact O-N 3.01Å; E462-Q465 PolarHBondContact O-N 3.41Å; E462-M466 VanDerWaalsContact O-CB 3.32Å; E462-M466 WeakPolarHBondContact O-CB 3.47Å; E462-M466 PolarHBondContact O-N 3.29Å |
| 463 | A | 84.9 | Confident | 84.4 | Confident | 61 Ų | 61 | 106.2 Ų | 106.2 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -35.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A459 K467 | A459-A463 VanDerWaalsContact O-CB 3.27Å; A459-A463 WeakPolarHBondContact O-CB 3.42Å; A459-A463 PolarHBondContact O-N 2.97Å; A463-K467 WeakPolarHBondContact O-CB 3.36Å; A463-K467 PolarHBondContact O-N 3.47Å |
| 464 | R | 89.8 | Confident | 84.2 | Confident | 181 Ų | 181 | 104.8 Ų | 104.8 | 68% | 0.683 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.3 | -43.4 | 172.5 | -73.7 | 170.7 | -176.9 | -159.1 | 2.8 | 111.7 | I460 Q461 E462 K467 E468 | I460-R464 VanDerWaalsContact O-CG 3.24Å; I460-R464 WeakPolarHBondContact O-CG 3.45Å; I460-R464 PolarHBondContact O-N 3.18Å; I460-R464 VanDerWaalsContact O-N 3.11Å; Q461-R464 WeakPolarHBondContact O-CB 3.49Å; Q461-R464 PolarHBondContact O-N 3.11Å; E462-R464 VanDerWaalsContact C-N 3.31Å; E462-R464 PolarHBondContact O-N 3.01Å; R464-K467 PolarHBondContact O-N 3.38Å; R464-E468 PolarHBondContact O-N 2.99Å |
| 465 | Q | 91.2 | Very high | 83.8 | Confident | 136 Ų | 136 | 104.3 Ų | 104.3 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.3 | -46.4 | 177.1 | -176.1 | 178.2 | 7.2 | 0 | 0 | 111.2 | Q461 E462 K467 E468 Q469 | Q461-Q465 PolarHBondContact O-N 3.44Å; E462-Q465 PolarHBondContact O-N 3.41Å; Q465-K467 PolarHBondContact O-N 2.95Å; Q465-E468 CarbonylContact O-C 3.59Å; Q465-E468 PolarHBondContact O-N 3.5Å; Q465-E468 VanDerWaalsContact O-N 3.15Å; Q465-Q469 PolarHBondContact O-N 3.38Å |
| 466 | M | 87.8 | Confident | 83.5 | Confident | 117 Ų | 117 | 105.5 Ų | 105.5 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.2 | -41.5 | 177.6 | -167.1 | -175.1 | -63.1 | 0 | 0 | 111.5 | E462 E468 Q469 L470 | E462-M466 VanDerWaalsContact O-CB 3.32Å; E462-M466 WeakPolarHBondContact O-CB 3.47Å; E462-M466 PolarHBondContact O-N 3.29Å; M466-E468 VanDerWaalsContact C-N 3.32Å; M466-E468 PolarHBondContact O-N 3.45Å; M466-Q469 PolarHBondContact O-N 3.03Å; M466-L470 WeakPolarHBondContact O-CB 3.32Å; M466-L470 PolarHBondContact O-N 3.32Å |
| 467 | K | 83.6 | Confident | 83.1 | Confident | 154 Ų | 154 | 106.2 Ų | 106.2 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -36.9 | 173.9 | -161.6 | -166.1 | 72.4 | 171.4 | 0 | 112.5 | A463 R464 Q465 R471 | A463-K467 WeakPolarHBondContact O-CB 3.36Å; A463-K467 PolarHBondContact O-N 3.47Å; R464-K467 PolarHBondContact O-N 3.38Å; Q465-K467 PolarHBondContact O-N 2.95Å; K467-R471 WeakPolarHBondContact O-CB 3.31Å; K467-R471 PolarHBondContact O-N 3.32Å |
| 468 | E | 83.7 | Confident | 82.3 | Confident | 70 Ų | 70 | 109 Ų | 109 | 33% | 0.327 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76.4 | -31.8 | 177.2 | -165.3 | 60 | -152.3 | 0 | 0 | 112.4 | R464 Q465 M466 R471 R472 | R464-E468 PolarHBondContact O-N 2.99Å; Q465-E468 CarbonylContact O-C 3.59Å; Q465-E468 PolarHBondContact O-N 3.5Å; Q465-E468 VanDerWaalsContact O-N 3.15Å; M466-E468 VanDerWaalsContact C-N 3.32Å; M466-E468 PolarHBondContact O-N 3.45Å; E468-R471 PolarHBondContact O-N 2.69Å; E468-R471 WeakPolarHBondContact OE1-CD 3.24Å; E468-R471 IonicContact OE1-NE 2.64Å; E468-R472 WeakPolarHBondContact O-CG 3.28Å; E468-R472 PolarHBondContact O-N 3.39Å |
| 469 | Q | 83.9 | Confident | 81.4 | Confident | 99 Ų | 99 | 104.7 Ų | 104.7 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -49.2 | 168.8 | 176.4 | 171.1 | -17 | 0 | 0 | 110.7 | Q465 M466 R471 R472 E473 | Q465-Q469 PolarHBondContact O-N 3.38Å; M466-Q469 PolarHBondContact O-N 3.03Å; Q469-R471 PolarHBondContact O-N 2.91Å; Q469-R472 CarbonylContact O-C 3.57Å; Q469-R472 WeakPolarHBondContact O-CA 3.39Å; Q469-R472 WeakPolarHBondContact O-CB 3.43Å; Q469-R472 PolarHBondContact O-N 2.95Å; Q469-E473 HydrophobicContact CG-CG 4.4Å; Q469-E473 VanDerWaalsContact CG-OE1 3.28Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.37Å; Q469-E473 PolarHBondContact NE2-OE1 2.99Å; Q469-E473 PolarHBondContact O-N 3.45Å |
| 470 | L | 80.9 | Confident | 80.6 | Confident | 104 Ų | 104 | 108.5 Ų | 108.5 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -31.7 | 179.4 | -143.3 | 148.6 | 0 | 0 | 0 | 111.6 | M466 Q474 | M466-L470 WeakPolarHBondContact O-CB 3.32Å; M466-L470 PolarHBondContact O-N 3.32Å; L470-Q474 VanDerWaalsContact O-CB 3.25Å; L470-Q474 WeakPolarHBondContact O-CB 3.47Å; L470-Q474 PolarHBondContact O-N 3.39Å |
| 471 | R | 82.6 | Confident | 79.7 | Confident | 136 Ų | 136 | 108.4 Ų | 108.4 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 168.1 | 173.9 | 176.9 | 160 | 74.4 | 6.7 | 112.8 | K467 E468 Q469 Q474 Q475 | K467-R471 WeakPolarHBondContact O-CB 3.31Å; K467-R471 PolarHBondContact O-N 3.32Å; E468-R471 PolarHBondContact O-N 2.69Å; E468-R471 WeakPolarHBondContact OE1-CD 3.24Å; E468-R471 IonicContact OE1-NE 2.64Å; Q469-R471 PolarHBondContact O-N 2.91Å; R471-Q474 PolarHBondContact O-N 3.04Å; R471-Q475 WeakPolarHBondContact O-CG 3.22Å; R471-Q475 PolarHBondContact O-N 3.33Å |
| 472 | R | 81.3 | Confident | 78.8 | Confident | 147 Ų | 147 | 104.9 Ų | 104.9 | 56% | 0.555 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.6 | -42.9 | 175.6 | -71.9 | -174.6 | -170 | 97.2 | 4.5 | 111.8 | E468 Q469 Q474 Q475 V476 | E468-R472 WeakPolarHBondContact O-CG 3.28Å; E468-R472 PolarHBondContact O-N 3.39Å; Q469-R472 CarbonylContact O-C 3.57Å; Q469-R472 WeakPolarHBondContact O-CA 3.39Å; Q469-R472 WeakPolarHBondContact O-CB 3.43Å; Q469-R472 PolarHBondContact O-N 2.95Å; R472-Q474 VanDerWaalsContact C-N 3.31Å; R472-Q474 PolarHBondContact O-N 2.68Å; R472-Q475 PolarHBondContact O-N 2.98Å; R472-V476 WeakPolarHBondContact O-CG2 3.04Å; R472-V476 PolarHBondContact O-N 3.4Å |
| 473 | E | 78.5 | Confident | 77.8 | Confident | 96 Ų | 96 | 104.6 Ų | 104.6 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 175.1 | -73.2 | 172.3 | -168.1 | 0 | 0 | 111.3 | Q469 V476 L477 | Q469-E473 HydrophobicContact CG-CG 4.4Å; Q469-E473 VanDerWaalsContact CG-OE1 3.28Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.37Å; Q469-E473 PolarHBondContact NE2-OE1 2.99Å; Q469-E473 PolarHBondContact O-N 3.45Å; E473-V476 CarbonylContact O-C 3.43Å; E473-V476 PolarHBondContact O-N 2.97Å; E473-L477 WeakPolarHBondContact O-CB 3.23Å; E473-L477 WeakPolarHBondContact O-CG 3.35Å; E473-L477 PolarHBondContact O-N 2.85Å |
| 474 | Q | 73 | Confident | 76.7 | Confident | 115 Ų | 115 | 106 Ų | 106 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 172.2 | -169.9 | 132.8 | 86.5 | 0 | 0 | 112.3 | L470 R471 R472 V476 L477 D478 | L470-Q474 VanDerWaalsContact O-CB 3.25Å; L470-Q474 WeakPolarHBondContact O-CB 3.47Å; L470-Q474 PolarHBondContact O-N 3.39Å; R471-Q474 PolarHBondContact O-N 3.04Å; R472-Q474 VanDerWaalsContact C-N 3.31Å; R472-Q474 PolarHBondContact O-N 2.68Å; Q474-V476 VanDerWaalsContact C-N 3.34Å; Q474-V476 PolarHBondContact O-N 2.99Å; Q474-L477 PolarHBondContact O-N 3.48Å; Q474-D478 WeakPolarHBondContact O-CB 3.44Å; Q474-D478 PolarHBondContact O-N 2.9Å |
| 475 | Q | 73.5 | Confident | 75.1 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.5 | -32 | 172.6 | -71.3 | -168.9 | -71.7 | 0 | 0 | 113.2 | R471 R472 G479 | R471-Q475 WeakPolarHBondContact O-CG 3.22Å; R471-Q475 PolarHBondContact O-N 3.33Å; R472-Q475 PolarHBondContact O-N 2.98Å; Q475-G479 PolarHBondContact O-N 3.44Å |
| 476 | V | 75.8 | Confident | 73.5 | Confident | 81 Ų | 81 | 102.1 Ų | 102.1 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.5 | -32.5 | 172.5 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | R472 E473 Q474 K480 | R472-V476 WeakPolarHBondContact O-CG2 3.04Å; R472-V476 PolarHBondContact O-N 3.4Å; E473-V476 CarbonylContact O-C 3.43Å; E473-V476 PolarHBondContact O-N 2.97Å; Q474-V476 VanDerWaalsContact C-N 3.34Å; Q474-V476 PolarHBondContact O-N 2.99Å; V476-K480 HydrophobicContact CG1-CD 4.12Å; V476-K480 VanDerWaalsContact O-CB 3.29Å; V476-K480 WeakPolarHBondContact O-CB 3.17Å; V476-K480 WeakPolarHBondContact O-CG 3.31Å; V476-K480 PolarHBondContact O-N 3.27Å |
| 477 | L | 70.4 | Confident | 71.6 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.4 | -47.1 | 172.4 | -79.3 | 165.4 | 0 | 0 | 0 | 111.5 | E473 Q474 G479 K480 V481 | E473-L477 WeakPolarHBondContact O-CB 3.23Å; E473-L477 WeakPolarHBondContact O-CG 3.35Å; E473-L477 PolarHBondContact O-N 2.85Å; Q474-L477 PolarHBondContact O-N 3.48Å; L477-G479 VanDerWaalsContact C-N 3.28Å; L477-G479 PolarHBondContact O-N 3.49Å; L477-K480 CarbonylContact O-C 3.28Å; L477-K480 PolarHBondContact O-N 3.48Å; L477-K480 VanDerWaalsContact O-N 3.15Å; L477-V481 WeakPolarHBondContact O-CB 3.49Å; L477-V481 VanDerWaalsContact O-CG2 3.29Å; L477-V481 WeakPolarHBondContact O-CG2 3.4Å; L477-V481 PolarHBondContact O-N 3.12Å |
| 478 | D | 69.3 | Low | 69.2 | Low | 104 Ų | 104 | 96.8 Ų | 96.8 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59 | -41 | 172.7 | -75.1 | -26.2 | 0 | 0 | 0 | 110.8 | Q474 V481 A482 | Q474-D478 WeakPolarHBondContact O-CB 3.44Å; Q474-D478 PolarHBondContact O-N 2.9Å; D478-V481 PolarHBondContact O-N 3.37Å; D478-A482 VanDerWaalsContact O-CB 3.26Å; D478-A482 WeakPolarHBondContact O-CB 3.26Å; D478-A482 PolarHBondContact O-N 3.47Å |
| 479 | G | 71.9 | Confident | 67.3 | Low | 36 Ų | 36 | 100.7 Ų | 100.7 | 37% | 0.371 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q475 L477 A482 V483 | Q475-G479 PolarHBondContact O-N 3.44Å; L477-G479 VanDerWaalsContact C-N 3.28Å; L477-G479 PolarHBondContact O-N 3.49Å; G479-A482 PolarHBondContact O-N 3.13Å; G479-V483 WeakPolarHBondContact O-CB 3.47Å; G479-V483 VanDerWaalsContact O-CG2 3.31Å; G479-V483 WeakPolarHBondContact O-CG2 3.4Å; G479-V483 PolarHBondContact O-N 2.88Å |
| 480 | K | 67.7 | Low | 65.1 | Low | 134 Ų | 134 | 102.2 Ų | 102.2 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.4 | -37.6 | 175.4 | -78.4 | 173.9 | 178.9 | -177.2 | 0 | 112.4 | V476 L477 V483 V484 | V476-K480 HydrophobicContact CG1-CD 4.12Å; V476-K480 VanDerWaalsContact O-CB 3.29Å; V476-K480 WeakPolarHBondContact O-CB 3.17Å; V476-K480 WeakPolarHBondContact O-CG 3.31Å; V476-K480 PolarHBondContact O-N 3.27Å; L477-K480 CarbonylContact O-C 3.28Å; L477-K480 PolarHBondContact O-N 3.48Å; L477-K480 VanDerWaalsContact O-N 3.15Å; K480-V483 PolarHBondContact O-N 3.02Å; K480-V484 WeakPolarHBondContact O-CB 3.31Å; K480-V484 VanDerWaalsContact O-CG2 3.27Å; K480-V484 WeakPolarHBondContact O-CG2 3.33Å; K480-V484 PolarHBondContact O-N 3.01Å |
| 481 | V | 68.1 | Low | 63.2 | Low | 83 Ų | 83 | 104.9 Ų | 104.9 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.6 | -39.4 | 174.8 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | L477 D478 V484 N485 | L477-V481 WeakPolarHBondContact O-CB 3.49Å; L477-V481 VanDerWaalsContact O-CG2 3.29Å; L477-V481 WeakPolarHBondContact O-CG2 3.4Å; L477-V481 PolarHBondContact O-N 3.12Å; D478-V481 PolarHBondContact O-N 3.37Å; V481-V484 PolarHBondContact O-N 3.3Å; V481-N485 WeakPolarHBondContact O-CB 3.49Å; V481-N485 PolarHBondContact O-N 3.03Å |
| 482 | A | 67.6 | Low | 60.8 | Low | 53 Ų | 53 | 103.2 Ų | 103.2 | 44% | 0.438 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.5 | -42.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D478 G479 N485 S486 | D478-A482 VanDerWaalsContact O-CB 3.26Å; D478-A482 WeakPolarHBondContact O-CB 3.26Å; D478-A482 PolarHBondContact O-N 3.47Å; G479-A482 PolarHBondContact O-N 3.13Å; A482-N485 PolarHBondContact O-N 2.8Å; A482-S486 WeakPolarHBondContact O-CB 3.32Å; A482-S486 PolarHBondContact O-N 3.25Å; A482-S486 PolarHBondContact O-OG 3.19Å |
| 483 | V | 68.6 | Low | 58.6 | Low | 80 Ų | 80 | 108 Ų | 108 | 49% | 0.485 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.6 | -40 | 174.6 | 167.8 | 0 | 0 | 0 | 0 | 112 | G479 K480 S486 L487 | G479-V483 WeakPolarHBondContact O-CB 3.47Å; G479-V483 VanDerWaalsContact O-CG2 3.31Å; G479-V483 WeakPolarHBondContact O-CG2 3.4Å; G479-V483 PolarHBondContact O-N 2.88Å; K480-V483 PolarHBondContact O-N 3.02Å; V483-S486 CarbonylContact O-C 3.6Å; V483-S486 PolarHBondContact O-N 3.26Å; V483-L487 HydrophobicContact CG1-CD1 3.8Å; V483-L487 HydrophobicContact CG1-CG 4.42Å; V483-L487 WeakPolarHBondContact O-CB 3.45Å; V483-L487 WeakPolarHBondContact O-CG 3.4Å; V483-L487 PolarHBondContact O-N 2.94Å |
| 484 | V | 60.9 | Low | 56.8 | Low | 91 Ų | 91 | 109.8 Ų | 109.8 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.5 | -32 | 177.3 | 168.5 | 0 | 0 | 0 | 0 | 112.4 | K480 V481 S486 L487 | K480-V484 WeakPolarHBondContact O-CB 3.31Å; K480-V484 VanDerWaalsContact O-CG2 3.27Å; K480-V484 WeakPolarHBondContact O-CG2 3.33Å; K480-V484 PolarHBondContact O-N 3.01Å; V481-V484 PolarHBondContact O-N 3.3Å; V484-S486 VanDerWaalsContact C-N 3.34Å; V484-L487 CarbonylContact O-C 3.4Å |
| 485 | N | 56.4 | Low | 55 | Low | 137 Ų | 137 | 113.3 Ų | 113.3 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.2 | -28.5 | 168 | -88.4 | 5 | 0 | 0 | 0 | 112.5 | V481 A482 | V481-N485 WeakPolarHBondContact O-CB 3.49Å; V481-N485 PolarHBondContact O-N 3.03Å; A482-N485 PolarHBondContact O-N 2.8Å |
| 486 | S | 57.8 | Low | 53.5 | Low | 99 Ų | 99 | 117.5 Ų | 117.5 | 69% | 0.692 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.9 | -29.8 | 177.1 | -56.2 | 0 | 0 | 0 | 0 | 112.5 | A482 V483 V484 | A482-S486 WeakPolarHBondContact O-CB 3.32Å; A482-S486 PolarHBondContact O-N 3.25Å; A482-S486 PolarHBondContact O-OG 3.19Å; V483-S486 CarbonylContact O-C 3.6Å; V483-S486 PolarHBondContact O-N 3.26Å; V484-S486 VanDerWaalsContact C-N 3.34Å |
| 487 | L | 48.5 | Very low | 52 | Low | 108 Ų | 108 | 121.4 Ų | 121.4 | 57% | 0.565 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -102.3 | 80.8 | 174.6 | -64.5 | 175.9 | 0 | 0 | 0 | 108.9 | V483 V484 L489 | V483-L487 HydrophobicContact CG1-CD1 3.8Å; V483-L487 HydrophobicContact CG1-CG 4.42Å; V483-L487 WeakPolarHBondContact O-CB 3.45Å; V483-L487 WeakPolarHBondContact O-CG 3.4Å; V483-L487 PolarHBondContact O-N 2.94Å; V484-L487 CarbonylContact O-C 3.4Å; L487-L489 PolarHBondContact O-N 3.44Å |
| 488 | G | 33.8 | Very low | 50.7 | Low | 50 Ų | 50 | 122.4 Ų | 122.4 | 52% | 0.515 | 66% | 0.658 | S | S | . | * | trans | -60.2 | 90.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N490 | G488-N490 PolarHBondContact O-N 3.03Å; G488-N490 VanDerWaalsContact O-N 3.09Å; G488-N490 PolarHBondContact O-ND2 3.37Å | ||
| 489 | L | 42.5 | Very low | 49.9 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 80% | 0.801 | 67% | 0.665 | S | S | * | * | trans | -84.1 | 81.4 | -177.7 | -74.2 | 179.7 | 0 | 0 | 0 | 111.4 | L487 N491 | L487-L489 PolarHBondContact O-N 3.44Å; L489-N491 PolarHBondContact O-N 2.87Å | ||
| 490 | N | 38.4 | Very low | 48.9 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | trans | -78.2 | 105.8 | 173.3 | -22.2 | -77.9 | 0 | 0 | 0 | 109.2 | G488 | G488-N490 PolarHBondContact O-N 3.03Å; G488-N490 VanDerWaalsContact O-N 3.09Å; G488-N490 PolarHBondContact O-ND2 3.37Å | ||
| 491 | N | 41.2 | Very low | 47.9 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 86% | 0.856 | 68% | 0.679 | S | S | * | * | trans | -134.4 | 90.6 | 172.2 | -119.7 | 9.2 | 0 | 0 | 0 | 108.8 | L489 | L489-N491 PolarHBondContact O-N 2.87Š| ||
