| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.4 | Very low | 42.9 | Very low | 224 Ų | 224 | 142.6 Ų | 142.6 | 100% | 1.103 | 79% | 0.786 | S | S | * | * | 0 | 100.3 | 0 | -58.6 | -174.6 | 108.2 | 0 | 0 | 105.6 | |||||
| 2 | L | 42 | Very low | 43.1 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | 70.1 | 125.2 | 102.6 | -65 | 172.3 | 0 | 0 | 0 | 111.8 | |||||
| 3 | S | 40.3 | Very low | 42.5 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | cis | -157.4 | 141.5 | -10.5 | -87.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 4 | E | 42 | Very low | 42.3 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | 66.6 | 138 | 70.5 | -85.2 | -149.5 | 120.4 | 0 | 0 | 117.2 | R6 | E4-R6 IonicContact OE1-CZ 3.49Å; E4-R6 IonicContact OE1-NE 2.69Å; E4-R6 PolarHBondContact OE1-NE 3.31Å; E4-R6 IonicContact OE1-NH2 3.54Å; E4-R6 PolarHBondContact OE1-NH2 3.18Å | |||
| 5 | G | 45.7 | Very low | 41.8 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 122.9 | 84.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 6 | R | 44 | Very low | 42.1 | Very low | 228 Ų | 228 | 145.3 Ų | 145.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | 67.4 | 136.3 | 54.1 | -63.3 | -162 | -158.3 | -140.7 | 8.2 | 115.6 | E4 | E4-R6 IonicContact OE1-CZ 3.49Å; E4-R6 IonicContact OE1-NE 2.69Å; E4-R6 PolarHBondContact OE1-NE 3.31Å; E4-R6 IonicContact OE1-NH2 3.54Å; E4-R6 PolarHBondContact OE1-NH2 3.18Å | |||
| 7 | G | 43.1 | Very low | 41.9 | Very low | 65 Ų | 65 | 142.5 Ų | 142.5 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | 141 | 69.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 8 | S | 44.2 | Very low | 42 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | 63.3 | 99.8 | 90.7 | 71.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 9 | E | 43.5 | Very low | 41.9 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | 85.6 | 129.6 | 94 | -81.1 | 176.3 | 171.2 | 0 | 0 | 113.4 | |||||
| 10 | I | 47.6 | Very low | 41.9 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | -176.8 | 134 | 117.9 | -89.5 | 153.1 | 0 | 0 | 0 | 107.6 | |||||
| 11 | N | 37.7 | Very low | 42.1 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | -77.6 | 167.8 | 176.9 | -58.4 | -58.9 | 0 | 0 | 0 | 110.6 | ||||
| 12 | D | 44.3 | Very low | 42 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | -160.3 | 141.5 | 109.2 | -100.5 | -22.4 | 0 | 0 | 0 | 113.7 | |||||
| 13 | T | 36 | Very low | 42.3 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -107.8 | 133.9 | -177.3 | -66.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 14 | F | 39.8 | Very low | 42.4 | Very low | 184 Ų | 184 | 137 Ų | 137 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -142.8 | 105.6 | 155.2 | -108.6 | -75.1 | 0 | 0 | 0 | 112.5 | Y16 | F14-Y16 AromaticContact CD1-CD2 3.98Å; F14-Y16 HydrophobicContact CD1-CD2 3.98Å; F14-Y16 HydrophobicContact CD1-CE2 4.05Å; F14-Y16 HydrophobicContact CE1-CD2 4.26Å; F14-Y16 AromaticContact CE1-CE2 3.85Å; F14-Y16 HydrophobicContact CE1-CE2 3.85Å | ||
| 15 | S | 35 | Very low | 42.3 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | -84.5 | 144.7 | 159.3 | -58.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 16 | Y | 45.5 | Very low | 42.1 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | -137.7 | 113 | 157.2 | -112.7 | -78.2 | 0 | 0 | 0 | 110.6 | F14 | F14-Y16 AromaticContact CD1-CD2 3.98Å; F14-Y16 HydrophobicContact CD1-CD2 3.98Å; F14-Y16 HydrophobicContact CD1-CE2 4.05Å; F14-Y16 HydrophobicContact CE1-CD2 4.26Å; F14-Y16 AromaticContact CE1-CE2 3.85Å; F14-Y16 HydrophobicContact CE1-CE2 3.85Å | ||
| 17 | S | 39.5 | Very low | 42 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -73 | 151.3 | 160.2 | -50.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 18 | N | 43.2 | Very low | 42.5 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -163.2 | 154.6 | 131 | -104.5 | -17.3 | 0 | 0 | 0 | 113 | ||||
| 19 | D | 40.7 | Very low | 42.7 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | -90.4 | 172.1 | -159.7 | -85.3 | -61.5 | 0 | 0 | 0 | 116.4 | ||||
| 20 | S | 42.4 | Very low | 42.8 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 81.7 | 112.1 | 146.8 | 73.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 21 | S | 44.5 | Very low | 42.5 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | 173.1 | 122 | 90.6 | -74.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 22 | N | 41.4 | Very low | 42.8 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 5.4 | 127.8 | 154.2 | -83.3 | -13.9 | 0 | 0 | 0 | 120.2 | ||||
| 23 | T | 47.2 | Very low | 42.7 | Very low | 131 Ų | 131 | 141 Ų | 141 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | -178.4 | 129.7 | 89.8 | 26.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 24 | N | 42.9 | Very low | 43.2 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | trans | 37.1 | 115.2 | 141.1 | -77.8 | 41 | 0 | 0 | 0 | 123.3 | ||||
| 25 | E | 39.3 | Very low | 43.4 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | 96 | 143.5 | 117.9 | -98.5 | 172.1 | 134.8 | 0 | 0 | 123.3 | |||||
| 26 | Y | 42 | Very low | 43.9 | Very low | 207 Ų | 207 | 143 Ų | 143 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | 76.7 | 99.6 | 170.2 | -72.8 | -75.6 | 0 | 0 | 0 | 121.2 | ||||
| 27 | H | 43.1 | Very low | 43.8 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | trans | -84.1 | -177.6 | 162.3 | -150.2 | -127.2 | 0 | 0 | 0 | 109.2 | ||||
| 28 | P | 53.3 | Low | 44 | Very low | 88 Ų | 88 | 143.1 Ų | 143.1 | 57% | 0.571 | 76% | 0.758 | S | S | * | * | -122 | -164.7 | -97.5 | 43 | -26.1 | 0 | 0 | 0 | 111.8 | |||||
| 29 | E | 46.8 | Very low | 44.2 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | -171.4 | 171.9 | 115.8 | -106.9 | -175.6 | -173.2 | 0 | 0 | 114.5 | |||||
| 30 | F | 46.8 | Very low | 44.2 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -94.7 | 138.6 | -153.4 | -116.5 | -122.2 | 0 | 0 | 0 | 115.3 | ||||
| 31 | D | 40.1 | Very low | 44.1 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | 69.3 | 129.6 | 122.2 | -162.4 | 10.3 | 0 | 0 | 0 | 121.4 | S33 | D31-S33 PolarHBondContact OD1-N 3.22Š| |||
| 32 | S | 44.3 | Very low | 43.9 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -161.8 | 89.8 | 157.1 | -83.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 33 | S | 43.2 | Very low | 43.8 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | 53.2 | 144.4 | 121.8 | -165.3 | 0 | 0 | 0 | 0 | 122.6 | D31 | D31-S33 PolarHBondContact OD1-N 3.22Š| |||
| 34 | S | 45.5 | Very low | 43.5 | Very low | 96 Ų | 96 | 144 Ų | 144 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | trans | 95.8 | 103.9 | 157.6 | -162.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 35 | R | 45.3 | Very low | 43.3 | Very low | 209 Ų | 209 | 146.8 Ų | 146.8 | 79% | 0.789 | 75% | 0.75 | S | S | * | * | 81.4 | 133.3 | 57 | -168.7 | -157.2 | -66.5 | -171.1 | 0.3 | 112.7 | |||||
| 36 | N | 44 | Very low | 43.3 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | 86.6 | 145.4 | 172.1 | -57.9 | -45.9 | 0 | 0 | 0 | 116.2 | ||||
| 37 | K | 43.8 | Very low | 43.3 | Very low | 173 Ų | 173 | 144 Ų | 144 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | cis | -173.7 | 135.5 | -26.2 | -135.4 | -179.6 | -176.5 | -175.8 | 0 | 110.6 | ||||
| 38 | T | 43.4 | Very low | 43 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | 67.5 | 160.4 | 151.9 | 27.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 39 | P | 49.1 | Very low | 42.3 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -134.4 | -140.2 | -131.3 | 43.9 | -22.6 | 0 | 0 | 0 | 113.3 | ||||
| 40 | Q | 39.8 | Very low | 42.1 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | 82.9 | 143.6 | 179.2 | -70.4 | -166.2 | -78.7 | 0 | 0 | 116 | ||||
| 41 | N | 40.9 | Very low | 41.7 | Very low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -166.5 | -174.9 | -25.5 | -135.1 | 49.4 | 0 | 0 | 0 | 109.3 | ||||
| 42 | D | 40.6 | Very low | 41.5 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | 72.4 | 96.1 | 162.5 | -48.4 | -19.8 | 0 | 0 | 0 | 115.2 | ||||
| 43 | E | 38.9 | Very low | 41.2 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | 72.7 | 104.5 | 73.1 | -68.3 | -161.3 | 155.8 | 0 | 0 | 112.6 | |||||
| 44 | T | 40.3 | Very low | 41.1 | Very low | 120 Ų | 120 | 144 Ų | 144 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | 76.7 | 110.4 | 81.6 | -57.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 45 | Q | 39 | Very low | 40.8 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | -161.3 | 118.8 | 115.7 | -106.3 | 171.5 | 32.3 | 0 | 0 | 111.8 | |||||
| 46 | I | 39.5 | Very low | 40.6 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 89% | 0.892 | 77% | 0.771 | S | S | * | * | trans | -99.6 | 126.3 | 162.5 | -66.8 | 172 | 0 | 0 | 0 | 106.6 | ||||
| 47 | S | 42 | Very low | 40.7 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -156.9 | 127.9 | 162.1 | 178.8 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 48 | G | 37.3 | Very low | 40.3 | Very low | 55 Ų | 55 | 142 Ų | 142 | 57% | 0.567 | 78% | 0.779 | S | S | * | * | cis | 138.5 | 146.6 | 18.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 49 | E | 37.6 | Very low | 40.4 | Very low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | 68.2 | 150 | 173.1 | -58.3 | 178.7 | 167.8 | 0 | 0 | 115.8 | ||||
| 50 | S | 43.6 | Very low | 40.1 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -152 | 164.2 | -5.9 | 42 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 51 | N | 37.2 | Very low | 39.8 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -63.7 | 141.4 | 169.9 | -66 | -58.8 | 0 | 0 | 0 | 111.6 | ||||
| 52 | G | 36 | Very low | 39.9 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -164.8 | 94.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 53 | R | 37.8 | Very low | 39.6 | Very low | 211 Ų | 211 | 145.9 Ų | 145.9 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 77.2 | 106.1 | 131.6 | -166.8 | 166.9 | 174.7 | 153.6 | -0.2 | 119.7 | D55 | R53-D55 IonicContact CZ-OD2 3.9Å; R53-D55 VanDerWaalsContact CZ-OD2 3.27Å; R53-D55 IonicContact NE-OD2 3.27Å; R53-D55 PolarHBondContact NE-OD2 3.44Å; R53-D55 IonicContact NH2-OD2 3.67Å; R53-D55 PolarHBondContact NH2-OD2 3.08Å | ||
| 54 | L | 41.5 | Very low | 39.6 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -51 | 137.2 | 145.5 | -66.4 | 154.3 | 0 | 0 | 0 | 110.4 | ||||
| 55 | D | 40.2 | Very low | 39.5 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 58% | 0.583 | 78% | 0.781 | S | S | * | * | trans | -140.1 | 112.2 | 151.9 | -116.6 | -46.1 | 0 | 0 | 0 | 110.8 | R53 | R53-D55 IonicContact CZ-OD2 3.9Å; R53-D55 VanDerWaalsContact CZ-OD2 3.27Å; R53-D55 IonicContact NE-OD2 3.27Å; R53-D55 PolarHBondContact NE-OD2 3.44Å; R53-D55 IonicContact NH2-OD2 3.67Å; R53-D55 PolarHBondContact NH2-OD2 3.08Å | ||
| 56 | S | 39.8 | Very low | 39.1 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -91.2 | 100.2 | 176 | 176.7 | 0 | 0 | 0 | 0 | 108.2 | Y58 | S56-Y58 PolarHBondContact O-N 2.99Š| ||
| 57 | T | 47 | Very low | 38.9 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | -94.7 | 89.6 | -179.3 | 48 | 0 | 0 | 0 | 0 | 112.1 | L59 | T57-L59 PolarHBondContact O-N 3.22Š| ||
| 58 | Y | 35.9 | Very low | 38.5 | Very low | 222 Ų | 222 | 137.9 Ų | 137.9 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | trans | -55.6 | 119.8 | 162.9 | -164.1 | -95.4 | 0 | 0 | 0 | 110.8 | S56 | S56-Y58 PolarHBondContact O-N 2.99Š| ||
| 59 | L | 43.8 | Very low | 38.6 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -133.7 | 107.4 | 173.4 | -98.6 | 175.3 | 0 | 0 | 0 | 114.3 | T57 | T57-L59 PolarHBondContact O-N 3.22Š| ||
| 60 | H | 42.7 | Very low | 38.5 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | trans | 67.7 | 87.9 | 142.7 | -101.7 | 77.5 | 0 | 0 | 0 | 120.3 | ||||
| 61 | S | 34.7 | Very low | 38.4 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -48.3 | 137.4 | 137.6 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 62 | K | 43.3 | Very low | 38.6 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -136.6 | 103.3 | 153.8 | -81.5 | -166.5 | 173.5 | -178.4 | 0 | 110 | ||||
| 63 | Q | 33 | Very low | 38.7 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -79.8 | 139.2 | 160 | -70.9 | 171.8 | -43.8 | 0 | 0 | 109.8 | ||||
| 64 | C | 39.7 | Very low | 38.7 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -154.7 | 92 | 158.1 | -81.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 65 | T | 37.8 | Very low | 38.7 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | 64.6 | 88.2 | 72.6 | 70.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 66 | T | 31.7 | Very low | 39 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | 49.7 | 128.9 | 125 | 55.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 67 | G | 35.4 | Very low | 39.3 | Very low | 70 Ų | 70 | 143.9 Ų | 143.9 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 158.7 | 94.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 68 | I | 33.2 | Very low | 39.4 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | 74.4 | 134.5 | 64.2 | -56.8 | 175 | 0 | 0 | 0 | 113.2 | |||||
| 69 | C | 39.1 | Very low | 39.9 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 108.6 | 98.2 | 178.2 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 70 | D | 34.9 | Very low | 40.2 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | cis | 76.3 | 98.8 | 39.1 | -157.7 | 17.4 | 0 | 0 | 0 | 113.3 | ||||
| 71 | Y | 41.6 | Very low | 40.6 | Very low | 220 Ų | 220 | 138 Ų | 138 | 86% | 0.863 | 74% | 0.741 | S | S | * | * | trans | -174.1 | 131.3 | 156.2 | -101.9 | -66.1 | 0 | 0 | 0 | 111 | ||||
| 72 | S | 41.3 | Very low | 41.3 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | trans | 53.4 | 104.9 | 151.5 | -46.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 73 | H | 37.6 | Very low | 41.5 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | cis | 70.4 | 17.3 | 30.2 | -131.7 | -59 | 0 | 0 | 0 | 117.6 | ||||
| 74 | E | 39.5 | Very low | 42.3 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | -154.5 | 46.9 | 170.7 | -146.4 | 169.1 | -143.1 | 0 | 0 | 116.5 | ||||
| 75 | L | 41.7 | Very low | 42.8 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | -150.3 | 30.3 | 171.4 | -124.5 | 126.3 | 0 | 0 | 0 | 115.1 | D77 | L75-D77 PolarHBondContact O-N 2.97Š| ||
| 76 | I | 46.2 | Very low | 43.3 | Very low | 123 Ų | 123 | 135 Ų | 135 | 63% | 0.631 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -13.5 | -163.8 | -71.4 | 171.3 | 0 | 0 | 0 | 114.9 | ||
| 77 | D | 45.7 | Very low | 44.1 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -3.1 | -171 | -99.7 | -19.1 | 0 | 0 | 0 | 117.1 | L75 | L75-D77 PolarHBondContact O-N 2.97Š|
| 78 | L | 49 | Very low | 44.7 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -27.8 | 176.1 | -104.8 | 75.3 | 0 | 0 | 0 | 114.8 | ||
| 79 | D | 47 | Very low | 45.8 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 46% | 0.46 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.8 | -18.3 | -171.2 | -138.4 | 15.8 | 0 | 0 | 0 | 113.7 | I81 K82 H83 | D79-I81 PolarHBondContact O-N 3.4Å; D79-K82 PolarHBondContact O-N 3.34Å; D79-K82 VanDerWaalsContact O-N 3.08Å; D79-H83 PolarHBondContact O-N 2.91Å; D79-H83 IonicContact OD2-CD2 3.15Å; D79-H83 IonicContact OD2-NE2 3.57Å |
| 80 | K | 48.9 | Very low | 46.9 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 65% | 0.652 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -56.2 | -31.7 | 169.9 | -98.2 | -179.9 | 174.7 | 174.7 | 0 | 113.2 | K82 | K80-K82 VanDerWaalsContact C-N 3.34Å |
| 81 | I | 51 | Low | 48.3 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82 | -15.2 | -178.4 | -59.9 | 176.3 | 0 | 0 | 0 | 111.8 | D79 | D79-I81 PolarHBondContact O-N 3.4Å |
| 82 | K | 50 | Low | 49.3 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 59% | 0.591 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -103.7 | -34.3 | -178.6 | -136.3 | 175.2 | -173.3 | 178.9 | 0 | 113.3 | D79 K80 E84 N85 L86 | D79-K82 PolarHBondContact O-N 3.34Å; D79-K82 VanDerWaalsContact O-N 3.08Å; K80-K82 VanDerWaalsContact C-N 3.34Å; K82-E84 VanDerWaalsContact C-N 3.34Å; K82-E84 PolarHBondContact O-N 2.86Å; K82-N85 PolarHBondContact O-N 3.38Å; K82-L86 PolarHBondContact O-N 3.22Å |
| 83 | H | 47.8 | Very low | 50.5 | Low | 83 Ų | 83 | 121.8 Ų | 121.8 | 38% | 0.384 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.4 | -29.3 | 179.1 | -99.2 | -72.8 | 0 | 0 | 0 | 114 | D79 N85 L86 F87 | D79-H83 PolarHBondContact O-N 2.91Å; D79-H83 IonicContact OD2-CD2 3.15Å; D79-H83 IonicContact OD2-NE2 3.57Å; H83-N85 PolarHBondContact O-N 3.5Å; H83-L86 PolarHBondContact O-N 3.37Å; H83-F87 HydrophobicContact CB-CD2 4.48Å; H83-F87 AromaticContact CE1-CE2 3.64Å; H83-F87 AromaticContact ND1-CD2 3.42Å; H83-F87 WeakPolarHBondContact ND1-CD2 3.42Å; H83-F87 AromaticContact ND1-CE2 3.1Å; H83-F87 WeakPolarHBondContact ND1-CE2 3.49Å; H83-F87 WeakPolarHBondContact O-CB 3.1Å; H83-F87 PolarHBondContact O-N 3.17Å |
| 84 | E | 48.6 | Very low | 52.4 | Low | 161 Ų | 161 | 117.6 Ų | 117.6 | 75% | 0.752 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.9 | -17.8 | 174.6 | -66.2 | -172 | 166.5 | 0 | 0 | 113.8 | K82 | K82-E84 VanDerWaalsContact C-N 3.34Å; K82-E84 PolarHBondContact O-N 2.86Å |
| 85 | N | 51.2 | Low | 54.2 | Low | 135 Ų | 135 | 115.1 Ų | 115.1 | 72% | 0.722 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -100.7 | -18.2 | 175 | -77.8 | -59.5 | 0 | 0 | 0 | 113.9 | K82 H83 | K82-N85 PolarHBondContact O-N 3.38Å; H83-N85 PolarHBondContact O-N 3.5Å |
| 86 | L | 48.2 | Very low | 56.1 | Low | 105 Ų | 105 | 112 Ų | 112 | 55% | 0.55 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -88.3 | -33 | 173.8 | -83 | 158.8 | 0 | 0 | 0 | 112.3 | K82 H83 S88 | K82-L86 PolarHBondContact O-N 3.22Å; H83-L86 PolarHBondContact O-N 3.37Å; L86-S88 VanDerWaalsContact C-N 3.28Å; L86-S88 PolarHBondContact O-N 3.37Å |
| 87 | F | 48 | Very low | 57.8 | Low | 128 Ų | 128 | 109.8 Ų | 109.8 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -92.5 | 53.3 | 165.8 | -64.8 | -55.8 | 0 | 0 | 0 | 111.4 | H83 N89 L92 | H83-F87 HydrophobicContact CB-CD2 4.48Å; H83-F87 AromaticContact CE1-CE2 3.64Å; H83-F87 AromaticContact ND1-CD2 3.42Å; H83-F87 WeakPolarHBondContact ND1-CD2 3.42Å; H83-F87 AromaticContact ND1-CE2 3.1Å; H83-F87 WeakPolarHBondContact ND1-CE2 3.49Å; H83-F87 WeakPolarHBondContact O-CB 3.1Å; H83-F87 PolarHBondContact O-N 3.17Å; F87-N89 PolarHBondContact O-N 3.15Å; F87-L92 HydrophobicContact CD1-CD1 3.76Å; F87-L92 HydrophobicContact CE1-CD1 4.16Å |
| 88 | S | 48.9 | Very low | 59.7 | Low | 37 Ų | 37 | 109.1 Ų | 109.1 | 26% | 0.259 | 56% | 0.558 | S | S | . | * | trans | -58.2 | 128 | 164.5 | 73.3 | 0 | 0 | 0 | 0 | 107.9 | L86 T90 K91 L92 | L86-S88 VanDerWaalsContact C-N 3.28Å; L86-S88 PolarHBondContact O-N 3.37Å; S88-T90 WeakPolarHBondContact CB-OG1 3.47Å; S88-T90 CarbonylContact O-C 3.59Å; S88-T90 PolarHBondContact O-N 2.89Å; S88-T90 PolarHBondContact OG-OG1 2.85Å; S88-K91 PolarHBondContact O-N 2.92Å; S88-L92 PolarHBondContact O-N 3.34Å | ||
| 89 | N | 55.7 | Low | 61.6 | Low | 144 Ų | 144 | 110.1 Ų | 110.1 | 77% | 0.77 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -52.4 | -27.3 | -174.2 | -141.9 | -21.4 | 0 | 0 | 0 | 112 | F87 S93 | F87-N89 PolarHBondContact O-N 3.15Å; N89-S93 VanDerWaalsContact O-CB 3.22Å; N89-S93 WeakPolarHBondContact O-CB 3.31Å; N89-S93 PolarHBondContact O-N 2.81Å; N89-S93 VanDerWaalsContact O-N 3.08Å |
| 90 | T | 62.5 | Low | 63.7 | Low | 91 Ų | 91 | 109.6 Ų | 109.6 | 56% | 0.558 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.1 | -55 | 168.8 | 42 | 0 | 0 | 0 | 0 | 115.2 | S88 L92 S93 D94 | S88-T90 WeakPolarHBondContact CB-OG1 3.47Å; S88-T90 CarbonylContact O-C 3.59Å; S88-T90 PolarHBondContact O-N 2.89Å; S88-T90 PolarHBondContact OG-OG1 2.85Å; T90-L92 VanDerWaalsContact C-N 3.32Å; T90-L92 PolarHBondContact O-N 3.06Å; T90-S93 CarbonylContact O-C 3.53Å; T90-S93 WeakPolarHBondContact O-CA 3.46Å; T90-S93 VanDerWaalsContact O-CB 3.31Å; T90-S93 WeakPolarHBondContact O-CB 3.35Å; T90-S93 PolarHBondContact O-N 3.08Å; T90-S93 VanDerWaalsContact O-N 3.15Å; T90-D94 VanDerWaalsContact O-CG 3.28Å; T90-D94 PolarHBondContact O-N 2.93Å |
| 91 | K | 64.4 | Low | 65.5 | Low | 125 Ų | 125 | 108.2 Ų | 108.2 | 54% | 0.543 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.3 | -33.2 | -174.6 | -76.7 | -174.9 | 177.5 | -179.8 | 0 | 112.9 | S88 D94 I95 | S88-K91 PolarHBondContact O-N 2.92Å; K91-D94 PolarHBondContact O-N 3.28Å; K91-I95 PolarHBondContact O-N 3.48Å |
| 92 | L | 61.6 | Low | 67.3 | Low | 91 Ų | 91 | 104.5 Ų | 104.5 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.5 | -34.7 | 175.7 | -155.2 | 141.7 | 0 | 0 | 0 | 110.4 | F87 S88 T90 I95 N96 | F87-L92 HydrophobicContact CD1-CD1 3.76Å; F87-L92 HydrophobicContact CE1-CD1 4.16Å; S88-L92 PolarHBondContact O-N 3.34Å; T90-L92 VanDerWaalsContact C-N 3.32Å; T90-L92 PolarHBondContact O-N 3.06Å; L92-I95 PolarHBondContact O-N 3.49Å; L92-N96 WeakPolarHBondContact O-CB 3.22Å; L92-N96 PolarHBondContact O-N 2.99Å |
| 93 | S | 67.2 | Low | 69.2 | Low | 60 Ų | 60 | 100.1 Ų | 100.1 | 42% | 0.42 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 166.7 | -179.6 | 0 | 0 | 0 | 0 | 113 | N89 T90 N96 T97 | N89-S93 VanDerWaalsContact O-CB 3.22Å; N89-S93 WeakPolarHBondContact O-CB 3.31Å; N89-S93 PolarHBondContact O-N 2.81Å; N89-S93 VanDerWaalsContact O-N 3.08Å; T90-S93 CarbonylContact O-C 3.53Å; T90-S93 WeakPolarHBondContact O-CA 3.46Å; T90-S93 VanDerWaalsContact O-CB 3.31Å; T90-S93 WeakPolarHBondContact O-CB 3.35Å; T90-S93 PolarHBondContact O-N 3.08Å; T90-S93 VanDerWaalsContact O-N 3.15Å; S93-N96 PolarHBondContact O-N 3.42Å; S93-T97 WeakPolarHBondContact O-CB 3.3Å; S93-T97 VanDerWaalsContact O-CG2 3.31Å; S93-T97 WeakPolarHBondContact O-CG2 3.44Å; S93-T97 PolarHBondContact O-N 2.89Å; S93-T97 PolarHBondContact O-OG1 3.43Å |