| 492 | C | 32.4 | Very low | 46.8 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 69% | 0.689 | 67% | 0.674 | S | S | * | * | 79.4 | 74 | 70.8 | -66.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 493 | R | 33.4 | Very low | 46.1 | Very low | 247 Ų | 247 | 127 Ų | 127 | 93% | 0.932 | 68% | 0.681 | S | S | * | * | trans | -162 | 134.8 | 137.8 | -105.4 | 177.3 | 179.8 | -156.5 | -1.9 | 106.9 | ||||
| 494 | T | 41.6 | Very low | 45.3 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 82% | 0.816 | 68% | 0.684 | S | S | * | * | cis | -115.1 | 148 | 13.4 | 45.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 495 | E | 35.3 | Very low | 45.1 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | trans | -75.2 | 126.4 | 171.3 | -65 | -171.5 | 116.9 | 0 | 0 | 112.2 | ||||
| 496 | K | 42.7 | Very low | 44.9 | Very low | 198 Ų | 198 | 128.7 Ų | 128.7 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -177.7 | -21.7 | 140 | -104.4 | 166.8 | -176.9 | -178.3 | 0 | 113.8 | ||
| 497 | E | 43.3 | Very low | 44.4 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 76% | 0.757 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -107.1 | -1.6 | -171.9 | -59.5 | 178.9 | 150.7 | 0 | 0 | 114.7 | T500 | E497-T500 PolarHBondContact O-OG1 3.13Š|
| 498 | K | 43.9 | Very low | 44.4 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 53% | 0.53 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -71.5 | -40.5 | -171.2 | -163.7 | -177.1 | -176.8 | -98.3 | 0 | 113.7 | T500 L501 E502 | K498-T500 PolarHBondContact O-N 3.25Å; K498-L501 PolarHBondContact O-N 2.73Å; K498-E502 IonicContact NZ-OE1 3.03Å; K498-E502 PolarHBondContact NZ-OE1 3.47Å; K498-E502 IonicContact NZ-OE2 3.23Å; K498-E502 PolarHBondContact NZ-OE2 3.09Å; K498-E502 WeakPolarHBondContact O-CB 3.45Å; K498-E502 PolarHBondContact O-N 2.76Å; K498-E502 VanDerWaalsContact O-N 3.12Å |
| 499 | T | 51.8 | Low | 44.9 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -70 | -33 | -171.4 | 45 | 0 | 0 | 0 | 0 | 113.5 | S503 | T499-S503 PolarHBondContact O-N 3.09Å |
| 500 | T | 51 | Low | 44.9 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 61% | 0.607 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -70.8 | -38.7 | 174.3 | 32 | 0 | 0 | 0 | 0 | 112.5 | E497 K498 L504 | E497-T500 PolarHBondContact O-OG1 3.13Å; K498-T500 PolarHBondContact O-N 3.25Å; T500-L504 PolarHBondContact O-N 3.14Å |
| 501 | L | 47.1 | Very low | 45 | Very low | 122 Ų | 122 | 137 Ų | 137 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -74.7 | -36.2 | -178 | -163.7 | 69.8 | 0 | 0 | 0 | 113 | K498 L504 T505 | K498-L501 PolarHBondContact O-N 2.73Å; L501-L504 PolarHBondContact O-N 3.07Å; L501-T505 PolarHBondContact O-N 3.03Å; L501-T505 VanDerWaalsContact O-N 3.13Å; L501-T505 PolarHBondContact O-OG1 2.95Å |
| 502 | E | 44.6 | Very low | 44.8 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 42% | 0.416 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -71.8 | -33.5 | -179 | -158.6 | 155.4 | -144.2 | 0 | 0 | 111.9 | K498 T505 Q506 | K498-E502 IonicContact NZ-OE1 3.03Å; K498-E502 PolarHBondContact NZ-OE1 3.47Å; K498-E502 IonicContact NZ-OE2 3.23Å; K498-E502 PolarHBondContact NZ-OE2 3.09Å; K498-E502 WeakPolarHBondContact O-CB 3.45Å; K498-E502 PolarHBondContact O-N 2.76Å; K498-E502 VanDerWaalsContact O-N 3.12Å; E502-T505 PolarHBondContact O-N 2.65Å; E502-Q506 PolarHBondContact O-N 3.19Å |
| 503 | S | 53 | Low | 45 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 57% | 0.566 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -62 | -49.5 | 171.1 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | T499 T505 Q506 Q507 | T499-S503 PolarHBondContact O-N 3.09Å; S503-T505 PolarHBondContact O-N 3.44Å; S503-Q506 PolarHBondContact O-N 3.23Å; S503-Q507 PolarHBondContact O-N 3.15Å |
| 504 | L | 50.8 | Low | 45.4 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 57% | 0.565 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -62.9 | -27.1 | 176.5 | -97.3 | 163.2 | 0 | 0 | 0 | 113.5 | T500 L501 | T500-L504 PolarHBondContact O-N 3.14Å; L501-L504 PolarHBondContact O-N 3.07Å |
| 505 | T | 56.7 | Low | 45.1 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 55% | 0.552 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -75.6 | -36.5 | -179.5 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | L501 E502 S503 | L501-T505 PolarHBondContact O-N 3.03Å; L501-T505 VanDerWaalsContact O-N 3.13Å; L501-T505 PolarHBondContact O-OG1 2.95Å; E502-T505 PolarHBondContact O-N 2.65Å; S503-T505 PolarHBondContact O-N 3.44Å |
| 506 | Q | 53.2 | Low | 45.3 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -76.3 | -24.9 | -179.5 | -67.6 | 179.4 | 41.6 | 0 | 0 | 112.8 | E502 S503 L508 | E502-Q506 PolarHBondContact O-N 3.19Å; S503-Q506 PolarHBondContact O-N 3.23Å; Q506-L508 PolarHBondContact O-N 3.34Å |
| 507 | Q | 47.5 | Very low | 45 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -6.3 | -179.9 | -159.6 | 159.1 | 64.7 | 0 | 0 | 114.1 | S503 | S503-Q507 PolarHBondContact O-N 3.15Š|
| 508 | L | 48.2 | Very low | 44.5 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 5.9 | -178.8 | -71.6 | 169.6 | 0 | 0 | 0 | 114.3 | Q506 | Q506-L508 PolarHBondContact O-N 3.34Š|
| 509 | A | 44.8 | Very low | 44 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -107.3 | 5.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 510 | V | 42.1 | Very low | 43.1 | Very low | 125 Ų | 125 | 136 Ų | 136 | 76% | 0.758 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -136 | 130.2 | -176.9 | -175.6 | 0 | 0 | 0 | 0 | 111 | ||
| 511 | K | 41 | Very low | 42.3 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | trans | 70.5 | 136.7 | -164.6 | -54.6 | -179.3 | 178.7 | 178.8 | 0 | 112.5 | ||||
| 512 | Q | 37.2 | Very low | 41.9 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 91% | 0.907 | 73% | 0.731 | S | S | * | * | cis | -124.6 | 154 | 1.4 | -65.4 | 176.2 | -68.3 | 0 | 0 | 111.5 | ||||
| 513 | N | 36.9 | Very low | 41.9 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -127.8 | 161.3 | 157.8 | -174.1 | 28.9 | 0 | 0 | 0 | 107.6 | ||||
| 514 | E | 40.2 | Very low | 41.3 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | trans | 81.8 | 136.8 | 163.5 | -39.8 | -158.7 | 144 | 0 | 0 | 119.3 | ||||
| 515 | E | 36.5 | Very low | 40.9 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 78.1 | 86.3 | 158.5 | -52.5 | -62.6 | 156.8 | 0 | 0 | 121.8 | ||||
| 516 | G | 38.2 | Very low | 40.2 | Very low | 70 Ų | 70 | 152.9 Ų | 152.9 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | 83.5 | 102.6 | 111.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 517 | K | 37.1 | Very low | 39.8 | Very low | 195 Ų | 195 | 153.9 Ų | 153.9 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | 72.8 | 162.4 | 159.4 | -63.3 | 171.4 | 178.7 | 167.1 | 0 | 117.4 | ||||
| 518 | F | 33.4 | Very low | 39.5 | Very low | 196 Ų | 196 | 151.4 Ų | 151.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 63 | 126.7 | -168.5 | -61.3 | -92.6 | 0 | 0 | 0 | 113 | ||||
| 519 | S | 32.6 | Very low | 39.3 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | cis | 79 | 86.7 | 39.2 | -168.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 520 | H | 32 | Very low | 39.2 | Very low | 182 Ų | 182 | 152.2 Ų | 152.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | 47.1 | 90.7 | 141.7 | -171.2 | 24.5 | 0 | 0 | 0 | 117.5 | ||||
| 521 | A | 35.4 | Very low | 39.6 | Very low | 96 Ų | 96 | 152 Ų | 152 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | -146.2 | 157.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 522 | M | 39 | Very low | 39.6 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | trans | -100.3 | 153.9 | 176.5 | -57.8 | 174.5 | -64.9 | 0 | 0 | 109.6 | ||||
| 523 | M | 43.9 | Very low | 39.8 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -146.2 | 128 | 161.4 | -80.7 | -61.1 | 162.2 | 0 | 0 | 109.8 | ||||
| 524 | D | 40.3 | Very low | 39.9 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | trans | -87.9 | 163.8 | 178.6 | -60.5 | -74.4 | 0 | 0 | 0 | 112.5 | ||||
| 525 | F | 43.8 | Very low | 39.7 | Very low | 224 Ų | 224 | 142 Ų | 142 | 98% | 0.982 | 83% | 0.827 | S | S | * | * | trans | -102.2 | 110 | 157.4 | -88.8 | -88.1 | 0 | 0 | 0 | 108.5 | ||||
| 526 | N | 40.8 | Very low | 39.7 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | -136.7 | 106.2 | -172.7 | -145.3 | 1.1 | 0 | 0 | 0 | 110.2 | ||||
| 527 | L | 44.4 | Very low | 40.1 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -175.4 | 129.3 | 175.4 | -94.5 | 131.7 | 0 | 0 | 0 | 107.7 | ||||
| 528 | S | 42.1 | Very low | 40.2 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | cis | -158.1 | 151 | -18 | -87 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 529 | G | 44.7 | Very low | 40.3 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 168.7 | 115.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 530 | D | 41.4 | Very low | 40.5 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -76.2 | 137.8 | -168.8 | -50.7 | -102.8 | 0 | 0 | 0 | 114.5 | ||||
| 531 | S | 50.6 | Low | 41 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -168.3 | 144.7 | 136.5 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 532 | D | 42 | Very low | 41.4 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -67.7 | 152.4 | 174.1 | -81.3 | -62.7 | 0 | 0 | 0 | 113.5 | ||||
| 533 | G | 40.1 | Very low | 41.1 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | 121.8 | 122.4 | 146 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 534 | S | 38.9 | Very low | 40.8 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 92% | 0.923 | 81% | 0.811 | S | S | * | * | trans | 73.3 | 136.4 | 163.7 | -154 | 0 | 0 | 0 | 0 | 118 | ||||
| 535 | A | 37.1 | Very low | 40.6 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -111.8 | 128.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 536 | G | 36.2 | Very low | 40.4 | Very low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -178 | 154.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 537 | V | 46.5 | Very low | 40.5 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | 59.5 | 61.7 | 170.2 | -159.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 538 | S | 40.2 | Very low | 39.9 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -64.5 | 138 | 159.3 | -56 | 0 | 0 | 0 | 0 | 111.1 | S540 | S538-S540 PolarHBondContact O-N 3.36Š| ||
| 539 | E | 33.7 | Very low | 39.9 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 64% | 0.64 | 78% | 0.779 | S | S | * | * | trans | -64.7 | 100.1 | -165.3 | -164.9 | -175.2 | -173.5 | 0 | 0 | 113.4 | R541 | E539-R541 VanDerWaalsContact CD-NE 3.32Å; E539-R541 HydrophobicContact CG-CG 4.15Å; E539-R541 PolarHBondContact O-N 2.92Å; E539-R541 IonicContact OE1-CZ 2.69Å; E539-R541 IonicContact OE1-NE 3.25Å; E539-R541 PolarHBondContact OE1-NE 3.46Å; E539-R541 IonicContact OE1-NH2 2.64Å; E539-R541 PolarHBondContact OE1-NH2 2.96Å; E539-R541 IonicContact OE2-CZ 3.74Å; E539-R541 IonicContact OE2-NE 3.55Å; E539-R541 IonicContact OE2-NH2 3.43Å; E539-R541 PolarHBondContact OE2-NH2 2.88Å | ||
| 540 | S | 37.8 | Very low | 39.4 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -76.9 | 51.9 | -178.3 | -70.8 | 0 | 0 | 0 | 0 | 114 | S538 I542 | S538-S540 PolarHBondContact O-N 3.36Å; S540-I542 PolarHBondContact O-N 2.92Å | ||
| 541 | R | 43.2 | Very low | 39.4 | Very low | 191 Ų | 191 | 133.1 Ų | 133.1 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -63.3 | 103 | 162.2 | -73.2 | -172.6 | -165.2 | 176.8 | 17.7 | 108.1 | E539 Y543 | E539-R541 VanDerWaalsContact CD-NE 3.32Å; E539-R541 HydrophobicContact CG-CG 4.15Å; E539-R541 PolarHBondContact O-N 2.92Å; E539-R541 IonicContact OE1-CZ 2.69Å; E539-R541 IonicContact OE1-NE 3.25Å; E539-R541 PolarHBondContact OE1-NE 3.46Å; E539-R541 IonicContact OE1-NH2 2.64Å; E539-R541 PolarHBondContact OE1-NH2 2.96Å; E539-R541 IonicContact OE2-CZ 3.74Å; E539-R541 IonicContact OE2-NE 3.55Å; E539-R541 IonicContact OE2-NH2 3.43Å; E539-R541 PolarHBondContact OE2-NH2 2.88Å; R541-Y543 VanDerWaalsContact C-N 3.28Å; R541-Y543 PolarHBondContact O-N 3.29Å | ||
| 542 | I | 42.2 | Very low | 39.2 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -64.2 | 89.8 | 179.3 | -55.7 | 177.3 | 0 | 0 | 0 | 109.5 | S540 R544 | S540-I542 PolarHBondContact O-N 2.92Å; I542-R544 VanDerWaalsContact C-N 3.29Å; I542-R544 PolarHBondContact O-N 3.2Å | ||
| 543 | Y | 34.1 | Very low | 40.2 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | -60.8 | 96.5 | 161.3 | -155.2 | -93.5 | 0 | 0 | 0 | 106.2 | R541 E545 | R541-Y543 VanDerWaalsContact C-N 3.28Å; R541-Y543 PolarHBondContact O-N 3.29Å; Y543-E545 PolarHBondContact O-N 3.46Å | ||
| 544 | R | 37.8 | Very low | 42 | Very low | 224 Ų | 224 | 135.2 Ų | 135.2 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -75.5 | 76 | 178.3 | -172 | -168.3 | -69.3 | -140.5 | -2.9 | 108.3 | I542 | I542-R544 VanDerWaalsContact C-N 3.29Å; I542-R544 PolarHBondContact O-N 3.2Å | ||
| 545 | E | 34.7 | Very low | 44.2 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 55% | 0.551 | 75% | 0.749 | S | S | * | * | trans | -51.8 | 146.7 | 170.3 | -169.6 | 48.6 | -97.6 | 0 | 0 | 109.9 | Y543 R547 | Y543-E545 PolarHBondContact O-N 3.46Å; E545-R547 VanDerWaalsContact C-N 3.29Å; E545-R547 PolarHBondContact O-N 3.47Å | ||
| 546 | S | 39.6 | Very low | 46.8 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | -71.5 | 77.4 | -164.6 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | G548 | S546-G548 PolarHBondContact O-N 3.33Š| ||
| 547 | R | 42.4 | Very low | 49.5 | Very low | 245 Ų | 245 | 138.6 Ų | 138.6 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | trans | -54.9 | 92.5 | -176.9 | -81.1 | -172.3 | 170.9 | 157.5 | 0.1 | 113.6 | E545 | E545-R547 VanDerWaalsContact C-N 3.29Å; E545-R547 PolarHBondContact O-N 3.47Å | ||
| 548 | G | 32.8 | Very low | 51.9 | Low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 61.4 | 62.8 | 141 | 0 | 0 | 0 | 0 | 0 | 116.6 | S546 | S546-G548 PolarHBondContact O-N 3.33Š|
| 549 | R | 41.5 | Very low | 54.6 | Low | 138 Ų | 138 | 135.4 Ų | 135.4 | 52% | 0.521 | 68% | 0.681 | S | S | . | * | trans | -137 | 85.9 | 164.5 | -80.4 | -65.2 | -126.2 | -90.2 | -28.8 | 111.2 | S551 L634 | R549-S551 VanDerWaalsContact C-N 3.33Å; R549-S551 PolarHBondContact O-N 2.92Å; R549-L634 PolarHBondContact NH1-O 3.48Å; R549-L634 PolarHBondContact NH2-O 3.42Å | ||
| 550 | G | 34.4 | Very low | 57.6 | Low | 87 Ų | 87 | 132.6 Ų | 132.6 | 90% | 0.897 | 67% | 0.668 | S | S | * | * | trans | -62.8 | 88 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 551 | S | 41.3 | Very low | 60.5 | Low | 89 Ų | 89 | 130.8 Ų | 130.8 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | trans | -142.6 | 108.1 | 166.6 | 176.9 | 0 | 0 | 0 | 0 | 104.9 | R549 E553 | R549-S551 VanDerWaalsContact C-N 3.33Å; R549-S551 PolarHBondContact O-N 2.92Å; S551-E553 PolarHBondContact O-N 2.98Å | ||
| 552 | N | 47.6 | Very low | 63.1 | Low | 170 Ų | 170 | 121.8 Ų | 121.8 | 91% | 0.909 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -73.8 | 25.9 | -167.7 | -61.3 | -24 | 0 | 0 | 0 | 114 | ||
| 553 | E | 62.6 | Low | 65.8 | Low | 132 Ų | 132 | 117.1 Ų | 117.1 | 62% | 0.617 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -139.5 | 109.2 | 176.7 | -173.1 | 62.6 | -117.1 | 0 | 0 | 107.6 | S551 H555 | S551-E553 PolarHBondContact O-N 2.98Å; E553-H555 PolarHBondContact O-N 3.42Å |
| 554 | P | 78 | Confident | 68.9 | Low | 100 Ų | 100 | 112.4 Ų | 112.4 | 65% | 0.649 | 58% | 0.577 | S | S | * | * | trans | -68.2 | 131.9 | -174.6 | 26.7 | -34 | 0 | 0 | 0 | 111.2 | I556 | P554-I556 PolarHBondContact O-N 2.68Š| ||
| 555 | H | 83.6 | Confident | 71.7 | Confident | 165 Ų | 165 | 102.4 Ų | 102.4 | 76% | 0.764 | 54% | 0.54 | S | S | * | . | trans | -61.5 | 106.4 | -178.5 | 173.8 | 48.6 | 0 | 0 | 0 | 112 | E553 K557 | E553-H555 PolarHBondContact O-N 3.42Å; H555-K557 PolarHBondContact O-N 2.96Å | ||
| 556 | I | 91.7 | Very high | 74.8 | Confident | 41 Ų | 41 | 97 Ų | 97 | 21% | 0.21 | 52% | 0.515 | C | S | . | . | trans | -59.3 | 107.2 | 178 | -57.1 | 165.4 | 0 | 0 | 0 | 109.8 | P554 H616 Y620 Y623 | P554-I556 PolarHBondContact O-N 2.68Å; I556-H616 WeakPolarHBondContact CG2-CE1 3.4Å; I556-Y620 HydrophobicContact CD1-CD1 3.48Å; I556-Y620 VanDerWaalsContact CD1-CD1 3.48Å; I556-Y620 HydrophobicContact CD1-CE1 3.9Å; I556-Y620 HydrophobicContact CD1-CG 3.94Å; I556-Y620 HydrophobicContact CG1-CD1 4Å; I556-Y620 HydrophobicContact CG1-CE1 3.95Å; I556-Y620 HydrophobicContact CG1-CG 4.41Å; I556-Y620 HydrophobicContact CG2-CD1 4.41Å; I556-Y620 HydrophobicContact CG2-CD2 3.79Å; I556-Y620 HydrophobicContact CG2-CE2 4.02Å; I556-Y620 HydrophobicContact CG2-CG 4Å; I556-Y623 HydrophobicContact CB-CD2 3.94Å; I556-Y623 HydrophobicContact CB-CE2 3.91Å; I556-Y623 HydrophobicContact CD1-CD2 4.47Å; I556-Y623 HydrophobicContact CG2-CD2 3.45Å; I556-Y623 VanDerWaalsContact CG2-CD2 3.45Å; I556-Y623 HydrophobicContact CG2-CE2 3.56Å; I556-Y623 HydrophobicContact CG2-CG 4.45Å; I556-Y623 WeakPolarHBondContact O-CE2 3.32Å | ||
| 557 | K | 94.4 | Very high | 77.6 | Confident | 169 Ų | 169 | 91.9 Ų | 91.9 | 74% | 0.735 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 151.9 | 173.8 | -62.5 | 176.6 | -175.8 | 171.4 | 0 | 109.7 | H555 H616 | H555-K557 PolarHBondContact O-N 2.96Å; K557-H616 PolarHBondContact O-CE1 3.24Å |
| 558 | R | 96.5 | Very high | 80.2 | Confident | 149 Ų | 149 | 85.8 Ų | 85.8 | 56% | 0.562 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 153.9 | 173.4 | -59.2 | -176.8 | -137.3 | -156.6 | 3.4 | 111.3 | Y623 Y625 | R558-Y623 WeakPolarHBondContact CG-OH 3.13Å; R558-Y625 VanDerWaalsContact CZ-CZ 3.48Å; R558-Y625 VanDerWaalsContact NH1-CZ 3.33Å; R558-Y625 PolarHBondContact NH1-OH 3.08Å; R558-Y625 PolarHBondContact NH2-OH 3.02Å |
| 559 | P | 97.3 | Very high | 83.2 | Confident | 44 Ų | 44 | 85.4 Ų | 85.4 | 29% | 0.286 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 153.8 | 161.3 | 28.1 | -33.7 | 0 | 0 | 0 | 110.3 | L612 H616 | P559-L612 HydrophobicContact CB-CB 4.5Å; P559-H616 HydrophobicContact CB-CB 4.06Å; P559-H616 HydrophobicContact CG-CB 4.22Å |
| 560 | M | 96.9 | Very high | 85.8 | Confident | 78 Ų | 78 | 79.5 Ų | 79.5 | 38% | 0.384 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 142.4 | 176.7 | -63.6 | -171.9 | -63.1 | 0 | 0 | 110.2 | M564 V565 L612 | M560-M564 HydrophobicContact CB-CB 4.02Å; M560-M564 HydrophobicContact CG-CB 4.39Å; M560-V565 HydrophobicContact CB-CG2 3.9Å; M560-V565 HydrophobicContact CE-CG2 4.3Å; M560-L612 HydrophobicContact CB-CD1 4.35Å; M560-L612 HydrophobicContact CE-CD1 4.07Å |
| 561 | N | 98.2 | Very high | 88.8 | Confident | 79 Ų | 79 | 78 Ų | 78 | 42% | 0.422 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 165.9 | 167.8 | 73.3 | -14.6 | 0 | 0 | 0 | 110.5 | F563 M564 V565 Q609 | N561-F563 VanDerWaalsContact C-N 3.28Å; N561-F563 PolarHBondContact O-N 3.39Å; N561-M564 CarbonylContact O-C 3.6Å; N561-M564 WeakPolarHBondContact O-CA 3.45Å; N561-M564 PolarHBondContact O-N 2.72Å; N561-M564 VanDerWaalsContact OD1-CB 3.25Å; N561-M564 WeakPolarHBondContact OD1-CB 3.3Å; N561-M564 WeakPolarHBondContact OD1-CG 3.13Å; N561-M564 PolarHBondContact OD1-N 2.69Å; N561-V565 PolarHBondContact O-N 3.11Å; N561-Q609 VanDerWaalsContact CB-OE1 3.27Å |
| 562 | A | 97.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 80 Ų | 80 | 2% | 0.017 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -51.1 | -45.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M564 V565 W566 W594 Y605 Y606 Q609 | A562-M564 PolarHBondContact O-N 3.26Å; A562-V565 WeakPolarHBondContact O-CB 3.26Å; A562-V565 PolarHBondContact O-N 3.32Å; A562-W566 PolarHBondContact O-N 3.44Å; A562-W594 HydrophobicContact CB-CH2 3.86Å; A562-W594 HydrophobicContact CB-CZ2 4.14Å; A562-Y605 WeakPolarHBondContact CA-O 3.35Å; A562-Y605 VanDerWaalsContact CB-O 3.23Å; A562-Y605 WeakPolarHBondContact CB-O 3.28Å; A562-Y606 HydrophobicContact CB-CD1 3.68Å; A562-Y606 HydrophobicContact CB-CE1 3.9Å; A562-Y606 HydrophobicContact CB-CG 4.16Å; A562-Q609 HydrophobicContact CB-CB 4.26Å |
| 563 | F | 98.5 | Very high | 93.8 | Very high | 54 Ų | 54 | 77.5 Ų | 77.5 | 24% | 0.237 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 173.6 | 174.6 | -97.9 | 0 | 0 | 0 | 112.8 | N561 W566 A567 L590 W594 | N561-F563 VanDerWaalsContact C-N 3.28Å; N561-F563 PolarHBondContact O-N 3.39Å; F563-W566 HydrophobicContact CD2-CE3 4.08Å; F563-W566 HydrophobicContact CD2-CZ3 4.13Å; F563-W566 HydrophobicContact CE2-CE3 4.16Å; F563-W566 AromaticContact CE2-CZ3 3.8Å; F563-W566 HydrophobicContact CE2-CZ3 3.8Å; F563-A567 HydrophobicContact CD1-CB 4.47Å; F563-A567 HydrophobicContact CE1-CB 4.18Å; F563-A567 HydrophobicContact CE2-CB 4.49Å; F563-A567 HydrophobicContact CZ-CB 4.2Å; F563-A567 WeakPolarHBondContact O-CA 3.31Å; F563-A567 WeakPolarHBondContact O-CB 2.82Å; F563-A567 PolarHBondContact O-N 3.46Å; F563-L590 HydrophobicContact CE2-CB 4.45Å; F563-L590 HydrophobicContact CZ-CB 4.29Å; F563-W594 HydrophobicContact CB-CD2 4.43Å; F563-W594 HydrophobicContact CD2-CB 3.78Å; F563-W594 AromaticContact CD2-CD1 3.97Å; F563-W594 AromaticContact CD2-CD2 3.93Å; F563-W594 HydrophobicContact CD2-CD2 3.93Å; F563-W594 HydrophobicContact CD2-CE3 4.48Å; F563-W594 AromaticContact CD2-CG 3.59Å; F563-W594 HydrophobicContact CD2-CG 3.59Å; F563-W594 HydrophobicContact CE2-CB 3.91Å; F563-W594 HydrophobicContact CE2-CG 4.23Å |
| 564 | M | 98.3 | Very high | 95.4 | Very high | 99 Ų | 99 | 72.2 Ų | 72.2 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.8 | -26.6 | 179.2 | -74.8 | -69.2 | -155.8 | 0 | 0 | 113.5 | M560 N561 A562 K568 | M560-M564 HydrophobicContact CB-CB 4.02Å; M560-M564 HydrophobicContact CG-CB 4.39Å; N561-M564 CarbonylContact O-C 3.6Å; N561-M564 WeakPolarHBondContact O-CA 3.45Å; N561-M564 PolarHBondContact O-N 2.72Å; N561-M564 VanDerWaalsContact OD1-CB 3.25Å; N561-M564 WeakPolarHBondContact OD1-CB 3.3Å; N561-M564 WeakPolarHBondContact OD1-CG 3.13Å; N561-M564 PolarHBondContact OD1-N 2.69Å; A562-M564 PolarHBondContact O-N 3.26Å; M564-K568 PolarHBondContact O-N 2.98Å |
| 565 | V | 98.2 | Very high | 96.2 | Very high | 14 Ų | 14 | 70.9 Ų | 70.9 | 9% | 0.085 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -60.7 | 169.4 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | M560 N561 A562 A567 K568 Y605 E608 L612 | M560-V565 HydrophobicContact CB-CG2 3.9Å; M560-V565 HydrophobicContact CE-CG2 4.3Å; N561-V565 PolarHBondContact O-N 3.11Å; A562-V565 WeakPolarHBondContact O-CB 3.26Å; A562-V565 PolarHBondContact O-N 3.32Å; V565-A567 PolarHBondContact O-N 3.13Å; V565-K568 WeakPolarHBondContact O-CB 3.42Å; V565-K568 PolarHBondContact O-N 3.11Å; V565-K568 VanDerWaalsContact O-N 3.11Å; V565-Y605 HydrophobicContact CG1-CD1 4Å; V565-E608 HydrophobicContact CG1-CB 4.3Å; V565-E608 HydrophobicContact CG1-CG 3.63Å; V565-E608 HydrophobicContact CG2-CG 4.2Å; V565-L612 HydrophobicContact CG2-CD1 3.7Å |
| 566 | W | 98.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 70.9 Ų | 70.9 | 2% | 0.019 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.3 | -47.6 | 179.3 | 170.6 | 84.5 | 0 | 0 | 0 | 112.9 | A562 F563 K568 D569 E570 L590 R593 W594 M597 Y605 | A562-W566 PolarHBondContact O-N 3.44Å; F563-W566 HydrophobicContact CD2-CE3 4.08Å; F563-W566 HydrophobicContact CD2-CZ3 4.13Å; F563-W566 HydrophobicContact CE2-CE3 4.16Å; F563-W566 AromaticContact CE2-CZ3 3.8Å; F563-W566 HydrophobicContact CE2-CZ3 3.8Å; W566-K568 PolarHBondContact O-N 3.11Å; W566-K568 VanDerWaalsContact O-N 3.13Å; W566-D569 PolarHBondContact O-N 3.25Å; W566-E570 HydrophobicContact CD2-CG 4.18Å; W566-E570 HydrophobicContact CG-CG 4.45Å; W566-E570 HydrophobicContact CZ2-CB 4.33Å; W566-E570 HydrophobicContact CZ2-CG 3.91Å; W566-E570 PolarHBondContact O-N 3.07Å; W566-E570 VanDerWaalsContact O-N 3.16Å; W566-L590 HydrophobicContact CH2-CB 4.2Å; W566-L590 HydrophobicContact CH2-CD2 3.71Å; W566-L590 VanDerWaalsContact CH2-O 3.25Å; W566-L590 WeakPolarHBondContact CH2-O 3.46Å; W566-L590 HydrophobicContact CZ2-CD2 4.48Å; W566-L590 HydrophobicContact CZ3-CB 3.89Å; W566-L590 HydrophobicContact CZ3-CD2 3.74Å; W566-L590 HydrophobicContact CZ3-CG 4.42Å; W566-L590 VanDerWaalsContact CZ3-O 3.27Å; W566-L590 WeakPolarHBondContact CZ3-O 3.4Å; W566-R593 HydrophobicContact CH2-CB 4.06Å; W566-R593 HydrophobicContact CH2-CG 4.32Å; W566-R593 HydrophobicContact CZ2-CB 4.27Å; W566-R593 HydrophobicContact CZ2-CG 4.01Å; W566-W594 HydrophobicContact CB-CE3 4.1Å; W566-W594 HydrophobicContact CB-CZ3 3.76Å; W566-W594 AromaticContact CD2-CE3 3.64Å; W566-W594 HydrophobicContact CD2-CE3 3.64Å; W566-W594 HydrophobicContact CD2-CZ3 4.18Å; W566-W594 HydrophobicContact CE3-CB 4.2Å; W566-W594 HydrophobicContact CE3-CD2 4.41Å; W566-W594 AromaticContact CE3-CE3 3.72Å; W566-W594 HydrophobicContact CE3-CE3 3.72Å; W566-W594 AromaticContact CG-CE3 3.83Å; W566-W594 HydrophobicContact CG-CE3 3.83Å; W566-W594 AromaticContact CG-CZ3 3.85Å; W566-W594 HydrophobicContact CG-CZ3 3.85Å; W566-W594 HydrophobicContact CH2-CB 3.96Å; W566-W594 HydrophobicContact CZ3-CB 3.71Å; W566-W594 HydrophobicContact CZ3-CE3 4.38Å; W566-M597 HydrophobicContact CD2-SD 4.5Å; W566-M597 HydrophobicContact CZ2-SD 3.73Å; W566-M597 PolarHBondContact NE1-SD 2.81Å; W566-M597 VanDerWaalsContact NE1-SD 3.44Å; W566-Y605 HydrophobicContact CB-CD1 3.72Å; W566-Y605 HydrophobicContact CB-CD2 4.26Å; W566-Y605 HydrophobicContact CB-CE1 3.92Å; W566-Y605 HydrophobicContact CB-CE2 4.44Å; W566-Y605 HydrophobicContact CB-CG 3.9Å; W566-Y605 AromaticContact CD1-CE2 3.66Å; W566-Y605 AromaticContact CD1-CZ 3.58Å; W566-Y605 HydrophobicContact CG-CE1 4.42Å; W566-Y605 HydrophobicContact CG-CE2 4.39Å |
| 567 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.3 | -4.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F563 V565 R571 L590 | F563-A567 HydrophobicContact CD1-CB 4.47Å; F563-A567 HydrophobicContact CE1-CB 4.18Å; F563-A567 HydrophobicContact CE2-CB 4.49Å; F563-A567 HydrophobicContact CZ-CB 4.2Å; F563-A567 WeakPolarHBondContact O-CA 3.31Å; F563-A567 WeakPolarHBondContact O-CB 2.82Å; F563-A567 PolarHBondContact O-N 3.46Å; V565-A567 PolarHBondContact O-N 3.13Å; A567-R571 WeakPolarHBondContact O-CB 3.32Å; A567-R571 PolarHBondContact O-N 3.38Å; A567-R571 PolarHBondContact O-NH1 3.49Å; A567-R571 VanDerWaalsContact O-NH1 3.12Å; A567-L590 HydrophobicContact CB-CD1 4.14Å |
| 568 | K | 96.8 | Very high | 97 | Very high | 118 Ų | 118 | 69.9 Ų | 69.9 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.6 | -39.6 | 172.2 | -176.3 | -160.5 | 166.8 | -151.2 | 0 | 111.2 | M564 V565 W566 R572 | M564-K568 PolarHBondContact O-N 2.98Å; V565-K568 WeakPolarHBondContact O-CB 3.42Å; V565-K568 PolarHBondContact O-N 3.11Å; V565-K568 VanDerWaalsContact O-N 3.11Å; W566-K568 PolarHBondContact O-N 3.11Å; W566-K568 VanDerWaalsContact O-N 3.13Å; K568-R572 PolarHBondContact O-NH2 2.73Å |
| 569 | D | 95.7 | Very high | 96.9 | Very high | 60 Ų | 60 | 67.1 Ų | 67.1 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -98.1 | -39.9 | -173.7 | -61.5 | -58.8 | 0 | 0 | 0 | 111.2 | W566 R571 R572 K573 | W566-D569 PolarHBondContact O-N 3.25Å; D569-R571 VanDerWaalsContact C-N 3.33Å; D569-R571 PolarHBondContact O-N 3.09Å; D569-R572 WeakPolarHBondContact O-CA 3.15Å; D569-R572 WeakPolarHBondContact O-CB 3.33Å; D569-R572 PolarHBondContact O-N 3.32Å; D569-R572 IonicContact OD1-CZ 2.72Å; D569-R572 IonicContact OD1-NH1 2.97Å; D569-R572 PolarHBondContact OD1-NH1 3.29Å; D569-R572 IonicContact OD1-NH2 2.74Å; D569-R572 PolarHBondContact OD1-NH2 3.43Å; D569-K573 PolarHBondContact O-N 3.48Å; D569-K573 VanDerWaalsContact O-N 3.08Å |
| 570 | E | 97.2 | Very high | 96.7 | Very high | 14 Ų | 14 | 72.3 Ų | 72.3 | 7% | 0.065 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.3 | -33.1 | 172.4 | -66.4 | -54.9 | 129.1 | 0 | 0 | 112.8 | W566 R572 K573 I574 L590 R593 | W566-E570 HydrophobicContact CD2-CG 4.18Å; W566-E570 HydrophobicContact CG-CG 4.45Å; W566-E570 HydrophobicContact CZ2-CB 4.33Å; W566-E570 HydrophobicContact CZ2-CG 3.91Å; W566-E570 PolarHBondContact O-N 3.07Å; W566-E570 VanDerWaalsContact O-N 3.16Å; E570-R572 VanDerWaalsContact C-N 3.28Å; E570-R572 PolarHBondContact O-N 2.88Å; E570-K573 PolarHBondContact O-N 3.31Å; E570-K573 WeakPolarHBondContact OE1-CE 3.23Å; E570-K573 IonicContact OE1-NZ 3.74Å; E570-K573 PolarHBondContact OE1-NZ 3.25Å; E570-K573 IonicContact OE2-NZ 2.7Å; E570-I574 WeakPolarHBondContact O-CG1 3.35Å; E570-I574 PolarHBondContact O-N 3.41Å; E570-I574 VanDerWaalsContact O-N 3.11Å; E570-L590 HydrophobicContact CB-CD2 3.53Å; E570-R593 IonicContact OE2-CZ 2.7Å; E570-R593 VanDerWaalsContact OE2-CZ 3.23Å; E570-R593 IonicContact OE2-NH1 3.64Å; E570-R593 PolarHBondContact OE2-NH1 2.82Å; E570-R593 IonicContact OE2-NH2 3.39Å; E570-R593 PolarHBondContact OE2-NH2 3.04Å |
| 571 | R | 97.8 | Very high | 96.6 | Very high | 57 Ų | 57 | 71.8 Ų | 71.8 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 169.1 | 177.9 | 178.4 | -83.1 | 103.8 | -7.7 | 111.1 | A567 D569 I574 L575 N583 I586 S587 L590 | A567-R571 WeakPolarHBondContact O-CB 3.32Å; A567-R571 PolarHBondContact O-N 3.38Å; A567-R571 PolarHBondContact O-NH1 3.49Å; A567-R571 VanDerWaalsContact O-NH1 3.12Å; D569-R571 VanDerWaalsContact C-N 3.33Å; D569-R571 PolarHBondContact O-N 3.09Å; R571-I574 PolarHBondContact O-N 3.33Å; R571-L575 HydrophobicContact CG-CD1 3.55Å; R571-L575 WeakPolarHBondContact O-CD1 3.39Å; R571-L575 PolarHBondContact O-N 3.39Å; R571-N583 PolarHBondContact NE-ND2 3Å; R571-N583 PolarHBondContact NE-OD1 3.14Å; R571-N583 VanDerWaalsContact NE-OD1 3.08Å; R571-N583 PolarHBondContact NH2-OD1 2.93Å; R571-I586 HydrophobicContact CG-CG2 4.16Å; R571-S587 PolarHBondContact NH2-OG 3.35Å; R571-L590 HydrophobicContact CB-CD1 3.88Å |
| 572 | R | 97 | Very high | 96.5 | Very high | 129 Ų | 129 | 73.5 Ų | 73.5 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | -178.7 | -164.1 | -178 | -49.7 | 110.2 | 28.2 | 111.4 | K568 D569 E570 I574 L575 Q576 | K568-R572 PolarHBondContact O-NH2 2.73Å; D569-R572 WeakPolarHBondContact O-CA 3.15Å; D569-R572 WeakPolarHBondContact O-CB 3.33Å; D569-R572 PolarHBondContact O-N 3.32Å; D569-R572 IonicContact OD1-CZ 2.72Å; D569-R572 IonicContact OD1-NH1 2.97Å; D569-R572 PolarHBondContact OD1-NH1 3.29Å; D569-R572 IonicContact OD1-NH2 2.74Å; D569-R572 PolarHBondContact OD1-NH2 3.43Å; E570-R572 VanDerWaalsContact C-N 3.28Å; E570-R572 PolarHBondContact O-N 2.88Å; R572-I574 VanDerWaalsContact C-N 3.32Å; R572-I574 PolarHBondContact O-N 2.88Å; R572-L575 PolarHBondContact O-N 3.45Å; R572-Q576 WeakPolarHBondContact O-CB 3.36Å; R572-Q576 PolarHBondContact O-N 2.94Å |