| 94 | D | 76.4 | Confident | 71.3 | Confident | 90 Ų | 90 | 99.7 Ų | 99.7 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 177.1 | -63.8 | -30.3 | 0 | 0 | 0 | 111.6 | T90 K91 T97 I98 | T90-D94 VanDerWaalsContact O-CG 3.28Å; T90-D94 PolarHBondContact O-N 2.93Å; K91-D94 PolarHBondContact O-N 3.28Å; D94-T97 WeakPolarHBondContact CA-OG1 3.31Å; D94-T97 PolarHBondContact O-OG1 2.9Å; D94-I98 VanDerWaalsContact O-CG1 3.3Å; D94-I98 WeakPolarHBondContact O-CG1 3.39Å; D94-I98 PolarHBondContact O-N 2.78Å |
| 95 | I | 78.6 | Confident | 73.4 | Confident | 124 Ų | 124 | 97.2 Ų | 97.2 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -43.2 | 175.3 | -69 | 169.7 | 0 | 0 | 0 | 110.8 | K91 L92 T97 I98 Y99 | K91-I95 PolarHBondContact O-N 3.48Å; L92-I95 PolarHBondContact O-N 3.49Å; I95-T97 PolarHBondContact O-N 2.76Å; I95-I98 PolarHBondContact O-N 2.84Å; I95-Y99 WeakPolarHBondContact O-CB 3.44Å; I95-Y99 PolarHBondContact O-N 3.42Å |
| 96 | N | 80.8 | Confident | 75.4 | Confident | 79 Ų | 79 | 96.5 Ų | 96.5 | 42% | 0.422 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 179.8 | -150.7 | 82.6 | 0 | 0 | 0 | 111.5 | L92 S93 Y99 D100 | L92-N96 WeakPolarHBondContact O-CB 3.22Å; L92-N96 PolarHBondContact O-N 2.99Å; S93-N96 PolarHBondContact O-N 3.42Å; N96-Y99 PolarHBondContact O-N 3.4Å; N96-D100 PolarHBondContact ND2-OD2 2.82Å; N96-D100 VanDerWaalsContact O-CB 3.31Å; N96-D100 WeakPolarHBondContact O-CB 3.31Å; N96-D100 PolarHBondContact O-N 3.46Å; N96-D100 VanDerWaalsContact O-OD2 3.14Å |
| 97 | T | 82.9 | Confident | 77.6 | Confident | 76 Ų | 76 | 98.8 Ų | 98.8 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.3 | -35.8 | 175.6 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | S93 D94 I95 H101 | S93-T97 WeakPolarHBondContact O-CB 3.3Å; S93-T97 VanDerWaalsContact O-CG2 3.31Å; S93-T97 WeakPolarHBondContact O-CG2 3.44Å; S93-T97 PolarHBondContact O-N 2.89Å; S93-T97 PolarHBondContact O-OG1 3.43Å; D94-T97 WeakPolarHBondContact CA-OG1 3.31Å; D94-T97 PolarHBondContact O-OG1 2.9Å; I95-T97 PolarHBondContact O-N 2.76Å; T97-H101 VanDerWaalsContact O-CB 3.22Å; T97-H101 WeakPolarHBondContact O-CB 3.22Å; T97-H101 PolarHBondContact O-N 3.2Å |
| 98 | I | 85.4 | Confident | 79.7 | Confident | 120 Ų | 120 | 98.6 Ų | 98.6 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 170.5 | -68.6 | 166 | 0 | 0 | 0 | 110.6 | D94 I95 H101 A102 | D94-I98 VanDerWaalsContact O-CG1 3.3Å; D94-I98 WeakPolarHBondContact O-CG1 3.39Å; D94-I98 PolarHBondContact O-N 2.78Å; I95-I98 PolarHBondContact O-N 2.84Å; I98-H101 PolarHBondContact O-N 2.85Å; I98-A102 WeakPolarHBondContact O-CB 3.26Å; I98-A102 PolarHBondContact O-N 2.87Å |
| 99 | Y | 89.4 | Confident | 81.9 | Confident | 159 Ų | 159 | 101.3 Ų | 101.3 | 62% | 0.624 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.8 | -48.1 | 177.3 | 178.9 | -94.1 | 0 | 0 | 0 | 111.7 | I95 N96 H101 A102 A103 | I95-Y99 WeakPolarHBondContact O-CB 3.44Å; I95-Y99 PolarHBondContact O-N 3.42Å; N96-Y99 PolarHBondContact O-N 3.4Å; Y99-H101 VanDerWaalsContact C-N 3.3Å; Y99-H101 PolarHBondContact O-N 3.34Å; Y99-A102 PolarHBondContact O-N 3.47Å; Y99-A103 HydrophobicContact CE1-CB 4.47Å; Y99-A103 VanDerWaalsContact O-CB 3.26Å; Y99-A103 WeakPolarHBondContact O-CB 3.13Å; Y99-A103 PolarHBondContact O-N 3.49Å |
| 100 | D | 89.2 | Confident | 83.8 | Confident | 74 Ų | 74 | 100.1 Ų | 100.1 | 40% | 0.396 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 177.3 | -69.7 | -30.3 | 0 | 0 | 0 | 111.2 | N96 S104 | N96-D100 PolarHBondContact ND2-OD2 2.82Å; N96-D100 VanDerWaalsContact O-CB 3.31Å; N96-D100 WeakPolarHBondContact O-CB 3.31Å; N96-D100 PolarHBondContact O-N 3.46Å; N96-D100 VanDerWaalsContact O-OD2 3.14Å; D100-S104 WeakPolarHBondContact O-CB 3.36Å; D100-S104 PolarHBondContact O-N 2.67Å; D100-S104 PolarHBondContact O-OG 2.85Å |
| 101 | H | 88.2 | Confident | 85.3 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -45.8 | 173.3 | -177.4 | 67.7 | 0 | 0 | 0 | 112 | T97 I98 Y99 S104 K105 | T97-H101 VanDerWaalsContact O-CB 3.22Å; T97-H101 WeakPolarHBondContact O-CB 3.22Å; T97-H101 PolarHBondContact O-N 3.2Å; I98-H101 PolarHBondContact O-N 2.85Å; Y99-H101 VanDerWaalsContact C-N 3.3Å; Y99-H101 PolarHBondContact O-N 3.34Å; H101-S104 PolarHBondContact O-N 2.87Å; H101-K105 VanDerWaalsContact O-CB 3.28Å; H101-K105 WeakPolarHBondContact O-CB 3.47Å; H101-K105 PolarHBondContact O-N 3.4Å |
| 102 | A | 89.3 | Confident | 86.7 | Confident | 55 Ų | 55 | 95.3 Ų | 95.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I98 Y99 K105 L106 | I98-A102 WeakPolarHBondContact O-CB 3.26Å; I98-A102 PolarHBondContact O-N 2.87Å; Y99-A102 PolarHBondContact O-N 3.47Å; A102-K105 PolarHBondContact O-N 3.33Å; A102-L106 WeakPolarHBondContact O-CB 3.32Å; A102-L106 PolarHBondContact O-N 2.88Å |
| 103 | A | 89.7 | Confident | 88.3 | Confident | 43 Ų | 43 | 97.1 Ų | 97.1 | 36% | 0.355 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y99 L106 K107 | Y99-A103 HydrophobicContact CE1-CB 4.47Å; Y99-A103 VanDerWaalsContact O-CB 3.26Å; Y99-A103 WeakPolarHBondContact O-CB 3.13Å; Y99-A103 PolarHBondContact O-N 3.49Å; A103-L106 PolarHBondContact O-N 2.86Å; A103-K107 VanDerWaalsContact O-CB 3.24Å; A103-K107 WeakPolarHBondContact O-CB 3.28Å; A103-K107 PolarHBondContact O-N 2.87Å |
| 104 | S | 90.7 | Very high | 89.6 | Confident | 74 Ų | 74 | 101.4 Ų | 101.4 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 174.8 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | D100 H101 K107 E108 | D100-S104 WeakPolarHBondContact O-CB 3.36Å; D100-S104 PolarHBondContact O-N 2.67Å; D100-S104 PolarHBondContact O-OG 2.85Å; H101-S104 PolarHBondContact O-N 2.87Å; S104-K107 WeakPolarHBondContact O-CB 3.27Å; S104-K107 PolarHBondContact O-N 3.36Å; S104-E108 WeakPolarHBondContact O-CB 3.33Å; S104-E108 PolarHBondContact O-N 2.92Å |
| 105 | K | 92.5 | Very high | 90.5 | Very high | 109 Ų | 109 | 102.5 Ų | 102.5 | 47% | 0.474 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.4 | -35.6 | 179 | -168.5 | 168 | -171.5 | 169.1 | 0 | 112.9 | H101 A102 N109 | H101-K105 VanDerWaalsContact O-CB 3.28Å; H101-K105 WeakPolarHBondContact O-CB 3.47Å; H101-K105 PolarHBondContact O-N 3.4Å; A102-K105 PolarHBondContact O-N 3.33Å; K105-N109 VanDerWaalsContact O-CB 3.32Å; K105-N109 WeakPolarHBondContact O-CB 3.35Å; K105-N109 PolarHBondContact O-N 2.82Å; K105-N109 PolarHBondContact O-ND2 2.97Å |
| 106 | L | 93.1 | Very high | 91.3 | Very high | 121 Ų | 121 | 99.8 Ų | 99.8 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.2 | -42.8 | 171.3 | 178.4 | 61.4 | 0 | 0 | 0 | 111.1 | A102 A103 N109 L110 | A102-L106 WeakPolarHBondContact O-CB 3.32Å; A102-L106 PolarHBondContact O-N 2.88Å; A103-L106 PolarHBondContact O-N 2.86Å; L106-N109 PolarHBondContact O-N 2.79Å; L106-L110 VanDerWaalsContact O-CB 3.27Å; L106-L110 WeakPolarHBondContact O-CB 3.2Å; L106-L110 PolarHBondContact O-N 3.44Å |
| 107 | K | 94.8 | Very high | 92.1 | Very high | 152 Ų | 152 | 98.4 Ų | 98.4 | 66% | 0.661 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.6 | -47.7 | 174.6 | -178.6 | -177.3 | 177.7 | -175.7 | 0 | 111 | A103 S104 L110 T111 | A103-K107 VanDerWaalsContact O-CB 3.24Å; A103-K107 WeakPolarHBondContact O-CB 3.28Å; A103-K107 PolarHBondContact O-N 2.87Å; S104-K107 WeakPolarHBondContact O-CB 3.27Å; S104-K107 PolarHBondContact O-N 3.36Å; K107-L110 PolarHBondContact O-N 2.92Å; K107-T111 WeakPolarHBondContact O-CG2 3.24Å; K107-T111 PolarHBondContact O-N 3.33Å; K107-T111 PolarHBondContact O-OG1 2.88Å |
| 108 | E | 93.3 | Very high | 92.7 | Very high | 125 Ų | 125 | 99.3 Ų | 99.3 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -55.9 | -54.8 | 175.3 | -176.6 | -179.7 | -168.2 | 0 | 0 | 111.1 | S104 L110 T111 A112 | S104-E108 WeakPolarHBondContact O-CB 3.33Å; S104-E108 PolarHBondContact O-N 2.92Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 3.46Å; E108-T111 WeakPolarHBondContact CA-OG1 3.32Å; E108-T111 PolarHBondContact O-N 3.43Å; E108-T111 PolarHBondContact O-OG1 2.83Å; E108-A112 WeakPolarHBondContact O-CB 3.49Å; E108-A112 PolarHBondContact O-N 3.18Å |
| 109 | N | 93.9 | Very high | 93.2 | Very high | 93 Ų | 93 | 100.3 Ų | 100.3 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.3 | -43.4 | 177.1 | -74.7 | -13.8 | 0 | 0 | 0 | 112.6 | K105 L106 A112 H113 | K105-N109 VanDerWaalsContact O-CB 3.32Å; K105-N109 WeakPolarHBondContact O-CB 3.35Å; K105-N109 PolarHBondContact O-N 2.82Å; K105-N109 PolarHBondContact O-ND2 2.97Å; L106-N109 PolarHBondContact O-N 2.79Å; N109-A112 PolarHBondContact O-N 2.78Å; N109-H113 WeakPolarHBondContact O-CB 3.42Å; N109-H113 PolarHBondContact O-N 2.84Å |
| 110 | L | 94.9 | Very high | 93.6 | Very high | 119 Ų | 119 | 99.1 Ų | 99.1 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.4 | -40.2 | 178.6 | -175.6 | 64.8 | 0 | 0 | 0 | 111.3 | L106 K107 E108 Y114 | L106-L110 VanDerWaalsContact O-CB 3.27Å; L106-L110 WeakPolarHBondContact O-CB 3.2Å; L106-L110 PolarHBondContact O-N 3.44Å; K107-L110 PolarHBondContact O-N 2.92Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 3.46Å; L110-Y114 WeakPolarHBondContact O-CB 3.4Å; L110-Y114 PolarHBondContact O-N 3.49Å |
| 111 | T | 94.4 | Very high | 93.9 | Very high | 66 Ų | 66 | 100.2 Ų | 100.2 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 174.4 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | K107 E108 Y114 Q115 | K107-T111 WeakPolarHBondContact O-CG2 3.24Å; K107-T111 PolarHBondContact O-N 3.33Å; K107-T111 PolarHBondContact O-OG1 2.88Å; E108-T111 WeakPolarHBondContact CA-OG1 3.32Å; E108-T111 PolarHBondContact O-N 3.43Å; E108-T111 PolarHBondContact O-OG1 2.83Å; T111-Y114 PolarHBondContact O-N 2.85Å; T111-Q115 WeakPolarHBondContact O-CB 3.5Å; T111-Q115 VanDerWaalsContact O-CG 3.24Å; T111-Q115 WeakPolarHBondContact O-CG 3.29Å; T111-Q115 PolarHBondContact O-N 3.45Å |
| 112 | A | 94.1 | Very high | 94.3 | Very high | 50 Ų | 50 | 99 Ų | 99 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E108 N109 Q115 S116 | E108-A112 WeakPolarHBondContact O-CB 3.49Å; E108-A112 PolarHBondContact O-N 3.18Å; N109-A112 PolarHBondContact O-N 2.78Å; A112-Q115 PolarHBondContact O-N 3.38Å; A112-S116 VanDerWaalsContact O-CB 3.29Å; A112-S116 WeakPolarHBondContact O-CB 3.23Å; A112-S116 PolarHBondContact O-N 3.43Å |
| 113 | H | 95 | Very high | 94.6 | Very high | 128 Ų | 128 | 99.2 Ų | 99.2 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -40.9 | 174.7 | -172.4 | -73.7 | 0 | 0 | 0 | 111.9 | N109 S116 V117 | N109-H113 WeakPolarHBondContact O-CB 3.42Å; N109-H113 PolarHBondContact O-N 2.84Å; H113-S116 PolarHBondContact O-N 2.89Å; H113-V117 VanDerWaalsContact CE1-CG2 3.49Å; H113-V117 WeakPolarHBondContact CE1-CG2 3.4Å; H113-V117 WeakPolarHBondContact O-CB 3.24Å; H113-V117 WeakPolarHBondContact O-CG2 3.36Å; H113-V117 PolarHBondContact O-N 2.88Å |
| 114 | Y | 95.8 | Very high | 95 | Very high | 150 Ų | 150 | 100.7 Ų | 100.7 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.5 | -46.8 | 174.1 | 172.7 | -92.3 | 0 | 0 | 0 | 111.4 | L110 T111 V117 Q118 | L110-Y114 WeakPolarHBondContact O-CB 3.4Å; L110-Y114 PolarHBondContact O-N 3.49Å; T111-Y114 PolarHBondContact O-N 2.85Å; Y114-V117 PolarHBondContact O-N 3.31Å; Y114-Q118 VanDerWaalsContact O-CB 3.23Å; Y114-Q118 WeakPolarHBondContact O-CB 3.4Å; Y114-Q118 PolarHBondContact O-N 3.42Å; Y114-Q118 PolarHBondContact OH-OE1 3.41Å |
| 115 | Q | 95.3 | Very high | 95.3 | Very high | 114 Ų | 114 | 101.2 Ų | 101.2 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 175.1 | -75.5 | 169.8 | -10.9 | 0 | 0 | 111.4 | T111 A112 V117 Q118 E119 | T111-Q115 WeakPolarHBondContact O-CB 3.5Å; T111-Q115 VanDerWaalsContact O-CG 3.24Å; T111-Q115 WeakPolarHBondContact O-CG 3.29Å; T111-Q115 PolarHBondContact O-N 3.45Å; A112-Q115 PolarHBondContact O-N 3.38Å; Q115-V117 PolarHBondContact O-N 3.35Å; Q115-Q118 PolarHBondContact O-N 2.95Å; Q115-E119 WeakPolarHBondContact O-CB 3.45Å; Q115-E119 WeakPolarHBondContact O-CG 3.28Å; Q115-E119 PolarHBondContact O-N 2.9Å |
| 116 | S | 95.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 102.5 Ų | 102.5 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | A112 H113 E119 E120 | A112-S116 VanDerWaalsContact O-CB 3.29Å; A112-S116 WeakPolarHBondContact O-CB 3.23Å; A112-S116 PolarHBondContact O-N 3.43Å; H113-S116 PolarHBondContact O-N 2.89Å; S116-E119 PolarHBondContact O-N 3.25Å; S116-E120 WeakPolarHBondContact O-CB 3.18Å; S116-E120 PolarHBondContact O-N 3.48Å |
| 117 | V | 95.6 | Very high | 95.7 | Very high | 49 Ų | 49 | 101.3 Ų | 101.3 | 30% | 0.297 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70 | -38 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | H113 Y114 Q115 E119 E120 I121 | H113-V117 VanDerWaalsContact CE1-CG2 3.49Å; H113-V117 WeakPolarHBondContact CE1-CG2 3.4Å; H113-V117 WeakPolarHBondContact O-CB 3.24Å; H113-V117 WeakPolarHBondContact O-CG2 3.36Å; H113-V117 PolarHBondContact O-N 2.88Å; Y114-V117 PolarHBondContact O-N 3.31Å; Q115-V117 PolarHBondContact O-N 3.35Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 2.9Å; V117-E120 PolarHBondContact O-N 2.83Å; V117-I121 HydrophobicContact CG1-CD1 3.74Å; V117-I121 HydrophobicContact CG1-CG1 4.31Å; V117-I121 WeakPolarHBondContact O-CB 3.37Å; V117-I121 VanDerWaalsContact O-CG1 3.28Å; V117-I121 WeakPolarHBondContact O-CG1 3.29Å; V117-I121 PolarHBondContact O-N 3.49Å |
| 118 | Q | 97 | Very high | 95.8 | Very high | 96 Ų | 96 | 100 Ų | 100 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 173.7 | -178.2 | -178.7 | -24.7 | 0 | 0 | 111.1 | Y114 Q115 M122 | Y114-Q118 VanDerWaalsContact O-CB 3.23Å; Y114-Q118 WeakPolarHBondContact O-CB 3.4Å; Y114-Q118 PolarHBondContact O-N 3.42Å; Y114-Q118 PolarHBondContact OH-OE1 3.41Å; Q115-Q118 PolarHBondContact O-N 2.95Å; Q118-M122 VanDerWaalsContact O-CB 3.28Å; Q118-M122 WeakPolarHBondContact O-CB 3.45Å; Q118-M122 WeakPolarHBondContact O-CG 3.28Å; Q118-M122 PolarHBondContact O-N 3.14Å |
| 119 | E | 96.3 | Very high | 96 | Very high | 140 Ų | 140 | 100.9 Ų | 100.9 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 175.5 | -75.2 | -179.9 | 179.9 | 0 | 0 | 112.3 | Q115 S116 V117 M122 S123 | Q115-E119 WeakPolarHBondContact O-CB 3.45Å; Q115-E119 WeakPolarHBondContact O-CG 3.28Å; Q115-E119 PolarHBondContact O-N 2.9Å; S116-E119 PolarHBondContact O-N 3.25Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 2.9Å; E119-M122 PolarHBondContact O-N 2.88Å; E119-S123 WeakPolarHBondContact O-CB 3.43Å; E119-S123 PolarHBondContact O-N 3.49Å |
| 120 | E | 96.5 | Very high | 96.1 | Very high | 134 Ų | 134 | 98.6 Ų | 98.6 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -48.2 | 176 | -172.6 | -177.8 | 176.2 | 0 | 0 | 111.6 | S116 V117 S123 S124 | S116-E120 WeakPolarHBondContact O-CB 3.18Å; S116-E120 PolarHBondContact O-N 3.48Å; V117-E120 PolarHBondContact O-N 2.83Å; E120-S123 PolarHBondContact O-N 3.27Å; E120-S124 VanDerWaalsContact O-CB 3.29Å; E120-S124 WeakPolarHBondContact O-CB 3.33Å; E120-S124 PolarHBondContact O-N 2.8Å |
| 121 | I | 96.7 | Very high | 96.2 | Very high | 98 Ų | 98 | 95.4 Ų | 95.4 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 176.4 | -68.5 | 169.1 | 0 | 0 | 0 | 110.2 | V117 S123 S124 V125 | V117-I121 HydrophobicContact CG1-CD1 3.74Å; V117-I121 HydrophobicContact CG1-CG1 4.31Å; V117-I121 WeakPolarHBondContact O-CB 3.37Å; V117-I121 VanDerWaalsContact O-CG1 3.28Å; V117-I121 WeakPolarHBondContact O-CG1 3.29Å; V117-I121 PolarHBondContact O-N 3.49Å; I121-S123 VanDerWaalsContact C-N 3.29Å; I121-S123 PolarHBondContact O-N 3.28Å; I121-S124 PolarHBondContact O-N 3.23Å; I121-V125 HydrophobicContact CG2-CG2 4.3Å; I121-V125 WeakPolarHBondContact O-CB 3.44Å; I121-V125 VanDerWaalsContact O-CG2 3.31Å; I121-V125 WeakPolarHBondContact O-CG2 3.32Å; I121-V125 PolarHBondContact O-N 2.84Å |
| 122 | M | 96.5 | Very high | 96.4 | Very high | 96 Ų | 96 | 96 Ų | 96 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 178.6 | -74.3 | -61.3 | -60.6 | 0 | 0 | 112.4 | Q118 E119 K126 | Q118-M122 VanDerWaalsContact O-CB 3.28Å; Q118-M122 WeakPolarHBondContact O-CB 3.45Å; Q118-M122 WeakPolarHBondContact O-CG 3.28Å; Q118-M122 PolarHBondContact O-N 3.14Å; E119-M122 PolarHBondContact O-N 2.88Å; M122-K126 WeakPolarHBondContact O-CB 3.18Å; M122-K126 WeakPolarHBondContact O-CD 3.31Å; M122-K126 WeakPolarHBondContact O-CG 3.4Å; M122-K126 PolarHBondContact O-N 3.15Å; M122-K126 VanDerWaalsContact O-N 3.14Å |
| 123 | S | 96.1 | Very high | 96.5 | Very high | 60 Ų | 60 | 98.3 Ų | 98.3 | 42% | 0.42 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -48.7 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | E119 E120 I121 V125 K126 N127 | E119-S123 WeakPolarHBondContact O-CB 3.43Å; E119-S123 PolarHBondContact O-N 3.49Å; E120-S123 PolarHBondContact O-N 3.27Å; I121-S123 VanDerWaalsContact C-N 3.29Å; I121-S123 PolarHBondContact O-N 3.28Å; S123-V125 PolarHBondContact O-N 2.8Å; S123-K126 PolarHBondContact O-N 2.78Å; S123-N127 WeakPolarHBondContact O-CB 3.48Å; S123-N127 PolarHBondContact O-N 2.87Å; S123-N127 PolarHBondContact O-ND2 3.4Å; S123-N127 VanDerWaalsContact O-ND2 3.15Å |
| 124 | S | 96.6 | Very high | 96.7 | Very high | 73 Ų | 73 | 98.9 Ų | 98.9 | 51% | 0.51 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 178.7 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | E120 I121 K126 N127 L128 | E120-S124 VanDerWaalsContact O-CB 3.29Å; E120-S124 WeakPolarHBondContact O-CB 3.33Å; E120-S124 PolarHBondContact O-N 2.8Å; I121-S124 PolarHBondContact O-N 3.23Å; S124-K126 PolarHBondContact O-N 3.42Å; S124-N127 PolarHBondContact O-N 3.3Å; S124-L128 WeakPolarHBondContact O-CB 3.28Å; S124-L128 PolarHBondContact O-N 3.38Å |
| 125 | V | 97 | Very high | 96.8 | Very high | 85 Ų | 85 | 97.7 Ų | 97.7 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | I121 S123 N127 F129 | I121-V125 HydrophobicContact CG2-CG2 4.3Å; I121-V125 WeakPolarHBondContact O-CB 3.44Å; I121-V125 VanDerWaalsContact O-CG2 3.31Å; I121-V125 WeakPolarHBondContact O-CG2 3.32Å; I121-V125 PolarHBondContact O-N 2.84Å; S123-V125 PolarHBondContact O-N 2.8Å; V125-N127 PolarHBondContact O-N 2.95Å; V125-F129 WeakPolarHBondContact O-CB 3.13Å; V125-F129 PolarHBondContact O-N 2.91Å |
| 126 | K | 97.2 | Very high | 96.9 | Very high | 136 Ų | 136 | 96.4 Ų | 96.4 | 59% | 0.591 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | 174.2 | -77.7 | 170.1 | -176 | 175.3 | 0 | 111.7 | M122 S123 S124 S130 | M122-K126 WeakPolarHBondContact O-CB 3.18Å; M122-K126 WeakPolarHBondContact O-CD 3.31Å; M122-K126 WeakPolarHBondContact O-CG 3.4Å; M122-K126 PolarHBondContact O-N 3.15Å; M122-K126 VanDerWaalsContact O-N 3.14Å; S123-K126 PolarHBondContact O-N 2.78Å; S124-K126 PolarHBondContact O-N 3.42Å; K126-S130 VanDerWaalsContact O-CB 3.28Å; K126-S130 WeakPolarHBondContact O-CB 3.37Å; K126-S130 PolarHBondContact O-N 3.49Å |
| 127 | N | 97.3 | Very high | 97 | Very high | 96 Ų | 96 | 99.7 Ų | 99.7 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -49.2 | -179.9 | -71.6 | -27.6 | 0 | 0 | 0 | 111.1 | S123 S124 V125 S130 A131 | S123-N127 WeakPolarHBondContact O-CB 3.48Å; S123-N127 PolarHBondContact O-N 2.87Å; S123-N127 PolarHBondContact O-ND2 3.4Å; S123-N127 VanDerWaalsContact O-ND2 3.15Å; S124-N127 PolarHBondContact O-N 3.3Å; V125-N127 PolarHBondContact O-N 2.95Å; N127-S130 PolarHBondContact O-N 2.69Å; N127-S130 PolarHBondContact O-OG 2.93Å; N127-A131 WeakPolarHBondContact O-CB 3.47Å; N127-A131 PolarHBondContact O-N 3.2Å |
| 128 | L | 97.1 | Very high | 97.1 | Very high | 126 Ų | 126 | 100.6 Ų | 100.6 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.7 | -50 | 176.4 | -179.9 | 63.6 | 0 | 0 | 0 | 111.6 | S124 S130 A131 E132 | S124-L128 WeakPolarHBondContact O-CB 3.28Å; S124-L128 PolarHBondContact O-N 3.38Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 3.22Å; L128-A131 PolarHBondContact O-N 2.89Å; L128-E132 WeakPolarHBondContact O-CB 3.33Å; L128-E132 PolarHBondContact O-N 2.82Å |
| 129 | F | 97 | Very high | 97.2 | Very high | 143 Ų | 143 | 98.5 Ų | 98.5 | 63% | 0.627 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | 177.8 | -170.3 | -98.1 | 0 | 0 | 0 | 111.9 | V125 A131 L133 | V125-F129 WeakPolarHBondContact O-CB 3.13Å; V125-F129 PolarHBondContact O-N 2.91Å; F129-A131 VanDerWaalsContact C-N 3.35Å; F129-A131 PolarHBondContact O-N 3.16Å; F129-L133 HydrophobicContact CE1-CD2 4.31Å; F129-L133 WeakPolarHBondContact O-CB 3.15Å; F129-L133 PolarHBondContact O-N 3.15Å |
| 130 | S | 96.6 | Very high | 97.3 | Very high | 44 Ų | 44 | 97.7 Ų | 97.7 | 31% | 0.308 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 176.4 | 85.3 | 0 | 0 | 0 | 0 | 113 | K126 N127 L128 K134 | K126-S130 VanDerWaalsContact O-CB 3.28Å; K126-S130 WeakPolarHBondContact O-CB 3.37Å; K126-S130 PolarHBondContact O-N 3.49Å; N127-S130 PolarHBondContact O-N 2.69Å; N127-S130 PolarHBondContact O-OG 2.93Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 3.22Å; S130-K134 WeakPolarHBondContact O-CB 3.5Å; S130-K134 VanDerWaalsContact O-CD 3.31Å; S130-K134 WeakPolarHBondContact O-CD 3.47Å; S130-K134 WeakPolarHBondContact O-CG 3.5Å; S130-K134 PolarHBondContact O-N 3.41Å; S130-K134 VanDerWaalsContact O-N 3.15Å |
| 131 | A | 97.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 94.7 Ų | 94.7 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.2 | -45.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | N127 L128 F129 K134 R135 | N127-A131 WeakPolarHBondContact O-CB 3.47Å; N127-A131 PolarHBondContact O-N 3.2Å; L128-A131 PolarHBondContact O-N 2.89Å; F129-A131 VanDerWaalsContact C-N 3.35Å; F129-A131 PolarHBondContact O-N 3.16Å; A131-K134 WeakPolarHBondContact O-CB 3.31Å; A131-K134 PolarHBondContact O-N 3.48Å; A131-R135 PolarHBondContact O-N 2.77Å |
| 132 | E | 96.9 | Very high | 97.4 | Very high | 78 Ų | 78 | 95.2 Ų | 95.2 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 179.2 | -174.8 | 61.5 | -177.3 | 0 | 0 | 111.8 | L128 K134 R135 I136 | L128-E132 WeakPolarHBondContact O-CB 3.33Å; L128-E132 PolarHBondContact O-N 2.82Å; E132-K134 VanDerWaalsContact C-N 3.33Å; E132-K134 PolarHBondContact O-N 2.86Å; E132-R135 WeakPolarHBondContact O-CB 3.32Å; E132-R135 PolarHBondContact O-N 3.24Å; E132-R135 IonicContact OE1-CZ 2.86Å; E132-R135 IonicContact OE1-NE 2.78Å; E132-R135 IonicContact OE1-NH2 2.68Å; E132-R135 PolarHBondContact OE1-NH2 3.19Å; E132-R135 IonicContact OE2-CZ 2.82Å; E132-R135 IonicContact OE2-NE 3.49Å; E132-R135 PolarHBondContact OE2-NE 2.92Å; E132-R135 IonicContact OE2-NH2 3.25Å; E132-R135 PolarHBondContact OE2-NH2 3.28Å; E132-I136 HydrophobicContact CG-CD1 3.93Å; E132-I136 HydrophobicContact CG-CG1 4.49Å; E132-I136 WeakPolarHBondContact O-CB 3.47Å; E132-I136 VanDerWaalsContact O-CG1 3.32Å; E132-I136 WeakPolarHBondContact O-CG1 3.19Å; E132-I136 PolarHBondContact O-N 3.32Å |
| 133 | L | 97.9 | Very high | 97.5 | Very high | 98 Ų | 98 | 95.7 Ų | 95.7 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 173.6 | -175.5 | 64.8 | 0 | 0 | 0 | 112.2 | F129 K137 | F129-L133 HydrophobicContact CE1-CD2 4.31Å; F129-L133 WeakPolarHBondContact O-CB 3.15Å; F129-L133 PolarHBondContact O-N 3.15Å; L133-K137 VanDerWaalsContact O-CB 3.25Å; L133-K137 WeakPolarHBondContact O-CB 3.27Å; L133-K137 PolarHBondContact O-N 2.87Å |
| 134 | K | 97.8 | Very high | 97.6 | Very high | 141 Ų | 141 | 98.5 Ų | 98.5 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 172.4 | -76.9 | 165.7 | -173.8 | 168.7 | 0 | 111.2 | S130 A131 E132 K137 T138 | S130-K134 WeakPolarHBondContact O-CB 3.5Å; S130-K134 VanDerWaalsContact O-CD 3.31Å; S130-K134 WeakPolarHBondContact O-CD 3.47Å; S130-K134 WeakPolarHBondContact O-CG 3.5Å; S130-K134 PolarHBondContact O-N 3.41Å; S130-K134 VanDerWaalsContact O-N 3.15Å; A131-K134 WeakPolarHBondContact O-CB 3.31Å; A131-K134 PolarHBondContact O-N 3.48Å; E132-K134 VanDerWaalsContact C-N 3.33Å; E132-K134 PolarHBondContact O-N 2.86Å; K134-K137 PolarHBondContact O-N 2.91Å; K134-T138 PolarHBondContact O-N 3.15Å; K134-T138 PolarHBondContact O-OG1 3.43Å |
| 135 | R | 98.1 | Very high | 97.6 | Very high | 124 Ų | 124 | 100.8 Ų | 100.8 | 47% | 0.468 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -52.7 | 178.9 | -169.2 | -174.5 | 71.1 | 81.5 | -10.5 | 111.5 | A131 E132 K137 T138 D139 | A131-R135 PolarHBondContact O-N 2.77Å; E132-R135 WeakPolarHBondContact O-CB 3.32Å; E132-R135 PolarHBondContact O-N 3.24Å; E132-R135 IonicContact OE1-CZ 2.86Å; E132-R135 IonicContact OE1-NE 2.78Å; E132-R135 IonicContact OE1-NH2 2.68Å; E132-R135 PolarHBondContact OE1-NH2 3.19Å; E132-R135 IonicContact OE2-CZ 2.82Å; E132-R135 IonicContact OE2-NE 3.49Å; E132-R135 PolarHBondContact OE2-NE 2.92Å; E132-R135 IonicContact OE2-NH2 3.25Å; E132-R135 PolarHBondContact OE2-NH2 3.28Å; R135-K137 VanDerWaalsContact C-N 3.3Å; R135-K137 PolarHBondContact O-N 2.9Å; R135-T138 WeakPolarHBondContact CA-OG1 3.42Å; R135-T138 PolarHBondContact O-N 3.1Å; R135-T138 VanDerWaalsContact O-N 3.1Å; R135-T138 PolarHBondContact O-OG1 3.08Å; R135-D139 IonicContact NH1-OD2 2.79Å; R135-D139 PolarHBondContact NH1-OD2 2.93Å; R135-D139 VanDerWaalsContact NH1-OD2 3.16Å; R135-D139 PolarHBondContact O-N 3.35Å |
| 136 | I | 97.5 | Very high | 97.7 | Very high | 88 Ų | 88 | 102.3 Ų | 102.3 | 45% | 0.451 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.5 | -44.2 | 176 | -67.8 | 168.3 | 0 | 0 | 0 | 110.6 | E132 T138 D139 M140 | E132-I136 HydrophobicContact CG-CD1 3.93Å; E132-I136 HydrophobicContact CG-CG1 4.49Å; E132-I136 WeakPolarHBondContact O-CB 3.47Å; E132-I136 VanDerWaalsContact O-CG1 3.32Å; E132-I136 WeakPolarHBondContact O-CG1 3.19Å; E132-I136 PolarHBondContact O-N 3.32Å; I136-T138 PolarHBondContact O-N 3.37Å; I136-D139 PolarHBondContact O-N 2.94Å; I136-M140 VanDerWaalsContact O-CB 3.27Å; I136-M140 WeakPolarHBondContact O-CB 3.25Å; I136-M140 PolarHBondContact O-N 3.14Å |
| 137 | K | 98.2 | Very high | 97.8 | Very high | 136 Ų | 136 | 100.3 Ų | 100.3 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.6 | -44.8 | 175.9 | -178 | 177.6 | 178.9 | 178.6 | 0 | 112.2 | L133 K134 R135 I141 | L133-K137 VanDerWaalsContact O-CB 3.25Å; L133-K137 WeakPolarHBondContact O-CB 3.27Å; L133-K137 PolarHBondContact O-N 2.87Å; K134-K137 PolarHBondContact O-N 2.91Å; R135-K137 VanDerWaalsContact C-N 3.3Å; R135-K137 PolarHBondContact O-N 2.9Å; K137-I141 HydrophobicContact CG-CD1 4.04Å; K137-I141 WeakPolarHBondContact O-CD1 3.32Å; K137-I141 VanDerWaalsContact O-CG1 3.27Å; K137-I141 WeakPolarHBondContact O-CG1 3.43Å; K137-I141 PolarHBondContact O-N 2.95Å; K137-I141 VanDerWaalsContact O-N 3.09Å |
| 138 | T | 97.9 | Very high | 97.8 | Very high | 68 Ų | 68 | 98.9 Ų | 98.9 | 42% | 0.417 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67 | -38 | 178.2 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | K134 R135 I136 I141 K142 | K134-T138 PolarHBondContact O-N 3.15Å; K134-T138 PolarHBondContact O-OG1 3.43Å; R135-T138 WeakPolarHBondContact CA-OG1 3.42Å; R135-T138 PolarHBondContact O-N 3.1Å; R135-T138 VanDerWaalsContact O-N 3.1Å; R135-T138 PolarHBondContact O-OG1 3.08Å; I136-T138 PolarHBondContact O-N 3.37Å; T138-I141 PolarHBondContact O-N 3.48Å; T138-K142 WeakPolarHBondContact O-CG 3.45Å; T138-K142 PolarHBondContact O-N 2.99Å; T138-K142 VanDerWaalsContact O-N 3.08Å |
| 139 | D | 98.2 | Very high | 97.8 | Very high | 51 Ų | 51 | 96.8 Ų | 96.8 | 27% | 0.273 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.7 | -35.9 | -180 | -65.4 | -22.2 | 0 | 0 | 0 | 111.1 | R135 I136 K142 L143 | R135-D139 IonicContact NH1-OD2 2.79Å; R135-D139 PolarHBondContact NH1-OD2 2.93Å; R135-D139 VanDerWaalsContact NH1-OD2 3.16Å; R135-D139 PolarHBondContact O-N 3.35Å; I136-D139 PolarHBondContact O-N 2.94Å; D139-K142 PolarHBondContact O-N 3.4Å; D139-K142 IonicContact OD1-NZ 3.53Å; D139-K142 PolarHBondContact OD1-NZ 3.41Å; D139-K142 VanDerWaalsContact OD1-NZ 3.15Å; D139-L143 WeakPolarHBondContact O-CB 3.27Å; D139-L143 WeakPolarHBondContact O-CG 3.48Å; D139-L143 PolarHBondContact O-N 3.09Å |
| 140 | M | 97.9 | Very high | 97.9 | Very high | 123 Ų | 123 | 95.4 Ų | 95.4 | 61% | 0.606 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 170.8 | -171.2 | -170 | 79.4 | 0 | 0 | 112.2 | I136 H144 | I136-M140 VanDerWaalsContact O-CB 3.27Å; I136-M140 WeakPolarHBondContact O-CB 3.25Å; I136-M140 PolarHBondContact O-N 3.14Å; M140-H144 VanDerWaalsContact O-CB 3.31Å; M140-H144 WeakPolarHBondContact O-CB 3.35Å; M140-H144 PolarHBondContact O-N 3.25Å |
| 141 | I | 98 | Very high | 98 | Very high | 72 Ų | 72 | 100.6 Ų | 100.6 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -48.9 | 176.5 | -70 | 163.9 | 0 | 0 | 0 | 110.5 | K137 T138 L143 H144 E145 | K137-I141 HydrophobicContact CG-CD1 4.04Å; K137-I141 WeakPolarHBondContact O-CD1 3.32Å; K137-I141 VanDerWaalsContact O-CG1 3.27Å; K137-I141 WeakPolarHBondContact O-CG1 3.43Å; K137-I141 PolarHBondContact O-N 2.95Å; K137-I141 VanDerWaalsContact O-N 3.09Å; T138-I141 PolarHBondContact O-N 3.48Å; I141-L143 PolarHBondContact O-N 2.93Å; I141-H144 WeakPolarHBondContact O-CB 3.33Å; I141-H144 PolarHBondContact O-N 3.32Å; I141-H144 VanDerWaalsContact O-N 3.14Å; I141-E145 WeakPolarHBondContact CG2-OE1 3.43Å; I141-E145 WeakPolarHBondContact O-CG 3.41Å; I141-E145 PolarHBondContact O-N 2.92Å |
| 142 | K | 98.1 | Very high | 98 | Very high | 108 Ų | 108 | 100.7 Ų | 100.7 | 47% | 0.47 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 177.1 | -68.9 | 168.3 | -169.2 | 161.6 | 0 | 112.4 | T138 D139 H144 E145 Q146 | T138-K142 WeakPolarHBondContact O-CG 3.45Å; T138-K142 PolarHBondContact O-N 2.99Å; T138-K142 VanDerWaalsContact O-N 3.08Å; D139-K142 PolarHBondContact O-N 3.4Å; D139-K142 IonicContact OD1-NZ 3.53Å; D139-K142 PolarHBondContact OD1-NZ 3.41Å; D139-K142 VanDerWaalsContact OD1-NZ 3.15Å; K142-H144 VanDerWaalsContact C-N 3.33Å; K142-E145 PolarHBondContact O-N 3.39Å; K142-Q146 WeakPolarHBondContact O-CG 3.31Å; K142-Q146 PolarHBondContact O-N 2.95Å |
| 143 | L | 98.1 | Very high | 98.1 | Very high | 106 Ų | 106 | 101 Ų | 101 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -38.9 | 177.1 | -74.3 | 170.1 | 0 | 0 | 0 | 111.5 | D139 I141 Q146 V147 | D139-L143 WeakPolarHBondContact O-CB 3.27Å; D139-L143 WeakPolarHBondContact O-CG 3.48Å; D139-L143 PolarHBondContact O-N 3.09Å; I141-L143 PolarHBondContact O-N 2.93Å; L143-Q146 PolarHBondContact O-N 2.91Å; L143-V147 WeakPolarHBondContact O-CB 3.3Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.49Å; L143-V147 PolarHBondContact O-N 2.82Å |
| 144 | H | 98.4 | Very high | 98.1 | Very high | 120 Ų | 120 | 99 Ų | 99 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 175.4 | -172.2 | 66.4 | 0 | 0 | 0 | 112.1 | M140 I141 K142 Q146 V147 I148 | M140-H144 VanDerWaalsContact O-CB 3.31Å; M140-H144 WeakPolarHBondContact O-CB 3.35Å; M140-H144 PolarHBondContact O-N 3.25Å; I141-H144 WeakPolarHBondContact O-CB 3.33Å; I141-H144 PolarHBondContact O-N 3.32Å; I141-H144 VanDerWaalsContact O-N 3.14Å; K142-H144 VanDerWaalsContact C-N 3.33Å; H144-Q146 PolarHBondContact O-N 3.36Å; H144-V147 PolarHBondContact O-N 2.97Å; H144-I148 WeakPolarHBondContact O-CG1 3.36Å; H144-I148 PolarHBondContact O-N 2.93Å |
| 145 | E | 97.9 | Very high | 98.1 | Very high | 120 Ų | 120 | 98.2 Ų | 98.2 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 174.3 | -71.6 | 170.9 | -179.8 | 0 | 0 | 112 | I141 K142 I148 S149 | I141-E145 WeakPolarHBondContact CG2-OE1 3.43Å; I141-E145 WeakPolarHBondContact O-CG 3.41Å; I141-E145 PolarHBondContact O-N 2.92Å; K142-E145 PolarHBondContact O-N 3.39Å; E145-I148 PolarHBondContact O-N 3.4Å; E145-S149 WeakPolarHBondContact O-CB 3.46Å; E145-S149 PolarHBondContact O-N 3.49Å |
| 146 | Q | 98.2 | Very high | 98.1 | Very high | 117 Ų | 117 | 97.4 Ų | 97.4 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.1 | -74.1 | 176.4 | 0.1 | 0 | 0 | 112.3 | K142 L143 H144 S149 L150 | K142-Q146 WeakPolarHBondContact O-CG 3.31Å; K142-Q146 PolarHBondContact O-N 2.95Å; L143-Q146 PolarHBondContact O-N 2.91Å; H144-Q146 PolarHBondContact O-N 3.36Å; Q146-S149 PolarHBondContact O-N 2.91Å; Q146-L150 WeakPolarHBondContact O-CB 3.43Å; Q146-L150 WeakPolarHBondContact O-CG 3.32Å; Q146-L150 PolarHBondContact O-N 2.95Å |
| 147 | V | 98.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 98.4 Ų | 98.4 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 176.5 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | L143 H144 R151 | L143-V147 WeakPolarHBondContact O-CB 3.3Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.49Å; L143-V147 PolarHBondContact O-N 2.82Å; H144-V147 PolarHBondContact O-N 2.97Å; V147-R151 WeakPolarHBondContact O-CB 3.36Å; V147-R151 PolarHBondContact O-N 3.29Å |
| 148 | I | 98.2 | Very high | 98.2 | Very high | 67 Ų | 67 | 98.4 Ų | 98.4 | 34% | 0.344 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -50.4 | 173.5 | -69.7 | 166.1 | 0 | 0 | 0 | 110.3 | H144 E145 L150 R151 D152 | H144-I148 WeakPolarHBondContact O-CG1 3.36Å; H144-I148 PolarHBondContact O-N 2.93Å; E145-I148 PolarHBondContact O-N 3.4Å; I148-L150 VanDerWaalsContact C-N 3.35Å; I148-L150 PolarHBondContact O-N 3.45Å; I148-R151 WeakPolarHBondContact O-CB 3.39Å; I148-R151 PolarHBondContact O-N 2.89Å; I148-R151 VanDerWaalsContact O-N 3.11Å; I148-D152 PolarHBondContact O-N 3.04Å |
| 149 | S | 98 | Very high | 98.2 | Very high | 82 Ų | 82 | 96.5 Ų | 96.5 | 57% | 0.573 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.3 | -45.1 | -180 | -173 | 0 | 0 | 0 | 0 | 112.5 | E145 Q146 D152 L153 | E145-S149 WeakPolarHBondContact O-CB 3.46Å; E145-S149 PolarHBondContact O-N 3.49Å; Q146-S149 PolarHBondContact O-N 2.91Å; S149-D152 PolarHBondContact O-N 3.42Å; S149-L153 WeakPolarHBondContact O-CB 3.47Å; S149-L153 PolarHBondContact O-N 3.35Å |
| 150 | L | 98.3 | Very high | 98.2 | Very high | 114 Ų | 114 | 96.4 Ų | 96.4 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.4 | -37.9 | 176 | -71.9 | 172.6 | 0 | 0 | 0 | 112.5 | Q146 I148 L153 A154 | Q146-L150 WeakPolarHBondContact O-CB 3.43Å; Q146-L150 WeakPolarHBondContact O-CG 3.32Å; Q146-L150 PolarHBondContact O-N 2.95Å; I148-L150 VanDerWaalsContact C-N 3.35Å; I148-L150 PolarHBondContact O-N 3.45Å; L150-L153 PolarHBondContact O-N 2.94Å; L150-A154 WeakPolarHBondContact O-CB 3.4Å; L150-A154 PolarHBondContact O-N 3.11Å |
| 151 | R | 98.4 | Very high | 98.2 | Very high | 153 Ų | 153 | 94.9 Ų | 94.9 | 58% | 0.577 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 176.2 | -168.4 | -179.1 | 76.4 | 155.9 | 2.8 | 111.8 | V147 I148 A154 R155 | V147-R151 WeakPolarHBondContact O-CB 3.36Å; V147-R151 PolarHBondContact O-N 3.29Å; I148-R151 WeakPolarHBondContact O-CB 3.39Å; I148-R151 PolarHBondContact O-N 2.89Å; I148-R151 VanDerWaalsContact O-N 3.11Å; R151-A154 PolarHBondContact O-N 3.37Å; R151-R155 PolarHBondContact O-N 3.43Å |
| 152 | D | 97.9 | Very high | 98.2 | Very high | 54 Ų | 54 | 94 Ų | 94 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.6 | -34.3 | 179.1 | -65.6 | -21 | 0 | 0 | 0 | 111.5 | I148 S149 R155 N156 | I148-D152 PolarHBondContact O-N 3.04Å; S149-D152 PolarHBondContact O-N 3.42Å; D152-R155 PolarHBondContact O-N 3Å; D152-R155 IonicContact OD1-CZ 2.87Å; D152-R155 IonicContact OD1-NH1 3.42Å; D152-R155 PolarHBondContact OD1-NH1 3.48Å; D152-R155 IonicContact OD1-NH2 2.89Å; D152-N156 WeakPolarHBondContact O-CB 3.39Å; D152-N156 VanDerWaalsContact O-CG 3.29Å; D152-N156 PolarHBondContact O-N 2.84Å; D152-N156 PolarHBondContact O-ND2 3.22Å |
| 153 | L | 98.1 | Very high | 98.2 | Very high | 85 Ų | 85 | 96.5 Ų | 96.5 | 45% | 0.445 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 169 | -178.3 | 61.1 | 0 | 0 | 0 | 112 | S149 L150 N156 H157 | S149-L153 WeakPolarHBondContact O-CB 3.47Å; S149-L153 PolarHBondContact O-N 3.35Å; L150-L153 PolarHBondContact O-N 2.94Å; L153-N156 WeakPolarHBondContact O-CB 3.42Å; L153-N156 PolarHBondContact O-N 3.12Å; L153-H157 WeakPolarHBondContact CD1-NE2 3.46Å; L153-H157 PolarHBondContact O-CD2 3.49Å; L153-H157 PolarHBondContact O-N 2.97Å |
| 154 | A | 98.3 | Very high | 98.2 | Very high | 57 Ų | 57 | 97.9 Ų | 97.9 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L150 R151 N156 H157 E158 | L150-A154 WeakPolarHBondContact O-CB 3.4Å; L150-A154 PolarHBondContact O-N 3.11Å; R151-A154 PolarHBondContact O-N 3.37Å; A154-N156 VanDerWaalsContact C-N 3.3Å; A154-N156 PolarHBondContact O-N 2.95Å; A154-H157 PolarHBondContact O-N 3.38Å; A154-H157 VanDerWaalsContact O-N 3.12Å; A154-E158 PolarHBondContact O-N 2.99Å |
| 155 | R | 98.2 | Very high | 98.3 | Very high | 123 Ų | 123 | 97.6 Ų | 97.6 | 46% | 0.464 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 175 | -165.7 | -173.5 | -61.2 | 116.5 | 7.2 | 112.3 | R151 D152 E158 G159 | R151-R155 PolarHBondContact O-N 3.43Å; D152-R155 PolarHBondContact O-N 3Å; D152-R155 IonicContact OD1-CZ 2.87Å; D152-R155 IonicContact OD1-NH1 3.42Å; D152-R155 PolarHBondContact OD1-NH1 3.48Å; D152-R155 IonicContact OD1-NH2 2.89Å; R155-E158 PolarHBondContact O-N 3.45Å; R155-G159 PolarHBondContact O-N 3Å |
| 156 | N | 98 | Very high | 98.3 | Very high | 108 Ų | 108 | 96.9 Ų | 96.9 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.9 | -35.3 | 175.4 | -77.9 | -41.4 | 0 | 0 | 0 | 112.9 | D152 L153 A154 T160 | D152-N156 WeakPolarHBondContact O-CB 3.39Å; D152-N156 VanDerWaalsContact O-CG 3.29Å; D152-N156 PolarHBondContact O-N 2.84Å; D152-N156 PolarHBondContact O-ND2 3.22Å; L153-N156 WeakPolarHBondContact O-CB 3.42Å; L153-N156 PolarHBondContact O-N 3.12Å; A154-N156 VanDerWaalsContact C-N 3.3Å; A154-N156 PolarHBondContact O-N 2.95Å; N156-T160 WeakPolarHBondContact O-CB 3.41Å; N156-T160 PolarHBondContact O-N 2.98Å; N156-T160 VanDerWaalsContact O-N 3.14Å; N156-T160 PolarHBondContact O-OG1 3.17Å |
| 157 | H | 98.5 | Very high | 98.3 | Very high | 108 Ų | 108 | 97 Ų | 97 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.3 | -44.9 | 173.5 | -73 | -41.9 | 0 | 0 | 0 | 112 | L153 A154 G159 T160 I161 | L153-H157 WeakPolarHBondContact CD1-NE2 3.46Å; L153-H157 PolarHBondContact O-CD2 3.49Å; L153-H157 PolarHBondContact O-N 2.97Å; A154-H157 PolarHBondContact O-N 3.38Å; A154-H157 VanDerWaalsContact O-N 3.12Å; H157-G159 PolarHBondContact O-N 3.45Å; H157-T160 CarbonylContact O-C 3.57Å; H157-T160 WeakPolarHBondContact O-CA 3.38Å; H157-T160 WeakPolarHBondContact O-CB 3.47Å; H157-T160 PolarHBondContact O-N 2.68Å; H157-I161 WeakPolarHBondContact O-CG1 3.43Å; H157-I161 PolarHBondContact O-N 2.9Å |
| 158 | E | 98.3 | Very high | 98.3 | Very high | 137 Ų | 137 | 97.5 Ų | 97.5 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -54.7 | -51.8 | 173.6 | -176.1 | -179.6 | -166.7 | 0 | 0 | 111.5 | A154 R155 T160 I161 A162 | A154-E158 PolarHBondContact O-N 2.99Å; R155-E158 PolarHBondContact O-N 3.45Å; E158-T160 PolarHBondContact O-N 2.76Å; E158-I161 PolarHBondContact O-N 2.96Å; E158-A162 PolarHBondContact O-N 3.07Å |
| 159 | G | 98.3 | Very high | 98.3 | Very high | 28 Ų | 28 | 97.5 Ų | 97.5 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -23.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R155 H157 R163 | R155-G159 PolarHBondContact O-N 3Å; H157-G159 PolarHBondContact O-N 3.45Å; G159-R163 WeakPolarHBondContact O-CG 3.4Å; G159-R163 PolarHBondContact O-N 3.2Å; G159-R163 PolarHBondContact O-NE 3.47Å; G159-R163 PolarHBondContact O-NH1 3.2Å |
| 160 | T | 98.2 | Very high | 98.3 | Very high | 49 Ų | 49 | 97.1 Ų | 97.1 | 30% | 0.301 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -80.8 | -34.5 | 173.4 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | N156 H157 E158 R163 K164 | N156-T160 WeakPolarHBondContact O-CB 3.41Å; N156-T160 PolarHBondContact O-N 2.98Å; N156-T160 VanDerWaalsContact O-N 3.14Å; N156-T160 PolarHBondContact O-OG1 3.17Å; H157-T160 CarbonylContact O-C 3.57Å; H157-T160 WeakPolarHBondContact O-CA 3.38Å; H157-T160 WeakPolarHBondContact O-CB 3.47Å; H157-T160 PolarHBondContact O-N 2.68Å; E158-T160 PolarHBondContact O-N 2.76Å; T160-R163 PolarHBondContact OG1-NH2 3.43Å; T160-K164 WeakPolarHBondContact O-CG 3.42Å; T160-K164 PolarHBondContact O-N 3.14Å |
| 161 | I | 98.3 | Very high | 98.3 | Very high | 91 Ų | 91 | 96.3 Ų | 96.3 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -51.2 | 173.8 | -69.8 | 163.9 | 0 | 0 | 0 | 109.3 | H157 E158 R163 K164 E165 | H157-I161 WeakPolarHBondContact O-CG1 3.43Å; H157-I161 PolarHBondContact O-N 2.9Å; E158-I161 PolarHBondContact O-N 2.96Å; I161-R163 VanDerWaalsContact C-N 3.29Å; I161-R163 PolarHBondContact O-N 2.86Å; I161-K164 CarbonylContact O-C 3.53Å; I161-K164 WeakPolarHBondContact O-CA 3.41Å; I161-K164 WeakPolarHBondContact O-CB 3.48Å; I161-K164 PolarHBondContact O-N 2.9Å; I161-E165 HydrophobicContact CG2-CG 4.21Å; I161-E165 WeakPolarHBondContact O-CG 3.42Å; I161-E165 PolarHBondContact O-N 3.21Å |
| 162 | A | 98.3 | Very high | 98.3 | Very high | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -54.9 | -40.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E158 E165 Q166 | E158-A162 PolarHBondContact O-N 3.07Å; A162-E165 PolarHBondContact O-N 2.9Å; A162-Q166 PolarHBondContact O-N 3.41Å |
| 163 | R | 98.3 | Very high | 98.3 | Very high | 162 Ų | 162 | 93.6 Ų | 93.6 | 61% | 0.611 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.5 | -36.2 | 174 | -75 | -173.5 | -63.7 | -94.2 | 1.4 | 113.4 | G159 T160 I161 M167 | G159-R163 WeakPolarHBondContact O-CG 3.4Å; G159-R163 PolarHBondContact O-N 3.2Å; G159-R163 PolarHBondContact O-NE 3.47Å; G159-R163 PolarHBondContact O-NH1 3.2Å; T160-R163 PolarHBondContact OG1-NH2 3.43Å; I161-R163 VanDerWaalsContact C-N 3.29Å; I161-R163 PolarHBondContact O-N 2.86Å; R163-M167 PolarHBondContact O-N 3.4Å; R163-M167 VanDerWaalsContact O-N 3.16Å |
| 164 | K | 98.6 | Very high | 98.4 | Very high | 135 Ų | 135 | 93.3 Ų | 93.3 | 59% | 0.587 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.5 | -40 | 176.3 | -74.4 | 175.8 | 176.8 | -177.2 | 0 | 111.5 | T160 I161 M167 I168 | T160-K164 WeakPolarHBondContact O-CG 3.42Å; T160-K164 PolarHBondContact O-N 3.14Å; I161-K164 CarbonylContact O-C 3.53Å; I161-K164 WeakPolarHBondContact O-CA 3.41Å; I161-K164 WeakPolarHBondContact O-CB 3.48Å; I161-K164 PolarHBondContact O-N 2.9Å; K164-M167 PolarHBondContact O-N 3.16Å; K164-I168 VanDerWaalsContact O-CG1 3.3Å; K164-I168 WeakPolarHBondContact O-CG1 3.33Å; K164-I168 PolarHBondContact O-N 2.7Å |
| 165 | E | 98.7 | Very high | 98.4 | Very high | 113 Ų | 113 | 95.9 Ų | 95.9 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.2 | -70 | 173.5 | 156.7 | 0 | 0 | 111.3 | I161 A162 M167 I168 C169 | I161-E165 HydrophobicContact CG2-CG 4.21Å; I161-E165 WeakPolarHBondContact O-CG 3.42Å; I161-E165 PolarHBondContact O-N 3.21Å; A162-E165 PolarHBondContact O-N 2.9Å; E165-M167 VanDerWaalsContact C-N 3.33Å; E165-M167 PolarHBondContact O-N 3Å; E165-I168 WeakPolarHBondContact O-CB 3.48Å; E165-I168 PolarHBondContact O-N 2.88Å; E165-I168 VanDerWaalsContact O-N 3.12Å; E165-C169 PolarHBondContact O-N 3.36Å; E165-C169 PolarHBondContact O-SG 3.12Å |
| 166 | Q | 98.3 | Very high | 98.4 | Very high | 106 Ų | 106 | 93.7 Ų | 93.7 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.5 | -45.4 | 173.2 | -177.5 | 56.3 | 47.3 | 0 | 0 | 111.8 | A162 I168 C169 D170 | A162-Q166 PolarHBondContact O-N 3.41Å; Q166-I168 VanDerWaalsContact C-N 3.33Å; Q166-I168 PolarHBondContact O-N 3.43Å; Q166-C169 WeakPolarHBondContact O-CB 3.3Å; Q166-C169 PolarHBondContact O-N 3.12Å; Q166-D170 VanDerWaalsContact NE2-CG 3.29Å; Q166-D170 PolarHBondContact NE2-OD1 2.91Å; Q166-D170 PolarHBondContact NE2-OD2 3.41Å; Q166-D170 PolarHBondContact O-N 3.27Å |