| 573 | K | 97.1 | Very high | 96.3 | Very high | 118 Ų | 118 | 76.9 Ų | 76.9 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58 | -42.9 | 173.3 | -65.1 | 176.4 | -175 | 173.8 | 0 | 111.9 | D569 E570 Q576 A577 | D569-K573 PolarHBondContact O-N 3.48Å; D569-K573 VanDerWaalsContact O-N 3.08Å; E570-K573 PolarHBondContact O-N 3.31Å; E570-K573 WeakPolarHBondContact OE1-CE 3.23Å; E570-K573 IonicContact OE1-NZ 3.74Å; E570-K573 PolarHBondContact OE1-NZ 3.25Å; E570-K573 IonicContact OE2-NZ 2.7Å; K573-Q576 PolarHBondContact O-N 2.86Å; K573-A577 PolarHBondContact O-N 2.96Å; K573-A577 VanDerWaalsContact O-N 3.12Å |
| 574 | I | 96.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 77.5 Ų | 77.5 | 11% | 0.108 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 178.2 | -62.7 | 166.6 | 0 | 0 | 0 | 111.8 | E570 R571 R572 Q576 A577 F578 I586 I589 L590 | E570-I574 WeakPolarHBondContact O-CG1 3.35Å; E570-I574 PolarHBondContact O-N 3.41Å; E570-I574 VanDerWaalsContact O-N 3.11Å; R571-I574 PolarHBondContact O-N 3.33Å; R572-I574 VanDerWaalsContact C-N 3.32Å; R572-I574 PolarHBondContact O-N 2.88Å; I574-Q576 VanDerWaalsContact C-N 3.27Å; I574-Q576 PolarHBondContact O-N 3.38Å; I574-A577 PolarHBondContact O-N 3.25Å; I574-F578 PolarHBondContact O-N 3.03Å; I574-I586 HydrophobicContact CB-CG2 4.04Å; I574-I586 HydrophobicContact CD1-CG2 3.88Å; I574-I586 HydrophobicContact CG2-CB 4.42Å; I574-I586 HydrophobicContact CG2-CD1 4.26Å; I574-I586 HydrophobicContact CG2-CG1 3.9Å; I574-I586 HydrophobicContact CG2-CG2 3.89Å; I574-I589 HydrophobicContact CD1-CG2 3.98Å; I574-L590 HydrophobicContact CD1-CD2 3.9Å; I574-L590 HydrophobicContact CD1-CG 4.09Å |
| 575 | L | 95.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 75.7 Ų | 75.7 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.8 | -28.5 | 172.4 | -86.2 | 92.9 | 0 | 0 | 0 | 112.9 | R571 R572 F578 P579 I586 | R571-L575 HydrophobicContact CG-CD1 3.55Å; R571-L575 WeakPolarHBondContact O-CD1 3.39Å; R571-L575 PolarHBondContact O-N 3.39Å; R572-L575 PolarHBondContact O-N 3.45Å; L575-F578 CarbonylContact O-C 3.58Å; L575-P579 WeakPolarHBondContact O-CA 3.31Å; L575-I586 HydrophobicContact CD1-CD1 3.43Å; L575-I586 VanDerWaalsContact CD1-CD1 3.43Å; L575-I586 HydrophobicContact CG-CD1 3.98Å |
| 576 | Q | 95.9 | Very high | 96.1 | Very high | 164 Ų | 164 | 75 Ų | 75 | 77% | 0.766 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -73.4 | -33.5 | 178.6 | -173.1 | 175.4 | 1.1 | 0 | 0 | 112.2 | R572 K573 I574 | R572-Q576 WeakPolarHBondContact O-CB 3.36Å; R572-Q576 PolarHBondContact O-N 2.94Å; K573-Q576 PolarHBondContact O-N 2.86Å; I574-Q576 VanDerWaalsContact C-N 3.27Å; I574-Q576 PolarHBondContact O-N 3.38Å |
| 577 | A | 96.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 76.9 Ų | 76.9 | 54% | 0.537 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -83.1 | -32.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K573 I574 | K573-A577 PolarHBondContact O-N 2.96Å; K573-A577 VanDerWaalsContact O-N 3.12Å; I574-A577 PolarHBondContact O-N 3.25Å |
| 578 | F | 93.7 | Very high | 96 | Very high | 125 Ų | 125 | 83.5 Ų | 83.5 | 55% | 0.548 | 42% | 0.42 | S | S | . | . | trans | -138.8 | 81.4 | -176.1 | -52.3 | -75.6 | 0 | 0 | 0 | 110 | I574 L575 D580 M581 | I574-F578 PolarHBondContact O-N 3.03Å; L575-F578 CarbonylContact O-C 3.58Å; F578-D580 VanDerWaalsContact C-N 3.32Å; F578-D580 PolarHBondContact O-N 2.94Å; F578-M581 HydrophobicContact CB-CB 3.76Å; F578-M581 HydrophobicContact CB-CE 4.46Å; F578-M581 VanDerWaalsContact O-CB 3.24Å; F578-M581 WeakPolarHBondContact O-CB 3.27Å; F578-M581 PolarHBondContact O-N 2.6Å; F578-M581 VanDerWaalsContact O-N 3.16Å | ||
| 579 | P | 94 | Very high | 96.1 | Very high | 90 Ų | 90 | 81.7 Ų | 81.7 | 58% | 0.584 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -38.5 | -172.7 | 21.6 | -32 | 0 | 0 | 0 | 113.3 | L575 M581 | L575-P579 WeakPolarHBondContact O-CA 3.31Å; P579-M581 VanDerWaalsContact C-N 3.25Å; P579-M581 PolarHBondContact O-N 2.78Å |
| 580 | D | 93.9 | Very high | 96.2 | Very high | 153 Ų | 153 | 78.9 Ų | 78.9 | 82% | 0.818 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -3.2 | -178.3 | -51 | -66.9 | 0 | 0 | 0 | 113.6 | F578 H582 | F578-D580 VanDerWaalsContact C-N 3.32Å; F578-D580 PolarHBondContact O-N 2.94Å; D580-H582 PolarHBondContact O-N 2.77Å |
| 581 | M | 93.8 | Very high | 96.2 | Very high | 68 Ų | 68 | 79.4 Ų | 79.4 | 34% | 0.335 | 41% | 0.409 | S | S | . | . | trans | -65.3 | 110.9 | -177 | -174.5 | 59.9 | 63.8 | 0 | 0 | 111.2 | F578 P579 N583 N585 I586 | F578-M581 HydrophobicContact CB-CB 3.76Å; F578-M581 HydrophobicContact CB-CE 4.46Å; F578-M581 VanDerWaalsContact O-CB 3.24Å; F578-M581 WeakPolarHBondContact O-CB 3.27Å; F578-M581 PolarHBondContact O-N 2.6Å; F578-M581 VanDerWaalsContact O-N 3.16Å; P579-M581 VanDerWaalsContact C-N 3.25Å; P579-M581 PolarHBondContact O-N 2.78Å; M581-N583 PolarHBondContact O-N 2.76Å; M581-N585 HydrophobicContact SD-CB 3.85Å; M581-I586 HydrophobicContact CB-CD1 4.19Å; M581-I586 HydrophobicContact CB-CG1 4.08Å; M581-I586 HydrophobicContact CG-CD1 4.2Å; M581-I586 HydrophobicContact CG-CG1 3.53Å; M581-I586 WeakPolarHBondContact O-CD1 3.18Å | ||
| 582 | H | 95.5 | Very high | 96.2 | Very high | 115 Ų | 115 | 80.5 Ų | 80.5 | 53% | 0.532 | 43% | 0.426 | S | S | . | . | trans | -57.5 | 134.1 | -175.9 | 179.5 | 72 | 0 | 0 | 0 | 112.9 | D580 S584 N585 I586 | D580-H582 PolarHBondContact O-N 2.77Å; H582-S584 VanDerWaalsContact CD2-CB 3.47Å; H582-S584 WeakPolarHBondContact CD2-CB 3.45Å; H582-S584 PolarHBondContact CD2-N 3Å; H582-S584 PolarHBondContact CD2-OG 3.05Å; H582-S584 WeakPolarHBondContact NE2-CB 3.44Å; H582-S584 PolarHBondContact NE2-OG 3.34Å; H582-S584 PolarHBondContact O-N 3.19Å; H582-N585 WeakPolarHBondContact O-CA 3.5Å; H582-N585 WeakPolarHBondContact O-CB 3.45Å; H582-N585 PolarHBondContact O-N 3.32Å; H582-I586 PolarHBondContact O-N 2.85Å | ||
| 583 | N | 94.2 | Very high | 96.3 | Very high | 72 Ų | 72 | 80 Ų | 80 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.5 | -26.9 | -168.7 | -149.8 | -80.7 | 0 | 0 | 0 | 114.6 | R571 M581 S587 | R571-N583 PolarHBondContact NE-ND2 3Å; R571-N583 PolarHBondContact NE-OD1 3.14Å; R571-N583 VanDerWaalsContact NE-OD1 3.08Å; R571-N583 PolarHBondContact NH2-OD1 2.93Å; M581-N583 PolarHBondContact O-N 2.76Å; N583-S587 VanDerWaalsContact O-CB 3.31Å; N583-S587 WeakPolarHBondContact O-CB 3.25Å; N583-S587 PolarHBondContact O-N 2.91Å; N583-S587 PolarHBondContact O-OG 3.42Å |
| 584 | S | 96.4 | Very high | 96.3 | Very high | 67 Ų | 67 | 75.9 Ų | 75.9 | 47% | 0.469 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.1 | -35.5 | 173.3 | -49 | 0 | 0 | 0 | 0 | 112.1 | H582 S587 K588 | H582-S584 VanDerWaalsContact CD2-CB 3.47Å; H582-S584 WeakPolarHBondContact CD2-CB 3.45Å; H582-S584 PolarHBondContact CD2-N 3Å; H582-S584 PolarHBondContact CD2-OG 3.05Å; H582-S584 WeakPolarHBondContact NE2-CB 3.44Å; H582-S584 PolarHBondContact NE2-OG 3.34Å; H582-S584 PolarHBondContact O-N 3.19Å; S584-S587 PolarHBondContact O-N 2.79Å; S584-K588 WeakPolarHBondContact O-CG 3.44Å; S584-K588 PolarHBondContact O-N 2.74Å; S584-K588 VanDerWaalsContact O-N 3.15Å |
| 585 | N | 97 | Very high | 96.4 | Very high | 61 Ų | 61 | 83 Ų | 83 | 33% | 0.326 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.7 | -44.2 | 174.4 | -69.9 | -16.5 | 0 | 0 | 0 | 111.1 | M581 H582 S587 K588 I589 | M581-N585 HydrophobicContact SD-CB 3.85Å; H582-N585 WeakPolarHBondContact O-CA 3.5Å; H582-N585 WeakPolarHBondContact O-CB 3.45Å; H582-N585 PolarHBondContact O-N 3.32Å; N585-S587 PolarHBondContact O-N 3.48Å; N585-K588 WeakPolarHBondContact O-CB 3Å; N585-K588 PolarHBondContact O-N 3.08Å; N585-K588 PolarHBondContact OD1-NZ 3.4Å; N585-I589 WeakPolarHBondContact O-CG1 3.5Å; N585-I589 PolarHBondContact O-N 3.42Å; N585-I589 VanDerWaalsContact O-N 3.08Å |
| 586 | I | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -55.1 | -41.5 | 171.9 | -53.9 | 174.8 | 0 | 0 | 0 | 110.7 | R571 I574 L575 M581 H582 K588 I589 L590 | R571-I586 HydrophobicContact CG-CG2 4.16Å; I574-I586 HydrophobicContact CB-CG2 4.04Å; I574-I586 HydrophobicContact CD1-CG2 3.88Å; I574-I586 HydrophobicContact CG2-CB 4.42Å; I574-I586 HydrophobicContact CG2-CD1 4.26Å; I574-I586 HydrophobicContact CG2-CG1 3.9Å; I574-I586 HydrophobicContact CG2-CG2 3.89Å; L575-I586 HydrophobicContact CD1-CD1 3.43Å; L575-I586 VanDerWaalsContact CD1-CD1 3.43Å; L575-I586 HydrophobicContact CG-CD1 3.98Å; M581-I586 HydrophobicContact CB-CD1 4.19Å; M581-I586 HydrophobicContact CB-CG1 4.08Å; M581-I586 HydrophobicContact CG-CD1 4.2Å; M581-I586 HydrophobicContact CG-CG1 3.53Å; M581-I586 WeakPolarHBondContact O-CD1 3.18Å; H582-I586 PolarHBondContact O-N 2.85Å; I586-K588 VanDerWaalsContact C-N 3.32Å; I586-K588 PolarHBondContact O-N 3.01Å; I586-I589 PolarHBondContact O-N 2.74Å; I586-L590 HydrophobicContact CG2-CD1 3.73Å; I586-L590 HydrophobicContact CG2-CG 4.15Å; I586-L590 WeakPolarHBondContact O-CB 3.41Å; I586-L590 VanDerWaalsContact O-CG 3.27Å; I586-L590 WeakPolarHBondContact O-CG 3.27Å; I586-L590 PolarHBondContact O-N 3.05Å |
| 587 | S | 97.5 | Very high | 96.6 | Very high | 45 Ų | 45 | 76.9 Ų | 76.9 | 32% | 0.315 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.2 | -26.1 | 179.4 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | R571 N583 S584 N585 G591 | R571-S587 PolarHBondContact NH2-OG 3.35Å; N583-S587 VanDerWaalsContact O-CB 3.31Å; N583-S587 WeakPolarHBondContact O-CB 3.25Å; N583-S587 PolarHBondContact O-N 2.91Å; N583-S587 PolarHBondContact O-OG 3.42Å; S584-S587 PolarHBondContact O-N 2.79Å; N585-S587 PolarHBondContact O-N 3.48Å; S587-G591 PolarHBondContact O-N 3.08Å; S587-G591 VanDerWaalsContact O-N 3.13Å |
| 588 | K | 98 | Very high | 96.6 | Very high | 138 Ų | 138 | 77.4 Ų | 77.4 | 60% | 0.6 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.9 | -52 | 167.2 | -63.9 | 167.1 | -172.3 | 164.4 | 0 | 110.5 | S584 N585 I586 L590 G591 S592 | S584-K588 WeakPolarHBondContact O-CG 3.44Å; S584-K588 PolarHBondContact O-N 2.74Å; S584-K588 VanDerWaalsContact O-N 3.15Å; N585-K588 WeakPolarHBondContact O-CB 3Å; N585-K588 PolarHBondContact O-N 3.08Å; N585-K588 PolarHBondContact OD1-NZ 3.4Å; I586-K588 VanDerWaalsContact C-N 3.32Å; I586-K588 PolarHBondContact O-N 3.01Å; K588-L590 PolarHBondContact O-N 3.12Å; K588-G591 WeakPolarHBondContact O-CA 3.25Å; K588-G591 PolarHBondContact O-N 3.3Å; K588-S592 PolarHBondContact O-N 3.42Å; K588-S592 PolarHBondContact O-OG 3Å |
| 589 | I | 97.3 | Very high | 96.7 | Very high | 81 Ų | 81 | 75.4 Ų | 75.4 | 42% | 0.415 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.8 | -48.3 | -178.7 | -63.2 | 166.2 | 0 | 0 | 0 | 110.7 | I574 N585 I586 G591 S592 R593 | I574-I589 HydrophobicContact CD1-CG2 3.98Å; N585-I589 WeakPolarHBondContact O-CG1 3.5Å; N585-I589 PolarHBondContact O-N 3.42Å; N585-I589 VanDerWaalsContact O-N 3.08Å; I586-I589 PolarHBondContact O-N 2.74Å; I589-G591 VanDerWaalsContact C-N 3.33Å; I589-G591 PolarHBondContact O-N 3.11Å; I589-S592 PolarHBondContact O-N 3.16Å; I589-R593 PolarHBondContact O-N 3.07Å |
| 590 | L | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 175.6 | -69.6 | 169.9 | 0 | 0 | 0 | 112.1 | F563 W566 A567 E570 R571 I574 I586 K588 S592 W594 | F563-L590 HydrophobicContact CE2-CB 4.45Å; F563-L590 HydrophobicContact CZ-CB 4.29Å; W566-L590 HydrophobicContact CH2-CB 4.2Å; W566-L590 HydrophobicContact CH2-CD2 3.71Å; W566-L590 VanDerWaalsContact CH2-O 3.25Å; W566-L590 WeakPolarHBondContact CH2-O 3.46Å; W566-L590 HydrophobicContact CZ2-CD2 4.48Å; W566-L590 HydrophobicContact CZ3-CB 3.89Å; W566-L590 HydrophobicContact CZ3-CD2 3.74Å; W566-L590 HydrophobicContact CZ3-CG 4.42Å; W566-L590 VanDerWaalsContact CZ3-O 3.27Å; W566-L590 WeakPolarHBondContact CZ3-O 3.4Å; A567-L590 HydrophobicContact CB-CD1 4.14Å; E570-L590 HydrophobicContact CB-CD2 3.53Å; R571-L590 HydrophobicContact CB-CD1 3.88Å; I574-L590 HydrophobicContact CD1-CD2 3.9Å; I574-L590 HydrophobicContact CD1-CG 4.09Å; I586-L590 HydrophobicContact CG2-CD1 3.73Å; I586-L590 HydrophobicContact CG2-CG 4.15Å; I586-L590 WeakPolarHBondContact O-CB 3.41Å; I586-L590 VanDerWaalsContact O-CG 3.27Å; I586-L590 WeakPolarHBondContact O-CG 3.27Å; I586-L590 PolarHBondContact O-N 3.05Å; K588-L590 PolarHBondContact O-N 3.12Å; L590-S592 PolarHBondContact O-N 3.43Å; L590-W594 WeakPolarHBondContact O-CB 3.36Å; L590-W594 PolarHBondContact O-N 2.81Å |
| 591 | G | 98.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 74.5 Ų | 74.5 | 25% | 0.247 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S587 K588 I589 K595 | S587-G591 PolarHBondContact O-N 3.08Å; S587-G591 VanDerWaalsContact O-N 3.13Å; K588-G591 WeakPolarHBondContact O-CA 3.25Å; K588-G591 PolarHBondContact O-N 3.3Å; I589-G591 VanDerWaalsContact C-N 3.33Å; I589-G591 PolarHBondContact O-N 3.11Å; G591-K595 WeakPolarHBondContact O-CG 3.36Å; G591-K595 PolarHBondContact O-N 3.03Å |
| 592 | S | 98 | Very high | 97.1 | Very high | 81 Ų | 81 | 72.3 Ų | 72.3 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70.6 | -48.1 | 175.5 | -62.3 | 0 | 0 | 0 | 0 | 112 | K588 I589 L590 W594 K595 A596 | K588-S592 PolarHBondContact O-N 3.42Å; K588-S592 PolarHBondContact O-OG 3Å; I589-S592 PolarHBondContact O-N 3.16Å; L590-S592 PolarHBondContact O-N 3.43Å; S592-W594 PolarHBondContact O-N 3.07Å; S592-K595 WeakPolarHBondContact O-CB 3.37Å; S592-K595 PolarHBondContact O-N 2.67Å; S592-K595 VanDerWaalsContact O-N 3.09Å; S592-A596 PolarHBondContact O-N 2.95Å; S592-A596 VanDerWaalsContact O-N 3.07Å |
| 593 | R | 97.9 | Very high | 97.2 | Very high | 117 Ų | 117 | 69.2 Ų | 69.2 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | -177.9 | -174.1 | 170.4 | 166 | -146.2 | -12.2 | 112.7 | W566 E570 I589 K595 A596 M597 | W566-R593 HydrophobicContact CH2-CB 4.06Å; W566-R593 HydrophobicContact CH2-CG 4.32Å; W566-R593 HydrophobicContact CZ2-CB 4.27Å; W566-R593 HydrophobicContact CZ2-CG 4.01Å; E570-R593 IonicContact OE2-CZ 2.7Å; E570-R593 VanDerWaalsContact OE2-CZ 3.23Å; E570-R593 IonicContact OE2-NH1 3.64Å; E570-R593 PolarHBondContact OE2-NH1 2.82Å; E570-R593 IonicContact OE2-NH2 3.39Å; E570-R593 PolarHBondContact OE2-NH2 3.04Å; I589-R593 PolarHBondContact O-N 3.07Å; R593-K595 VanDerWaalsContact C-N 3.3Å; R593-K595 PolarHBondContact O-N 3.39Å; R593-A596 PolarHBondContact O-N 3.26Å; R593-M597 WeakPolarHBondContact O-CG 3.41Å; R593-M597 PolarHBondContact O-N 3.44Å; R593-M597 VanDerWaalsContact O-N 3.11Å |
| 594 | W | 98.2 | Very high | 97.3 | Very high | 33 Ų | 33 | 69 Ų | 69 | 13% | 0.125 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -33.7 | 171.4 | 179.3 | -95.5 | 0 | 0 | 0 | 112.9 | A562 F563 W566 L590 S592 M597 K602 Y605 | A562-W594 HydrophobicContact CB-CH2 3.86Å; A562-W594 HydrophobicContact CB-CZ2 4.14Å; F563-W594 HydrophobicContact CB-CD2 4.43Å; F563-W594 HydrophobicContact CD2-CB 3.78Å; F563-W594 AromaticContact CD2-CD1 3.97Å; F563-W594 AromaticContact CD2-CD2 3.93Å; F563-W594 HydrophobicContact CD2-CD2 3.93Å; F563-W594 HydrophobicContact CD2-CE3 4.48Å; F563-W594 AromaticContact CD2-CG 3.59Å; F563-W594 HydrophobicContact CD2-CG 3.59Å; F563-W594 HydrophobicContact CE2-CB 3.91Å; F563-W594 HydrophobicContact CE2-CG 4.23Å; W566-W594 HydrophobicContact CB-CE3 4.1Å; W566-W594 HydrophobicContact CB-CZ3 3.76Å; W566-W594 AromaticContact CD2-CE3 3.64Å; W566-W594 HydrophobicContact CD2-CE3 3.64Å; W566-W594 HydrophobicContact CD2-CZ3 4.18Å; W566-W594 HydrophobicContact CE3-CB 4.2Å; W566-W594 HydrophobicContact CE3-CD2 4.41Å; W566-W594 AromaticContact CE3-CE3 3.72Å; W566-W594 HydrophobicContact CE3-CE3 3.72Å; W566-W594 AromaticContact CG-CE3 3.83Å; W566-W594 HydrophobicContact CG-CE3 3.83Å; W566-W594 AromaticContact CG-CZ3 3.85Å; W566-W594 HydrophobicContact CG-CZ3 3.85Å; W566-W594 HydrophobicContact CH2-CB 3.96Å; W566-W594 HydrophobicContact CZ3-CB 3.71Å; W566-W594 HydrophobicContact CZ3-CE3 4.38Å; L590-W594 WeakPolarHBondContact O-CB 3.36Å; L590-W594 PolarHBondContact O-N 2.81Å; S592-W594 PolarHBondContact O-N 3.07Å; W594-M597 HydrophobicContact CE3-SD 4.25Å; W594-K602 HydrophobicContact CE3-CG 4.4Å; W594-K602 HydrophobicContact CH2-CB 3.93Å; W594-K602 HydrophobicContact CH2-CG 3.74Å; W594-K602 HydrophobicContact CZ2-CB 4.23Å; W594-K602 HydrophobicContact CZ2-CD 4.15Å; W594-K602 HydrophobicContact CZ2-CG 3.84Å; W594-K602 HydrophobicContact CZ3-CG 4.03Å; W594-K602 WeakPolarHBondContact O-CE 3.43Å; W594-K602 PolarHBondContact O-NZ 2.94Å; W594-K602 VanDerWaalsContact O-NZ 3.09Å; W594-Y605 HydrophobicContact CZ3-CD2 4.12Å; W594-Y605 HydrophobicContact CZ3-CG 4.36Å |