| 167 | M | 98.5 | Very high | 98.4 | Very high | 119 Ų | 119 | 94.8 Ų | 94.8 | 59% | 0.586 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.7 | -38.4 | 175.6 | -175.6 | -178.6 | -69.2 | 0 | 0 | 112.6 | R163 K164 E165 D170 L171 | R163-M167 PolarHBondContact O-N 3.4Å; R163-M167 VanDerWaalsContact O-N 3.16Å; K164-M167 PolarHBondContact O-N 3.16Å; E165-M167 VanDerWaalsContact C-N 3.33Å; E165-M167 PolarHBondContact O-N 3Å; M167-D170 PolarHBondContact O-N 3.46Å; M167-L171 HydrophobicContact CG-CD1 3.96Å; M167-L171 HydrophobicContact CG-CG 4.35Å; M167-L171 WeakPolarHBondContact O-CB 3.25Å; M167-L171 VanDerWaalsContact O-CG 3.25Å; M167-L171 WeakPolarHBondContact O-CG 3.35Å; M167-L171 PolarHBondContact O-N 2.91Å |
| 168 | I | 98.4 | Very high | 98.3 | Very high | 105 Ų | 105 | 95.6 Ų | 95.6 | 54% | 0.538 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 175.1 | -70.7 | 163.2 | 0 | 0 | 0 | 110.5 | K164 E165 Q166 T172 | K164-I168 VanDerWaalsContact O-CG1 3.3Å; K164-I168 WeakPolarHBondContact O-CG1 3.33Å; K164-I168 PolarHBondContact O-N 2.7Å; E165-I168 WeakPolarHBondContact O-CB 3.48Å; E165-I168 PolarHBondContact O-N 2.88Å; E165-I168 VanDerWaalsContact O-N 3.12Å; Q166-I168 VanDerWaalsContact C-N 3.33Å; Q166-I168 PolarHBondContact O-N 3.43Å; I168-T172 VanDerWaalsContact O-CB 3.23Å; I168-T172 WeakPolarHBondContact O-CB 3.23Å; I168-T172 PolarHBondContact O-N 2.9Å; I168-T172 PolarHBondContact O-OG1 2.89Å |
| 169 | C | 98.4 | Very high | 98.3 | Very high | 66 Ų | 66 | 95 Ų | 95 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 174.2 | -71.6 | 0 | 0 | 0 | 0 | 111.7 | E165 Q166 T172 N173 | E165-C169 PolarHBondContact O-N 3.36Å; E165-C169 PolarHBondContact O-SG 3.12Å; Q166-C169 WeakPolarHBondContact O-CB 3.3Å; Q166-C169 PolarHBondContact O-N 3.12Å; C169-T172 PolarHBondContact O-N 3.49Å; C169-N173 WeakPolarHBondContact O-CB 3.37Å; C169-N173 VanDerWaalsContact O-CG 3.24Å; C169-N173 PolarHBondContact O-N 3.44Å; C169-N173 PolarHBondContact O-ND2 3.27Å; C169-N173 VanDerWaalsContact O-ND2 3.14Å |
| 170 | D | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 98.2 Ų | 98.2 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | -179.8 | -68.7 | -31.3 | 0 | 0 | 0 | 112.5 | Q166 M167 N173 N174 | Q166-D170 VanDerWaalsContact NE2-CG 3.29Å; Q166-D170 PolarHBondContact NE2-OD1 2.91Å; Q166-D170 PolarHBondContact NE2-OD2 3.41Å; Q166-D170 PolarHBondContact O-N 3.27Å; M167-D170 PolarHBondContact O-N 3.46Å; D170-N173 PolarHBondContact O-N 3.35Å; D170-N174 WeakPolarHBondContact O-CB 3.49Å; D170-N174 VanDerWaalsContact O-CG 3.24Å; D170-N174 PolarHBondContact O-N 3.27Å; D170-N174 PolarHBondContact O-ND2 3.35Å |
| 171 | L | 98.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 101 Ų | 101 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 174.6 | -71.4 | 173 | 0 | 0 | 0 | 111.7 | M167 N174 I175 | M167-L171 HydrophobicContact CG-CD1 3.96Å; M167-L171 HydrophobicContact CG-CG 4.35Å; M167-L171 WeakPolarHBondContact O-CB 3.25Å; M167-L171 VanDerWaalsContact O-CG 3.25Å; M167-L171 WeakPolarHBondContact O-CG 3.35Å; M167-L171 PolarHBondContact O-N 2.91Å; L171-N174 PolarHBondContact O-N 3.21Å; L171-I175 WeakPolarHBondContact O-CG1 3.24Å; L171-I175 PolarHBondContact O-N 3.02Å |
| 172 | T | 98.4 | Very high | 98.2 | Very high | 66 Ų | 66 | 103.4 Ų | 103.4 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 176.3 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | I168 C169 N174 I175 N176 | I168-T172 VanDerWaalsContact O-CB 3.23Å; I168-T172 WeakPolarHBondContact O-CB 3.23Å; I168-T172 PolarHBondContact O-N 2.9Å; I168-T172 PolarHBondContact O-OG1 2.89Å; C169-T172 PolarHBondContact O-N 3.49Å; T172-N174 VanDerWaalsContact C-N 3.32Å; T172-N174 PolarHBondContact O-N 3.49Å; T172-I175 PolarHBondContact O-N 2.96Å; T172-N176 WeakPolarHBondContact O-CB 3.42Å; T172-N176 PolarHBondContact O-N 3.2Å; T172-N176 PolarHBondContact O-ND2 3.41Å |
| 173 | N | 98.3 | Very high | 98.1 | Very high | 85 Ų | 85 | 104.9 Ų | 104.9 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 174.3 | -75.8 | -32.8 | 0 | 0 | 0 | 112.1 | C169 D170 N176 K177 | C169-N173 WeakPolarHBondContact O-CB 3.37Å; C169-N173 VanDerWaalsContact O-CG 3.24Å; C169-N173 PolarHBondContact O-N 3.44Å; C169-N173 PolarHBondContact O-ND2 3.27Å; C169-N173 VanDerWaalsContact O-ND2 3.14Å; D170-N173 PolarHBondContact O-N 3.35Å; N173-N176 PolarHBondContact O-N 2.87Å; N173-K177 VanDerWaalsContact O-CG 3.3Å; N173-K177 WeakPolarHBondContact O-CG 3.37Å; N173-K177 PolarHBondContact O-N 3.14Å |
| 174 | N | 98.4 | Very high | 98.1 | Very high | 78 Ų | 78 | 101.1 Ų | 101.1 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.2 | -39.9 | 176.7 | -70.6 | -25.8 | 0 | 0 | 0 | 112.7 | D170 L171 T172 N176 K177 L178 | D170-N174 WeakPolarHBondContact O-CB 3.49Å; D170-N174 VanDerWaalsContact O-CG 3.24Å; D170-N174 PolarHBondContact O-N 3.27Å; D170-N174 PolarHBondContact O-ND2 3.35Å; L171-N174 PolarHBondContact O-N 3.21Å; T172-N174 VanDerWaalsContact C-N 3.32Å; T172-N174 PolarHBondContact O-N 3.49Å; N174-N176 VanDerWaalsContact C-N 3.34Å; N174-N176 PolarHBondContact O-N 2.96Å; N174-K177 PolarHBondContact O-N 3.05Å; N174-L178 WeakPolarHBondContact O-CG 3.47Å; N174-L178 PolarHBondContact O-N 3.23Å |
| 175 | I | 98.5 | Very high | 98 | Very high | 112 Ų | 112 | 98.6 Ų | 98.6 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.1 | -44.7 | 172.6 | -70.6 | 164.9 | 0 | 0 | 0 | 110.6 | L171 T172 K177 L178 K179 | L171-I175 WeakPolarHBondContact O-CG1 3.24Å; L171-I175 PolarHBondContact O-N 3.02Å; T172-I175 PolarHBondContact O-N 2.96Å; I175-K177 PolarHBondContact O-N 3.14Å; I175-L178 PolarHBondContact O-N 3.43Å; I175-K179 WeakPolarHBondContact O-CB 3.49Å; I175-K179 PolarHBondContact O-N 3.5Å |
| 176 | N | 98 | Very high | 97.8 | Very high | 77 Ų | 77 | 98.1 Ų | 98.1 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 176.9 | -76.6 | -34.6 | 0 | 0 | 0 | 112.4 | T172 N173 N174 K179 I180 | T172-N176 WeakPolarHBondContact O-CB 3.42Å; T172-N176 PolarHBondContact O-N 3.2Å; T172-N176 PolarHBondContact O-ND2 3.41Å; N173-N176 PolarHBondContact O-N 2.87Å; N174-N176 VanDerWaalsContact C-N 3.34Å; N174-N176 PolarHBondContact O-N 2.96Å; N176-K179 PolarHBondContact O-N 3.26Å; N176-I180 WeakPolarHBondContact O-CG1 3.45Å; N176-I180 PolarHBondContact O-N 3.3Å; N176-I180 VanDerWaalsContact O-N 3.08Å |
| 177 | K | 98 | Very high | 97.7 | Very high | 131 Ų | 131 | 99.6 Ų | 99.6 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.9 | -46.6 | 172.6 | -72.5 | 166.9 | -173.7 | 169.4 | 0 | 111.7 | N173 N174 I175 I180 Q181 | N173-K177 VanDerWaalsContact O-CG 3.3Å; N173-K177 WeakPolarHBondContact O-CG 3.37Å; N173-K177 PolarHBondContact O-N 3.14Å; N174-K177 PolarHBondContact O-N 3.05Å; I175-K177 PolarHBondContact O-N 3.14Å; K177-I180 PolarHBondContact O-N 3.44Å; K177-Q181 WeakPolarHBondContact O-CG 3.49Å; K177-Q181 PolarHBondContact O-N 3.31Å |
| 178 | L | 97.9 | Very high | 97.6 | Very high | 125 Ų | 125 | 99.7 Ų | 99.7 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -41.4 | 178.8 | -72.1 | 172.6 | 0 | 0 | 0 | 112.2 | N174 I175 I180 Q181 M182 | N174-L178 WeakPolarHBondContact O-CG 3.47Å; N174-L178 PolarHBondContact O-N 3.23Å; I175-L178 PolarHBondContact O-N 3.43Å; L178-I180 PolarHBondContact O-N 2.88Å; L178-Q181 PolarHBondContact O-N 2.89Å; L178-M182 WeakPolarHBondContact O-CB 3.34Å; L178-M182 PolarHBondContact O-N 3.29Å |
| 179 | K | 98.2 | Very high | 97.4 | Very high | 123 Ų | 123 | 98.1 Ų | 98.1 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.4 | -49.3 | 174.1 | -179.2 | -176.7 | 173.9 | -175.1 | 0 | 111.6 | I175 N176 Q181 M182 E183 | I175-K179 WeakPolarHBondContact O-CB 3.49Å; I175-K179 PolarHBondContact O-N 3.5Å; N176-K179 PolarHBondContact O-N 3.26Å; K179-Q181 VanDerWaalsContact C-N 3.34Å; K179-Q181 PolarHBondContact O-N 2.94Å; K179-M182 WeakPolarHBondContact O-CB 3.38Å; K179-M182 PolarHBondContact O-N 2.97Å; K179-E183 VanDerWaalsContact CE-OE1 3.24Å; K179-E183 WeakPolarHBondContact CE-OE1 3.49Å; K179-E183 WeakPolarHBondContact O-CG 3.47Å; K179-E183 PolarHBondContact O-N 3.49Å |
| 180 | I | 97.8 | Very high | 97.3 | Very high | 96 Ų | 96 | 97.8 Ų | 97.8 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 178.5 | -67.2 | 165.2 | 0 | 0 | 0 | 111 | N176 K177 L178 M182 E183 I184 | N176-I180 WeakPolarHBondContact O-CG1 3.45Å; N176-I180 PolarHBondContact O-N 3.3Å; N176-I180 VanDerWaalsContact O-N 3.08Å; K177-I180 PolarHBondContact O-N 3.44Å; L178-I180 PolarHBondContact O-N 2.88Å; I180-M182 PolarHBondContact O-N 3.03Å; I180-E183 PolarHBondContact O-N 3.36Å; I180-I184 HydrophobicContact CG2-CD1 3.87Å; I180-I184 VanDerWaalsContact O-CG1 3.31Å; I180-I184 WeakPolarHBondContact O-CG1 3.27Å; I180-I184 PolarHBondContact O-N 3.5Å |
| 181 | Q | 97.4 | Very high | 97.1 | Very high | 108 Ų | 108 | 96.9 Ų | 96.9 | 51% | 0.505 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.4 | -70.8 | -65.5 | -20.9 | 0 | 0 | 112.3 | K177 L178 K179 I184 N185 | K177-Q181 WeakPolarHBondContact O-CG 3.49Å; K177-Q181 PolarHBondContact O-N 3.31Å; L178-Q181 PolarHBondContact O-N 2.89Å; K179-Q181 VanDerWaalsContact C-N 3.34Å; K179-Q181 PolarHBondContact O-N 2.94Å; Q181-I184 PolarHBondContact O-N 3.02Å; Q181-N185 WeakPolarHBondContact O-CB 3.3Å; Q181-N185 VanDerWaalsContact O-CG 3.29Å; Q181-N185 PolarHBondContact O-N 3.08Å; Q181-N185 PolarHBondContact O-ND2 3.44Å |
| 182 | M | 96.8 | Very high | 97 | Very high | 142 Ų | 142 | 97.5 Ų | 97.5 | 70% | 0.7 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 175.5 | -173.7 | -179.3 | 179.9 | 0 | 0 | 111.9 | L178 K179 I180 N185 L186 | L178-M182 WeakPolarHBondContact O-CB 3.34Å; L178-M182 PolarHBondContact O-N 3.29Å; K179-M182 WeakPolarHBondContact O-CB 3.38Å; K179-M182 PolarHBondContact O-N 2.97Å; I180-M182 PolarHBondContact O-N 3.03Å; M182-N185 PolarHBondContact O-N 2.89Å; M182-L186 WeakPolarHBondContact O-CB 3.42Å; M182-L186 PolarHBondContact O-N 2.91Å |
| 183 | E | 97.2 | Very high | 96.7 | Very high | 82 Ų | 82 | 101.4 Ų | 101.4 | 38% | 0.383 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 176 | -72.3 | -179.9 | -156.1 | 0 | 0 | 112.7 | K179 I180 K187 | K179-E183 VanDerWaalsContact CE-OE1 3.24Å; K179-E183 WeakPolarHBondContact CE-OE1 3.49Å; K179-E183 WeakPolarHBondContact O-CG 3.47Å; K179-E183 PolarHBondContact O-N 3.49Å; I180-E183 PolarHBondContact O-N 3.36Å; E183-K187 WeakPolarHBondContact O-CB 3.36Å; E183-K187 WeakPolarHBondContact O-CD 3.48Å; E183-K187 VanDerWaalsContact O-CG 3.27Å; E183-K187 WeakPolarHBondContact O-CG 3.29Å; E183-K187 PolarHBondContact O-N 3.36Å |
| 184 | I | 97.3 | Very high | 96.5 | Very high | 83 Ų | 83 | 105 Ų | 105 | 43% | 0.426 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 174.8 | -69.8 | 166.8 | 0 | 0 | 0 | 110.5 | I180 Q181 K187 K188 | I180-I184 HydrophobicContact CG2-CD1 3.87Å; I180-I184 VanDerWaalsContact O-CG1 3.31Å; I180-I184 WeakPolarHBondContact O-CG1 3.27Å; I180-I184 PolarHBondContact O-N 3.5Å; Q181-I184 PolarHBondContact O-N 3.02Å; I184-K187 PolarHBondContact O-N 3.08Å; I184-K188 WeakPolarHBondContact O-CB 3.33Å; I184-K188 PolarHBondContact O-N 2.98Å |
| 185 | N | 96.4 | Very high | 96.4 | Very high | 82 Ų | 82 | 106.2 Ų | 106.2 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 177.9 | -73.8 | -22.4 | 0 | 0 | 0 | 111.5 | Q181 M182 K187 K188 E189 | Q181-N185 WeakPolarHBondContact O-CB 3.3Å; Q181-N185 VanDerWaalsContact O-CG 3.29Å; Q181-N185 PolarHBondContact O-N 3.08Å; Q181-N185 PolarHBondContact O-ND2 3.44Å; M182-N185 PolarHBondContact O-N 2.89Å; N185-K187 VanDerWaalsContact C-N 3.33Å; N185-K187 PolarHBondContact O-N 3.22Å; N185-K188 WeakPolarHBondContact O-CB 3.31Å; N185-K188 PolarHBondContact O-N 3.37Å; N185-K188 VanDerWaalsContact O-N 3.14Å; N185-E189 WeakPolarHBondContact O-CG 3.39Å; N185-E189 PolarHBondContact O-N 3.34Å |
| 186 | L | 95.8 | Very high | 96.1 | Very high | 103 Ų | 103 | 104 Ų | 104 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 175.4 | -178.6 | 61.4 | 0 | 0 | 0 | 112.3 | M182 N190 | M182-L186 WeakPolarHBondContact O-CB 3.42Å; M182-L186 PolarHBondContact O-N 2.91Å; L186-N190 VanDerWaalsContact O-CB 3.29Å; L186-N190 WeakPolarHBondContact O-CB 3.35Å; L186-N190 PolarHBondContact O-N 3.02Å; L186-N190 PolarHBondContact O-ND2 3.42Å; L186-N190 VanDerWaalsContact O-ND2 3.08Å |
| 187 | K | 96.1 | Very high | 95.9 | Very high | 138 Ų | 138 | 103.7 Ų | 103.7 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 174 | -74.4 | 165.5 | -176.5 | 163.4 | 0 | 111.5 | E183 I184 N185 A191 | E183-K187 WeakPolarHBondContact O-CB 3.36Å; E183-K187 WeakPolarHBondContact O-CD 3.48Å; E183-K187 VanDerWaalsContact O-CG 3.27Å; E183-K187 WeakPolarHBondContact O-CG 3.29Å; E183-K187 PolarHBondContact O-N 3.36Å; I184-K187 PolarHBondContact O-N 3.08Å; N185-K187 VanDerWaalsContact C-N 3.33Å; N185-K187 PolarHBondContact O-N 3.22Å; K187-A191 WeakPolarHBondContact O-CB 3.4Å; K187-A191 PolarHBondContact O-N 3.31Å |
| 188 | K | 96 | Very high | 95.7 | Very high | 121 Ų | 121 | 99.8 Ų | 99.8 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 177.2 | -173.5 | -176.8 | -178.7 | -176.7 | 0 | 112.3 | I184 N185 A191 K192 | I184-K188 WeakPolarHBondContact O-CB 3.33Å; I184-K188 PolarHBondContact O-N 2.98Å; N185-K188 WeakPolarHBondContact O-CB 3.31Å; N185-K188 PolarHBondContact O-N 3.37Å; N185-K188 VanDerWaalsContact O-N 3.14Å; K188-A191 WeakPolarHBondContact O-CB 3.49Å; K188-A191 PolarHBondContact O-N 3.01Å; K188-K192 PolarHBondContact O-N 2.79Å |
| 189 | E | 94.1 | Very high | 95.6 | Very high | 71 Ų | 71 | 100.2 Ų | 100.2 | 33% | 0.332 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 178.1 | -63.2 | -42 | 118.1 | 0 | 0 | 112.3 | N185 A191 K192 R193 | N185-E189 WeakPolarHBondContact O-CG 3.39Å; N185-E189 PolarHBondContact O-N 3.34Å; E189-A191 VanDerWaalsContact C-N 3.32Å; E189-A191 PolarHBondContact O-N 3.13Å; E189-K192 PolarHBondContact O-N 3.04Å; E189-K192 WeakPolarHBondContact OE1-CD 3.42Å; E189-K192 WeakPolarHBondContact OE1-CE 3.42Å; E189-K192 IonicContact OE1-NZ 2.71Å; E189-K192 PolarHBondContact OE1-NZ 3.33Å; E189-K192 WeakPolarHBondContact OE2-CD 3.33Å; E189-K192 IonicContact OE2-NZ 2.69Å; E189-K192 PolarHBondContact OE2-NZ 3.42Å; E189-R193 WeakPolarHBondContact O-CB 3.41Å; E189-R193 PolarHBondContact O-N 3.26Å |
| 190 | N | 95.5 | Very high | 95.4 | Very high | 60 Ų | 60 | 95 Ų | 95 | 32% | 0.321 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 172.1 | -77.7 | -37.7 | 0 | 0 | 0 | 112.6 | L186 R193 K194 | L186-N190 VanDerWaalsContact O-CB 3.29Å; L186-N190 WeakPolarHBondContact O-CB 3.35Å; L186-N190 PolarHBondContact O-N 3.02Å; L186-N190 PolarHBondContact O-ND2 3.42Å; L186-N190 VanDerWaalsContact O-ND2 3.08Å; N190-R193 PolarHBondContact OD1-NH1 3.14Å; N190-K194 WeakPolarHBondContact O-CB 3.27Å; N190-K194 WeakPolarHBondContact O-CG 3.32Å; N190-K194 PolarHBondContact O-N 2.99Å |
| 191 | A | 95.3 | Very high | 95.3 | Very high | 54 Ų | 54 | 94.8 Ų | 94.8 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.2 | -47.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K187 K188 E189 R193 K194 V195 | K187-A191 WeakPolarHBondContact O-CB 3.4Å; K187-A191 PolarHBondContact O-N 3.31Å; K188-A191 WeakPolarHBondContact O-CB 3.49Å; K188-A191 PolarHBondContact O-N 3.01Å; E189-A191 VanDerWaalsContact C-N 3.32Å; E189-A191 PolarHBondContact O-N 3.13Å; A191-R193 PolarHBondContact O-N 2.69Å; A191-K194 PolarHBondContact O-N 3.39Å; A191-V195 WeakPolarHBondContact O-CG2 3.49Å; A191-V195 PolarHBondContact O-N 3.01Å |
| 192 | K | 94.9 | Very high | 95.2 | Very high | 110 Ų | 110 | 95.7 Ų | 95.7 | 48% | 0.478 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55 | -48 | 172.5 | -76.8 | 165 | 161.1 | -175.5 | 0 | 111.8 | K188 E189 K194 V195 S196 | K188-K192 PolarHBondContact O-N 2.79Å; E189-K192 PolarHBondContact O-N 3.04Å; E189-K192 WeakPolarHBondContact OE1-CD 3.42Å; E189-K192 WeakPolarHBondContact OE1-CE 3.42Å; E189-K192 IonicContact OE1-NZ 2.71Å; E189-K192 PolarHBondContact OE1-NZ 3.33Å; E189-K192 WeakPolarHBondContact OE2-CD 3.33Å; E189-K192 IonicContact OE2-NZ 2.69Å; E189-K192 PolarHBondContact OE2-NZ 3.42Å; K192-K194 PolarHBondContact O-N 2.88Å; K192-V195 PolarHBondContact O-N 3.44Å; K192-S196 PolarHBondContact O-N 3.38Å |
| 193 | R | 93.3 | Very high | 95.2 | Very high | 149 Ų | 149 | 93.4 Ų | 93.4 | 56% | 0.562 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.8 | -44.7 | 178.9 | -172 | -179 | -71 | 134.9 | -6.6 | 111.6 | E189 N190 A191 V195 S196 I197 | E189-R193 WeakPolarHBondContact O-CB 3.41Å; E189-R193 PolarHBondContact O-N 3.26Å; N190-R193 PolarHBondContact OD1-NH1 3.14Å; A191-R193 PolarHBondContact O-N 2.69Å; R193-V195 PolarHBondContact O-N 2.96Å; R193-S196 PolarHBondContact O-N 2.86Å; R193-I197 HydrophobicContact CG-CD1 3.9Å; R193-I197 VanDerWaalsContact O-CG1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.05Å; R193-I197 PolarHBondContact O-N 3.1Å |
| 194 | K | 94.8 | Very high | 95.1 | Very high | 159 Ų | 159 | 90.1 Ų | 90.1 | 69% | 0.691 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.8 | -41.9 | 174.6 | -76.3 | 178.2 | 178.7 | -173.9 | 0 | 112.7 | N190 A191 K192 S198 | N190-K194 WeakPolarHBondContact O-CB 3.27Å; N190-K194 WeakPolarHBondContact O-CG 3.32Å; N190-K194 PolarHBondContact O-N 2.99Å; A191-K194 PolarHBondContact O-N 3.39Å; K192-K194 PolarHBondContact O-N 2.88Å; K194-S198 WeakPolarHBondContact O-CB 3.45Å; K194-S198 PolarHBondContact O-N 2.83Å |
| 195 | V | 94.6 | Very high | 95.1 | Very high | 104 Ų | 104 | 89 Ų | 89 | 63% | 0.63 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.6 | -44.9 | 175.9 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | A191 K192 R193 S198 F199 | A191-V195 WeakPolarHBondContact O-CG2 3.49Å; A191-V195 PolarHBondContact O-N 3.01Å; K192-V195 PolarHBondContact O-N 3.44Å; R193-V195 PolarHBondContact O-N 2.96Å; V195-S198 PolarHBondContact O-N 3.26Å; V195-F199 PolarHBondContact O-N 3.04Å |
| 196 | S | 92.5 | Very high | 95 | Very high | 65 Ų | 65 | 93.7 Ų | 93.7 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 112 | K192 R193 S198 F199 C200 | K192-S196 PolarHBondContact O-N 3.38Å; R193-S196 PolarHBondContact O-N 2.86Å; S196-S198 PolarHBondContact O-N 2.91Å; S196-F199 WeakPolarHBondContact O-CB 3.2Å; S196-F199 PolarHBondContact O-N 3.45Å; S196-F199 VanDerWaalsContact O-N 3.15Å; S196-C200 PolarHBondContact O-N 3.01Å; S196-C200 PolarHBondContact O-SG 3.2Å |
| 197 | I | 94 | Very high | 95 | Very high | 71 Ų | 71 | 95.6 Ų | 95.6 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 176.4 | -68.1 | 166.5 | 0 | 0 | 0 | 110.8 | R193 F199 C200 I201 | R193-I197 HydrophobicContact CG-CD1 3.9Å; R193-I197 VanDerWaalsContact O-CG1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.05Å; R193-I197 PolarHBondContact O-N 3.1Å; I197-F199 VanDerWaalsContact C-N 3.3Å; I197-F199 PolarHBondContact O-N 3.19Å; I197-C200 PolarHBondContact O-N 3.22Å; I197-I201 HydrophobicContact CG2-CD1 3.75Å; I197-I201 HydrophobicContact CG2-CG1 4.41Å; I197-I201 WeakPolarHBondContact O-CG1 3.47Å; I197-I201 PolarHBondContact O-N 3.1Å |
| 198 | S | 94.3 | Very high | 95 | Very high | 49 Ų | 49 | 93.5 Ų | 93.5 | 34% | 0.343 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 176.5 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | K194 V195 S196 K202 | K194-S198 WeakPolarHBondContact O-CB 3.45Å; K194-S198 PolarHBondContact O-N 2.83Å; V195-S198 PolarHBondContact O-N 3.26Å; S196-S198 PolarHBondContact O-N 2.91Å; S198-K202 WeakPolarHBondContact O-CD 3.27Å; S198-K202 VanDerWaalsContact O-CG 3.27Å; S198-K202 WeakPolarHBondContact O-CG 3.42Å; S198-K202 PolarHBondContact O-N 2.97Å; S198-K202 VanDerWaalsContact O-N 3.17Å |
| 199 | F | 95.4 | Very high | 95 | Very high | 134 Ų | 134 | 93.4 Ų | 93.4 | 59% | 0.588 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66 | -46 | 174.3 | 175.9 | -96.7 | 0 | 0 | 0 | 111.8 | V195 S196 I197 I201 K202 L203 | V195-F199 PolarHBondContact O-N 3.04Å; S196-F199 WeakPolarHBondContact O-CB 3.2Å; S196-F199 PolarHBondContact O-N 3.45Å; S196-F199 VanDerWaalsContact O-N 3.15Å; I197-F199 VanDerWaalsContact C-N 3.3Å; I197-F199 PolarHBondContact O-N 3.19Å; F199-I201 PolarHBondContact O-N 3.18Å; F199-K202 PolarHBondContact O-N 3.44Å; F199-L203 HydrophobicContact CE1-CD2 4.36Å; F199-L203 PolarHBondContact O-N 3.3Å |
| 200 | C | 94.1 | Very high | 95.1 | Very high | 13 Ų | 13 | 95.1 Ų | 95.1 | 9% | 0.088 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 179.2 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | S196 I197 K202 L203 A204 W428 | S196-C200 PolarHBondContact O-N 3.01Å; S196-C200 PolarHBondContact O-SG 3.2Å; I197-C200 PolarHBondContact O-N 3.22Å; C200-K202 PolarHBondContact O-N 2.8Å; C200-L203 PolarHBondContact O-N 3.14Å; C200-A204 WeakPolarHBondContact O-CB 3.3Å; C200-A204 PolarHBondContact O-N 2.82Å; C200-W428 HydrophobicContact CB-CZ3 4.47Å; C200-W428 VanDerWaalsContact SG-CZ3 3.54Å |
| 201 | I | 95 | Very high | 95.2 | Very high | 92 Ų | 92 | 94.3 Ų | 94.3 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.3 | -67.8 | 167.3 | 0 | 0 | 0 | 111 | I197 F199 L203 A204 D205 | I197-I201 HydrophobicContact CG2-CD1 3.75Å; I197-I201 HydrophobicContact CG2-CG1 4.41Å; I197-I201 WeakPolarHBondContact O-CG1 3.47Å; I197-I201 PolarHBondContact O-N 3.1Å; F199-I201 PolarHBondContact O-N 3.18Å; I201-L203 VanDerWaalsContact C-N 3.31Å; I201-L203 PolarHBondContact O-N 3.25Å; I201-A204 PolarHBondContact O-N 2.84Å; I201-D205 WeakPolarHBondContact O-CB 3.3Å; I201-D205 PolarHBondContact O-N 3.4Å |
| 202 | K | 96.4 | Very high | 95.2 | Very high | 127 Ų | 127 | 95.2 Ų | 95.2 | 55% | 0.552 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.9 | -33.5 | 176.4 | -73.4 | 168.6 | -176.8 | 168.8 | 0 | 112.6 | S198 F199 C200 R206 | S198-K202 WeakPolarHBondContact O-CD 3.27Å; S198-K202 VanDerWaalsContact O-CG 3.27Å; S198-K202 WeakPolarHBondContact O-CG 3.42Å; S198-K202 PolarHBondContact O-N 2.97Å; S198-K202 VanDerWaalsContact O-N 3.17Å; F199-K202 PolarHBondContact O-N 3.44Å; C200-K202 PolarHBondContact O-N 2.8Å; K202-R206 VanDerWaalsContact O-CG 3.29Å; K202-R206 WeakPolarHBondContact O-CG 3.42Å; K202-R206 PolarHBondContact O-N 3.06Å |
| 203 | L | 96.2 | Very high | 95.4 | Very high | 95 Ų | 95 | 95.1 Ų | 95.1 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.1 | -44.5 | 175.8 | -176.1 | 61.2 | 0 | 0 | 0 | 111.2 | F199 C200 I201 R206 Y207 | F199-L203 HydrophobicContact CE1-CD2 4.36Å; F199-L203 PolarHBondContact O-N 3.3Å; C200-L203 PolarHBondContact O-N 3.14Å; I201-L203 VanDerWaalsContact C-N 3.31Å; I201-L203 PolarHBondContact O-N 3.25Å; L203-R206 PolarHBondContact O-N 3.02Å; L203-Y207 PolarHBondContact O-N 3.48Å |
| 204 | A | 95.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 93.7 Ų | 93.7 | 11% | 0.107 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C200 I201 R206 Y207 Y208 | C200-A204 WeakPolarHBondContact O-CB 3.3Å; C200-A204 PolarHBondContact O-N 2.82Å; I201-A204 PolarHBondContact O-N 2.84Å; A204-R206 PolarHBondContact O-N 2.87Å; A204-Y207 PolarHBondContact O-N 3.5Å; A204-Y208 VanDerWaalsContact O-CB 3.3Å; A204-Y208 WeakPolarHBondContact O-CB 3.02Å; A204-Y208 PolarHBondContact O-N 2.99Å |
| 205 | D | 96.1 | Very high | 95.6 | Very high | 59 Ų | 59 | 92.2 Ų | 92.2 | 32% | 0.316 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 175 | 173.7 | 64.9 | 0 | 0 | 0 | 112.5 | I201 Y208 K209 | I201-D205 WeakPolarHBondContact O-CB 3.3Å; I201-D205 PolarHBondContact O-N 3.4Å; D205-Y208 PolarHBondContact O-N 2.98Å; D205-K209 WeakPolarHBondContact O-CB 3.4Å; D205-K209 WeakPolarHBondContact O-CG 3.48Å; D205-K209 PolarHBondContact O-N 3.38Å; D205-K209 WeakPolarHBondContact OD1-CE 3.33Å; D205-K209 IonicContact OD1-NZ 3.53Å; D205-K209 PolarHBondContact OD1-NZ 3.38Å; D205-K209 IonicContact OD2-NZ 3.91Å; D205-K209 PolarHBondContact OD2-NZ 3.32Å |
| 206 | R | 96 | Very high | 95.8 | Very high | 181 Ų | 181 | 90 Ų | 90 | 68% | 0.683 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.4 | -46 | 174 | -75.8 | 173.5 | 179.4 | -173.2 | 0.2 | 112.1 | K202 L203 A204 K209 Q210 | K202-R206 VanDerWaalsContact O-CG 3.29Å; K202-R206 WeakPolarHBondContact O-CG 3.42Å; K202-R206 PolarHBondContact O-N 3.06Å; L203-R206 PolarHBondContact O-N 3.02Å; A204-R206 PolarHBondContact O-N 2.87Å; R206-K209 PolarHBondContact O-N 2.95Å; R206-Q210 WeakPolarHBondContact O-CB 3.46Å; R206-Q210 PolarHBondContact O-N 3.2Å |
| 207 | Y | 95.9 | Very high | 96 | Very high | 142 Ų | 142 | 91.3 Ų | 91.3 | 56% | 0.557 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | 179.4 | -177.4 | -94.5 | 0 | 0 | 0 | 111.9 | L203 A204 Q210 T211 | L203-Y207 PolarHBondContact O-N 3.48Å; A204-Y207 PolarHBondContact O-N 3.5Å; Y207-Q210 PolarHBondContact O-N 3.39Å; Y207-T211 WeakPolarHBondContact O-CB 3.3Å; Y207-T211 PolarHBondContact O-N 3.24Å; Y207-T211 PolarHBondContact O-OG1 3.2Å |
| 208 | Y | 95.2 | Very high | 96.2 | Very high | 94 Ų | 94 | 92.4 Ų | 92.4 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.2 | -51.1 | 175.5 | 177.8 | -107.2 | 0 | 0 | 0 | 111.6 | A204 D205 Q210 T211 I212 | A204-Y208 VanDerWaalsContact O-CB 3.3Å; A204-Y208 WeakPolarHBondContact O-CB 3.02Å; A204-Y208 PolarHBondContact O-N 2.99Å; D205-Y208 PolarHBondContact O-N 2.98Å; Y208-Q210 PolarHBondContact O-N 3.23Å; Y208-T211 PolarHBondContact O-N 3.32Å; Y208-T211 VanDerWaalsContact O-N 3.13Å; Y208-I212 HydrophobicContact CD1-CD1 4.14Å; Y208-I212 HydrophobicContact CD2-CD1 4.34Å; Y208-I212 HydrophobicContact CE1-CD1 3.53Å; Y208-I212 HydrophobicContact CE2-CD1 3.76Å; Y208-I212 HydrophobicContact CE2-CG1 4.46Å; Y208-I212 PolarHBondContact O-N 3.01Å; Y208-I212 WeakPolarHBondContact OH-CD1 3.5Å |
| 209 | K | 96.7 | Very high | 96.3 | Very high | 120 Ų | 120 | 91.8 Ų | 91.8 | 52% | 0.522 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 176 | -75.8 | 168.8 | 176.2 | 160 | 0 | 112.6 | D205 R206 T211 L213 | D205-K209 WeakPolarHBondContact O-CB 3.4Å; D205-K209 WeakPolarHBondContact O-CG 3.48Å; D205-K209 PolarHBondContact O-N 3.38Å; D205-K209 WeakPolarHBondContact OD1-CE 3.33Å; D205-K209 IonicContact OD1-NZ 3.53Å; D205-K209 PolarHBondContact OD1-NZ 3.38Å; D205-K209 IonicContact OD2-NZ 3.91Å; D205-K209 PolarHBondContact OD2-NZ 3.32Å; R206-K209 PolarHBondContact O-N 2.95Å; K209-T211 VanDerWaalsContact C-N 3.32Å; K209-T211 PolarHBondContact O-N 2.88Å; K209-L213 WeakPolarHBondContact O-CB 3.47Å; K209-L213 PolarHBondContact O-N 3.46Å |
| 210 | Q | 96.4 | Very high | 96.5 | Very high | 106 Ų | 106 | 92.9 Ų | 92.9 | 50% | 0.495 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 176.4 | -169.4 | -178.1 | 19.1 | 0 | 0 | 111.9 | R206 Y207 Y208 K214 | R206-Q210 WeakPolarHBondContact O-CB 3.46Å; R206-Q210 PolarHBondContact O-N 3.2Å; Y207-Q210 PolarHBondContact O-N 3.39Å; Y208-Q210 PolarHBondContact O-N 3.23Å; Q210-K214 WeakPolarHBondContact O-CB 3.04Å; Q210-K214 WeakPolarHBondContact O-CG 3.42Å; Q210-K214 PolarHBondContact O-N 2.92Å |
| 211 | T | 95.7 | Very high | 96.6 | Very high | 43 Ų | 43 | 97.9 Ų | 97.9 | 26% | 0.264 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.2 | -46.3 | 178.6 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | Y207 Y208 K209 K214 Q215 | Y207-T211 WeakPolarHBondContact O-CB 3.3Å; Y207-T211 PolarHBondContact O-N 3.24Å; Y207-T211 PolarHBondContact O-OG1 3.2Å; Y208-T211 PolarHBondContact O-N 3.32Å; Y208-T211 VanDerWaalsContact O-N 3.13Å; K209-T211 VanDerWaalsContact C-N 3.32Å; K209-T211 PolarHBondContact O-N 2.88Å; T211-K214 PolarHBondContact O-N 3.48Å; T211-Q215 WeakPolarHBondContact O-CG 3.36Å; T211-Q215 PolarHBondContact O-N 3.35Å |
| 212 | I | 97 | Very high | 96.7 | Very high | 74 Ų | 74 | 98.3 Ų | 98.3 | 38% | 0.379 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 174.3 | -71.3 | 179.3 | 0 | 0 | 0 | 111 | Y208 K214 Q215 A216 | Y208-I212 HydrophobicContact CD1-CD1 4.14Å; Y208-I212 HydrophobicContact CD2-CD1 4.34Å; Y208-I212 HydrophobicContact CE1-CD1 3.53Å; Y208-I212 HydrophobicContact CE2-CD1 3.76Å; Y208-I212 HydrophobicContact CE2-CG1 4.46Å; Y208-I212 PolarHBondContact O-N 3.01Å; Y208-I212 WeakPolarHBondContact OH-CD1 3.5Å; I212-K214 VanDerWaalsContact C-N 3.33Å; I212-K214 PolarHBondContact O-N 3.44Å; I212-Q215 PolarHBondContact O-N 3.48Å; I212-A216 WeakPolarHBondContact O-CB 3.34Å; I212-A216 PolarHBondContact O-N 3.42Å |
| 213 | L | 97.5 | Very high | 96.8 | Very high | 107 Ų | 107 | 98.6 Ų | 98.6 | 56% | 0.56 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.3 | -41.1 | 177.6 | -177.4 | 61.6 | 0 | 0 | 0 | 111.9 | K209 A216 I217 | K209-L213 WeakPolarHBondContact O-CB 3.47Å; K209-L213 PolarHBondContact O-N 3.46Å; L213-A216 PolarHBondContact O-N 3.33Å; L213-I217 HydrophobicContact CD1-CD1 4.07Å; L213-I217 HydrophobicContact CD1-CG1 4.35Å; L213-I217 HydrophobicContact CG-CD1 3.92Å; L213-I217 WeakPolarHBondContact O-CB 3.45Å; L213-I217 VanDerWaalsContact O-CG1 3.25Å; L213-I217 WeakPolarHBondContact O-CG1 3.49Å; L213-I217 PolarHBondContact O-N 3.29Å |
| 214 | K | 96.7 | Very high | 96.8 | Very high | 120 Ų | 120 | 96.8 Ų | 96.8 | 52% | 0.522 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 173 | -77.4 | 176.2 | 176.8 | -177.2 | 0 | 111.8 | Q210 T211 I212 I217 I218 | Q210-K214 WeakPolarHBondContact O-CB 3.04Å; Q210-K214 WeakPolarHBondContact O-CG 3.42Å; Q210-K214 PolarHBondContact O-N 2.92Å; T211-K214 PolarHBondContact O-N 3.48Å; I212-K214 VanDerWaalsContact C-N 3.33Å; I212-K214 PolarHBondContact O-N 3.44Å; K214-I217 PolarHBondContact O-N 2.96Å; K214-I218 WeakPolarHBondContact O-CB 3.42Å; K214-I218 WeakPolarHBondContact O-CD1 3.46Å; K214-I218 VanDerWaalsContact O-CG1 3.25Å; K214-I218 WeakPolarHBondContact O-CG1 3.27Å; K214-I218 PolarHBondContact O-N 3Å |
| 215 | Q | 97.2 | Very high | 96.8 | Very high | 127 Ų | 127 | 100.2 Ų | 100.2 | 59% | 0.593 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 177.9 | -72.1 | 176.1 | 0.3 | 0 | 0 | 111.8 | T211 I212 I218 G219 | T211-Q215 WeakPolarHBondContact O-CG 3.36Å; T211-Q215 PolarHBondContact O-N 3.35Å; I212-Q215 PolarHBondContact O-N 3.48Å; Q215-I218 PolarHBondContact O-N 3.24Å; Q215-G219 PolarHBondContact O-N 3.15Å |
| 216 | A | 97.7 | Very high | 96.8 | Very high | 58 Ų | 58 | 104.3 Ų | 104.3 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I212 L213 W220 | I212-A216 WeakPolarHBondContact O-CB 3.34Å; I212-A216 PolarHBondContact O-N 3.42Å; L213-A216 PolarHBondContact O-N 3.33Å; A216-W220 VanDerWaalsContact O-CB 3.23Å; A216-W220 WeakPolarHBondContact O-CB 3.38Å; A216-W220 PolarHBondContact O-N 3.28Å |
| 217 | I | 97.4 | Very high | 96.9 | Very high | 92 Ų | 92 | 97.1 Ų | 97.1 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 175.5 | -69.9 | 166.2 | 0 | 0 | 0 | 111.2 | L213 K214 K221 | L213-I217 HydrophobicContact CD1-CD1 4.07Å; L213-I217 HydrophobicContact CD1-CG1 4.35Å; L213-I217 HydrophobicContact CG-CD1 3.92Å; L213-I217 WeakPolarHBondContact O-CB 3.45Å; L213-I217 VanDerWaalsContact O-CG1 3.25Å; L213-I217 WeakPolarHBondContact O-CG1 3.49Å; L213-I217 PolarHBondContact O-N 3.29Å; K214-I217 PolarHBondContact O-N 2.96Å; I217-K221 VanDerWaalsContact O-CB 3.3Å; I217-K221 WeakPolarHBondContact O-CB 3.29Å; I217-K221 PolarHBondContact O-N 2.87Å |
| 218 | I | 97.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 94 Ų | 94 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 177 | -69.5 | 164.3 | 0 | 0 | 0 | 110.5 | K214 Q215 W220 K221 Q222 | K214-I218 WeakPolarHBondContact O-CB 3.42Å; K214-I218 WeakPolarHBondContact O-CD1 3.46Å; K214-I218 VanDerWaalsContact O-CG1 3.25Å; K214-I218 WeakPolarHBondContact O-CG1 3.27Å; K214-I218 PolarHBondContact O-N 3Å; Q215-I218 PolarHBondContact O-N 3.24Å; I218-W220 PolarHBondContact O-N 3.48Å; I218-K221 PolarHBondContact O-N 3.38Å; I218-Q222 HydrophobicContact CG2-CG 4.48Å; I218-Q222 WeakPolarHBondContact O-CB 3.48Å; I218-Q222 WeakPolarHBondContact O-CG 3.25Å; I218-Q222 PolarHBondContact O-N 2.88Å |
| 219 | G | 97.7 | Very high | 97 | Very high | 35 Ų | 35 | 96 Ų | 96 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q215 Q222 F223 | Q215-G219 PolarHBondContact O-N 3.15Å; G219-Q222 PolarHBondContact O-N 3.47Å; G219-F223 WeakPolarHBondContact O-CB 3.39Å; G219-F223 PolarHBondContact O-N 3.22Å |
| 220 | W | 97.9 | Very high | 97 | Very high | 157 Ų | 157 | 95.6 Ų | 95.6 | 60% | 0.595 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 173.9 | 177.3 | 68.6 | 0 | 0 | 0 | 111.9 | A216 I218 Q222 F223 M224 | A216-W220 VanDerWaalsContact O-CB 3.23Å; A216-W220 WeakPolarHBondContact O-CB 3.38Å; A216-W220 PolarHBondContact O-N 3.28Å; I218-W220 PolarHBondContact O-N 3.48Å; W220-Q222 PolarHBondContact O-N 3.18Å; W220-F223 PolarHBondContact O-N 2.91Å; W220-M224 HydrophobicContact CD2-CG 4.24Å; W220-M224 HydrophobicContact CG-CG 4.44Å; W220-M224 HydrophobicContact CZ2-CG 4.11Å; W220-M224 WeakPolarHBondContact O-CB 3.44Å; W220-M224 VanDerWaalsContact O-CG 3.29Å; W220-M224 WeakPolarHBondContact O-CG 3.34Å; W220-M224 PolarHBondContact O-N 3.32Å |
| 221 | K | 97.6 | Very high | 97 | Very high | 119 Ų | 119 | 95.7 Ų | 95.7 | 52% | 0.517 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.7 | -49.5 | 174.9 | 177.3 | 179.7 | 170.2 | 178.7 | 0 | 111.1 | I217 I218 F223 M224 E225 | I217-K221 VanDerWaalsContact O-CB 3.3Å; I217-K221 WeakPolarHBondContact O-CB 3.29Å; I217-K221 PolarHBondContact O-N 2.87Å; I218-K221 PolarHBondContact O-N 3.38Å; K221-F223 PolarHBondContact O-N 3.15Å; K221-M224 PolarHBondContact O-N 2.89Å; K221-E225 WeakPolarHBondContact CE-OE1 3.25Å; K221-E225 HydrophobicContact CG-CG 4.41Å; K221-E225 IonicContact NZ-OE1 2.95Å; K221-E225 WeakPolarHBondContact O-CB 3.35Å; K221-E225 WeakPolarHBondContact O-CG 3.38Å; K221-E225 PolarHBondContact O-N 3.17Å |
| 222 | Q | 96.5 | Very high | 97 | Very high | 101 Ų | 101 | 94.6 Ų | 94.6 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 178.8 | -74.1 | 173.4 | -26.9 | 0 | 0 | 112.1 | I218 G219 W220 E225 Y226 | I218-Q222 HydrophobicContact CG2-CG 4.48Å; I218-Q222 WeakPolarHBondContact O-CB 3.48Å; I218-Q222 WeakPolarHBondContact O-CG 3.25Å; I218-Q222 PolarHBondContact O-N 2.88Å; G219-Q222 PolarHBondContact O-N 3.47Å; W220-Q222 PolarHBondContact O-N 3.18Å; Q222-E225 PolarHBondContact O-N 3.45Å; Q222-Y226 VanDerWaalsContact O-CB 3.29Å; Q222-Y226 WeakPolarHBondContact O-CB 3.47Å; Q222-Y226 PolarHBondContact O-N 2.92Å |
| 223 | F | 97.7 | Very high | 97 | Very high | 133 Ų | 133 | 98.2 Ų | 98.2 | 58% | 0.583 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 175.4 | 175.7 | -98 | 0 | 0 | 0 | 112.3 | G219 W220 K221 Y226 S227 | G219-F223 WeakPolarHBondContact O-CB 3.39Å; G219-F223 PolarHBondContact O-N 3.22Å; W220-F223 PolarHBondContact O-N 2.91Å; K221-F223 PolarHBondContact O-N 3.15Å; F223-Y226 PolarHBondContact O-N 2.94Å; F223-S227 VanDerWaalsContact O-CB 3.28Å; F223-S227 WeakPolarHBondContact O-CB 3.5Å; F223-S227 PolarHBondContact O-N 3.42Å |
| 224 | M | 96.4 | Very high | 97 | Very high | 57 Ų | 57 | 101.9 Ų | 101.9 | 28% | 0.281 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 177.6 | -71.3 | -60.7 | -64.8 | 0 | 0 | 112 | W220 K221 W228 | W220-M224 HydrophobicContact CD2-CG 4.24Å; W220-M224 HydrophobicContact CG-CG 4.44Å; W220-M224 HydrophobicContact CZ2-CG 4.11Å; W220-M224 WeakPolarHBondContact O-CB 3.44Å; W220-M224 VanDerWaalsContact O-CG 3.29Å; W220-M224 WeakPolarHBondContact O-CG 3.34Å; W220-M224 PolarHBondContact O-N 3.32Å; K221-M224 PolarHBondContact O-N 2.89Å; M224-W228 WeakPolarHBondContact O-CB 3.5Å; M224-W228 PolarHBondContact O-N 2.94Å |
| 225 | E | 96.4 | Very high | 97 | Very high | 85 Ų | 85 | 102.5 Ų | 102.5 | 40% | 0.397 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 174.7 | -75.5 | 179.3 | 168.9 | 0 | 0 | 111.8 | K221 Q222 K229 | K221-E225 WeakPolarHBondContact CE-OE1 3.25Å; K221-E225 HydrophobicContact CG-CG 4.41Å; K221-E225 IonicContact NZ-OE1 2.95Å; K221-E225 WeakPolarHBondContact O-CB 3.35Å; K221-E225 WeakPolarHBondContact O-CG 3.38Å; K221-E225 PolarHBondContact O-N 3.17Å; Q222-E225 PolarHBondContact O-N 3.45Å; E225-K229 WeakPolarHBondContact O-CB 3.48Å; E225-K229 VanDerWaalsContact O-CG 3.28Å; E225-K229 WeakPolarHBondContact O-CG 3.33Å; E225-K229 PolarHBondContact O-N 2.95Å |
| 226 | Y | 96.4 | Very high | 97 | Very high | 145 Ų | 145 | 101 Ų | 101 | 57% | 0.569 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.4 | -51 | 176.4 | 176.8 | -94.8 | 0 | 0 | 0 | 111.8 | Q222 F223 W228 K229 Q230 | Q222-Y226 VanDerWaalsContact O-CB 3.29Å; Q222-Y226 WeakPolarHBondContact O-CB 3.47Å; Q222-Y226 PolarHBondContact O-N 2.92Å; F223-Y226 PolarHBondContact O-N 2.94Å; Y226-W228 VanDerWaalsContact C-N 3.34Å; Y226-W228 PolarHBondContact O-N 3.3Å; Y226-K229 PolarHBondContact O-N 2.86Å; Y226-Q230 WeakPolarHBondContact O-CB 3.47Å; Y226-Q230 PolarHBondContact O-N 3.48Å |
| 227 | S | 96.5 | Very high | 97 | Very high | 30 Ų | 30 | 100.7 Ų | 100.7 | 21% | 0.21 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 177.8 | 174.8 | 0 | 0 | 0 | 0 | 112 | F223 Q230 R231 | F223-S227 VanDerWaalsContact O-CB 3.28Å; F223-S227 WeakPolarHBondContact O-CB 3.5Å; F223-S227 PolarHBondContact O-N 3.42Å; S227-Q230 PolarHBondContact O-N 2.89Å; S227-R231 WeakPolarHBondContact O-CB 3.34Å; S227-R231 WeakPolarHBondContact O-CG 3.29Å; S227-R231 PolarHBondContact O-N 3.33Å; S227-R231 PolarHBondContact OG-NE 3.44Å |
| 228 | W | 96.5 | Very high | 97 | Very high | 75 Ų | 75 | 101 Ų | 101 | 28% | 0.284 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 175.5 | 177.9 | 88.3 | 0 | 0 | 0 | 111.9 | M224 Y226 Q230 R231 N232 | M224-W228 WeakPolarHBondContact O-CB 3.5Å; M224-W228 PolarHBondContact O-N 2.94Å; Y226-W228 VanDerWaalsContact C-N 3.34Å; Y226-W228 PolarHBondContact O-N 3.3Å; W228-Q230 PolarHBondContact O-N 3.4Å; W228-R231 PolarHBondContact O-N 2.74Å; W228-N232 VanDerWaalsContact CD1-ND2 3.32Å; W228-N232 PolarHBondContact NE1-ND2 3.41Å; W228-N232 WeakPolarHBondContact O-CB 3.45Å; W228-N232 PolarHBondContact O-N 2.85Å; W228-N232 PolarHBondContact O-ND2 2.95Å |
| 229 | K | 97.2 | Very high | 96.9 | Very high | 137 Ų | 137 | 101.7 Ų | 101.7 | 60% | 0.596 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -58.7 | -46.9 | 174.6 | -78.6 | 176.7 | -180 | 179.8 | 0 | 111.2 | E225 Y226 N232 F233 | E225-K229 WeakPolarHBondContact O-CB 3.48Å; E225-K229 VanDerWaalsContact O-CG 3.28Å; E225-K229 WeakPolarHBondContact O-CG 3.33Å; E225-K229 PolarHBondContact O-N 2.95Å; Y226-K229 PolarHBondContact O-N 2.86Å; K229-N232 PolarHBondContact O-N 2.78Å; K229-F233 VanDerWaalsContact O-CB 3.26Å; K229-F233 WeakPolarHBondContact O-CB 3.23Å; K229-F233 PolarHBondContact O-N 2.93Å |
| 230 | Q | 96.6 | Very high | 96.9 | Very high | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | -180 | -168.1 | -179.8 | 15.3 | 0 | 0 | 112.1 | Y226 S227 W228 R234 | Y226-Q230 WeakPolarHBondContact O-CB 3.47Å; Y226-Q230 PolarHBondContact O-N 3.48Å; S227-Q230 PolarHBondContact O-N 2.89Å; W228-Q230 PolarHBondContact O-N 3.4Å; Q230-R234 WeakPolarHBondContact O-CB 3.29Å; Q230-R234 PolarHBondContact O-N 2.98Å |
| 231 | R | 96.6 | Very high | 96.9 | Very high | 108 Ų | 108 | 100.7 Ų | 100.7 | 41% | 0.408 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 177.6 | -71 | -174.3 | -63.7 | 116.2 | 0.7 | 112.5 | S227 W228 R235 E391 | S227-R231 WeakPolarHBondContact O-CB 3.34Å; S227-R231 WeakPolarHBondContact O-CG 3.29Å; S227-R231 PolarHBondContact O-N 3.33Å; S227-R231 PolarHBondContact OG-NE 3.44Å; W228-R231 PolarHBondContact O-N 2.74Å; R231-R235 WeakPolarHBondContact O-CB 3.28Å; R231-R235 PolarHBondContact O-N 2.95Å; R231-E391 IonicContact CZ-OE1 2.76Å; R231-E391 IonicContact CZ-OE2 3.18Å; R231-E391 VanDerWaalsContact NH1-CD 3.25Å; R231-E391 IonicContact NH1-OE1 3.44Å; R231-E391 PolarHBondContact NH1-OE1 3.42Å; R231-E391 IonicContact NH1-OE2 2.71Å; R231-E391 PolarHBondContact NH1-OE2 2.93Å; R231-E391 IonicContact NH2-OE1 3.63Å; R231-E391 PolarHBondContact NH2-OE1 2.86Å |
| 232 | N | 97.1 | Very high | 96.8 | Very high | 20 Ų | 20 | 98.2 Ų | 98.2 | 11% | 0.107 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 175.7 | -80.4 | -93.1 | 0 | 0 | 0 | 112 | W228 K229 R235 L236 | W228-N232 VanDerWaalsContact CD1-ND2 3.32Å; W228-N232 PolarHBondContact NE1-ND2 3.41Å; W228-N232 WeakPolarHBondContact O-CB 3.45Å; W228-N232 PolarHBondContact O-N 2.85Å; W228-N232 PolarHBondContact O-ND2 2.95Å; K229-N232 PolarHBondContact O-N 2.78Å; N232-R235 PolarHBondContact O-N 2.94Å; N232-L236 WeakPolarHBondContact O-CB 3.35Å; N232-L236 VanDerWaalsContact O-CG 3.3Å; N232-L236 WeakPolarHBondContact O-CG 3.3Å; N232-L236 PolarHBondContact O-N 3.49Å |
| 233 | F | 96.9 | Very high | 96.8 | Very high | 149 Ų | 149 | 97.2 Ų | 97.2 | 65% | 0.654 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.4 | -49.9 | 174.5 | -174.1 | -95.6 | 0 | 0 | 0 | 110.5 | K229 R235 L236 T237 | K229-F233 VanDerWaalsContact O-CB 3.26Å; K229-F233 WeakPolarHBondContact O-CB 3.23Å; K229-F233 PolarHBondContact O-N 2.93Å; F233-R235 VanDerWaalsContact C-N 3.33Å; F233-R235 PolarHBondContact O-N 3.21Å; F233-L236 PolarHBondContact O-N 2.71Å; F233-T237 WeakPolarHBondContact O-CB 3.28Å; F233-T237 PolarHBondContact O-N 3.36Å; F233-T237 PolarHBondContact O-OG1 2.65Å |
| 234 | R | 97 | Very high | 96.8 | Very high | 185 Ų | 185 | 94.9 Ų | 94.9 | 70% | 0.698 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.7 | -41.1 | 175.8 | -173.7 | 174.8 | -178.6 | 167.9 | 1.3 | 112.9 | Q230 L238 | Q230-R234 WeakPolarHBondContact O-CB 3.29Å; Q230-R234 PolarHBondContact O-N 2.98Å; R234-L238 HydrophobicContact CG-CD1 4.3Å; R234-L238 WeakPolarHBondContact O-CG 3.41Å; R234-L238 PolarHBondContact O-N 2.87Å; R234-L238 VanDerWaalsContact O-N 3.08Å |
| 235 | R | 96.9 | Very high | 96.8 | Very high | 133 Ų | 133 | 96.9 Ų | 96.9 | 50% | 0.502 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 176.4 | -169.1 | -173.1 | 75.5 | -153.1 | -4.1 | 111.4 | R231 N232 F233 T237 L238 E239 | R231-R235 WeakPolarHBondContact O-CB 3.28Å; R231-R235 PolarHBondContact O-N 2.95Å; N232-R235 PolarHBondContact O-N 2.94Å; F233-R235 VanDerWaalsContact C-N 3.33Å; F233-R235 PolarHBondContact O-N 3.21Å; R235-T237 VanDerWaalsContact C-N 3.33Å; R235-T237 PolarHBondContact O-N 3.3Å; R235-L238 PolarHBondContact O-N 2.84Å; R235-E239 WeakPolarHBondContact O-CB 3.39Å; R235-E239 PolarHBondContact O-N 3.19Å |
| 236 | L | 97.1 | Very high | 96.8 | Very high | 96 Ų | 96 | 97.1 Ų | 97.1 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63 | -37.3 | 179 | -70.7 | 168.6 | 0 | 0 | 0 | 111.9 | N232 F233 E239 A240 | N232-L236 WeakPolarHBondContact O-CB 3.35Å; N232-L236 VanDerWaalsContact O-CG 3.3Å; N232-L236 WeakPolarHBondContact O-CG 3.3Å; N232-L236 PolarHBondContact O-N 3.49Å; F233-L236 PolarHBondContact O-N 2.71Å; L236-E239 PolarHBondContact O-N 2.8Å; L236-A240 VanDerWaalsContact O-CB 3.27Å; L236-A240 WeakPolarHBondContact O-CB 3.35Å; L236-A240 PolarHBondContact O-N 2.95Å |
| 237 | T | 97.2 | Very high | 96.8 | Very high | 51 Ų | 51 | 94 Ų | 94 | 31% | 0.313 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 173.2 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | F233 R235 Q241 | F233-T237 WeakPolarHBondContact O-CB 3.28Å; F233-T237 PolarHBondContact O-N 3.36Å; F233-T237 PolarHBondContact O-OG1 2.65Å; R235-T237 VanDerWaalsContact C-N 3.33Å; R235-T237 PolarHBondContact O-N 3.3Å; T237-Q241 WeakPolarHBondContact O-CB 3.47Å; T237-Q241 WeakPolarHBondContact O-CG 3.22Å; T237-Q241 PolarHBondContact O-N 3.3Å |
| 238 | L | 97 | Very high | 96.9 | Very high | 98 Ų | 98 | 99.1 Ų | 99.1 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 177.5 | -71.7 | 169.5 | 0 | 0 | 0 | 112.2 | R234 R235 Q241 S242 | R234-L238 HydrophobicContact CG-CD1 4.3Å; R234-L238 WeakPolarHBondContact O-CG 3.41Å; R234-L238 PolarHBondContact O-N 2.87Å; R234-L238 VanDerWaalsContact O-N 3.08Å; R235-L238 PolarHBondContact O-N 2.84Å; L238-Q241 PolarHBondContact O-N 3.48Å; L238-S242 WeakPolarHBondContact O-CB 2.76Å; L238-S242 PolarHBondContact O-N 3.44Å; L238-S242 PolarHBondContact O-OG 2.96Å |