| 595 | K | 98 | Very high | 97.4 | Very high | 171 Ų | 171 | 69.1 Ų | 69.1 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.3 | -43.8 | 174.1 | -75.9 | 174.4 | 176.8 | -174.3 | 0 | 111.3 | G591 S592 R593 K602 | G591-K595 WeakPolarHBondContact O-CG 3.36Å; G591-K595 PolarHBondContact O-N 3.03Å; S592-K595 WeakPolarHBondContact O-CB 3.37Å; S592-K595 PolarHBondContact O-N 2.67Å; S592-K595 VanDerWaalsContact O-N 3.09Å; R593-K595 VanDerWaalsContact C-N 3.3Å; R593-K595 PolarHBondContact O-N 3.39Å; K595-K602 PolarHBondContact O-NZ 2.98Å |
| 596 | A | 98.1 | Very high | 97.4 | Very high | 88 Ų | 88 | 69.2 Ų | 69.2 | 73% | 0.727 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69.1 | -29.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S592 R593 | S592-A596 PolarHBondContact O-N 2.95Å; S592-A596 VanDerWaalsContact O-N 3.07Å; R593-A596 PolarHBondContact O-N 3.26Å |
| 597 | M | 96.7 | Very high | 97.4 | Very high | 20 Ų | 20 | 74.6 Ų | 74.6 | 10% | 0.099 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -58 | 144.6 | 175.8 | -73.3 | 164.1 | 70 | 0 | 0 | 112.2 | W566 R593 W594 E601 K602 Y605 | W566-M597 HydrophobicContact CD2-SD 4.5Å; W566-M597 HydrophobicContact CZ2-SD 3.73Å; W566-M597 PolarHBondContact NE1-SD 2.81Å; W566-M597 VanDerWaalsContact NE1-SD 3.44Å; R593-M597 WeakPolarHBondContact O-CG 3.41Å; R593-M597 PolarHBondContact O-N 3.44Å; R593-M597 VanDerWaalsContact O-N 3.11Å; W594-M597 HydrophobicContact CE3-SD 4.25Å; M597-E601 HydrophobicContact CB-CB 4.22Å; M597-E601 HydrophobicContact CE-CB 3.77Å; M597-K602 HydrophobicContact CB-CG 4.3Å; M597-K602 VanDerWaalsContact O-CE 3.31Å; M597-K602 WeakPolarHBondContact O-CE 3.39Å; M597-K602 PolarHBondContact O-NZ 2.89Å; M597-Y605 HydrophobicContact CE-CE2 4.18Å |
| 598 | T | 97.1 | Very high | 97.4 | Very high | 76 Ų | 76 | 75.1 Ų | 75.1 | 47% | 0.466 | 38% | 0.384 | S | S | . | . | trans | -65.2 | 166.5 | 171.2 | 61.8 | 0 | 0 | 0 | 0 | 112.3 | L600 E601 K602 | T598-L600 VanDerWaalsContact C-N 3.29Å; T598-E601 WeakPolarHBondContact CB-OE2 3.28Å; T598-E601 WeakPolarHBondContact CG2-OE2 3.35Å; T598-E601 PolarHBondContact N-OE2 3.4Å; T598-E601 VanDerWaalsContact OG1-CG 3.3Å; T598-E601 WeakPolarHBondContact OG1-CG 3.24Å; T598-E601 PolarHBondContact OG1-N 3.49Å; T598-E601 VanDerWaalsContact OG1-N 3.13Å; T598-E601 PolarHBondContact OG1-OE2 3.16Å; T598-K602 WeakPolarHBondContact O-CD 3.46Å; T598-K602 VanDerWaalsContact O-CG 3.26Å; T598-K602 WeakPolarHBondContact O-CG 3.38Å; T598-K602 PolarHBondContact O-N 3.48Å | ||
| 599 | N | 94.9 | Very high | 97.4 | Very high | 82 Ų | 82 | 71 Ų | 71 | 44% | 0.439 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 172 | -66.4 | -39.2 | 0 | 0 | 0 | 111.7 | K602 Q603 | N599-K602 PolarHBondContact O-N 2.96Å; N599-K602 VanDerWaalsContact O-N 3.14Å; N599-Q603 PolarHBondContact O-N 3.37Å |
| 600 | L | 96.1 | Very high | 97.4 | Very high | 129 Ų | 129 | 69.1 Ų | 69.1 | 68% | 0.675 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 177 | -174.5 | 63.4 | 0 | 0 | 0 | 112.3 | T598 K602 Q603 | T598-L600 VanDerWaalsContact C-N 3.29Å; L600-K602 VanDerWaalsContact C-N 3.29Å; L600-K602 PolarHBondContact O-N 3.13Å; L600-Q603 WeakPolarHBondContact O-CB 3.25Å; L600-Q603 PolarHBondContact O-N 3.05Å |
| 601 | E | 96.7 | Very high | 97.4 | Very high | 96 Ų | 96 | 74.6 Ų | 74.6 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.1 | -27.5 | 173.8 | -70.8 | 165.6 | 95.6 | 0 | 0 | 113.2 | M597 T598 Y605 | M597-E601 HydrophobicContact CB-CB 4.22Å; M597-E601 HydrophobicContact CE-CB 3.77Å; T598-E601 WeakPolarHBondContact CB-OE2 3.28Å; T598-E601 WeakPolarHBondContact CG2-OE2 3.35Å; T598-E601 PolarHBondContact N-OE2 3.4Å; T598-E601 VanDerWaalsContact OG1-CG 3.3Å; T598-E601 WeakPolarHBondContact OG1-CG 3.24Å; T598-E601 PolarHBondContact OG1-N 3.49Å; T598-E601 VanDerWaalsContact OG1-N 3.13Å; T598-E601 PolarHBondContact OG1-OE2 3.16Å; E601-Y605 WeakPolarHBondContact O-CD2 3.11Å; E601-Y605 WeakPolarHBondContact O-CE2 3.33Å |
| 602 | K | 97.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 75 Ų | 75 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -79.3 | -27 | 177.5 | -69.3 | 163.6 | 175 | 147.4 | 0 | 112.7 | W594 K595 M597 T598 N599 L600 Y605 Y606 | W594-K602 HydrophobicContact CE3-CG 4.4Å; W594-K602 HydrophobicContact CH2-CB 3.93Å; W594-K602 HydrophobicContact CH2-CG 3.74Å; W594-K602 HydrophobicContact CZ2-CB 4.23Å; W594-K602 HydrophobicContact CZ2-CD 4.15Å; W594-K602 HydrophobicContact CZ2-CG 3.84Å; W594-K602 HydrophobicContact CZ3-CG 4.03Å; W594-K602 WeakPolarHBondContact O-CE 3.43Å; W594-K602 PolarHBondContact O-NZ 2.94Å; W594-K602 VanDerWaalsContact O-NZ 3.09Å; K595-K602 PolarHBondContact O-NZ 2.98Å; M597-K602 HydrophobicContact CB-CG 4.3Å; M597-K602 VanDerWaalsContact O-CE 3.31Å; M597-K602 WeakPolarHBondContact O-CE 3.39Å; M597-K602 PolarHBondContact O-NZ 2.89Å; T598-K602 WeakPolarHBondContact O-CD 3.46Å; T598-K602 VanDerWaalsContact O-CG 3.26Å; T598-K602 WeakPolarHBondContact O-CG 3.38Å; T598-K602 PolarHBondContact O-N 3.48Å; N599-K602 PolarHBondContact O-N 2.96Å; N599-K602 VanDerWaalsContact O-N 3.14Å; L600-K602 VanDerWaalsContact C-N 3.29Å; L600-K602 PolarHBondContact O-N 3.13Å; K602-Y605 WeakPolarHBondContact O-CB 3.46Å; K602-Y605 PolarHBondContact O-N 2.99Å; K602-Y606 HydrophobicContact CB-CD2 3.97Å; K602-Y606 HydrophobicContact CB-CE2 3.62Å; K602-Y606 WeakPolarHBondContact O-CD2 3.4Å; K602-Y606 PolarHBondContact O-N 3.4Å |
| 603 | Q | 96.7 | Very high | 97.3 | Very high | 51 Ų | 51 | 73.8 Ų | 73.8 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -47.2 | -53.4 | -175 | -176.5 | 59.8 | 16.2 | 0 | 0 | 115 | N599 L600 Y605 Y606 E607 | N599-Q603 PolarHBondContact O-N 3.37Å; L600-Q603 WeakPolarHBondContact O-CB 3.25Å; L600-Q603 PolarHBondContact O-N 3.05Å; Q603-Y605 PolarHBondContact O-N 2.88Å; Q603-Y605 VanDerWaalsContact O-N 3.11Å; Q603-Y606 WeakPolarHBondContact O-CB 3.48Å; Q603-Y606 PolarHBondContact O-N 3.26Å; Q603-E607 WeakPolarHBondContact CG-OE1 3.4Å; Q603-E607 PolarHBondContact NE2-OE1 2.92Å; Q603-E607 PolarHBondContact O-N 3.45Å |
| 604 | P | 97.4 | Very high | 97.2 | Very high | 66 Ų | 66 | 75.3 Ų | 75.3 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.7 | -26.6 | -179.8 | 23 | -34.8 | 0 | 0 | 0 | 113.4 | E608 | P604-E608 WeakPolarHBondContact O-CB 3.49Å; P604-E608 PolarHBondContact O-N 2.87Å |
| 605 | Y | 98.2 | Very high | 97.1 | Very high | 71 Ų | 71 | 78.4 Ų | 78.4 | 28% | 0.278 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -81.1 | -25.6 | 176.4 | -52.7 | -73.4 | 0 | 0 | 0 | 112.7 | A562 V565 W566 W594 M597 E601 K602 Q603 Q609 | A562-Y605 WeakPolarHBondContact CA-O 3.35Å; A562-Y605 VanDerWaalsContact CB-O 3.23Å; A562-Y605 WeakPolarHBondContact CB-O 3.28Å; V565-Y605 HydrophobicContact CG1-CD1 4Å; W566-Y605 HydrophobicContact CB-CD1 3.72Å; W566-Y605 HydrophobicContact CB-CD2 4.26Å; W566-Y605 HydrophobicContact CB-CE1 3.92Å; W566-Y605 HydrophobicContact CB-CE2 4.44Å; W566-Y605 HydrophobicContact CB-CG 3.9Å; W566-Y605 AromaticContact CD1-CE2 3.66Å; W566-Y605 AromaticContact CD1-CZ 3.58Å; W566-Y605 HydrophobicContact CG-CE1 4.42Å; W566-Y605 HydrophobicContact CG-CE2 4.39Å; W594-Y605 HydrophobicContact CZ3-CD2 4.12Å; W594-Y605 HydrophobicContact CZ3-CG 4.36Å; M597-Y605 HydrophobicContact CE-CE2 4.18Å; E601-Y605 WeakPolarHBondContact O-CD2 3.11Å; E601-Y605 WeakPolarHBondContact O-CE2 3.33Å; K602-Y605 WeakPolarHBondContact O-CB 3.46Å; K602-Y605 PolarHBondContact O-N 2.99Å; Q603-Y605 PolarHBondContact O-N 2.88Å; Q603-Y605 VanDerWaalsContact O-N 3.11Å; Y605-Q609 VanDerWaalsContact O-CB 3.28Å; Y605-Q609 WeakPolarHBondContact O-CB 3.31Å; Y605-Q609 PolarHBondContact O-N 2.73Å |
| 606 | Y | 97.9 | Very high | 97.1 | Very high | 63 Ų | 63 | 71.5 Ų | 71.5 | 25% | 0.247 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.3 | -39.5 | 168.3 | -74.4 | -63.3 | 0 | 0 | 0 | 111.6 | M151 A562 K602 Q603 Q609 A610 | M151-Y606 HydrophobicContact CE-CD1 3.87Å; M151-Y606 HydrophobicContact CE-CE1 3.95Å; M151-Y606 HydrophobicContact SD-CD1 3.72Å; M151-Y606 HydrophobicContact SD-CE1 4.25Å; M151-Y606 HydrophobicContact SD-CG 4Å; A562-Y606 HydrophobicContact CB-CD1 3.68Å; A562-Y606 HydrophobicContact CB-CE1 3.9Å; A562-Y606 HydrophobicContact CB-CG 4.16Å; K602-Y606 HydrophobicContact CB-CD2 3.97Å; K602-Y606 HydrophobicContact CB-CE2 3.62Å; K602-Y606 WeakPolarHBondContact O-CD2 3.4Å; K602-Y606 PolarHBondContact O-N 3.4Å; Q603-Y606 WeakPolarHBondContact O-CB 3.48Å; Q603-Y606 PolarHBondContact O-N 3.26Å; Y606-Q609 WeakPolarHBondContact O-CB 3.27Å; Y606-Q609 PolarHBondContact O-N 2.72Å; Y606-A610 PolarHBondContact O-N 2.7Å |
| 607 | E | 97.6 | Very high | 96.9 | Very high | 112 Ų | 112 | 71.9 Ų | 71.9 | 52% | 0.523 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 173.4 | -69.5 | 171.5 | -170.7 | 0 | 0 | 111.5 | Q603 Q609 A610 R611 | Q603-E607 WeakPolarHBondContact CG-OE1 3.4Å; Q603-E607 PolarHBondContact NE2-OE1 2.92Å; Q603-E607 PolarHBondContact O-N 3.45Å; E607-Q609 VanDerWaalsContact C-N 3.34Å; E607-Q609 PolarHBondContact O-N 3.36Å; E607-A610 WeakPolarHBondContact O-CB 3.44Å; E607-A610 PolarHBondContact O-N 2.97Å; E607-A610 VanDerWaalsContact O-N 3.11Å; E607-R611 PolarHBondContact O-N 3.25Å |
| 608 | E | 97 | Very high | 96.9 | Very high | 57 Ų | 57 | 77.8 Ų | 77.8 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65 | -35.7 | 175 | 176.9 | 57.3 | -168.7 | 0 | 0 | 112.2 | V565 P604 R611 L612 | V565-E608 HydrophobicContact CG1-CB 4.3Å; V565-E608 HydrophobicContact CG1-CG 3.63Å; V565-E608 HydrophobicContact CG2-CG 4.2Å; P604-E608 WeakPolarHBondContact O-CB 3.49Å; P604-E608 PolarHBondContact O-N 2.87Å; E608-R611 PolarHBondContact O-N 3.24Å; E608-R611 IonicContact OE1-CZ 3.52Å; E608-R611 IonicContact OE1-NE 2.9Å; E608-R611 IonicContact OE1-NH2 3.49Å; E608-R611 PolarHBondContact OE1-NH2 3.12Å; E608-R611 IonicContact OE2-CZ 3.35Å; E608-R611 IonicContact OE2-NE 2.66Å; E608-R611 PolarHBondContact OE2-NE 2.72Å; E608-R611 IonicContact OE2-NH2 2.72Å; E608-R611 PolarHBondContact OE2-NH2 3.25Å; E608-L612 HydrophobicContact CG-CD1 4.01Å; E608-L612 HydrophobicContact CG-CG 4.38Å; E608-L612 VanDerWaalsContact O-CB 3.31Å; E608-L612 WeakPolarHBondContact O-CB 3.45Å; E608-L612 VanDerWaalsContact O-CG 3.24Å; E608-L612 WeakPolarHBondContact O-CG 3.48Å; E608-L612 PolarHBondContact O-N 3.42Å; E608-L612 WeakPolarHBondContact OE1-CD1 3Å; E608-L612 WeakPolarHBondContact OE1-CG 3.38Å |
| 609 | Q | 97.5 | Very high | 96.9 | Very high | 52 Ų | 52 | 81.1 Ų | 81.1 | 24% | 0.243 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 169.1 | 170.8 | -170.7 | -91.1 | 0 | 0 | 111.4 | N561 A562 Y605 Y606 E607 L612 S613 | N561-Q609 VanDerWaalsContact CB-OE1 3.27Å; A562-Q609 HydrophobicContact CB-CB 4.26Å; Y605-Q609 VanDerWaalsContact O-CB 3.28Å; Y605-Q609 WeakPolarHBondContact O-CB 3.31Å; Y605-Q609 PolarHBondContact O-N 2.73Å; Y606-Q609 WeakPolarHBondContact O-CB 3.27Å; Y606-Q609 PolarHBondContact O-N 2.72Å; E607-Q609 VanDerWaalsContact C-N 3.34Å; E607-Q609 PolarHBondContact O-N 3.36Å; Q609-L612 PolarHBondContact O-N 2.92Å; Q609-S613 VanDerWaalsContact O-CB 3.29Å; Q609-S613 WeakPolarHBondContact O-CB 3.37Å; Q609-S613 PolarHBondContact O-N 3.31Å |
| 610 | A | 97.2 | Very high | 96.9 | Very high | 41 Ų | 41 | 80.7 Ų | 80.7 | 34% | 0.339 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y606 E607 S613 K614 | Y606-A610 PolarHBondContact O-N 2.7Å; E607-A610 WeakPolarHBondContact O-CB 3.44Å; E607-A610 PolarHBondContact O-N 2.97Å; E607-A610 VanDerWaalsContact O-N 3.11Å; A610-S613 PolarHBondContact O-N 2.88Å; A610-K614 WeakPolarHBondContact O-CB 3.42Å; A610-K614 PolarHBondContact O-N 2.9Å |
| 611 | R | 98.2 | Very high | 96.8 | Very high | 116 Ų | 116 | 78.3 Ų | 78.3 | 44% | 0.438 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 175.3 | -162.4 | -163.8 | 65.5 | 67 | 8.3 | 111.8 | E607 E608 K614 Q615 | E607-R611 PolarHBondContact O-N 3.25Å; E608-R611 PolarHBondContact O-N 3.24Å; E608-R611 IonicContact OE1-CZ 3.52Å; E608-R611 IonicContact OE1-NE 2.9Å; E608-R611 IonicContact OE1-NH2 3.49Å; E608-R611 PolarHBondContact OE1-NH2 3.12Å; E608-R611 IonicContact OE2-CZ 3.35Å; E608-R611 IonicContact OE2-NE 2.66Å; E608-R611 PolarHBondContact OE2-NE 2.72Å; E608-R611 IonicContact OE2-NH2 2.72Å; E608-R611 PolarHBondContact OE2-NH2 3.25Å; R611-K614 PolarHBondContact O-N 2.75Å; R611-Q615 WeakPolarHBondContact O-CB 3.44Å; R611-Q615 PolarHBondContact O-N 2.88Å |
| 612 | L | 97.2 | Very high | 96.6 | Very high | 33 Ų | 33 | 80.7 Ų | 80.7 | 17% | 0.173 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 176.3 | -73.3 | 170.7 | 0 | 0 | 0 | 112.4 | P559 M560 V565 E608 Q609 H616 | P559-L612 HydrophobicContact CB-CB 4.5Å; M560-L612 HydrophobicContact CB-CD1 4.35Å; M560-L612 HydrophobicContact CE-CD1 4.07Å; V565-L612 HydrophobicContact CG2-CD1 3.7Å; E608-L612 HydrophobicContact CG-CD1 4.01Å; E608-L612 HydrophobicContact CG-CG 4.38Å; E608-L612 VanDerWaalsContact O-CB 3.31Å; E608-L612 WeakPolarHBondContact O-CB 3.45Å; E608-L612 VanDerWaalsContact O-CG 3.24Å; E608-L612 WeakPolarHBondContact O-CG 3.48Å; E608-L612 PolarHBondContact O-N 3.42Å; E608-L612 WeakPolarHBondContact OE1-CD1 3Å; E608-L612 WeakPolarHBondContact OE1-CG 3.38Å; Q609-L612 PolarHBondContact O-N 2.92Å; L612-H616 WeakPolarHBondContact O-CB 3.47Å; L612-H616 PolarHBondContact O-N 3.41Å |
| 613 | S | 96.7 | Very high | 96.5 | Very high | 54 Ų | 54 | 82.7 Ų | 82.7 | 38% | 0.378 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 177.3 | -163.6 | 0 | 0 | 0 | 0 | 111.7 | Q609 A610 H616 L617 | Q609-S613 VanDerWaalsContact O-CB 3.29Å; Q609-S613 WeakPolarHBondContact O-CB 3.37Å; Q609-S613 PolarHBondContact O-N 3.31Å; A610-S613 PolarHBondContact O-N 2.88Å; S613-H616 PolarHBondContact O-N 3.43Å; S613-L617 PolarHBondContact O-N 3.44Å |
| 614 | K | 96.3 | Very high | 96.3 | Very high | 150 Ų | 150 | 87.7 Ų | 87.7 | 65% | 0.652 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.5 | -54.4 | 172.8 | -178.5 | -174.1 | 172.8 | -171.8 | 0 | 111.1 | A610 R611 H616 L617 E618 | A610-K614 WeakPolarHBondContact O-CB 3.42Å; A610-K614 PolarHBondContact O-N 2.9Å; R611-K614 PolarHBondContact O-N 2.75Å; K614-H616 PolarHBondContact O-N 3.29Å; K614-L617 PolarHBondContact O-N 2.99Å; K614-L617 VanDerWaalsContact O-N 3.13Å; K614-E618 VanDerWaalsContact O-CB 3.32Å; K614-E618 WeakPolarHBondContact O-CB 3.46Å; K614-E618 PolarHBondContact O-N 2.91Å |