| 239 | E | 96.8 | Very high | 96.9 | Very high | 109 Ų | 109 | 100.9 Ų | 100.9 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 176.1 | -171.5 | 166.7 | -167.4 | 0 | 0 | 110.7 | R235 L236 Q241 S242 E243 | R235-E239 WeakPolarHBondContact O-CB 3.39Å; R235-E239 PolarHBondContact O-N 3.19Å; L236-E239 PolarHBondContact O-N 2.8Å; E239-Q241 PolarHBondContact O-N 3.13Å; E239-S242 PolarHBondContact O-N 2.83Å; E239-S242 VanDerWaalsContact O-N 3.13Å; E239-S242 PolarHBondContact O-OG 3.34Å; E239-E243 PolarHBondContact O-N 3.41Å |
| 240 | A | 96.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 98.8 Ų | 98.8 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L236 C244 | L236-A240 VanDerWaalsContact O-CB 3.27Å; L236-A240 WeakPolarHBondContact O-CB 3.35Å; L236-A240 PolarHBondContact O-N 2.95Å; A240-C244 VanDerWaalsContact O-CB 3.28Å; A240-C244 WeakPolarHBondContact O-CB 3.4Å; A240-C244 PolarHBondContact O-N 3.37Å |
| 241 | Q | 97.4 | Very high | 96.9 | Very high | 108 Ų | 108 | 98.5 Ų | 98.5 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 172.8 | -77.6 | 173.1 | -11.7 | 0 | 0 | 111.8 | T237 L238 E239 C244 I245 | T237-Q241 WeakPolarHBondContact O-CB 3.47Å; T237-Q241 WeakPolarHBondContact O-CG 3.22Å; T237-Q241 PolarHBondContact O-N 3.3Å; L238-Q241 PolarHBondContact O-N 3.48Å; E239-Q241 PolarHBondContact O-N 3.13Å; Q241-C244 PolarHBondContact O-N 2.98Å; Q241-I245 VanDerWaalsContact O-CG1 3.3Å; Q241-I245 WeakPolarHBondContact O-CG1 3.41Å; Q241-I245 PolarHBondContact O-N 2.87Å |
| 242 | S | 96.5 | Very high | 96.9 | Very high | 66 Ų | 66 | 97.4 Ų | 97.4 | 46% | 0.462 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 178.3 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | L238 E239 I245 K246 | L238-S242 WeakPolarHBondContact O-CB 2.76Å; L238-S242 PolarHBondContact O-N 3.44Å; L238-S242 PolarHBondContact O-OG 2.96Å; E239-S242 PolarHBondContact O-N 2.83Å; E239-S242 VanDerWaalsContact O-N 3.13Å; E239-S242 PolarHBondContact O-OG 3.34Å; S242-I245 PolarHBondContact O-N 2.95Å; S242-K246 WeakPolarHBondContact O-CB 3.5Å; S242-K246 PolarHBondContact O-N 3.09Å |
| 243 | E | 96.9 | Very high | 96.9 | Very high | 81 Ų | 81 | 102.7 Ų | 102.7 | 38% | 0.379 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.6 | -36.8 | 177.6 | -163.8 | 61.3 | -154 | 0 | 0 | 111.1 | E239 I245 K246 I247 | E239-E243 PolarHBondContact O-N 3.41Å; E243-I245 VanDerWaalsContact C-N 3.33Å; E243-I245 PolarHBondContact O-N 2.95Å; E243-K246 PolarHBondContact O-N 2.74Å; E243-K246 IonicContact OE1-NZ 3.16Å; E243-K246 PolarHBondContact OE1-NZ 3.26Å; E243-K246 IonicContact OE2-NZ 3.52Å; E243-K246 PolarHBondContact OE2-NZ 2.87Å; E243-I247 HydrophobicContact CG-CD1 4.06Å; E243-I247 HydrophobicContact CG-CG1 4.49Å; E243-I247 WeakPolarHBondContact O-CB 3.3Å; E243-I247 VanDerWaalsContact O-CG1 3.29Å; E243-I247 WeakPolarHBondContact O-CG1 3.41Å; E243-I247 PolarHBondContact O-N 3.44Å |
| 244 | C | 96.4 | Very high | 96.9 | Very high | 84 Ų | 84 | 100.3 Ų | 100.3 | 57% | 0.568 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.6 | -38.2 | 171.9 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | A240 Q241 K248 | A240-C244 VanDerWaalsContact O-CB 3.28Å; A240-C244 WeakPolarHBondContact O-CB 3.4Å; A240-C244 PolarHBondContact O-N 3.37Å; Q241-C244 PolarHBondContact O-N 2.98Å; C244-K248 VanDerWaalsContact O-CB 3.3Å; C244-K248 WeakPolarHBondContact O-CB 3.41Å; C244-K248 PolarHBondContact O-N 2.91Å; C244-K248 VanDerWaalsContact O-N 3.08Å |
| 245 | I | 96.7 | Very high | 96.9 | Very high | 99 Ų | 99 | 95.7 Ų | 95.7 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 174.5 | -70 | 164.2 | 0 | 0 | 0 | 110.5 | Q241 S242 E243 K248 Q249 | Q241-I245 VanDerWaalsContact O-CG1 3.3Å; Q241-I245 WeakPolarHBondContact O-CG1 3.41Å; Q241-I245 PolarHBondContact O-N 2.87Å; S242-I245 PolarHBondContact O-N 2.95Å; E243-I245 VanDerWaalsContact C-N 3.33Å; E243-I245 PolarHBondContact O-N 2.95Å; I245-K248 PolarHBondContact O-N 3.48Å; I245-Q249 WeakPolarHBondContact O-CG 3.33Å; I245-Q249 PolarHBondContact O-N 3.33Å |
| 246 | K | 96.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 94.6 Ų | 94.6 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.7 | -50.7 | 177.7 | 174.2 | 170.1 | 159.7 | -95.8 | 0 | 111.8 | S242 E243 K248 Q249 E250 | S242-K246 WeakPolarHBondContact O-CB 3.5Å; S242-K246 PolarHBondContact O-N 3.09Å; E243-K246 PolarHBondContact O-N 2.74Å; E243-K246 IonicContact OE1-NZ 3.16Å; E243-K246 PolarHBondContact OE1-NZ 3.26Å; E243-K246 IonicContact OE2-NZ 3.52Å; E243-K246 PolarHBondContact OE2-NZ 2.87Å; K246-K248 VanDerWaalsContact C-N 3.29Å; K246-K248 PolarHBondContact O-N 2.89Å; K246-Q249 WeakPolarHBondContact O-CA 3.34Å; K246-Q249 WeakPolarHBondContact O-CB 3.26Å; K246-Q249 PolarHBondContact O-N 2.91Å; K246-E250 WeakPolarHBondContact CE-OE1 3.36Å; K246-E250 WeakPolarHBondContact CG-OE1 3.34Å; K246-E250 IonicContact NZ-OE1 2.66Å; K246-E250 WeakPolarHBondContact O-CG 3.3Å; K246-E250 PolarHBondContact O-N 3.48Å |
| 247 | I | 97.1 | Very high | 96.8 | Very high | 79 Ų | 79 | 94.6 Ų | 94.6 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.9 | -42.3 | 174.9 | -68.2 | 166.3 | 0 | 0 | 0 | 110.8 | E243 Q249 E250 L251 | E243-I247 HydrophobicContact CG-CD1 4.06Å; E243-I247 HydrophobicContact CG-CG1 4.49Å; E243-I247 WeakPolarHBondContact O-CB 3.3Å; E243-I247 VanDerWaalsContact O-CG1 3.29Å; E243-I247 WeakPolarHBondContact O-CG1 3.41Å; E243-I247 PolarHBondContact O-N 3.44Å; I247-Q249 VanDerWaalsContact C-N 3.32Å; I247-Q249 PolarHBondContact O-N 3.46Å; I247-E250 PolarHBondContact O-N 3.43Å; I247-L251 HydrophobicContact CG2-CD1 3.92Å; I247-L251 HydrophobicContact CG2-CG 4.32Å; I247-L251 WeakPolarHBondContact O-CB 3.42Å; I247-L251 VanDerWaalsContact O-CG 3.29Å; I247-L251 WeakPolarHBondContact O-CG 3.44Å; I247-L251 PolarHBondContact O-N 3.3Å |
| 248 | K | 96.9 | Very high | 96.7 | Very high | 138 Ų | 138 | 96.7 Ų | 96.7 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.7 | -37.2 | 175.6 | -177.1 | 176.4 | 179.5 | 177.4 | 0 | 112.5 | C244 I245 K246 N252 | C244-K248 VanDerWaalsContact O-CB 3.3Å; C244-K248 WeakPolarHBondContact O-CB 3.41Å; C244-K248 PolarHBondContact O-N 2.91Å; C244-K248 VanDerWaalsContact O-N 3.08Å; I245-K248 PolarHBondContact O-N 3.48Å; K246-K248 VanDerWaalsContact C-N 3.29Å; K246-K248 PolarHBondContact O-N 2.89Å; K248-N252 WeakPolarHBondContact O-CB 3.22Å; K248-N252 PolarHBondContact O-N 3.26Å; K248-N252 PolarHBondContact O-ND2 2.85Å |
| 249 | Q | 96.9 | Very high | 96.7 | Very high | 113 Ų | 113 | 97.4 Ų | 97.4 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.3 | -44.8 | 175.2 | -73.2 | 173.4 | -12.9 | 0 | 0 | 111.8 | I245 K246 I247 N252 Q253 | I245-Q249 WeakPolarHBondContact O-CG 3.33Å; I245-Q249 PolarHBondContact O-N 3.33Å; K246-Q249 WeakPolarHBondContact O-CA 3.34Å; K246-Q249 WeakPolarHBondContact O-CB 3.26Å; K246-Q249 PolarHBondContact O-N 2.91Å; I247-Q249 VanDerWaalsContact C-N 3.32Å; I247-Q249 PolarHBondContact O-N 3.46Å; Q249-N252 PolarHBondContact O-N 2.86Å; Q249-Q253 WeakPolarHBondContact O-CB 3.47Å; Q249-Q253 WeakPolarHBondContact O-CG 3.28Å; Q249-Q253 PolarHBondContact O-N 3.48Å |
| 250 | E | 96.9 | Very high | 96.6 | Very high | 93 Ų | 93 | 94.5 Ų | 94.5 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 176.4 | -71.2 | 171.8 | -174.7 | 0 | 0 | 111.6 | K246 I247 Q253 K254 | K246-E250 WeakPolarHBondContact CE-OE1 3.36Å; K246-E250 WeakPolarHBondContact CG-OE1 3.34Å; K246-E250 IonicContact NZ-OE1 2.66Å; K246-E250 WeakPolarHBondContact O-CG 3.3Å; K246-E250 PolarHBondContact O-N 3.48Å; I247-E250 PolarHBondContact O-N 3.43Å; E250-Q253 PolarHBondContact O-N 3.47Å; E250-K254 WeakPolarHBondContact O-CB 3.27Å; E250-K254 PolarHBondContact O-N 2.9Å |
| 251 | L | 97.3 | Very high | 96.5 | Very high | 106 Ų | 106 | 94.8 Ų | 94.8 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 174.5 | -71.8 | 173.2 | 0 | 0 | 0 | 112 | I247 Q253 K254 I255 | I247-L251 HydrophobicContact CG2-CD1 3.92Å; I247-L251 HydrophobicContact CG2-CG 4.32Å; I247-L251 WeakPolarHBondContact O-CB 3.42Å; I247-L251 VanDerWaalsContact O-CG 3.29Å; I247-L251 WeakPolarHBondContact O-CG 3.44Å; I247-L251 PolarHBondContact O-N 3.3Å; L251-Q253 PolarHBondContact O-N 3.24Å; L251-K254 PolarHBondContact O-N 2.89Å; L251-I255 WeakPolarHBondContact O-CG1 3.3Å; L251-I255 PolarHBondContact O-N 3.49Å |
| 252 | N | 96.8 | Very high | 96.4 | Very high | 84 Ų | 84 | 94.3 Ų | 94.3 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.1 | -76.6 | -11 | 0 | 0 | 0 | 112.3 | K248 Q249 K254 I255 L256 | K248-N252 WeakPolarHBondContact O-CB 3.22Å; K248-N252 PolarHBondContact O-N 3.26Å; K248-N252 PolarHBondContact O-ND2 2.85Å; Q249-N252 PolarHBondContact O-N 2.86Å; N252-K254 VanDerWaalsContact C-N 3.31Å; N252-K254 PolarHBondContact O-N 3.32Å; N252-I255 PolarHBondContact O-N 3.14Å; N252-L256 WeakPolarHBondContact O-CG 3.37Å; N252-L256 PolarHBondContact O-N 2.95Å |
| 253 | Q | 96.7 | Very high | 96.4 | Very high | 132 Ų | 132 | 98.4 Ų | 98.4 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 173.1 | -75.3 | 175.7 | 2.1 | 0 | 0 | 111.2 | Q249 E250 L251 L256 Q257 | Q249-Q253 WeakPolarHBondContact O-CB 3.47Å; Q249-Q253 WeakPolarHBondContact O-CG 3.28Å; Q249-Q253 PolarHBondContact O-N 3.48Å; E250-Q253 PolarHBondContact O-N 3.47Å; L251-Q253 PolarHBondContact O-N 3.24Å; Q253-L256 PolarHBondContact O-N 3.41Å; Q253-Q257 WeakPolarHBondContact O-CB 3.37Å; Q253-Q257 PolarHBondContact O-N 2.87Å |
| 254 | K | 96.8 | Very high | 96.3 | Very high | 99 Ų | 99 | 98.7 Ų | 98.7 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 177.9 | -169.1 | 57.5 | -178.9 | 168.7 | 0 | 112.5 | E250 L251 N252 Q257 L258 | E250-K254 WeakPolarHBondContact O-CB 3.27Å; E250-K254 PolarHBondContact O-N 2.9Å; L251-K254 PolarHBondContact O-N 2.89Å; N252-K254 VanDerWaalsContact C-N 3.31Å; N252-K254 PolarHBondContact O-N 3.32Å; K254-Q257 PolarHBondContact O-N 2.87Å; K254-L258 HydrophobicContact CG-CD1 4.23Å; K254-L258 WeakPolarHBondContact O-CB 3.32Å; K254-L258 VanDerWaalsContact O-CG 3.24Å; K254-L258 WeakPolarHBondContact O-CG 3.29Å; K254-L258 PolarHBondContact O-N 3Å |
| 255 | I | 96.2 | Very high | 96.1 | Very high | 87 Ų | 87 | 98 Ų | 98 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -52.6 | 171.3 | -69.6 | 163.5 | 0 | 0 | 0 | 110 | L251 N252 Q257 L258 E259 | L251-I255 WeakPolarHBondContact O-CG1 3.3Å; L251-I255 PolarHBondContact O-N 3.49Å; N252-I255 PolarHBondContact O-N 3.14Å; I255-Q257 VanDerWaalsContact C-N 3.3Å; I255-Q257 PolarHBondContact O-N 2.9Å; I255-L258 PolarHBondContact O-N 3.47Å; I255-L258 VanDerWaalsContact O-N 3.11Å; I255-E259 HydrophobicContact CG2-CG 4.39Å; I255-E259 WeakPolarHBondContact O-CG 3.29Å; I255-E259 PolarHBondContact O-N 2.95Å |
| 256 | L | 96.4 | Very high | 96.1 | Very high | 110 Ų | 110 | 98.4 Ų | 98.4 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.1 | -36.9 | 178.6 | -70.8 | 170.6 | 0 | 0 | 0 | 113 | N252 Q253 A260 | N252-L256 WeakPolarHBondContact O-CG 3.37Å; N252-L256 PolarHBondContact O-N 2.95Å; Q253-L256 PolarHBondContact O-N 3.41Å; L256-A260 WeakPolarHBondContact O-CB 3.44Å; L256-A260 PolarHBondContact O-N 2.92Å |
| 257 | Q | 95.9 | Very high | 95.9 | Very high | 97 Ų | 97 | 97.1 Ų | 97.1 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -49.6 | 173.3 | -173.7 | -175.2 | 23.2 | 0 | 0 | 111 | Q253 K254 I255 E259 A260 D261 | Q253-Q257 WeakPolarHBondContact O-CB 3.37Å; Q253-Q257 PolarHBondContact O-N 2.87Å; K254-Q257 PolarHBondContact O-N 2.87Å; I255-Q257 VanDerWaalsContact C-N 3.3Å; I255-Q257 PolarHBondContact O-N 2.9Å; Q257-E259 VanDerWaalsContact C-N 3.3Å; Q257-E259 PolarHBondContact O-N 3.32Å; Q257-A260 PolarHBondContact O-N 3.45Å; Q257-A260 VanDerWaalsContact O-N 3.13Å; Q257-D261 VanDerWaalsContact O-CG 3.29Å; Q257-D261 PolarHBondContact O-N 2.84Å |
| 258 | L | 96 | Very high | 95.7 | Very high | 95 Ų | 95 | 99 Ų | 99 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 179.9 | -70.7 | 168.9 | 0 | 0 | 0 | 112 | K254 I255 L262 | K254-L258 HydrophobicContact CG-CD1 4.23Å; K254-L258 WeakPolarHBondContact O-CB 3.32Å; K254-L258 VanDerWaalsContact O-CG 3.24Å; K254-L258 WeakPolarHBondContact O-CG 3.29Å; K254-L258 PolarHBondContact O-N 3Å; I255-L258 PolarHBondContact O-N 3.47Å; I255-L258 VanDerWaalsContact O-N 3.11Å; L258-L262 WeakPolarHBondContact O-CB 3.45Å; L258-L262 PolarHBondContact O-N 2.84Å |
| 259 | E | 96.2 | Very high | 95.6 | Very high | 112 Ų | 112 | 97 Ų | 97 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 172.7 | -72.6 | 175.9 | 170.5 | 0 | 0 | 112.3 | I255 Q257 K263 | I255-E259 HydrophobicContact CG2-CG 4.39Å; I255-E259 WeakPolarHBondContact O-CG 3.29Å; I255-E259 PolarHBondContact O-N 2.95Å; Q257-E259 VanDerWaalsContact C-N 3.3Å; Q257-E259 PolarHBondContact O-N 3.32Å; E259-K263 WeakPolarHBondContact O-CB 3.4Å; E259-K263 PolarHBondContact O-N 3.17Å |
| 260 | A | 95 | Very high | 95.4 | Very high | 48 Ų | 48 | 97.9 Ų | 97.9 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -46.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L256 Q257 L262 K263 I264 | L256-A260 WeakPolarHBondContact O-CB 3.44Å; L256-A260 PolarHBondContact O-N 2.92Å; Q257-A260 PolarHBondContact O-N 3.45Å; Q257-A260 VanDerWaalsContact O-N 3.13Å; A260-L262 VanDerWaalsContact C-N 3.31Å; A260-L262 PolarHBondContact O-N 2.87Å; A260-K263 PolarHBondContact O-N 3.1Å; A260-K263 VanDerWaalsContact O-N 3.15Å; A260-I264 WeakPolarHBondContact O-CG1 3.38Å; A260-I264 PolarHBondContact O-N 3.4Å |
| 261 | D | 95.2 | Very high | 95.2 | Very high | 71 Ų | 71 | 96.1 Ų | 96.1 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 176.8 | -66.3 | -21.2 | 0 | 0 | 0 | 111.1 | Q257 I264 S265 | Q257-D261 VanDerWaalsContact O-CG 3.29Å; Q257-D261 PolarHBondContact O-N 2.84Å; D261-I264 PolarHBondContact O-N 3.08Å; D261-S265 WeakPolarHBondContact O-CB 3.47Å; D261-S265 PolarHBondContact O-N 3.25Å; D261-S265 PolarHBondContact O-OG 3.35Å |
| 262 | L | 95.7 | Very high | 94.9 | Very high | 98 Ų | 98 | 96.6 Ų | 96.6 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 173.1 | -178.5 | 157.1 | 0 | 0 | 0 | 111.3 | L258 A260 S265 Q266 | L258-L262 WeakPolarHBondContact O-CB 3.45Å; L258-L262 PolarHBondContact O-N 2.84Å; A260-L262 VanDerWaalsContact C-N 3.31Å; A260-L262 PolarHBondContact O-N 2.87Å; L262-S265 PolarHBondContact O-N 3.24Å; L262-Q266 HydrophobicContact CD2-CG 4.26Å; L262-Q266 WeakPolarHBondContact O-CB 3.33Å; L262-Q266 WeakPolarHBondContact O-CG 3.49Å; L262-Q266 PolarHBondContact O-N 2.84Å |
| 263 | K | 95.7 | Very high | 94.8 | Very high | 151 Ų | 151 | 98.5 Ų | 98.5 | 66% | 0.657 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -38.4 | 177.6 | -174.2 | 176.1 | -179.4 | 178.1 | 0 | 112.6 | E259 A260 Q266 S267 | E259-K263 WeakPolarHBondContact O-CB 3.4Å; E259-K263 PolarHBondContact O-N 3.17Å; A260-K263 PolarHBondContact O-N 3.1Å; A260-K263 VanDerWaalsContact O-N 3.15Å; K263-Q266 PolarHBondContact O-N 3.42Å; K263-S267 PolarHBondContact O-N 2.9Å |
| 264 | I | 94.5 | Very high | 94.6 | Very high | 88 Ų | 88 | 94.7 Ų | 94.7 | 45% | 0.451 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -51.9 | 173 | -68.5 | 165.3 | 0 | 0 | 0 | 109.2 | A260 D261 Q266 S267 E268 | A260-I264 WeakPolarHBondContact O-CG1 3.38Å; A260-I264 PolarHBondContact O-N 3.4Å; D261-I264 PolarHBondContact O-N 3.08Å; I264-Q266 VanDerWaalsContact C-N 3.28Å; I264-Q266 PolarHBondContact O-N 2.95Å; I264-S267 PolarHBondContact O-N 2.95Å; I264-S267 PolarHBondContact O-OG 3.21Å; I264-E268 HydrophobicContact CG2-CG 4.34Å; I264-E268 PolarHBondContact O-N 2.71Å |
| 265 | S | 92.9 | Very high | 94.4 | Very high | 69 Ų | 69 | 95.2 Ų | 95.2 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.3 | -38.9 | 179.2 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | D261 L262 L269 | D261-S265 WeakPolarHBondContact O-CB 3.47Å; D261-S265 PolarHBondContact O-N 3.25Å; D261-S265 PolarHBondContact O-OG 3.35Å; L262-S265 PolarHBondContact O-N 3.24Å; S265-L269 VanDerWaalsContact O-CB 3.22Å; S265-L269 WeakPolarHBondContact O-CB 3.42Å; S265-L269 PolarHBondContact O-N 3.24Å |
| 266 | Q | 95.8 | Very high | 94.2 | Very high | 107 Ų | 107 | 96.3 Ų | 96.3 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 172.6 | -76.8 | 176.9 | -19.1 | 0 | 0 | 112 | L262 K263 I264 E268 L269 E270 | L262-Q266 HydrophobicContact CD2-CG 4.26Å; L262-Q266 WeakPolarHBondContact O-CB 3.33Å; L262-Q266 WeakPolarHBondContact O-CG 3.49Å; L262-Q266 PolarHBondContact O-N 2.84Å; K263-Q266 PolarHBondContact O-N 3.42Å; I264-Q266 VanDerWaalsContact C-N 3.28Å; I264-Q266 PolarHBondContact O-N 2.95Å; Q266-E268 PolarHBondContact O-N 2.76Å; Q266-L269 PolarHBondContact O-N 3.07Å; Q266-E270 WeakPolarHBondContact O-CG 3.46Å; Q266-E270 PolarHBondContact O-N 3.17Å |
| 267 | S | 93.2 | Very high | 94 | Very high | 62 Ų | 62 | 93.6 Ų | 93.6 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.4 | -34.3 | 179.1 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | K263 I264 S271 | K263-S267 PolarHBondContact O-N 2.9Å; I264-S267 PolarHBondContact O-N 2.95Å; I264-S267 PolarHBondContact O-OG 3.21Å; S267-S271 VanDerWaalsContact O-CB 3.25Å; S267-S271 WeakPolarHBondContact O-CB 3.18Å; S267-S271 PolarHBondContact O-N 2.88Å |
| 268 | E | 94 | Very high | 93.7 | Very high | 120 Ų | 120 | 94.5 Ų | 94.5 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.5 | -42.7 | 172.6 | -70.9 | -177.3 | 168.2 | 0 | 0 | 111.1 | I264 Q266 E270 S271 M272 | I264-E268 HydrophobicContact CG2-CG 4.34Å; I264-E268 PolarHBondContact O-N 2.71Å; Q266-E268 PolarHBondContact O-N 2.76Å; E268-E270 PolarHBondContact O-N 2.95Å; E268-S271 PolarHBondContact O-N 3.43Å; E268-M272 WeakPolarHBondContact O-CB 3.37Å; E268-M272 VanDerWaalsContact O-CG 3.3Å; E268-M272 WeakPolarHBondContact O-CG 3.4Å; E268-M272 PolarHBondContact O-N 3Å |
| 269 | L | 92.8 | Very high | 93.5 | Very high | 95 Ų | 95 | 96.2 Ų | 96.2 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 176.4 | -178.5 | 144 | 0 | 0 | 0 | 112.1 | S265 Q266 K273 | S265-L269 VanDerWaalsContact O-CB 3.22Å; S265-L269 WeakPolarHBondContact O-CB 3.42Å; S265-L269 PolarHBondContact O-N 3.24Å; Q266-L269 PolarHBondContact O-N 3.07Å; L269-K273 HydrophobicContact CD2-CD 3.98Å; L269-K273 VanDerWaalsContact CD2-CE 3.47Å; L269-K273 WeakPolarHBondContact O-CB 3.44Å; L269-K273 VanDerWaalsContact O-CG 3.25Å; L269-K273 WeakPolarHBondContact O-CG 3.46Å; L269-K273 PolarHBondContact O-N 3.14Å |
| 270 | E | 93.5 | Very high | 93.3 | Very high | 132 Ų | 132 | 95.4 Ų | 95.4 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.7 | -43.7 | 171.1 | -73.6 | 177.9 | 175.8 | 0 | 0 | 112.2 | Q266 E268 M272 K273 A274 | Q266-E270 WeakPolarHBondContact O-CG 3.46Å; Q266-E270 PolarHBondContact O-N 3.17Å; E268-E270 PolarHBondContact O-N 2.95Å; E270-M272 PolarHBondContact O-N 2.89Å; E270-K273 PolarHBondContact O-N 3.46Å; E270-A274 WeakPolarHBondContact O-CB 3.43Å; E270-A274 PolarHBondContact O-N 3.13Å |
| 271 | S | 92.3 | Very high | 93.1 | Very high | 56 Ų | 56 | 95.3 Ų | 95.3 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | S267 E268 A274 K275 | S267-S271 VanDerWaalsContact O-CB 3.25Å; S267-S271 WeakPolarHBondContact O-CB 3.18Å; S267-S271 PolarHBondContact O-N 2.88Å; E268-S271 PolarHBondContact O-N 3.43Å; S271-A274 PolarHBondContact O-N 2.91Å; S271-K275 WeakPolarHBondContact O-CG 3.24Å; S271-K275 PolarHBondContact O-N 3.43Å |
| 272 | M | 91.6 | Very high | 92.7 | Very high | 115 Ų | 115 | 94.7 Ų | 94.7 | 57% | 0.567 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.7 | -40.3 | 175.2 | -73 | -60.5 | -67.1 | 0 | 0 | 111.9 | E268 E270 A274 K275 Q276 | E268-M272 WeakPolarHBondContact O-CB 3.37Å; E268-M272 VanDerWaalsContact O-CG 3.3Å; E268-M272 WeakPolarHBondContact O-CG 3.4Å; E268-M272 PolarHBondContact O-N 3Å; E270-M272 PolarHBondContact O-N 2.89Å; M272-A274 VanDerWaalsContact C-N 3.34Å; M272-A274 PolarHBondContact O-N 2.89Å; M272-K275 PolarHBondContact O-N 3.45Å; M272-K275 HydrophobicContact SD-CD 4.14Å; M272-Q276 VanDerWaalsContact O-CB 3.29Å; M272-Q276 WeakPolarHBondContact O-CB 3.49Å; M272-Q276 PolarHBondContact O-N 3.42Å |
| 273 | K | 94.5 | Very high | 92.5 | Very high | 125 Ų | 125 | 96.1 Ų | 96.1 | 54% | 0.543 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 170.9 | -76.9 | 171.5 | 177.9 | 179.3 | 0 | 112.1 | L269 E270 Q276 A277 | L269-K273 HydrophobicContact CD2-CD 3.98Å; L269-K273 VanDerWaalsContact CD2-CE 3.47Å; L269-K273 WeakPolarHBondContact O-CB 3.44Å; L269-K273 VanDerWaalsContact O-CG 3.25Å; L269-K273 WeakPolarHBondContact O-CG 3.46Å; L269-K273 PolarHBondContact O-N 3.14Å; E270-K273 PolarHBondContact O-N 3.46Å; K273-Q276 PolarHBondContact O-N 3.44Å; K273-A277 WeakPolarHBondContact O-CB 3.38Å; K273-A277 PolarHBondContact O-N 3.46Å |
| 274 | A | 92 | Very high | 92.3 | Very high | 51 Ų | 51 | 95.1 Ų | 95.1 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E270 S271 M272 A277 N278 | E270-A274 WeakPolarHBondContact O-CB 3.43Å; E270-A274 PolarHBondContact O-N 3.13Å; S271-A274 PolarHBondContact O-N 2.91Å; M272-A274 VanDerWaalsContact C-N 3.34Å; M272-A274 PolarHBondContact O-N 2.89Å; A274-A277 PolarHBondContact O-N 3.42Å; A274-N278 WeakPolarHBondContact O-CB 3.48Å; A274-N278 PolarHBondContact O-N 3.44Å |
| 275 | K | 92.4 | Very high | 92.1 | Very high | 110 Ų | 110 | 93.7 Ų | 93.7 | 48% | 0.478 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -49.4 | 170.9 | -75.9 | 175.3 | -178.5 | 176.8 | 0 | 111.4 | S271 M272 A277 N278 E279 | S271-K275 WeakPolarHBondContact O-CG 3.24Å; S271-K275 PolarHBondContact O-N 3.43Å; M272-K275 PolarHBondContact O-N 3.45Å; M272-K275 HydrophobicContact SD-CD 4.14Å; K275-A277 VanDerWaalsContact C-N 3.29Å; K275-A277 PolarHBondContact O-N 3.03Å; K275-N278 CarbonylContact O-C 3.59Å; K275-N278 PolarHBondContact O-N 2.91Å; K275-N278 VanDerWaalsContact O-N 3.11Å; K275-E279 WeakPolarHBondContact O-CB 3.08Å; K275-E279 WeakPolarHBondContact O-CG 3.34Å; K275-E279 PolarHBondContact O-N 3.28Å |
| 276 | Q | 92.7 | Very high | 91.9 | Very high | 111 Ų | 111 | 93.4 Ų | 93.4 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.2 | -41 | 177.1 | -171.6 | -177.6 | 24.2 | 0 | 0 | 111.7 | M272 K273 Q280 | M272-Q276 VanDerWaalsContact O-CB 3.29Å; M272-Q276 WeakPolarHBondContact O-CB 3.49Å; M272-Q276 PolarHBondContact O-N 3.42Å; K273-Q276 PolarHBondContact O-N 3.44Å; Q276-Q280 WeakPolarHBondContact O-CB 3.22Å; Q276-Q280 VanDerWaalsContact O-CG 3.27Å; Q276-Q280 WeakPolarHBondContact O-CG 3.42Å; Q276-Q280 PolarHBondContact O-N 3.08Å |
| 277 | A | 91.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 93.9 Ų | 93.9 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K273 A274 K275 Q280 A281 | K273-A277 WeakPolarHBondContact O-CB 3.38Å; K273-A277 PolarHBondContact O-N 3.46Å; A274-A277 PolarHBondContact O-N 3.42Å; K275-A277 VanDerWaalsContact C-N 3.29Å; K275-A277 PolarHBondContact O-N 3.03Å; A277-Q280 PolarHBondContact O-N 3.34Å; A277-A281 WeakPolarHBondContact O-CB 3.45Å; A277-A281 PolarHBondContact O-N 3.26Å |
| 278 | N | 90.7 | Very high | 91.4 | Very high | 115 Ų | 115 | 96.6 Ų | 96.6 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.3 | -40.8 | 176.1 | -78.3 | -19.5 | 0 | 0 | 0 | 112.5 | A274 K275 A281 A282 | A274-N278 WeakPolarHBondContact O-CB 3.48Å; A274-N278 PolarHBondContact O-N 3.44Å; K275-N278 CarbonylContact O-C 3.59Å; K275-N278 PolarHBondContact O-N 2.91Å; K275-N278 VanDerWaalsContact O-N 3.11Å; N278-A281 PolarHBondContact O-N 2.93Å; N278-A282 VanDerWaalsContact O-CB 3.3Å; N278-A282 WeakPolarHBondContact O-CB 3.25Å; N278-A282 PolarHBondContact O-N 3.06Å |
| 279 | E | 90.6 | Very high | 91.1 | Very high | 131 Ų | 131 | 99.8 Ų | 99.8 | 61% | 0.612 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -42 | 174 | -74.9 | 170.3 | -168 | 0 | 0 | 110.9 | K275 A281 A282 L283 | K275-E279 WeakPolarHBondContact O-CB 3.08Å; K275-E279 WeakPolarHBondContact O-CG 3.34Å; K275-E279 PolarHBondContact O-N 3.28Å; E279-A281 VanDerWaalsContact C-N 3.34Å; E279-A281 PolarHBondContact O-N 3.42Å; E279-A282 PolarHBondContact O-N 2.94Å; E279-L283 WeakPolarHBondContact O-CB 3.38Å; E279-L283 PolarHBondContact O-N 2.91Å |
| 280 | Q | 91.7 | Very high | 90.8 | Very high | 96 Ų | 96 | 97.2 Ų | 97.2 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 171.7 | -75.4 | -178.7 | 15.2 | 0 | 0 | 112.4 | Q276 A277 K284 | Q276-Q280 WeakPolarHBondContact O-CB 3.22Å; Q276-Q280 VanDerWaalsContact O-CG 3.27Å; Q276-Q280 WeakPolarHBondContact O-CG 3.42Å; Q276-Q280 PolarHBondContact O-N 3.08Å; A277-Q280 PolarHBondContact O-N 3.34Å; Q280-K284 WeakPolarHBondContact O-CB 3.39Å; Q280-K284 WeakPolarHBondContact O-CD 3.38Å; Q280-K284 WeakPolarHBondContact O-CG 3.45Å; Q280-K284 PolarHBondContact O-N 2.84Å |
| 281 | A | 90.4 | Very high | 90.5 | Very high | 46 Ų | 46 | 95 Ų | 95 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.7 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A277 N278 E279 K284 T285 | A277-A281 WeakPolarHBondContact O-CB 3.45Å; A277-A281 PolarHBondContact O-N 3.26Å; N278-A281 PolarHBondContact O-N 2.93Å; E279-A281 VanDerWaalsContact C-N 3.34Å; E279-A281 PolarHBondContact O-N 3.42Å; A281-K284 PolarHBondContact O-N 2.85Å; A281-T285 WeakPolarHBondContact O-CB 3.44Å; A281-T285 PolarHBondContact O-N 3.5Å; A281-T285 PolarHBondContact O-OG1 3.29Å |
| 282 | A | 88.4 | Confident | 90.1 | Very high | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N278 E279 T285 A286 | N278-A282 VanDerWaalsContact O-CB 3.3Å; N278-A282 WeakPolarHBondContact O-CB 3.25Å; N278-A282 PolarHBondContact O-N 3.06Å; E279-A282 PolarHBondContact O-N 2.94Å; A282-T285 CarbonylContact O-C 3.59Å; A282-T285 PolarHBondContact O-N 2.89Å; A282-T285 VanDerWaalsContact O-N 3.17Å; A282-A286 WeakPolarHBondContact O-CB 3.25Å; A282-A286 PolarHBondContact O-N 2.71Å |
| 283 | L | 90 | Very high | 89.7 | Confident | 127 Ų | 127 | 93.3 Ų | 93.3 | 67% | 0.665 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60 | -46.9 | 173.4 | -173.9 | 75.9 | 0 | 0 | 0 | 111 | E279 T285 A286 L287 | E279-L283 WeakPolarHBondContact O-CB 3.38Å; E279-L283 PolarHBondContact O-N 2.91Å; L283-T285 VanDerWaalsContact C-N 3.3Å; L283-T285 PolarHBondContact O-N 3.18Å; L283-A286 PolarHBondContact O-N 3.49Å; L283-L287 VanDerWaalsContact O-CB 3.23Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 PolarHBondContact O-N 3.37Å |
| 284 | K | 92.3 | Very high | 89.1 | Confident | 131 Ų | 131 | 92.4 Ų | 92.4 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.3 | -41.6 | 173.1 | -76.7 | 168.4 | -178 | 175.4 | 0 | 111.6 | Q280 A281 L287 M288 | Q280-K284 WeakPolarHBondContact O-CB 3.39Å; Q280-K284 WeakPolarHBondContact O-CD 3.38Å; Q280-K284 WeakPolarHBondContact O-CG 3.45Å; Q280-K284 PolarHBondContact O-N 2.84Å; A281-K284 PolarHBondContact O-N 2.85Å; K284-L287 PolarHBondContact O-N 2.99Å; K284-M288 WeakPolarHBondContact O-CG 3.18Å; K284-M288 PolarHBondContact O-N 3.38Å |
| 285 | T | 90.3 | Very high | 88.6 | Confident | 58 Ų | 58 | 94.5 Ų | 94.5 | 36% | 0.356 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.9 | -40.5 | 179.5 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | A281 A282 L283 M288 R289 | A281-T285 WeakPolarHBondContact O-CB 3.44Å; A281-T285 PolarHBondContact O-N 3.5Å; A281-T285 PolarHBondContact O-OG1 3.29Å; A282-T285 CarbonylContact O-C 3.59Å; A282-T285 PolarHBondContact O-N 2.89Å; A282-T285 VanDerWaalsContact O-N 3.17Å; L283-T285 VanDerWaalsContact C-N 3.3Å; L283-T285 PolarHBondContact O-N 3.18Å; T285-M288 PolarHBondContact O-N 3.3Å; T285-R289 WeakPolarHBondContact O-CB 3.27Å; T285-R289 WeakPolarHBondContact O-CG 3.29Å; T285-R289 PolarHBondContact O-N 2.89Å |
| 286 | A | 88.9 | Confident | 87.9 | Confident | 62 Ų | 62 | 95.6 Ų | 95.6 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A282 L283 R289 G290 | A282-A286 WeakPolarHBondContact O-CB 3.25Å; A282-A286 PolarHBondContact O-N 2.71Å; L283-A286 PolarHBondContact O-N 3.49Å; A286-R289 PolarHBondContact O-N 2.89Å; A286-G290 PolarHBondContact O-N 2.86Å |
| 287 | L | 89.7 | Confident | 86.8 | Confident | 117 Ų | 117 | 96.5 Ų | 96.5 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.2 | -48.8 | 172.2 | -176.7 | 66.9 | 0 | 0 | 0 | 111.1 | L283 K284 R289 G290 V291 | L283-L287 VanDerWaalsContact O-CB 3.23Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 PolarHBondContact O-N 3.37Å; K284-L287 PolarHBondContact O-N 2.99Å; L287-R289 VanDerWaalsContact C-N 3.32Å; L287-R289 PolarHBondContact O-N 3.36Å; L287-G290 PolarHBondContact O-N 3.44Å; L287-V291 HydrophobicContact CD1-CG2 4.45Å; L287-V291 WeakPolarHBondContact O-CB 3.48Å; L287-V291 VanDerWaalsContact O-CG2 3.29Å; L287-V291 WeakPolarHBondContact O-CG2 3.41Å; L287-V291 PolarHBondContact O-N 2.66Å |
| 288 | M | 89 | Confident | 86 | Confident | 120 Ų | 120 | 96.6 Ų | 96.6 | 59% | 0.591 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.8 | -42 | 174.9 | -73.7 | -164.1 | -47.5 | 0 | 0 | 112.1 | K284 T285 V291 C292 | K284-M288 WeakPolarHBondContact O-CG 3.18Å; K284-M288 PolarHBondContact O-N 3.38Å; T285-M288 PolarHBondContact O-N 3.3Å; M288-V291 PolarHBondContact O-N 3Å; M288-C292 WeakPolarHBondContact O-CB 3.3Å; M288-C292 PolarHBondContact O-N 3.05Å; M288-C292 PolarHBondContact O-SG 2.87Å |
| 289 | R | 87.9 | Confident | 84.7 | Confident | 186 Ų | 186 | 95 Ų | 95 | 70% | 0.702 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | 175.7 | -76.4 | 179.4 | -179.6 | 168.6 | 0.8 | 112.1 | T285 A286 L287 C292 A293 | T285-R289 WeakPolarHBondContact O-CB 3.27Å; T285-R289 WeakPolarHBondContact O-CG 3.29Å; T285-R289 PolarHBondContact O-N 2.89Å; A286-R289 PolarHBondContact O-N 2.89Å; L287-R289 VanDerWaalsContact C-N 3.32Å; L287-R289 PolarHBondContact O-N 3.36Å; R289-C292 PolarHBondContact O-N 3.13Å; R289-A293 WeakPolarHBondContact O-CB 3.39Å; R289-A293 PolarHBondContact O-N 3.4Å |
| 290 | G | 85.8 | Confident | 83.3 | Confident | 41 Ų | 41 | 91 Ų | 91 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A286 L287 A293 L294 | A286-G290 PolarHBondContact O-N 2.86Å; L287-G290 PolarHBondContact O-N 3.44Å; G290-A293 PolarHBondContact O-N 3.11Å; G290-L294 WeakPolarHBondContact O-CB 3.45Å; G290-L294 PolarHBondContact O-N 3.31Å |
| 291 | V | 87.4 | Confident | 81.8 | Confident | 87 Ų | 87 | 91.6 Ų | 91.6 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 175 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | L287 M288 N295 | L287-V291 HydrophobicContact CD1-CG2 4.45Å; L287-V291 WeakPolarHBondContact O-CB 3.48Å; L287-V291 VanDerWaalsContact O-CG2 3.29Å; L287-V291 WeakPolarHBondContact O-CG2 3.41Å; L287-V291 PolarHBondContact O-N 2.66Å; M288-V291 PolarHBondContact O-N 3Å; V291-N295 WeakPolarHBondContact O-CB 3.33Å; V291-N295 PolarHBondContact O-N 3.45Å |
| 292 | C | 83.4 | Confident | 80.3 | Confident | 76 Ų | 76 | 96 Ų | 96 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69 | -37.4 | 176.4 | -72.3 | 0 | 0 | 0 | 0 | 113 | M288 R289 N295 M296 | M288-C292 WeakPolarHBondContact O-CB 3.3Å; M288-C292 PolarHBondContact O-N 3.05Å; M288-C292 PolarHBondContact O-SG 2.87Å; R289-C292 PolarHBondContact O-N 3.13Å; C292-N295 PolarHBondContact O-N 2.91Å; C292-M296 WeakPolarHBondContact O-CB 3.33Å; C292-M296 VanDerWaalsContact O-CG 3.25Å; C292-M296 WeakPolarHBondContact O-CG 3.3Å; C292-M296 PolarHBondContact O-N 3.01Å |
| 293 | A | 83.1 | Confident | 78.8 | Confident | 58 Ų | 58 | 99.3 Ų | 99.3 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.8 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R289 G290 N295 M296 E297 | R289-A293 WeakPolarHBondContact O-CB 3.39Å; R289-A293 PolarHBondContact O-N 3.4Å; G290-A293 PolarHBondContact O-N 3.11Å; A293-N295 VanDerWaalsContact C-N 3.29Å; A293-N295 PolarHBondContact O-N 3.4Å; A293-M296 PolarHBondContact O-N 3.48Å; A293-M296 VanDerWaalsContact O-N 3.16Å; A293-E297 WeakPolarHBondContact O-CB 3.4Å; A293-E297 PolarHBondContact O-N 2.98Å |
| 294 | L | 82.7 | Confident | 77 | Confident | 107 Ų | 107 | 101.8 Ų | 101.8 | 56% | 0.56 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.7 | -41.4 | 172.9 | -178.6 | 65.2 | 0 | 0 | 0 | 111.3 | G290 E297 T298 | G290-L294 WeakPolarHBondContact O-CB 3.45Å; G290-L294 PolarHBondContact O-N 3.31Å; L294-E297 PolarHBondContact O-N 3.44Å; L294-T298 WeakPolarHBondContact O-CB 3.35Å; L294-T298 PolarHBondContact O-N 3.36Å; L294-T298 PolarHBondContact O-OG1 2.92Å |
| 295 | N | 81.5 | Confident | 74.7 | Confident | 94 Ų | 94 | 100.2 Ų | 100.2 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.5 | -40.9 | 175.8 | -172.3 | 62.4 | 0 | 0 | 0 | 112 | V291 C292 A293 M299 | V291-N295 WeakPolarHBondContact O-CB 3.33Å; V291-N295 PolarHBondContact O-N 3.45Å; C292-N295 PolarHBondContact O-N 2.91Å; A293-N295 VanDerWaalsContact C-N 3.29Å; A293-N295 PolarHBondContact O-N 3.4Å; N295-M299 WeakPolarHBondContact O-CB 3.39Å; N295-M299 WeakPolarHBondContact O-CG 3.23Å; N295-M299 PolarHBondContact O-N 3.18Å |
| 296 | M | 77.2 | Confident | 72.4 | Confident | 134 Ų | 134 | 104.1 Ų | 104.1 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.4 | -41.6 | 175 | -77.4 | -71.8 | -64.8 | 0 | 0 | 112.4 | C292 A293 M299 A300 | C292-M296 WeakPolarHBondContact O-CB 3.33Å; C292-M296 VanDerWaalsContact O-CG 3.25Å; C292-M296 WeakPolarHBondContact O-CG 3.3Å; C292-M296 PolarHBondContact O-N 3.01Å; A293-M296 PolarHBondContact O-N 3.48Å; A293-M296 VanDerWaalsContact O-N 3.16Å; M296-M299 CarbonylContact O-C 3.59Å; M296-M299 PolarHBondContact O-N 2.75Å; M296-A300 WeakPolarHBondContact O-CB 3.46Å; M296-A300 PolarHBondContact O-N 3.29Å |
| 297 | E | 71.2 | Confident | 69.6 | Low | 130 Ų | 130 | 106.6 Ų | 106.6 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.4 | -42 | 177.1 | -169.7 | 170.1 | -135.3 | 0 | 0 | 110.6 | A293 L294 M299 A300 V301 | A293-E297 WeakPolarHBondContact O-CB 3.4Å; A293-E297 PolarHBondContact O-N 2.98Å; L294-E297 PolarHBondContact O-N 3.44Å; E297-M299 PolarHBondContact O-N 2.93Å; E297-A300 PolarHBondContact O-N 2.89Å; E297-V301 WeakPolarHBondContact O-CG2 3.2Å; E297-V301 PolarHBondContact O-N 3.15Å |
| 298 | T | 73 | Confident | 67.1 | Low | 55 Ų | 55 | 107.5 Ų | 107.5 | 34% | 0.337 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -57.9 | -47.6 | 170.1 | -58.6 | 0 | 0 | 0 | 0 | 111 | L294 A300 F302 | L294-T298 WeakPolarHBondContact O-CB 3.35Å; L294-T298 PolarHBondContact O-N 3.36Å; L294-T298 PolarHBondContact O-OG1 2.92Å; T298-A300 PolarHBondContact O-N 2.9Å; T298-F302 HydrophobicContact CG2-CD2 3.78Å; T298-F302 HydrophobicContact CG2-CE2 3.5Å; T298-F302 VanDerWaalsContact CG2-CE2 3.5Å; T298-F302 WeakPolarHBondContact O-CD2 3.33Å; T298-F302 PolarHBondContact O-N 3.44Å; T298-F302 VanDerWaalsContact O-N 3.1Å |
| 299 | M | 64.8 | Low | 64.9 | Low | 82 Ų | 82 | 110.1 Ų | 110.1 | 40% | 0.404 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.2 | -34 | 176 | -70.8 | -64.9 | 105.8 | 0 | 0 | 112.9 | N295 M296 E297 F302 N303 | N295-M299 WeakPolarHBondContact O-CB 3.39Å; N295-M299 WeakPolarHBondContact O-CG 3.23Å; N295-M299 PolarHBondContact O-N 3.18Å; M296-M299 CarbonylContact O-C 3.59Å; M296-M299 PolarHBondContact O-N 2.75Å; E297-M299 PolarHBondContact O-N 2.93Å; M299-F302 HydrophobicContact CE-CD2 4.18Å; M299-F302 CarbonylContact O-C 3.58Å; M299-F302 PolarHBondContact O-N 2.88Å; M299-N303 VanDerWaalsContact O-CB 3.26Å; M299-N303 WeakPolarHBondContact O-CB 3.29Å; M299-N303 PolarHBondContact O-N 3.28Å; M299-N303 PolarHBondContact O-ND2 2.89Å |
| 300 | A | 61.7 | Low | 62.3 | Low | 47 Ų | 47 | 108 Ų | 108 | 39% | 0.388 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.9 | -46.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | M296 E297 T298 F302 N303 E304 | M296-A300 WeakPolarHBondContact O-CB 3.46Å; M296-A300 PolarHBondContact O-N 3.29Å; E297-A300 PolarHBondContact O-N 2.89Å; T298-A300 PolarHBondContact O-N 2.9Å; A300-F302 PolarHBondContact O-N 3.49Å; A300-N303 PolarHBondContact O-N 2.87Å; A300-E304 PolarHBondContact O-N 2.88Å; A300-E304 VanDerWaalsContact O-N 3.14Å |
| 301 | V | 59.3 | Low | 59.8 | Low | 107 Ų | 107 | 114.6 Ų | 114.6 | 65% | 0.648 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57.5 | -34.4 | 173.1 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | E297 | E297-V301 WeakPolarHBondContact O-CG2 3.2Å; E297-V301 PolarHBondContact O-N 3.15Å |
| 302 | F | 59.1 | Low | 57.5 | Low | 139 Ų | 139 | 118.2 Ų | 118.2 | 61% | 0.61 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -82.4 | -12.1 | 174.9 | -72.5 | -53.4 | 0 | 0 | 0 | 115.5 | T298 M299 A300 | T298-F302 HydrophobicContact CG2-CD2 3.78Å; T298-F302 HydrophobicContact CG2-CE2 3.5Å; T298-F302 VanDerWaalsContact CG2-CE2 3.5Å; T298-F302 WeakPolarHBondContact O-CD2 3.33Å; T298-F302 PolarHBondContact O-N 3.44Å; T298-F302 VanDerWaalsContact O-N 3.1Å; M299-F302 HydrophobicContact CE-CD2 4.18Å; M299-F302 CarbonylContact O-C 3.58Å; M299-F302 PolarHBondContact O-N 2.88Å; A300-F302 PolarHBondContact O-N 3.49Å |
| 303 | N | 57.5 | Low | 55.5 | Low | 127 Ų | 127 | 124.7 Ų | 124.7 | 68% | 0.679 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -106.2 | -20.1 | -175.3 | -76.5 | -34.7 | 0 | 0 | 0 | 114.4 | M299 A300 T305 | M299-N303 VanDerWaalsContact O-CB 3.26Å; M299-N303 WeakPolarHBondContact O-CB 3.29Å; M299-N303 PolarHBondContact O-N 3.28Å; M299-N303 PolarHBondContact O-ND2 2.89Å; A300-N303 PolarHBondContact O-N 2.87Å; N303-T305 VanDerWaalsContact C-N 3.29Å; N303-T305 PolarHBondContact O-N 3.5Å |
| 304 | E | 51.9 | Low | 53.3 | Low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -80.4 | -4.4 | 177.9 | -70.6 | -167.4 | 161.1 | 0 | 0 | 114.2 | A300 | A300-E304 PolarHBondContact O-N 2.88Å; A300-E304 VanDerWaalsContact O-N 3.14Å |
| 305 | T | 43.6 | Very low | 51.1 | Low | 98 Ų | 98 | 129.5 Ų | 129.5 | 60% | 0.601 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -137.5 | 131.4 | 174.9 | -36.8 | 0 | 0 | 0 | 0 | 110.8 | N303 | N303-T305 VanDerWaalsContact C-N 3.29Å; N303-T305 PolarHBondContact O-N 3.5Å |
| 306 | L | 41.5 | Very low | 49.2 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | trans | 70.6 | 98.8 | -179.5 | -60.1 | 107.7 | 0 | 0 | 0 | 117.6 | ||||
| 307 | P | 31.2 | Very low | 47.2 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -67.8 | 146.8 | 142.5 | 32.6 | -32.5 | 0 | 0 | 0 | 109.3 | ||
| 308 | N | 36.8 | Very low | 45.4 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | trans | 74.2 | 94.5 | -171.9 | -46.5 | -51.8 | 0 | 0 | 0 | 115.1 | ||||
| 309 | L | 42.2 | Very low | 43.4 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | -146.6 | 125.7 | 99.2 | -130.9 | 74.6 | 0 | 0 | 0 | 111 | |||||
| 310 | N | 34.1 | Very low | 42.2 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | -98.4 | 138.3 | -178.3 | -157 | -15.7 | 0 | 0 | 0 | 108.1 | ||||
| 311 | K | 34 | Very low | 40.7 | Very low | 180 Ų | 180 | 147.6 Ų | 147.6 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | 78.7 | 153.8 | 168.7 | -49.1 | 173.6 | 178.4 | 176.7 | 0 | 118.2 | ||||
| 312 | E | 38 | Very low | 39.5 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | 73.7 | 79.1 | 163.9 | -58.4 | -168.3 | 146.6 | 0 | 0 | 119.9 | ||||
| 313 | F | 42.5 | Very low | 38.2 | Very low | 211 Ų | 211 | 147.2 Ų | 147.2 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | trans | -164.9 | 79 | 134.5 | -96.4 | -69.8 | 0 | 0 | 0 | 107 | ||||
| 314 | L | 35.2 | Very low | 37.2 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | 38.1 | 121.3 | 79.6 | -82.8 | -179 | 0 | 0 | 0 | 115.6 | |||||
| 315 | N | 37.6 | Very low | 36.3 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | 78 | 86.4 | 149 | -57.7 | -27.6 | 0 | 0 | 0 | 120.6 | ||||
| 316 | K | 41.5 | Very low | 35.7 | Very low | 207 Ų | 207 | 147.2 Ų | 147.2 | 90% | 0.9 | 75% | 0.75 | S | S | * | * | -170.1 | 118.4 | 112.5 | -107.9 | 168.4 | 178.5 | 173 | 0 | 114.2 | |||||
| 317 | K | 34.7 | Very low | 35.3 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | 60.8 | 111.5 | 148.6 | -159 | -177.7 | -172.8 | -176.2 | 0 | 117.5 | ||||
| 318 | L | 32.7 | Very low | 35.5 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | cis | 60.8 | 130.7 | 8.8 | -138.5 | 146.3 | 0 | 0 | 0 | 117.2 | ||||
| 319 | N | 31.6 | Very low | 35.3 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | trans | 68.1 | 142.4 | 176.6 | -92 | 3.9 | 0 | 0 | 0 | 116.1 | ||||
| 320 | V | 39.7 | Very low | 35.1 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | cis | -141.3 | 126.7 | 15 | -178.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 321 | D | 31.3 | Very low | 35.5 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 68% | 0.684 | 73% | 0.727 | S | S | * | * | 75.3 | 133.3 | 67.6 | -140.4 | -17.8 | 0 | 0 | 0 | 115.8 | |||||
| 322 | S | 32.5 | Very low | 35.7 | Very low | 68 Ų | 68 | 144.7 Ų | 144.7 | 48% | 0.476 | 72% | 0.722 | S | S | . | * | trans | 50.8 | 117.4 | 148.5 | -74.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 323 | Q | 32.7 | Very low | 35.9 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | 72.4 | -178.7 | 127.4 | -59.4 | 171.2 | 52.7 | 0 | 0 | 118.5 | |||||
| 324 | I | 35.7 | Very low | 35.8 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 70% | 0.703 | 71% | 0.71 | S | S | * | * | trans | 86.1 | 108.1 | 160.3 | -58.5 | 177.7 | 0 | 0 | 0 | 116.7 | ||||
| 325 | L | 33.5 | Very low | 36.2 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | 67.5 | 132.1 | 152.2 | -80.7 | 35.5 | 0 | 0 | 0 | 117.6 | ||||
| 326 | N | 30.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 143 Ų | 143 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | cis | 74 | 128.5 | 45.8 | -171.2 | 30.9 | 0 | 0 | 0 | 111.9 | ||||
| 327 | K | 34.2 | Very low | 36.2 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | trans | 69.3 | 130.3 | 164 | -82.4 | 172.6 | -178.8 | -174.5 | 0 | 119.1 | ||||
| 328 | N | 34.3 | Very low | 36.3 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | trans | 70.7 | 161 | 141.1 | -59.7 | 24.5 | 0 | 0 | 0 | 116.2 | ||||
| 329 | D | 33.9 | Very low | 36.5 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 55% | 0.545 | 71% | 0.713 | S | S | . | * | cis | -170.4 | 163.4 | -31.2 | -88.2 | -35.6 | 0 | 0 | 0 | 103.9 | ||||
| 330 | Y | 37.7 | Very low | 36.9 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | trans | 66.4 | 146 | 163 | -59.1 | -61.2 | 0 | 0 | 0 | 115.6 | ||||
| 331 | T | 42.4 | Very low | 37 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | cis | -159.7 | 152.3 | 15.5 | 8.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 332 | N | 38.6 | Very low | 37.2 | Very low | 128 Ų | 128 | 138 Ų | 138 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | trans | 67.7 | 140.5 | 142.4 | -71.2 | 40.2 | 0 | 0 | 0 | 120.5 | ||||
| 333 | D | 40.7 | Very low | 37.5 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | cis | -150.8 | 149.5 | -11.7 | -75.2 | -44.7 | 0 | 0 | 0 | 105.1 | ||||
| 334 | H | 41.5 | Very low | 37.7 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | -178.3 | 163.2 | 54.5 | -135.9 | -78.1 | 0 | 0 | 0 | 109.4 | |||||
| 335 | L | 42.9 | Very low | 37.9 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 70.4 | 100.3 | 176.8 | -87.9 | 57.8 | 0 | 0 | 0 | 116.4 | ||||
| 336 | E | 37.1 | Very low | 38 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | 58.2 | 118.1 | 69.9 | -64.2 | -167.9 | 128.3 | 0 | 0 | 113.6 | |||||
| 337 | L | 42.1 | Very low | 38.1 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | cis | -154.1 | 151.5 | 41.5 | -96.5 | 131 | 0 | 0 | 0 | 114.4 | ||||