| 615 | Q | 96.8 | Very high | 96.2 | Very high | 98 Ų | 98 | 90.2 Ų | 90.2 | 46% | 0.458 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.6 | -33.3 | 179.6 | -172.6 | 179.4 | 14.1 | 0 | 0 | 112 | R611 K619 | R611-Q615 WeakPolarHBondContact O-CB 3.44Å; R611-Q615 PolarHBondContact O-N 2.88Å; Q615-K619 VanDerWaalsContact O-CB 3.31Å; Q615-K619 WeakPolarHBondContact O-CB 3.41Å; Q615-K619 PolarHBondContact O-N 3.25Å |
| 616 | H | 97.2 | Very high | 95.8 | Very high | 25 Ų | 25 | 95 Ų | 95 | 12% | 0.116 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -69.5 | -45 | 176.1 | -171.4 | 82.8 | 0 | 0 | 0 | 112.8 | I556 K557 P559 L612 S613 K614 K619 Y620 Y623 | I556-H616 WeakPolarHBondContact CG2-CE1 3.4Å; K557-H616 PolarHBondContact O-CE1 3.24Å; P559-H616 HydrophobicContact CB-CB 4.06Å; P559-H616 HydrophobicContact CG-CB 4.22Å; L612-H616 WeakPolarHBondContact O-CB 3.47Å; L612-H616 PolarHBondContact O-N 3.41Å; S613-H616 PolarHBondContact O-N 3.43Å; K614-H616 PolarHBondContact O-N 3.29Å; H616-K619 PolarHBondContact O-N 3.42Å; H616-Y620 AromaticContact CE1-CD2 3.73Å; H616-Y620 AromaticContact ND1-CD2 3.84Å; H616-Y620 WeakPolarHBondContact O-CB 3.41Å; H616-Y620 PolarHBondContact O-N 2.91Å; H616-Y623 AromaticContact NE2-CD1 3.64Å; H616-Y623 AromaticContact NE2-CD2 3.69Å; H616-Y623 AromaticContact NE2-CE1 3.86Å; H616-Y623 AromaticContact NE2-CE2 3.91Å; H616-Y623 AromaticContact NE2-CG 3.53Å; H616-Y623 AromaticContact NE2-CZ 3.98Å |
| 617 | L | 94.9 | Very high | 95.2 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69 | -36 | 178 | -176.7 | 61.9 | 0 | 0 | 0 | 111.9 | S613 K614 Y620 P621 | S613-L617 PolarHBondContact O-N 3.44Å; K614-L617 PolarHBondContact O-N 2.99Å; K614-L617 VanDerWaalsContact O-N 3.13Å; L617-Y620 CarbonylContact O-C 3.58Å; L617-Y620 VanDerWaalsContact O-C 3.28Å; L617-Y620 PolarHBondContact O-N 3.18Å; L617-P621 VanDerWaalsContact O-CA 3.28Å; L617-P621 WeakPolarHBondContact O-CA 3.15Å; L617-P621 VanDerWaalsContact O-N 3.14Å |
| 618 | E | 95.9 | Very high | 94.4 | Very high | 143 Ų | 143 | 96.6 Ų | 96.6 | 67% | 0.668 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 174.1 | -179.7 | 169.5 | -147.9 | 0 | 0 | 112 | K614 | K614-E618 VanDerWaalsContact O-CB 3.32Å; K614-E618 WeakPolarHBondContact O-CB 3.46Å; K614-E618 PolarHBondContact O-N 2.91Å |
| 619 | K | 96.3 | Very high | 93.6 | Very high | 147 Ų | 147 | 98.1 Ų | 98.1 | 64% | 0.639 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -74.3 | -26.9 | 176.6 | -170.9 | 170.9 | -177.6 | 176.4 | 0 | 113.5 | Q615 H616 | Q615-K619 VanDerWaalsContact O-CB 3.31Å; Q615-K619 WeakPolarHBondContact O-CB 3.41Å; Q615-K619 PolarHBondContact O-N 3.25Å; H616-K619 PolarHBondContact O-N 3.42Å |
| 620 | Y | 95 | Very high | 92.3 | Very high | 72 Ų | 72 | 105.5 Ų | 105.5 | 28% | 0.282 | 50% | 0.504 | S | S | . | . | trans | -136.1 | 70.4 | -174.9 | -54.7 | -68.9 | 0 | 0 | 0 | 111.5 | I556 H616 L617 D622 Y623 | I556-Y620 HydrophobicContact CD1-CD1 3.48Å; I556-Y620 VanDerWaalsContact CD1-CD1 3.48Å; I556-Y620 HydrophobicContact CD1-CE1 3.9Å; I556-Y620 HydrophobicContact CD1-CG 3.94Å; I556-Y620 HydrophobicContact CG1-CD1 4Å; I556-Y620 HydrophobicContact CG1-CE1 3.95Å; I556-Y620 HydrophobicContact CG1-CG 4.41Å; I556-Y620 HydrophobicContact CG2-CD1 4.41Å; I556-Y620 HydrophobicContact CG2-CD2 3.79Å; I556-Y620 HydrophobicContact CG2-CE2 4.02Å; I556-Y620 HydrophobicContact CG2-CG 4Å; H616-Y620 AromaticContact CE1-CD2 3.73Å; H616-Y620 AromaticContact ND1-CD2 3.84Å; H616-Y620 WeakPolarHBondContact O-CB 3.41Å; H616-Y620 PolarHBondContact O-N 2.91Å; L617-Y620 CarbonylContact O-C 3.58Å; L617-Y620 VanDerWaalsContact O-C 3.28Å; L617-Y620 PolarHBondContact O-N 3.18Å; Y620-D622 VanDerWaalsContact C-N 3.26Å; Y620-D622 PolarHBondContact O-N 3.15Å; Y620-Y623 WeakPolarHBondContact O-CB 3.19Å; Y620-Y623 PolarHBondContact O-N 2.71Å | ||
| 621 | P | 95 | Very high | 91.3 | Very high | 79 Ų | 79 | 113.6 Ų | 113.6 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.6 | -174.4 | 23.7 | -34.5 | 0 | 0 | 0 | 114.1 | L617 Y623 | L617-P621 VanDerWaalsContact O-CA 3.28Å; L617-P621 WeakPolarHBondContact O-CA 3.15Å; L617-P621 VanDerWaalsContact O-N 3.14Å; P621-Y623 VanDerWaalsContact C-N 3.29Å |
| 622 | D | 92.6 | Very high | 90.4 | Very high | 147 Ų | 147 | 109.8 Ų | 109.8 | 79% | 0.786 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 9.8 | 173.8 | -72.6 | -59.2 | 0 | 0 | 0 | 113.9 | Y620 K624 | Y620-D622 VanDerWaalsContact C-N 3.26Å; Y620-D622 PolarHBondContact O-N 3.15Å; D622-K624 PolarHBondContact O-N 3.37Å; D622-K624 VanDerWaalsContact O-N 3.13Å |
| 623 | Y | 95 | Very high | 89.5 | Confident | 62 Ų | 62 | 108.9 Ų | 108.9 | 24% | 0.243 | 51% | 0.512 | C | S | . | . | trans | -60.5 | 120.3 | 177.7 | -176 | -103.7 | 0 | 0 | 0 | 111.5 | I556 R558 H616 Y620 P621 | I556-Y623 HydrophobicContact CB-CD2 3.94Å; I556-Y623 HydrophobicContact CB-CE2 3.91Å; I556-Y623 HydrophobicContact CD1-CD2 4.47Å; I556-Y623 HydrophobicContact CG2-CD2 3.45Å; I556-Y623 VanDerWaalsContact CG2-CD2 3.45Å; I556-Y623 HydrophobicContact CG2-CE2 3.56Å; I556-Y623 HydrophobicContact CG2-CG 4.45Å; I556-Y623 WeakPolarHBondContact O-CE2 3.32Å; R558-Y623 WeakPolarHBondContact CG-OH 3.13Å; H616-Y623 AromaticContact NE2-CD1 3.64Å; H616-Y623 AromaticContact NE2-CD2 3.69Å; H616-Y623 AromaticContact NE2-CE1 3.86Å; H616-Y623 AromaticContact NE2-CE2 3.91Å; H616-Y623 AromaticContact NE2-CG 3.53Å; H616-Y623 AromaticContact NE2-CZ 3.98Å; Y620-Y623 WeakPolarHBondContact O-CB 3.19Å; Y620-Y623 PolarHBondContact O-N 2.71Å; P621-Y623 VanDerWaalsContact C-N 3.29Å | ||
| 624 | K | 93 | Very high | 88.7 | Confident | 157 Ų | 157 | 109.4 Ų | 109.4 | 68% | 0.683 | 51% | 0.51 | S | S | * | . | trans | -126.2 | 118.6 | 172.9 | -172.1 | 169.7 | -175.9 | 173.4 | 0 | 109.7 | D622 K626 | D622-K624 PolarHBondContact O-N 3.37Å; D622-K624 VanDerWaalsContact O-N 3.13Å; K624-K626 WeakPolarHBondContact O-CG 3.31Å; K624-K626 PolarHBondContact O-N 3.02Å | ||
| 625 | Y | 94.9 | Very high | 88 | Confident | 118 Ų | 118 | 103.2 Ų | 103.2 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | trans | -59.2 | 110.6 | 174.1 | 171.2 | -133 | 0 | 0 | 0 | 110.7 | R558 P627 | R558-Y625 VanDerWaalsContact CZ-CZ 3.48Å; R558-Y625 VanDerWaalsContact NH1-CZ 3.33Å; R558-Y625 PolarHBondContact NH1-OH 3.08Å; R558-Y625 PolarHBondContact NH2-OH 3.02Å; Y625-P627 HydrophobicContact CE1-CB 4.33Å; Y625-P627 HydrophobicContact CE2-CB 4.14Å; Y625-P627 WeakPolarHBondContact O-CD 3.08Å | ||
| 626 | K | 89.1 | Confident | 87.3 | Confident | 171 Ų | 171 | 104.1 Ų | 104.1 | 74% | 0.743 | 49% | 0.493 | S | S | * | . | trans | -107.9 | 93.8 | 177.1 | -71.3 | 163.4 | -174.2 | 172.6 | 0 | 108.2 | K624 R628 | K624-K626 WeakPolarHBondContact O-CG 3.31Å; K624-K626 PolarHBondContact O-N 3.02Å; K626-R628 PolarHBondContact O-N 3.46Å | ||
| 627 | P | 85.8 | Confident | 86.5 | Confident | 87 Ų | 87 | 105.8 Ų | 105.8 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | trans | -60.1 | 125.7 | -179 | 21.8 | -32.4 | 0 | 0 | 0 | 111.5 | Y625 | Y625-P627 HydrophobicContact CE1-CB 4.33Å; Y625-P627 HydrophobicContact CE2-CB 4.14Å; Y625-P627 WeakPolarHBondContact O-CD 3.08Å | ||
| 628 | R | 80.1 | Confident | 86 | Confident | 123 Ų | 123 | 108.3 Ų | 108.3 | 46% | 0.464 | 52% | 0.524 | S | S | . | . | trans | -81.2 | 125.8 | 178.5 | -169.3 | 172.8 | 174.9 | -65.3 | -29.6 | 110.3 | K626 K630 T632 C633 | K626-R628 PolarHBondContact O-N 3.46Å; R628-K630 PolarHBondContact O-N 2.82Å; R628-K630 VanDerWaalsContact O-N 3.11Å; R628-T632 PolarHBondContact NH1-O 3.21Å; R628-T632 VanDerWaalsContact NH2-C 3.31Å; R628-T632 PolarHBondContact NH2-O 3.02Å; R628-T632 PolarHBondContact NH2-OG1 2.97Å; R628-C633 VanDerWaalsContact NH2-CA 3.27Å; R628-C633 PolarHBondContact NH2-O 3.01Å | ||
| 629 | P | 81 | Confident | 85.4 | Confident | 88 Ų | 88 | 109.9 Ų | 109.9 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | trans | -58 | 115.1 | -178 | -28.1 | 36.4 | 0 | 0 | 0 | 113 | R631 T632 | P629-R631 PolarHBondContact O-N 3.45Å; P629-T632 HydrophobicContact CB-CG2 4.43Å; P629-T632 PolarHBondContact O-N 2.94Å; P629-T632 PolarHBondContact O-OG1 2.95Å | ||
| 630 | K | 70.3 | Confident | 84.7 | Confident | 207 Ų | 207 | 104 Ų | 104 | 90% | 0.9 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32 | -168.3 | -68.3 | -175.9 | 178.5 | 179.8 | 0 | 114.7 | R628 T632 | R628-K630 PolarHBondContact O-N 2.82Å; R628-K630 VanDerWaalsContact O-N 3.11Å; K630-T632 VanDerWaalsContact C-N 3.29Å; K630-T632 PolarHBondContact O-N 3.13Å |
| 631 | R | 76.7 | Confident | 84.3 | Confident | 211 Ų | 211 | 108.6 Ų | 108.6 | 80% | 0.796 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 14.8 | -179 | -66.2 | -174.4 | -178.8 | 142.3 | -1.5 | 114.4 | P629 R641 I642 | P629-R631 PolarHBondContact O-N 3.45Å; R631-R641 CarbonylContact O-C 3.47Å; R631-R641 VanDerWaalsContact O-CA 3.31Å; R631-R641 WeakPolarHBondContact O-CA 3.46Å; R631-I642 HydrophobicContact CB-CG2 4.36Å; R631-I642 PolarHBondContact O-N 3.35Å |
| 632 | T | 78 | Confident | 83.7 | Confident | 37 Ų | 37 | 108.5 Ų | 108.5 | 23% | 0.227 | 52% | 0.515 | C | S | . | . | B | Isolated β-bridge | trans | -120 | 150.9 | 175.7 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | R628 P629 K630 L640 | R628-T632 PolarHBondContact NH1-O 3.21Å; R628-T632 VanDerWaalsContact NH2-C 3.31Å; R628-T632 PolarHBondContact NH2-O 3.02Å; R628-T632 PolarHBondContact NH2-OG1 2.97Å; P629-T632 HydrophobicContact CB-CG2 4.43Å; P629-T632 PolarHBondContact O-N 2.94Å; P629-T632 PolarHBondContact O-OG1 2.95Å; K630-T632 VanDerWaalsContact C-N 3.29Å; K630-T632 PolarHBondContact O-N 3.13Å; T632-L640 CarbonylContact C-O 3.6Å; T632-L640 WeakPolarHBondContact CA-O 3.39Å; T632-L640 VanDerWaalsContact CB-O 3.28Å; T632-L640 WeakPolarHBondContact CB-O 3.35Å |
| 633 | C | 78.1 | Confident | 83.4 | Confident | 14 Ų | 14 | 103.7 Ų | 103.7 | 10% | 0.095 | 50% | 0.5 | C | S | . | . | trans | -106.9 | -179.2 | 160.1 | 79 | 0 | 0 | 0 | 0 | 110.2 | R628 L640 Y645 | R628-C633 VanDerWaalsContact NH2-CA 3.27Å; R628-C633 PolarHBondContact NH2-O 3.01Å; C633-L640 PolarHBondContact N-O 2.96Å; C633-L640 PolarHBondContact O-N 3.45Å; C633-Y645 HydrophobicContact CB-CD1 4.5Å; C633-Y645 HydrophobicContact CB-CD2 3.92Å; C633-Y645 HydrophobicContact CB-CE2 4.46Å; C633-Y645 HydrophobicContact CB-CG 3.91Å; C633-Y645 VanDerWaalsContact SG-CB 3.56Å; C633-Y645 WeakPolarHBondContact SG-CD2 3.4Å | ||
| 634 | L | 81.5 | Confident | 83.2 | Confident | 64 Ų | 64 | 104 Ų | 104 | 34% | 0.335 | 50% | 0.504 | S | S | . | . | trans | -128.2 | 117.2 | 163.5 | -81.4 | 155.7 | 0 | 0 | 0 | 106.2 | R549 K638 K639 | R549-L634 PolarHBondContact NH1-O 3.48Å; R549-L634 PolarHBondContact NH2-O 3.42Å; L634-K638 WeakPolarHBondContact CA-O 3.46Å; L634-K639 HydrophobicContact CD2-CB 4.39Å; L634-K639 HydrophobicContact CD2-CG 3.51Å; L634-K639 HydrophobicContact CG-CG 4.39Å | ||
| 635 | V | 80.5 | Confident | 82.9 | Confident | 20 Ų | 20 | 100.4 Ų | 100.4 | 12% | 0.121 | 49% | 0.487 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 127.7 | 174.8 | 169.3 | 0 | 0 | 0 | 0 | 106.5 | G637 K638 Y645 | V635-G637 VanDerWaalsContact C-N 3.28Å; V635-G637 PolarHBondContact O-N 2.82Å; V635-K638 PolarHBondContact N-O 3.41Å; V635-K638 WeakPolarHBondContact O-CA 3.5Å; V635-K638 WeakPolarHBondContact O-CB 3.35Å; V635-K638 PolarHBondContact O-N 2.97Å; V635-Y645 HydrophobicContact CG2-CD2 3.53Å; V635-Y645 HydrophobicContact CG2-CE2 3.49Å; V635-Y645 VanDerWaalsContact CG2-CE2 3.49Å |
| 636 | D | 81.5 | Confident | 82.6 | Confident | 117 Ų | 117 | 101.5 Ų | 101.5 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 49.7 | 173.5 | -45.6 | -21.6 | 0 | 0 | 0 | 112.4 | K638 | D636-K638 PolarHBondContact O-N 3.43Š|
| 637 | G | 82.1 | Confident | 82.7 | Confident | 61 Ų | 61 | 95.8 Ų | 95.8 | 63% | 0.629 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | -29.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V635 | V635-G637 VanDerWaalsContact C-N 3.28Å; V635-G637 PolarHBondContact O-N 2.82Å |
| 638 | K | 83.6 | Confident | 82.9 | Confident | 150 Ų | 150 | 95.2 Ų | 95.2 | 65% | 0.652 | 47% | 0.47 | S | S | * | . | B | Isolated β-bridge | trans | -77 | 136.3 | -173.1 | -61.7 | 173.5 | -176 | 175.7 | 0 | 112.1 | L634 V635 D636 L640 | L634-K638 WeakPolarHBondContact CA-O 3.46Å; V635-K638 PolarHBondContact N-O 3.41Å; V635-K638 WeakPolarHBondContact O-CA 3.5Å; V635-K638 WeakPolarHBondContact O-CB 3.35Å; V635-K638 PolarHBondContact O-N 2.97Å; D636-K638 PolarHBondContact O-N 3.43Å; K638-L640 HydrophobicContact CB-CD1 3.59Å; K638-L640 PolarHBondContact O-N 2.92Å |
| 639 | K | 82.7 | Confident | 83.1 | Confident | 175 Ų | 175 | 92.5 Ų | 92.5 | 76% | 0.761 | 46% | 0.463 | S | S | * | . | trans | -85.5 | 91.8 | 174.1 | -70.5 | 171.9 | -174.7 | 164.5 | 0 | 109.7 | L634 | L634-K639 HydrophobicContact CD2-CB 4.39Å; L634-K639 HydrophobicContact CD2-CG 3.51Å; L634-K639 HydrophobicContact CG-CG 4.39Å | ||
| 640 | L | 82.8 | Confident | 83.6 | Confident | 25 Ų | 25 | 96 Ų | 96 | 13% | 0.131 | 47% | 0.465 | C | S | . | . | trans | -88.7 | 153.5 | 175.1 | -88.4 | 63.4 | 0 | 0 | 0 | 111.2 | T632 C633 K638 E644 I648 | T632-L640 CarbonylContact C-O 3.6Å; T632-L640 WeakPolarHBondContact CA-O 3.39Å; T632-L640 VanDerWaalsContact CB-O 3.28Å; T632-L640 WeakPolarHBondContact CB-O 3.35Å; C633-L640 PolarHBondContact N-O 2.96Å; C633-L640 PolarHBondContact O-N 3.45Å; K638-L640 HydrophobicContact CB-CD1 3.59Å; K638-L640 PolarHBondContact O-N 2.92Å; L640-E644 WeakPolarHBondContact CA-OE2 3.34Å; L640-E644 HydrophobicContact CB-CB 4.03Å; L640-E644 HydrophobicContact CD2-CB 3.98Å; L640-E644 HydrophobicContact CG-CB 3.98Å; L640-I648 HydrophobicContact CD2-CD1 3.51Å; L640-I648 HydrophobicContact CD2-CG1 4.44Å | ||
| 641 | R | 85.5 | Confident | 84.6 | Confident | 168 Ų | 168 | 90 Ų | 90 | 63% | 0.634 | 44% | 0.443 | S | S | * | . | B | Isolated β-bridge | trans | -68.7 | 159 | 163.2 | -60.8 | -177.4 | -176.5 | 87.7 | -8 | 110.4 | R631 G643 E644 Y645 | R631-R641 CarbonylContact O-C 3.47Å; R631-R641 VanDerWaalsContact O-CA 3.31Å; R631-R641 WeakPolarHBondContact O-CA 3.46Å; R641-G643 PolarHBondContact O-N 3.35Å; R641-E644 HydrophobicContact CB-CG 4.3Å; R641-E644 VanDerWaalsContact CB-OE1 3.32Å; R641-E644 WeakPolarHBondContact CB-OE1 3.5Å; R641-E644 WeakPolarHBondContact CD-OE1 3.24Å; R641-E644 WeakPolarHBondContact CG-OE1 3.5Å; R641-E644 IonicContact CZ-OE1 3.66Å; R641-E644 PolarHBondContact N-OE2 3.08Å; R641-E644 IonicContact NE-OE1 3.83Å; R641-E644 IonicContact NH1-OE1 2.72Å; R641-E644 PolarHBondContact NH1-OE1 2.87Å; R641-E644 PolarHBondContact O-N 3.44Å; R641-Y645 PolarHBondContact O-N 3.28Å |
| 642 | I | 83 | Confident | 85.2 | Confident | 76 Ų | 76 | 86.3 Ų | 86.3 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.9 | -25.5 | 178.8 | -168.9 | 61.4 | 0 | 0 | 0 | 113 | R631 Y645 K646 | R631-I642 HydrophobicContact CB-CG2 4.36Å; R631-I642 PolarHBondContact O-N 3.35Å; I642-Y645 HydrophobicContact CD1-CD1 3.94Å; I642-K646 WeakPolarHBondContact O-CB 3.4Å; I642-K646 WeakPolarHBondContact O-CG 3.46Å; I642-K646 PolarHBondContact O-N 3.31Å; I642-K646 VanDerWaalsContact O-N 3.1Å |
| 643 | G | 86.7 | Confident | 85.7 | Confident | 46 Ų | 46 | 93.8 Ų | 93.8 | 47% | 0.474 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.6 | -53.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R641 Y645 K646 A647 | R641-G643 PolarHBondContact O-N 3.35Å; G643-Y645 VanDerWaalsContact C-N 3.26Å; G643-Y645 PolarHBondContact O-N 3.1Å; G643-K646 PolarHBondContact O-N 3.34Å; G643-K646 VanDerWaalsContact O-N 3.08Å; G643-A647 PolarHBondContact O-N 3.16Å |
| 644 | E | 89.5 | Confident | 86.3 | Confident | 70 Ų | 70 | 97.8 Ų | 97.8 | 33% | 0.327 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -55.2 | -41.4 | 174.8 | -64.3 | 147.8 | -147 | 0 | 0 | 111.5 | L640 R641 A647 I648 | L640-E644 WeakPolarHBondContact CA-OE2 3.34Å; L640-E644 HydrophobicContact CB-CB 4.03Å; L640-E644 HydrophobicContact CD2-CB 3.98Å; L640-E644 HydrophobicContact CG-CB 3.98Å; R641-E644 HydrophobicContact CB-CG 4.3Å; R641-E644 VanDerWaalsContact CB-OE1 3.32Å; R641-E644 WeakPolarHBondContact CB-OE1 3.5Å; R641-E644 WeakPolarHBondContact CD-OE1 3.24Å; R641-E644 WeakPolarHBondContact CG-OE1 3.5Å; R641-E644 IonicContact CZ-OE1 3.66Å; R641-E644 PolarHBondContact N-OE2 3.08Å; R641-E644 IonicContact NE-OE1 3.83Å; R641-E644 IonicContact NH1-OE1 2.72Å; R641-E644 PolarHBondContact NH1-OE1 2.87Å; R641-E644 PolarHBondContact O-N 3.44Å; E644-A647 WeakPolarHBondContact O-CB 3.19Å; E644-A647 PolarHBondContact O-N 3.04Å; E644-I648 PolarHBondContact O-N 2.82Å |
| 645 | Y | 87 | Confident | 86.5 | Confident | 80 Ų | 80 | 98.5 Ų | 98.5 | 31% | 0.314 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 173.3 | -178.5 | -113.4 | 0 | 0 | 0 | 113.2 | C633 V635 R641 I642 G643 A647 I648 M649 | C633-Y645 HydrophobicContact CB-CD1 4.5Å; C633-Y645 HydrophobicContact CB-CD2 3.92Å; C633-Y645 HydrophobicContact CB-CE2 4.46Å; C633-Y645 HydrophobicContact CB-CG 3.91Å; C633-Y645 VanDerWaalsContact SG-CB 3.56Å; C633-Y645 WeakPolarHBondContact SG-CD2 3.4Å; V635-Y645 HydrophobicContact CG2-CD2 3.53Å; V635-Y645 HydrophobicContact CG2-CE2 3.49Å; V635-Y645 VanDerWaalsContact CG2-CE2 3.49Å; R641-Y645 PolarHBondContact O-N 3.28Å; I642-Y645 HydrophobicContact CD1-CD1 3.94Å; G643-Y645 VanDerWaalsContact C-N 3.26Å; G643-Y645 PolarHBondContact O-N 3.1Å; Y645-A647 VanDerWaalsContact C-N 3.27Å; Y645-A647 PolarHBondContact O-N 3.38Å; Y645-I648 PolarHBondContact O-N 2.84Å; Y645-M649 HydrophobicContact CD2-CG 4.13Å; Y645-M649 HydrophobicContact CE1-CG 4.21Å; Y645-M649 HydrophobicContact CE2-CE 3.62Å; Y645-M649 HydrophobicContact CE2-CG 3.72Å; Y645-M649 WeakPolarHBondContact O-CB 3.44Å; Y645-M649 WeakPolarHBondContact O-CG 3.47Å; Y645-M649 PolarHBondContact O-N 3.43Å |
| 646 | K | 89.6 | Confident | 86.4 | Confident | 142 Ų | 142 | 103.3 Ų | 103.3 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.9 | -32.5 | 177.4 | -79.6 | -173.9 | 172.2 | -166.6 | 0 | 111.6 | I642 G643 R650 | I642-K646 WeakPolarHBondContact O-CB 3.4Å; I642-K646 WeakPolarHBondContact O-CG 3.46Å; I642-K646 PolarHBondContact O-N 3.31Å; I642-K646 VanDerWaalsContact O-N 3.1Å; G643-K646 PolarHBondContact O-N 3.34Å; G643-K646 VanDerWaalsContact O-N 3.08Å; K646-R650 VanDerWaalsContact O-CB 3.26Å; K646-R650 WeakPolarHBondContact O-CB 3.39Å; K646-R650 PolarHBondContact O-N 3.18Å |
| 647 | A | 91.2 | Very high | 86.4 | Confident | 50 Ų | 50 | 107.1 Ų | 107.1 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -52.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G643 E644 Y645 M649 R650 N651 | G643-A647 PolarHBondContact O-N 3.16Å; E644-A647 WeakPolarHBondContact O-CB 3.19Å; E644-A647 PolarHBondContact O-N 3.04Å; Y645-A647 VanDerWaalsContact C-N 3.27Å; Y645-A647 PolarHBondContact O-N 3.38Å; A647-M649 PolarHBondContact O-N 2.87Å; A647-R650 PolarHBondContact O-N 2.7Å; A647-R650 VanDerWaalsContact O-N 3.12Å; A647-N651 PolarHBondContact O-N 3.39Å |
| 648 | I | 89.1 | Confident | 86.1 | Confident | 76 Ų | 76 | 110.6 Ų | 110.6 | 39% | 0.39 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 177.4 | -67.1 | -174.9 | 0 | 0 | 0 | 111.6 | L640 E644 Y645 R650 N651 R652 | L640-I648 HydrophobicContact CD2-CD1 3.51Å; L640-I648 HydrophobicContact CD2-CG1 4.44Å; E644-I648 PolarHBondContact O-N 2.82Å; Y645-I648 PolarHBondContact O-N 2.84Å; I648-R650 VanDerWaalsContact C-N 3.28Å; I648-R650 PolarHBondContact O-N 3.16Å; I648-N651 PolarHBondContact O-N 2.87Å; I648-R652 WeakPolarHBondContact O-CB 3.36Å; I648-R652 PolarHBondContact O-N 3.3Å |
| 649 | M | 85.1 | Confident | 85.2 | Confident | 65 Ų | 65 | 111.9 Ų | 111.9 | 32% | 0.32 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.4 | -18.9 | 177.8 | -70.9 | -66.5 | 172.6 | 0 | 0 | 113.6 | Y645 A647 R653 | Y645-M649 HydrophobicContact CD2-CG 4.13Å; Y645-M649 HydrophobicContact CE1-CG 4.21Å; Y645-M649 HydrophobicContact CE2-CE 3.62Å; Y645-M649 HydrophobicContact CE2-CG 3.72Å; Y645-M649 WeakPolarHBondContact O-CB 3.44Å; Y645-M649 WeakPolarHBondContact O-CG 3.47Å; Y645-M649 PolarHBondContact O-N 3.43Å; A647-M649 PolarHBondContact O-N 2.87Å; M649-R653 WeakPolarHBondContact O-CG 3.26Å |
| 650 | R | 91.6 | Very high | 84.1 | Confident | 161 Ų | 161 | 112 Ų | 112 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -77.4 | -48.4 | 166.6 | -173.4 | -171.5 | -76 | 128.8 | -10.7 | 110.2 | K646 A647 I648 R652 R653 Q654 | K646-R650 VanDerWaalsContact O-CB 3.26Å; K646-R650 WeakPolarHBondContact O-CB 3.39Å; K646-R650 PolarHBondContact O-N 3.18Å; A647-R650 PolarHBondContact O-N 2.7Å; A647-R650 VanDerWaalsContact O-N 3.12Å; I648-R650 VanDerWaalsContact C-N 3.28Å; I648-R650 PolarHBondContact O-N 3.16Å; R650-R652 VanDerWaalsContact C-N 3.35Å; R650-R652 PolarHBondContact O-N 2.86Å; R650-R653 WeakPolarHBondContact O-CB 3.38Å; R650-R653 PolarHBondContact O-N 3.41Å; R650-Q654 PolarHBondContact O-N 3.02Å |
| 651 | N | 90.7 | Very high | 83.1 | Confident | 83 Ų | 83 | 117.4 Ų | 117.4 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 179.4 | -157.3 | 46.3 | 0 | 0 | 0 | 111.3 | A647 I648 R653 Q654 E655 | A647-N651 PolarHBondContact O-N 3.39Å; I648-N651 PolarHBondContact O-N 2.87Å; N651-R653 PolarHBondContact O-N 3.12Å; N651-R653 VanDerWaalsContact O-N 3.16Å; N651-Q654 CarbonylContact O-C 3.52Å; N651-Q654 WeakPolarHBondContact O-CA 3.44Å; N651-Q654 WeakPolarHBondContact O-CB 3.37Å; N651-Q654 PolarHBondContact O-N 2.89Å; N651-E655 PolarHBondContact ND2-OE1 3.15Å; N651-E655 WeakPolarHBondContact O-CG 3.14Å; N651-E655 PolarHBondContact O-N 3.08Å |
| 652 | R | 89.8 | Confident | 81.7 | Confident | 132 Ų | 132 | 114.9 Ų | 114.9 | 50% | 0.498 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.2 | -27.3 | 176.3 | -173.2 | 172.9 | -72 | -167.9 | 1.9 | 114 | I648 R650 E655 M656 | I648-R652 WeakPolarHBondContact O-CB 3.36Å; I648-R652 PolarHBondContact O-N 3.3Å; R650-R652 VanDerWaalsContact C-N 3.35Å; R650-R652 PolarHBondContact O-N 2.86Å; R652-E655 WeakPolarHBondContact CA-OE2 3.37Å; R652-M656 WeakPolarHBondContact O-CB 3.43Å; R652-M656 WeakPolarHBondContact O-CG 3.4Å; R652-M656 PolarHBondContact O-N 3.02Å |
| 653 | R | 88.9 | Confident | 80 | Confident | 194 Ų | 194 | 114.3 Ų | 114.3 | 73% | 0.732 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -76.9 | -33.6 | 170.7 | -71.5 | 176.7 | -176.1 | -159.6 | -0.6 | 112.3 | M649 R650 N651 R657 | M649-R653 WeakPolarHBondContact O-CG 3.26Å; R650-R653 WeakPolarHBondContact O-CB 3.38Å; R650-R653 PolarHBondContact O-N 3.41Å; N651-R653 PolarHBondContact O-N 3.12Å; N651-R653 VanDerWaalsContact O-N 3.16Å; R653-R657 WeakPolarHBondContact O-CG 3.41Å; R653-R657 PolarHBondContact O-N 3.06Å; R653-R657 VanDerWaalsContact O-N 3.08Å |
| 654 | Q | 90.1 | Very high | 78.1 | Confident | 99 Ų | 99 | 121 Ų | 121 | 46% | 0.463 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.4 | -45.1 | 176.5 | -67.4 | 171.5 | -73.4 | 0 | 0 | 110.8 | R650 N651 M656 R657 Q658 | R650-Q654 PolarHBondContact O-N 3.02Å; N651-Q654 CarbonylContact O-C 3.52Å; N651-Q654 WeakPolarHBondContact O-CA 3.44Å; N651-Q654 WeakPolarHBondContact O-CB 3.37Å; N651-Q654 PolarHBondContact O-N 2.89Å; Q654-M656 PolarHBondContact O-N 3.48Å; Q654-R657 PolarHBondContact O-N 2.77Å; Q654-R657 VanDerWaalsContact O-N 3.15Å; Q654-Q658 PolarHBondContact O-N 2.95Å |
| 655 | E | 85.5 | Confident | 75.6 | Confident | 78 Ų | 78 | 126.8 Ų | 126.8 | 36% | 0.364 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -52.2 | -52.8 | 169.1 | -69.7 | 162.9 | -175.1 | 0 | 0 | 110.7 | N651 R652 R657 Q658 Y659 | N651-E655 PolarHBondContact ND2-OE1 3.15Å; N651-E655 WeakPolarHBondContact O-CG 3.14Å; N651-E655 PolarHBondContact O-N 3.08Å; R652-E655 WeakPolarHBondContact CA-OE2 3.37Å; E655-R657 VanDerWaalsContact C-N 3.31Å; E655-R657 PolarHBondContact O-N 2.85Å; E655-Q658 PolarHBondContact O-N 3.32Å; E655-Y659 HydrophobicContact CB-CE2 4.46Å; E655-Y659 WeakPolarHBondContact O-CD2 3.48Å; E655-Y659 PolarHBondContact O-N 3.32Å |
| 656 | M | 78.3 | Confident | 73.3 | Confident | 121 Ų | 121 | 127.6 Ų | 127.6 | 60% | 0.596 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.5 | -33.8 | 177 | -84.9 | -76.2 | 170.9 | 0 | 0 | 114.1 | R652 Q654 F660 | R652-M656 WeakPolarHBondContact O-CB 3.43Å; R652-M656 WeakPolarHBondContact O-CG 3.4Å; R652-M656 PolarHBondContact O-N 3.02Å; Q654-M656 PolarHBondContact O-N 3.48Å; M656-F660 PolarHBondContact O-N 3.44Å |
| 657 | R | 81.6 | Confident | 71.1 | Confident | 197 Ų | 197 | 129.5 Ų | 129.5 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72 | -36.3 | 172 | -78.2 | -174 | 170.8 | -146.7 | -4.6 | 112.3 | R653 Q654 E655 F660 N661 | R653-R657 WeakPolarHBondContact O-CG 3.41Å; R653-R657 PolarHBondContact O-N 3.06Å; R653-R657 VanDerWaalsContact O-N 3.08Å; Q654-R657 PolarHBondContact O-N 2.77Å; Q654-R657 VanDerWaalsContact O-N 3.15Å; E655-R657 VanDerWaalsContact C-N 3.31Å; E655-R657 PolarHBondContact O-N 2.85Å; R657-F660 PolarHBondContact O-N 3.31Å; R657-N661 PolarHBondContact O-N 2.89Å; R657-N661 VanDerWaalsContact O-N 3.08Å; R657-N661 PolarHBondContact O-OD1 3.08Å |
| 658 | Q | 76.6 | Confident | 68.9 | Low | 134 Ų | 134 | 133.6 Ų | 133.6 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.2 | -38.8 | 174.8 | -74 | -175.5 | -6.5 | 0 | 0 | 112 | Q654 E655 F660 N661 V662 | Q654-Q658 PolarHBondContact O-N 2.95Å; E655-Q658 PolarHBondContact O-N 3.32Å; Q658-F660 PolarHBondContact O-N 2.89Å; Q658-N661 PolarHBondContact O-N 3.39Å; Q658-N661 VanDerWaalsContact O-N 3.15Å; Q658-V662 WeakPolarHBondContact O-CB 3.23Å; Q658-V662 VanDerWaalsContact O-CG2 3.23Å; Q658-V662 WeakPolarHBondContact O-CG2 3.39Å; Q658-V662 PolarHBondContact O-N 3.15Å |
| 659 | Y | 64.5 | Low | 66.4 | Low | 177 Ų | 177 | 136.3 Ų | 136.3 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -60.6 | -32.5 | 173.7 | -76.9 | -65.1 | 0 | 0 | 0 | 113.1 | E655 | E655-Y659 HydrophobicContact CB-CE2 4.46Å; E655-Y659 WeakPolarHBondContact O-CD2 3.48Å; E655-Y659 PolarHBondContact O-N 3.32Å |
| 660 | F | 59.4 | Low | 64.5 | Low | 179 Ų | 179 | 140.7 Ų | 140.7 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.3 | -43.9 | 171.1 | -102.2 | -92.9 | 0 | 0 | 0 | 112.6 | M656 R657 Q658 V662 G663 | M656-F660 PolarHBondContact O-N 3.44Å; R657-F660 PolarHBondContact O-N 3.31Å; Q658-F660 PolarHBondContact O-N 2.89Å; F660-V662 PolarHBondContact O-N 3.39Å; F660-G663 PolarHBondContact O-N 3.46Å |
| 661 | N | 61.3 | Low | 61.9 | Low | 138 Ų | 138 | 137.2 Ų | 137.2 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71.8 | -23.5 | -179.8 | -79.6 | 43.2 | 0 | 0 | 0 | 114.4 | R657 Q658 G663 | R657-N661 PolarHBondContact O-N 2.89Å; R657-N661 VanDerWaalsContact O-N 3.08Å; R657-N661 PolarHBondContact O-OD1 3.08Å; Q658-N661 PolarHBondContact O-N 3.39Å; Q658-N661 VanDerWaalsContact O-N 3.15Å; N661-G663 VanDerWaalsContact C-N 3.27Å; N661-G663 PolarHBondContact O-N 3.47Å |
| 662 | V | 55.6 | Low | 59.6 | Low | 115 Ų | 115 | 140.5 Ų | 140.5 | 70% | 0.697 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -81.3 | -5.1 | -179.2 | 171.6 | 0 | 0 | 0 | 0 | 112.4 | Q658 F660 Q664 | Q658-V662 WeakPolarHBondContact O-CB 3.23Å; Q658-V662 VanDerWaalsContact O-CG2 3.23Å; Q658-V662 WeakPolarHBondContact O-CG2 3.39Å; Q658-V662 PolarHBondContact O-N 3.15Å; F660-V662 PolarHBondContact O-N 3.39Å; V662-Q664 PolarHBondContact O-N 3.45Å |
| 663 | G | 47.3 | Very low | 57.3 | Low | 64 Ų | 64 | 139.1 Ų | 139.1 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -75 | -9.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | F660 N661 | F660-G663 PolarHBondContact O-N 3.46Å; N661-G663 VanDerWaalsContact C-N 3.27Å; N661-G663 PolarHBondContact O-N 3.47Å |
| 664 | Q | 46.8 | Very low | 55.2 | Low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -115.6 | 7.8 | -169.4 | -74.1 | -171.4 | -16 | 0 | 0 | 116.3 | V662 | V662-Q664 PolarHBondContact O-N 3.45Š|
| 665 | Q | 38.7 | Very low | 53.2 | Low | 192 Ų | 192 | 135 Ų | 135 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | -126.5 | 90.3 | 175.3 | -75.5 | -165.9 | -20.7 | 0 | 0 | 112.7 | ||||
| 666 | A | 38.2 | Very low | 51.4 | Low | 97 Ų | 97 | 137.1 Ų | 137.1 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -150.2 | 55.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 667 | Q | 42.2 | Very low | 49.8 | Very low | 182 Ų | 182 | 142 Ų | 142 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -136.1 | 109.8 | 161.9 | -95.7 | -167.4 | 6.7 | 0 | 0 | 114 | ||||
| 668 | I | 46.4 | Very low | 48.2 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | trans | 38.9 | 116.5 | 146.5 | 54.6 | 170 | 0 | 0 | 0 | 121.4 | ||||
| 669 | P | 36.2 | Very low | 46.5 | Very low | 132 Ų | 132 | 135 Ų | 135 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -91.3 | 128.3 | 163 | 34.6 | -29.5 | 0 | 0 | 0 | 112.1 | ||||
| 670 | I | 44.7 | Very low | 45.4 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -134.5 | 136.2 | 167 | -62.1 | -178 | 0 | 0 | 0 | 108.7 | ||||
| 671 | A | 36.7 | Very low | 44.6 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -101.7 | 152.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 672 | T | 42.8 | Very low | 43.7 | Very low | 151 Ų | 151 | 128 Ų | 128 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | -164.1 | 152.1 | 148.2 | -80.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 673 | A | 41.8 | Very low | 43.1 | Very low | 103 Ų | 103 | 131 Ų | 131 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -83.6 | 163.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 674 | G | 44.6 | Very low | 42.7 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | 174.5 | 97 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 675 | V | 48.9 | Very low | 42.3 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | 28 | 98.2 | 145.4 | -164.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 676 | V | 47.6 | Very low | 42.5 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | 62.1 | 105.7 | 84.2 | -179.6 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 677 | Y | 43.5 | Very low | 42.7 | Very low | 224 Ų | 224 | 128.2 Ų | 128.2 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | -159.3 | 138.6 | 119.6 | -148.4 | -90.4 | 0 | 0 | 0 | 112.1 | |||||
| 678 | P | 49.5 | Very low | 42.6 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | trans | -117.9 | 156.6 | -177.4 | 40 | -31.3 | 0 | 0 | 0 | 116.3 | ||||
| 679 | G | 40.2 | Very low | 42.7 | Very low | 79 Ų | 79 | 123.5 Ų | 123.5 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | 103.9 | 160.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 680 | A | 40.3 | Very low | 42.8 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | cis | -171.1 | 178.5 | -10.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 681 | I | 44.3 | Very low | 42.8 | Very low | 168 Ų | 168 | 124.4 Ų | 124.4 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | trans | 79.2 | 153.7 | 159.3 | -29.9 | -177.2 | 0 | 0 | 0 | 117.8 | ||||
| 682 | A | 42.1 | Very low | 43.3 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 74 | 106.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 683 | M | 42 | Very low | 43.7 | Very low | 179 Ų | 179 | 123.1 Ų | 123.1 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | cis | 84.7 | 108.7 | 27.2 | -55.6 | -73.4 | -104 | 0 | 0 | 116.7 | ||||
| 684 | A | 39.4 | Very low | 43.8 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 88% | 0.884 | 78% | 0.776 | S | S | * | * | trans | 43.6 | 127.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 685 | G | 38.5 | Very low | 43.9 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | 167.4 | 111.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 686 | M | 42.5 | Very low | 43.5 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -89.8 | 159.7 | 149.4 | 43.3 | -121.8 | 56.7 | 0 | 0 | 108.2 | ||||
| 687 | P | 41.8 | Very low | 43.4 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | cis | -142.9 | -163.3 | 29.5 | 43.2 | -22.1 | 0 | 0 | 0 | 116.4 | ||||
| 688 | S | 40.9 | Very low | 43.3 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -63.1 | 154.8 | 169.5 | -159.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 689 | P | 49.1 | Very low | 42.8 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | -157.9 | -173.6 | 81.6 | 43.2 | -22.4 | 0 | 0 | 0 | 118.7 | |||||
| 690 | H | 38.7 | Very low | 42.8 | Very low | 161 Ų | 161 | 122.8 Ų | 122.8 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | trans | 90.3 | 99.1 | 151.7 | -92.5 | -37.1 | 0 | 0 | 0 | 123.1 | ||||
| 691 | L | 44.2 | Very low | 42.6 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | 41 | 159.7 | 105.4 | -60.8 | -171.2 | 0 | 0 | 0 | 121.4 | |||||
| 692 | P | 47.5 | Very low | 42.7 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | cis | -136.2 | -174.3 | 14.2 | 43.6 | -26.8 | 0 | 0 | 0 | 117.9 | ||||
| 693 | S | 49.5 | Very low | 42.7 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | 83.9 | 144.9 | 153.5 | -62.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 694 | E | 45.2 | Very low | 42.7 | Very low | 139 Ų | 139 | 122.3 Ų | 122.3 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | cis | -161.5 | 173.6 | -17 | -122.9 | -64.3 | -108.8 | 0 | 0 | 111.6 | ||||
| 695 | H | 46.7 | Very low | 42.6 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | trans | 65 | 91.9 | 163.4 | -51.7 | -25.1 | 0 | 0 | 0 | 115.7 | ||||
| 696 | S | 41 | Very low | 42.6 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | 69.3 | 138.3 | 89.1 | -85.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 697 | S | 44 | Very low | 42.6 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | cis | -175.6 | 162.9 | -2.9 | -100.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 698 | V | 42.5 | Very low | 42.3 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | cis | -152.4 | 152.9 | 8 | -110.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 699 | S | 39.7 | Very low | 42.1 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | 54 | 130.1 | 81.7 | -156.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 700 | S | 38.9 | Very low | 41.4 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | cis | -159.3 | 154.4 | -0.9 | -96.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 701 | S | 37 | Very low | 41.2 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | 72.2 | 139.4 | 52.7 | -164.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 702 | P | 46.1 | Very low | 41.1 | Very low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | cis | -135.6 | -164.1 | -22.8 | 37.6 | -16.9 | 0 | 0 | 0 | 114.8 | ||||
| 703 | E | 41.1 | Very low | 40.4 | Very low | 168 Ų | 168 | 126 Ų | 126 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -60.2 | 158.1 | 174.8 | -138.6 | -152.8 | 117 | 0 | 0 | 114.8 | G705 | E703-G705 PolarHBondContact OE1-N 3.21Š| ||
| 704 | P | 42 | Very low | 40 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | -156.2 | 158.3 | 82.9 | 40.2 | -20.8 | 0 | 0 | 0 | 118.9 | |||||
| 705 | G | 37.3 | Very low | 39.8 | Very low | 65 Ų | 65 | 125 Ų | 125 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | 108.7 | 143.2 | 132.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | E703 | E703-G705 PolarHBondContact OE1-N 3.21Š| ||
| 706 | M | 38.4 | Very low | 39.4 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | trans | -76.5 | 171.6 | 170.6 | -69.2 | -167.9 | 75.7 | 0 | 0 | 112.6 | V708 | M706-V708 HydrophobicContact CE-CG2 4.47Š| ||
| 707 | P | 44 | Very low | 39.2 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | cis | -146.9 | 168.3 | 22 | 42.9 | -22.2 | 0 | 0 | 0 | 120.3 | ||||
| 708 | V | 34 | Very low | 38.9 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | 29.4 | 129.1 | 137.5 | -170.5 | 0 | 0 | 0 | 0 | 120.6 | M706 | M706-V708 HydrophobicContact CE-CG2 4.47Š| ||
| 709 | I | 37.2 | Very low | 38.6 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | 176.7 | 124.3 | 124.7 | -92.9 | 172.3 | 0 | 0 | 0 | 113.2 | |||||
| 710 | Q | 34.7 | Very low | 38.6 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | 43.2 | 139.5 | 144.6 | -55.7 | 175.2 | 6.4 | 0 | 0 | 125.2 | ||||
| 711 | S | 33.7 | Very low | 38.4 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -39.6 | 152.2 | 163.1 | -36.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 712 | T | 43.2 | Very low | 38.4 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | -151.8 | 174.8 | 121 | -158.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 713 | Y | 33.5 | Very low | 38 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -126 | 140.5 | -165.9 | -13.7 | -93.1 | 0 | 0 | 0 | 110 | ||||
| 714 | G | 39.2 | Very low | 37.7 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -153.1 | 128.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 715 | V | 40.9 | Very low | 37.3 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -125.4 | 144 | -172.4 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 716 | K | 39.2 | Very low | 37.3 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | 142.5 | 130 | 131 | -172.1 | 175.6 | -176.5 | -177.6 | 0 | 115 | ||||
| 717 | G | 37.3 | Very low | 36.9 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 84.8 | 148.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 718 | E | 37.1 | Very low | 36.4 | Very low | 206 Ų | 206 | 141.3 Ų | 141.3 | 96% | 0.963 | 75% | 0.752 | S | S | * | * | cis | -156.2 | 171.6 | -9.5 | 55.4 | -155.1 | 128.6 | 0 | 0 | 111.5 | ||||
| 719 | E | 35.3 | Very low | 36.2 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | -111 | -175.6 | -164.2 | -124.4 | -148.9 | 130.1 | 0 | 0 | 112.1 | ||||
| 720 | P | 41.1 | Very low | 36.1 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | -126.9 | -177.5 | -55.9 | 34 | -16.3 | 0 | 0 | 0 | 112.8 | |||||
| 721 | H | 33.6 | Very low | 36.5 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | -175.8 | 168.5 | 117.6 | -151.9 | 47.1 | 0 | 0 | 0 | 112.4 | |||||
| 722 | I | 37 | Very low | 36.3 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 67% | 0.672 | 77% | 0.768 | S | S | * | * | trans | -137.3 | 144.8 | -160.9 | -56.7 | 165.6 | 0 | 0 | 0 | 111.6 | ||||
| 723 | K | 38.6 | Very low | 35.8 | Very low | 143 Ų | 143 | 143 Ų | 143 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | -170.4 | 140.6 | 144.4 | -91.7 | -149.8 | 169 | -141.6 | 0 | 109.2 | ||||
| 724 | E | 33.7 | Very low | 36 | Very low | 140 Ų | 140 | 142 Ų | 142 | 65% | 0.654 | 76% | 0.762 | S | S | * | * | 60.8 | 139 | 68.9 | -55.5 | 179 | 144.6 | 0 | 0 | 111.7 | |||||
| 725 | E | 34.4 | Very low | 36.2 | Very low | 163 Ų | 163 | 146 Ų | 146 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | cis | -156.4 | 168.6 | 26.9 | -159.8 | 172.9 | 143 | 0 | 0 | 114.4 | ||||
| 726 | I | 36.8 | Very low | 36.2 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | -37.6 | 133.8 | -178.9 | -53.1 | 153.2 | 0 | 0 | 0 | 120.2 | ||||
| 727 | Q | 30.6 | Very low | 36.4 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | 167 | 170 | 134 | -96.9 | 154.9 | 104.6 | 0 | 0 | 110.5 | ||||
| 728 | A | 32.9 | Very low | 36.7 | Very low | 66 Ų | 66 | 148.4 Ų | 148.4 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | cis | -177.3 | 158.1 | -42.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 729 | E | 31 | Very low | 37 | Very low | 165 Ų | 165 | 149 Ų | 149 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | trans | 65.6 | 145.2 | 166.7 | -38.8 | -44.8 | 151.8 | 0 | 0 | 122.3 | ||||
| 730 | D | 33.7 | Very low | 38 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 70.4 | 166.9 | 150 | -70.2 | -29.8 | 0 | 0 | 0 | 124.4 | ||||
| 731 | I | 43.6 | Very low | 38.1 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | 69.5 | 80.8 | 164.7 | -14.5 | 178.2 | 0 | 0 | 0 | 120.9 | ||||
| 732 | N | 29.9 | Very low | 39.1 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | 14.7 | 134.1 | 121.9 | -166.7 | 81.5 | 0 | 0 | 0 | 121.3 | |||||
| 733 | G | 32.6 | Very low | 39.8 | Very low | 60 Ų | 60 | 155.3 Ų | 155.3 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | trans | 127.7 | 99.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 734 | E | 37.1 | Very low | 40.4 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | 59 | 107.3 | 78.8 | -68 | -169.8 | 173.1 | 0 | 0 | 115.3 | |||||
| 735 | I | 42.9 | Very low | 41.5 | Very low | 162 Ų | 162 | 155.4 Ų | 155.4 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -152.1 | 141.2 | 135.1 | -157 | 72.2 | 0 | 0 | 0 | 110.9 | ||||
| 736 | Y | 41.3 | Very low | 42.2 | Very low | 159 Ų | 159 | 152.6 Ų | 152.6 | 62% | 0.624 | 78% | 0.776 | S | S | * | * | trans | -62.4 | 156.5 | -162.8 | -70.2 | -105.1 | 0 | 0 | 0 | 118.8 | E738 | Y736-E738 HydrophobicContact CD1-CB 3.8Å; Y736-E738 WeakPolarHBondContact CD1-OE2 3.26Å; Y736-E738 VanDerWaalsContact CE1-OE2 3.26Å; Y736-E738 WeakPolarHBondContact CE1-OE2 3.45Å | ||
| 737 | D | 44.8 | Very low | 42.9 | Very low | 182 Ų | 182 | 154 Ų | 154 | 97% | 0.973 | 79% | 0.785 | S | S | * | * | trans | -135.1 | 90.7 | 143.9 | -118.2 | -21.9 | 0 | 0 | 0 | 106.1 | ||||
| 738 | E | 41.9 | Very low | 43.8 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | trans | -139.8 | 137.4 | -174.6 | -179.7 | 179.7 | 141.9 | 0 | 0 | 110.9 | Y736 | Y736-E738 HydrophobicContact CD1-CB 3.8Å; Y736-E738 WeakPolarHBondContact CD1-OE2 3.26Å; Y736-E738 VanDerWaalsContact CE1-OE2 3.26Å; Y736-E738 WeakPolarHBondContact CE1-OE2 3.45Å | ||
| 739 | Y | 44.7 | Very low | 44.8 | Very low | 219 Ų | 219 | 156.4 Ų | 156.4 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -153.7 | 147.5 | 160.6 | -86.5 | -69.8 | 0 | 0 | 0 | 110.9 | ||||
| 740 | D | 56.3 | Low | 45.4 | Very low | 152 Ų | 152 | 159.3 Ų | 159.3 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | 72.5 | 69.3 | 164.5 | -54.3 | -5.5 | 0 | 0 | 0 | 119 | ||||
| 741 | E | 42.5 | Very low | 45.8 | Very low | 194 Ų | 194 | 155.7 Ų | 155.7 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -110.3 | 141.3 | 133.5 | -72.7 | -165.1 | 159.3 | 0 | 0 | 109.2 | ||||
| 742 | E | 55.4 | Low | 45.9 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -127.5 | 130.7 | 169.2 | -80.8 | -175 | 157 | 0 | 0 | 109.3 | ||||
| 743 | E | 50.4 | Low | 46.2 | Very low | 186 Ų | 186 | 154.1 Ų | 154.1 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | 26.2 | 138.9 | 138.5 | -59.4 | -179.4 | 159.6 | 0 | 0 | 119.8 | ||||
| 744 | D | 51.7 | Low | 46.8 | Very low | 145 Ų | 145 | 155.4 Ų | 155.4 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | cis | -152.5 | -154.3 | -4.5 | -154.1 | 7.5 | 0 | 0 | 0 | 107 | ||||
| 745 | D | 57.8 | Low | 47 | Very low | 140 Ų | 140 | 155 Ų | 155 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | cis | -156.7 | 125.7 | 11.2 | 147.4 | 39.5 | 0 | 0 | 0 | 106.6 | ||||
| 746 | P | 49.4 | Very low | 47 | Very low | 104 Ų | 104 | 153.4 Ų | 153.4 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | -105.2 | 133.7 | -173.9 | 36.8 | -30.1 | 0 | 0 | 0 | 114.6 | ||||
| 747 | D | 51 | Low | 47.1 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -144.1 | 145.6 | 154.7 | -136.5 | -19.3 | 0 | 0 | 0 | 112 | ||||
| 748 | V | 48.9 | Very low | 47.1 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -132.9 | 126.8 | -173.6 | -74.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 749 | D | 54.1 | Low | 47.1 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -145.9 | 159.9 | 162 | -150.9 | -7.5 | 0 | 0 | 0 | 112.3 | ||||
| 750 | Y | 42.5 | Very low | 47.3 | Very low | 227 Ų | 227 | 144 Ų | 144 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -130 | 100.3 | -151 | -158.5 | -87.7 | 0 | 0 | 0 | 110.8 | ||||
| 751 | G | 43.1 | Very low | 46.8 | Very low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -137 | 59.7 | -158.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 752 | S | 44.7 | Very low | 46.9 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 20.7 | 99.7 | 153.1 | -176.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 753 | D | 37.3 | Very low | 46.2 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | trans | -80.8 | 132.3 | 163 | -117.2 | -27.4 | 0 | 0 | 0 | 111.1 | ||||
| 754 | S | 45.2 | Very low | 46 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | trans | -149.5 | 143.3 | 177.6 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 755 | E | 42.1 | Very low | 45.7 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | 70.4 | 110.4 | 178.9 | -63.2 | 179.9 | 68.5 | 0 | 0 | 115.1 | ||||
| 756 | N | 41.5 | Very low | 45 | Very low | 128 Ų | 128 | 142 Ų | 142 | 68% | 0.684 | 83% | 0.827 | S | S | * | * | 66 | 112.5 | 70.3 | -69.3 | -44.8 | 0 | 0 | 0 | 114 | |||||
| 757 | H | 44.3 | Very low | 44.7 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 74% | 0.736 | 84% | 0.836 | S | S | * | * | -176.4 | 113.8 | 115.7 | -91.5 | -64.9 | 0 | 0 | 0 | 107.5 | |||||
| 758 | I | 44.4 | Very low | 44.4 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 73% | 0.733 | 83% | 0.834 | S | S | * | * | 57.7 | 94.4 | 78.5 | -58 | 174.7 | 0 | 0 | 0 | 112.5 | |||||
| 759 | A | 42.6 | Very low | 44.1 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | 177.3 | 133.8 | 130.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 760 | G | 47.6 | Very low | 43.3 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -177.2 | 46.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 761 | Q | 46.9 | Very low | 43.4 | Very low | 195 Ų | 195 | 135.3 Ų | 135.3 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -85.2 | 133.9 | 173.9 | -80.1 | -170.8 | -14.3 | 0 | 0 | 111.9 | ||||
| 762 | A | 44.9 | Very low | 43.4 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | 49 | 97.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 763 | N | 39.6 | Very low | 43.3 | Very low | 239 Ų | 239 | 143.1 Ų | 143.1 | 100% | 1.278 | 83% | 0.834 | S | S | * | * | -152.8 | 0 | 104.7 | -153.5 | 20.7 | 0 | 0 | 0 | 110.4 |
Retrieved 763 of 763 residues in 367.7 ms
(Link to these results)