| 338 | A | 38.1 | Very low | 38.2 | Very low | 88 Ų | 88 | 144.7 Ų | 144.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 28.7 | 125.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 339 | Q | 36.6 | Very low | 38.2 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | cis | 72.9 | 148.1 | 29.9 | -68.7 | -159.8 | 8.4 | 0 | 0 | 119.1 | ||||
| 340 | L | 39.9 | Very low | 38.3 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 92.6 | 124.9 | 178.3 | -54.1 | 168.6 | 0 | 0 | 0 | 115.6 | ||||
| 341 | T | 40.5 | Very low | 38.2 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | cis | -156.6 | 156 | -12 | 31.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 342 | S | 36.3 | Very low | 38 | Very low | 95 Ų | 95 | 149.9 Ų | 149.9 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | -82.6 | 162.8 | 169.2 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 343 | N | 38.7 | Very low | 37.9 | Very low | 157 Ų | 157 | 150 Ų | 150 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | 180 | 151.4 | 112.6 | -87 | -15.7 | 0 | 0 | 0 | 114.7 | |||||
| 344 | K | 37 | Very low | 37.6 | Very low | 210 Ų | 210 | 151.3 Ų | 151.3 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -88.1 | 138.3 | 173.8 | -73.5 | 173.9 | 171.9 | 175.7 | 0 | 112 | ||||
| 345 | S | 40.4 | Very low | 37.5 | Very low | 111 Ų | 111 | 151.5 Ų | 151.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -162.6 | 112.1 | 143 | 52.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 346 | N | 35.8 | Very low | 37.4 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | 35.2 | 113.3 | 102.5 | -87.6 | 7.6 | 0 | 0 | 0 | 115 | |||||
| 347 | G | 32.5 | Very low | 37.3 | Very low | 67 Ų | 67 | 152.1 Ų | 152.1 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | 162.3 | 99.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 348 | Y | 35.2 | Very low | 37.3 | Very low | 226 Ų | 226 | 149.4 Ų | 149.4 | 89% | 0.886 | 79% | 0.788 | S | S | * | * | trans | 53.8 | 100.9 | 151.9 | -67.9 | -82.9 | 0 | 0 | 0 | 120.6 | F350 | Y348-F350 PolarHBondContact O-N 3.03Š| ||
| 349 | H | 33.9 | Very low | 37.4 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -37.5 | 114 | 140.6 | -160.4 | -71 | 0 | 0 | 0 | 112 | ||||
| 350 | F | 37.1 | Very low | 37.4 | Very low | 160 Ų | 160 | 152 Ų | 152 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -137.8 | 108.4 | 152.9 | -140.4 | -70.4 | 0 | 0 | 0 | 109.9 | Y348 R352 | Y348-F350 PolarHBondContact O-N 3.03Å; F350-R352 HydrophobicContact CD1-CB 4.42Å; F350-R352 PolarHBondContact O-N 3.25Å | ||
| 351 | D | 34.6 | Very low | 37.5 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -74.2 | 110.2 | 173.1 | -165 | -1.8 | 0 | 0 | 0 | 107.8 | ||||
| 352 | R | 38.2 | Very low | 37.2 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 70% | 0.698 | 79% | 0.785 | S | S | * | * | trans | -152.3 | 117.3 | 169.9 | -158 | 174 | -64.3 | -136.1 | 4.4 | 111.4 | F350 I354 | F350-R352 HydrophobicContact CD1-CB 4.42Å; F350-R352 PolarHBondContact O-N 3.25Å; R352-I354 PolarHBondContact O-N 3.01Å; R352-I354 VanDerWaalsContact O-N 3.14Å | ||
| 353 | T | 36.8 | Very low | 37.5 | Very low | 132 Ų | 132 | 156.2 Ų | 156.2 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -54.1 | 109.9 | 174.9 | -38.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 354 | I | 34.7 | Very low | 37.3 | Very low | 151 Ų | 151 | 155 Ų | 155 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | trans | -116.1 | 98.4 | 167.3 | -61.1 | 178.7 | 0 | 0 | 0 | 107.8 | R352 | R352-I354 PolarHBondContact O-N 3.01Å; R352-I354 VanDerWaalsContact O-N 3.14Å | ||
| 355 | H | 38.6 | Very low | 37.6 | Very low | 172 Ų | 172 | 151.3 Ų | 151.3 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -117.5 | 80.2 | 166.4 | -174.1 | 18.9 | 0 | 0 | 0 | 108.3 | ||||
| 356 | N | 41.3 | Very low | 37.5 | Very low | 136 Ų | 136 | 153.7 Ų | 153.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -175.1 | 150.6 | 156.9 | -97.2 | -28.1 | 0 | 0 | 0 | 111.8 | ||
| 357 | Q | 35.2 | Very low | 37.4 | Very low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | 62.4 | 83.1 | 161.6 | -67.5 | 175.8 | -15.3 | 0 | 0 | 119.2 | ||||
| 358 | S | 41.3 | Very low | 37.6 | Very low | 104 Ų | 104 | 154.6 Ų | 154.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -162.2 | 131.2 | 149.4 | 63.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 359 | N | 41.2 | Very low | 37.9 | Very low | 139 Ų | 139 | 152.4 Ų | 152.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | cis | -143.2 | 149.9 | -1.5 | -77.6 | -41.3 | 0 | 0 | 0 | 109.6 | M361 | N359-M361 PolarHBondContact O-N 3.47Š| ||
| 360 | E | 36.2 | Very low | 38.2 | Very low | 186 Ų | 186 | 152.4 Ų | 152.4 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -61.3 | 119.3 | 152.1 | -62.8 | 173.4 | 126.7 | 0 | 0 | 108.4 | ||||
| 361 | M | 41.9 | Very low | 38.4 | Very low | 158 Ų | 158 | 150 Ų | 150 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | -118.3 | 103.4 | 154.3 | -85.7 | -162 | -167.1 | 0 | 0 | 108.7 | N359 F363 | N359-M361 PolarHBondContact O-N 3.47Å; M361-F363 PolarHBondContact O-N 2.88Å; M361-F363 VanDerWaalsContact O-N 3.17Å | ||
| 362 | I | 34.6 | Very low | 38.8 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -60.3 | 109 | 171.2 | -63.3 | 162.4 | 0 | 0 | 0 | 108.2 | N364 | I362-N364 HydrophobicContact CG2-CB 3.83Š| ||
| 363 | F | 42.7 | Very low | 38.7 | Very low | 167 Ų | 167 | 148 Ų | 148 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | -102.2 | 76.9 | 162.3 | -99.5 | -71.8 | 0 | 0 | 0 | 110.2 | M361 I365 | M361-F363 PolarHBondContact O-N 2.88Å; M361-F363 VanDerWaalsContact O-N 3.17Å; F363-I365 VanDerWaalsContact C-N 3.25Å; F363-I365 HydrophobicContact CD1-CD1 3.78Å; F363-I365 HydrophobicContact CD1-CG1 3.76Å; F363-I365 HydrophobicContact CE1-CD1 4.35Å; F363-I365 PolarHBondContact O-N 2.99Å | ||
| 364 | N | 33.8 | Very low | 38.7 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -79.6 | 73.5 | 170.4 | -164.5 | 27.8 | 0 | 0 | 0 | 109.1 | I362 Q366 | I362-N364 HydrophobicContact CG2-CB 3.83Å; N364-Q366 PolarHBondContact O-N 3.26Å | ||
| 365 | I | 44.3 | Very low | 39 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | trans | -83.8 | 96.4 | 175.7 | -57.4 | -175.4 | 0 | 0 | 0 | 108.5 | F363 S367 | F363-I365 VanDerWaalsContact C-N 3.25Å; F363-I365 HydrophobicContact CD1-CD1 3.78Å; F363-I365 HydrophobicContact CD1-CG1 3.76Å; F363-I365 HydrophobicContact CE1-CD1 4.35Å; F363-I365 PolarHBondContact O-N 2.99Å; I365-S367 PolarHBondContact O-N 3.37Å | ||
| 366 | Q | 37.6 | Very low | 39 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -55.2 | 134.6 | 163.2 | -85.2 | 174.6 | -103.6 | 0 | 0 | 109.8 | N364 D368 | N364-Q366 PolarHBondContact O-N 3.26Å; Q366-D368 PolarHBondContact O-N 2.74Å | ||
| 367 | S | 34.2 | Very low | 38.9 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -72.8 | 120.1 | 171.6 | -56.8 | 0 | 0 | 0 | 0 | 109.7 | I365 | I365-S367 PolarHBondContact O-N 3.37Š| ||
| 368 | D | 36.4 | Very low | 38.8 | Very low | 143 Ų | 143 | 146 Ų | 146 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -155.2 | 157.1 | 151.5 | -95.8 | -40.6 | 0 | 0 | 0 | 110.1 | Q366 | Q366-D368 PolarHBondContact O-N 2.74Š| ||
| 369 | H | 41.6 | Very low | 38.9 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | 75.8 | 66.3 | -177 | -55.4 | -67.8 | 0 | 0 | 0 | 118 | ||||
| 370 | I | 40 | Very low | 38.7 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -81.8 | 105.3 | 147.3 | -61.5 | 168.7 | 0 | 0 | 0 | 108.8 | ||||
| 371 | V | 42.2 | Very low | 38.6 | Very low | 108 Ų | 108 | 145 Ų | 145 | 66% | 0.655 | 79% | 0.786 | S | S | * | * | trans | -149.5 | 120 | 158.9 | -179 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 372 | Q | 40.9 | Very low | 38.6 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 36.1 | 128.3 | 150.4 | -54.3 | 161.7 | -0.9 | 0 | 0 | 118.6 | ||||
| 373 | A | 36.7 | Very low | 38.7 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | -165.7 | 145.4 | 56.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 374 | T | 36.3 | Very low | 38.7 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -61.6 | 144.5 | 161.3 | 40.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 375 | H | 41.1 | Very low | 39 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | -169.1 | 113.6 | 124.7 | -96.2 | -67.7 | 0 | 0 | 0 | 112.7 | |||||
| 376 | Q | 39.1 | Very low | 38.8 | Very low | 175 Ų | 175 | 148.7 Ų | 148.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 29 | 115 | 141.6 | -65.5 | 165.8 | -30.4 | 0 | 0 | 120.8 | ||||
| 377 | S | 38.7 | Very low | 38.9 | Very low | 115 Ų | 115 | 150 Ų | 150 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -149 | 111.2 | 134.6 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 378 | N | 34.1 | Very low | 39.2 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -73.9 | 126.1 | 171.9 | -90.9 | -18.5 | 0 | 0 | 0 | 110.6 | ||||
| 379 | T | 43.6 | Very low | 39.3 | Very low | 133 Ų | 133 | 151.1 Ų | 151.1 | 82% | 0.816 | 82% | 0.818 | S | S | * | * | trans | -142 | 124.3 | 153.5 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 380 | G | 36 | Very low | 39.3 | Very low | 81 Ų | 81 | 151.3 Ų | 151.3 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -26.4 | 123.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 381 | F | 35.5 | Very low | 39.8 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -66.6 | 136.2 | 151.1 | -102 | -105.5 | 0 | 0 | 0 | 109.9 | ||||
| 382 | S | 41.7 | Very low | 40.3 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -113.2 | 102.5 | 163.9 | -166.4 | 0 | 0 | 0 | 0 | 108.2 | Q384 | S382-Q384 PolarHBondContact O-N 2.91Š| ||
| 383 | D | 37.1 | Very low | 41.1 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -77.4 | 93.2 | 179.4 | -77.3 | -47.1 | 0 | 0 | 0 | 111.1 | ||||
| 384 | Q | 42.3 | Very low | 41.7 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -141.2 | 138.4 | 154 | -68.1 | -163.3 | -8.2 | 0 | 0 | 111.3 | S382 | S382-Q384 PolarHBondContact O-N 2.91Š| ||
| 385 | N | 40.2 | Very low | 42.3 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 76.8 | 66.2 | 168.6 | -50.9 | -38.2 | 0 | 0 | 0 | 118.6 | ||
| 386 | R | 39.9 | Very low | 42.3 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -147.6 | 52.6 | 148.4 | -138.4 | 176.3 | -171.6 | -177 | 4.2 | 115 | N388 | R386-N388 VanDerWaalsContact C-N 3.33Å; R386-N388 PolarHBondContact O-N 3.34Å | ||
| 387 | E | 39 | Very low | 42.6 | Very low | 191 Ų | 191 | 147.4 Ų | 147.4 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -65.2 | 91.5 | 162.9 | -70.4 | -171.2 | 143.3 | 0 | 0 | 110.3 | ||||
| 388 | N | 40.4 | Very low | 42.9 | Very low | 162 Ų | 162 | 149 Ų | 149 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 178.8 | 56.7 | 154 | -92.8 | -41 | 0 | 0 | 0 | 109.7 | R386 | R386-N388 VanDerWaalsContact C-N 3.33Å; R386-N388 PolarHBondContact O-N 3.34Å | ||
| 389 | S | 39.7 | Very low | 43.2 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -106.1 | 90 | 175 | -169.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 390 | M | 40.8 | Very low | 43.1 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -129.3 | 42.4 | 176.1 | -156.1 | -165.5 | -54.5 | 0 | 0 | 111.3 | ||||
| 391 | E | 49.8 | Very low | 43.3 | Very low | 80 Ų | 80 | 155.1 Ų | 155.1 | 37% | 0.374 | 79% | 0.785 | S | S | . | * | trans | -148 | 47.2 | -179.8 | -155.8 | 152.2 | -128.6 | 0 | 0 | 114.6 | R231 | R231-E391 IonicContact CZ-OE1 2.76Å; R231-E391 IonicContact CZ-OE2 3.18Å; R231-E391 VanDerWaalsContact NH1-CD 3.25Å; R231-E391 IonicContact NH1-OE1 3.44Å; R231-E391 PolarHBondContact NH1-OE1 3.42Å; R231-E391 IonicContact NH1-OE2 2.71Å; R231-E391 PolarHBondContact NH1-OE2 2.93Å; R231-E391 IonicContact NH2-OE1 3.63Å; R231-E391 PolarHBondContact NH2-OE1 2.86Å | ||
| 392 | A | 52.7 | Low | 43.5 | Very low | 96 Ų | 96 | 154.9 Ų | 154.9 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -105.9 | 91.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 393 | W | 57.9 | Low | 43.7 | Very low | 153 Ų | 153 | 154 Ų | 154 | 58% | 0.58 | 78% | 0.778 | S | S | * | * | trans | -68.3 | 143.7 | 165.8 | -80.8 | 86.5 | 0 | 0 | 0 | 109.9 | R395 | W393-R395 PolarHBondContact O-N 3.49Å; W393-R395 VanDerWaalsContact O-N 3.17Å | ||
| 394 | P | 49.8 | Very low | 43.9 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -57.8 | 119.9 | 177.3 | -23 | 33.5 | 0 | 0 | 0 | 111 | D396 | P394-D396 PolarHBondContact O-N 3.28Å; P394-D396 VanDerWaalsContact O-N 3.14Å | ||
| 395 | R | 49.8 | Very low | 44 | Very low | 217 Ų | 217 | 154.1 Ų | 154.1 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | trans | -83.8 | 28.5 | -176.2 | -73.2 | -173.6 | 176.3 | -102.5 | 6.3 | 113.7 | W393 | W393-R395 PolarHBondContact O-N 3.49Å; W393-R395 VanDerWaalsContact O-N 3.17Å | ||
| 396 | D | 41.1 | Very low | 44.2 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | -129.1 | 70.5 | -171.1 | -69.5 | -58.3 | 0 | 0 | 0 | 112.8 | P394 | P394-D396 PolarHBondContact O-N 3.28Å; P394-D396 VanDerWaalsContact O-N 3.14Å | ||
| 397 | T | 44 | Very low | 44.2 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -163.8 | 126.6 | 146.6 | 1.2 | 0 | 0 | 0 | 0 | 113 | ||
| 398 | I | 45.2 | Very low | 44.3 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | 67.4 | 76.4 | 160.9 | -42 | 171 | 0 | 0 | 0 | 115.8 | ||||
| 399 | R | 39.7 | Very low | 44.4 | Very low | 240 Ų | 240 | 142.9 Ų | 142.9 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | trans | -68.7 | 118.6 | 133.1 | -88.8 | -172.8 | 173.9 | -161 | -1.2 | 107.2 | ||||
| 400 | N | 41.7 | Very low | 44.4 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | 166.6 | 141.3 | 136.9 | -83.6 | -15.2 | 0 | 0 | 0 | 111.4 | ||||
| 401 | V | 40.1 | Very low | 44.3 | Very low | 132 Ų | 132 | 148 Ų | 148 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | 68.3 | 95.3 | 174 | -164.1 | 0 | 0 | 0 | 0 | 116 | P403 | V401-P403 WeakPolarHBondContact O-CD 3.4Š| ||
| 402 | E | 40.8 | Very low | 43.7 | Very low | 188 Ų | 188 | 148.7 Ų | 148.7 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | trans | -68 | 131.5 | 152.3 | -71.2 | -174.8 | 124 | 0 | 0 | 110.5 | ||||
| 403 | P | 45.8 | Very low | 43 | Very low | 97 Ų | 97 | 152.4 Ų | 152.4 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | trans | -90.3 | 122.4 | 156.2 | 0.3 | 19.7 | 0 | 0 | 0 | 108.9 | V401 Y405 | V401-P403 WeakPolarHBondContact O-CD 3.4Å; P403-Y405 PolarHBondContact O-N 3.46Å; P403-Y405 VanDerWaalsContact O-N 3.09Å | ||
| 404 | S | 40.9 | Very low | 42.2 | Very low | 92 Ų | 92 | 150.3 Ų | 150.3 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -55.8 | 115 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | S406 | S404-S406 PolarHBondContact O-N 2.88Å; S404-S406 PolarHBondContact OG-OG 2.8Å | ||
| 405 | Y | 45.4 | Very low | 42 | Very low | 218 Ų | 218 | 148.4 Ų | 148.4 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 66.5 | 176 | -98.7 | -97.7 | 0 | 0 | 0 | 111.2 | P403 | P403-Y405 PolarHBondContact O-N 3.46Å; P403-Y405 VanDerWaalsContact O-N 3.09Å |
| 406 | S | 43 | Very low | 42.2 | Very low | 83 Ų | 83 | 147.1 Ų | 147.1 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.5 | -15.3 | 178.7 | 59.8 | 0 | 0 | 0 | 0 | 116 | S404 | S404-S406 PolarHBondContact O-N 2.88Å; S404-S406 PolarHBondContact OG-OG 2.8Å |
| 407 | N | 41 | Very low | 42.8 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 51% | 0.508 | 77% | 0.768 | S | S | . | * | S | Bend | trans | -123.2 | -1.2 | -166.8 | -85.6 | -55.9 | 0 | 0 | 0 | 118.1 | R410 | N407-R410 PolarHBondContact OD1-NH2 2.9Š|
| 408 | V | 40.8 | Very low | 43.4 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 87% | 0.873 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 29.4 | -173 | -159.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 409 | M | 41.6 | Very low | 44.2 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 93% | 0.926 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 10.9 | 171.1 | -90.1 | -69 | -176.9 | 0 | 0 | 113.8 | K411 | M409-K411 PolarHBondContact O-N 3.48Š|
| 410 | R | 41.4 | Very low | 45.4 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -83.3 | 98.7 | 174.1 | -93.3 | -170.5 | -84.4 | -177.8 | -7.3 | 112 | N407 S412 | N407-R410 PolarHBondContact OD1-NH2 2.9Å; R410-S412 PolarHBondContact O-N 3.23Å |
| 411 | K | 37.5 | Very low | 46.3 | Very low | 212 Ų | 212 | 128.5 Ų | 128.5 | 92% | 0.922 | 70% | 0.695 | S | S | * | * | trans | 29 | 86.2 | 148 | -66.9 | 178.6 | 176.1 | 176.7 | 0 | 116.2 | M409 | M409-K411 PolarHBondContact O-N 3.48Š| ||
| 412 | S | 37.1 | Very low | 47.5 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | trans | -126.4 | 151.8 | 149.2 | 71.6 | 0 | 0 | 0 | 0 | 109.1 | R410 C414 | R410-S412 PolarHBondContact O-N 3.23Å; S412-C414 PolarHBondContact O-N 2.92Å | ||
| 413 | N | 38.5 | Very low | 48.6 | Very low | 174 Ų | 174 | 121 Ų | 121 | 93% | 0.93 | 66% | 0.656 | S | S | * | * | trans | -76.1 | 57.3 | -171.7 | -72.2 | -24.8 | 0 | 0 | 0 | 112.6 | A415 | N413-A415 PolarHBondContact O-N 3.44Å; N413-A415 VanDerWaalsContact O-N 3.14Å | ||
| 414 | C | 40.4 | Very low | 49.5 | Very low | 109 Ų | 109 | 119 Ų | 119 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | trans | -65.6 | 111.7 | 172.1 | -70.1 | 0 | 0 | 0 | 0 | 109.5 | S412 | S412-C414 PolarHBondContact O-N 2.92Š| ||
| 415 | A | 45.6 | Very low | 50.5 | Low | 73 Ų | 73 | 115.6 Ų | 115.6 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | trans | -51.4 | 142.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | N413 | N413-A415 PolarHBondContact O-N 3.44Å; N413-A415 VanDerWaalsContact O-N 3.14Å | ||
| 416 | K | 55.2 | Low | 51.5 | Low | 189 Ų | 189 | 111.5 Ų | 111.5 | 82% | 0.822 | 60% | 0.604 | S | S | * | * | trans | -45.1 | 138.1 | 179.1 | -65.9 | 177.9 | 179.2 | 178.3 | 0 | 110.5 | L418 | K416-L418 PolarHBondContact O-N 2.93Š| ||
| 417 | P | 52.9 | Low | 52.5 | Low | 123 Ų | 123 | 115.3 Ų | 115.3 | 80% | 0.799 | 61% | 0.605 | S | S | * | * | trans | -54.3 | 124.8 | 174 | -21.9 | 31.9 | 0 | 0 | 0 | 109.4 | S419 | P417-S419 PolarHBondContact O-N 2.78Š| ||
| 418 | L | 56.4 | Low | 53.8 | Low | 60 Ų | 60 | 117.6 Ų | 117.6 | 31% | 0.314 | 61% | 0.607 | S | S | . | * | trans | -63.5 | 108.9 | 177.6 | -82.4 | 76.7 | 0 | 0 | 0 | 108.2 | K416 H420 E423 I424 | K416-L418 PolarHBondContact O-N 2.93Å; L418-H420 VanDerWaalsContact C-N 3.29Å; L418-H420 PolarHBondContact O-N 2.78Å; L418-E423 HydrophobicContact CD2-CB 3.85Å; L418-E423 HydrophobicContact CG-CB 4.25Å; L418-I424 HydrophobicContact CB-CG1 4.03Å; L418-I424 HydrophobicContact CD2-CB 4.46Å; L418-I424 HydrophobicContact CD2-CG1 3.72Å | ||
| 419 | S | 62.9 | Low | 55 | Low | 91 Ų | 91 | 114.3 Ų | 114.3 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | trans | -84.9 | -4.9 | -172.1 | 51.9 | 0 | 0 | 0 | 0 | 113 | P417 E423 | P417-S419 PolarHBondContact O-N 2.78Å; S419-E423 PolarHBondContact N-OE2 2.87Å | ||
| 420 | H | 63.9 | Low | 55.8 | Low | 104 Ų | 104 | 108.3 Ų | 108.3 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | trans | -138.4 | 135.1 | -172.7 | -155.9 | 39.4 | 0 | 0 | 0 | 112.5 | L418 T422 E423 I424 | L418-H420 VanDerWaalsContact C-N 3.29Å; L418-H420 PolarHBondContact O-N 2.78Å; H420-T422 VanDerWaalsContact CD2-CB 3.47Å; H420-T422 WeakPolarHBondContact CD2-CB 3.49Å; H420-T422 PolarHBondContact CD2-OG1 3.4Å; H420-T422 PolarHBondContact NE2-OG1 2.89Å; H420-T422 VanDerWaalsContact NE2-OG1 3.1Å; H420-T422 PolarHBondContact O-N 3.11Å; H420-E423 HydrophobicContact CB-CG 4.37Å; H420-E423 PolarHBondContact O-N 3.17Å; H420-I424 PolarHBondContact O-N 3.48Å | ||
| 421 | S | 61.8 | Low | 56.4 | Low | 37 Ų | 37 | 109 Ų | 109 | 26% | 0.259 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.9 | -31 | 177.4 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | I424 C425 | S421-I424 PolarHBondContact O-N 2.83Å; S421-C425 PolarHBondContact O-N 2.77Å; S421-C425 PolarHBondContact O-SG 3.37Å; S421-C425 VanDerWaalsContact O-SG 3.39Å |
| 422 | T | 64.3 | Low | 57 | Low | 71 Ų | 71 | 102.3 Ų | 102.3 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 173.9 | -45.6 | 0 | 0 | 0 | 0 | 112 | H420 I424 C425 E426 | H420-T422 VanDerWaalsContact CD2-CB 3.47Å; H420-T422 WeakPolarHBondContact CD2-CB 3.49Å; H420-T422 PolarHBondContact CD2-OG1 3.4Å; H420-T422 PolarHBondContact NE2-OG1 2.89Å; H420-T422 VanDerWaalsContact NE2-OG1 3.1Å; H420-T422 PolarHBondContact O-N 3.11Å; T422-I424 VanDerWaalsContact C-N 3.3Å; T422-I424 PolarHBondContact O-N 3.37Å; T422-C425 PolarHBondContact O-N 2.78Å; T422-E426 HydrophobicContact CG2-CG 4.42Å; T422-E426 WeakPolarHBondContact O-CB 3.42Å; T422-E426 VanDerWaalsContact O-CG 3.27Å; T422-E426 WeakPolarHBondContact O-CG 3.2Å; T422-E426 PolarHBondContact O-N 3.29Å |
| 423 | E | 63.7 | Low | 57.6 | Low | 92 Ų | 92 | 102.6 Ų | 102.6 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 177.6 | -65.7 | -176.1 | 136.6 | 0 | 0 | 112.5 | L418 S419 H420 R427 | L418-E423 HydrophobicContact CD2-CB 3.85Å; L418-E423 HydrophobicContact CG-CB 4.25Å; S419-E423 PolarHBondContact N-OE2 2.87Å; H420-E423 HydrophobicContact CB-CG 4.37Å; H420-E423 PolarHBondContact O-N 3.17Å; E423-R427 WeakPolarHBondContact O-CB 3.22Å; E423-R427 PolarHBondContact O-N 3.5Å |
| 424 | I | 64.4 | Low | 58 | Low | 54 Ų | 54 | 101.1 Ų | 101.1 | 28% | 0.277 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 176 | -60.4 | 173.3 | 0 | 0 | 0 | 109.4 | L418 H420 S421 T422 W428 | L418-I424 HydrophobicContact CB-CG1 4.03Å; L418-I424 HydrophobicContact CD2-CB 4.46Å; L418-I424 HydrophobicContact CD2-CG1 3.72Å; H420-I424 PolarHBondContact O-N 3.48Å; S421-I424 PolarHBondContact O-N 2.83Å; T422-I424 VanDerWaalsContact C-N 3.3Å; T422-I424 PolarHBondContact O-N 3.37Å; I424-W428 VanDerWaalsContact O-CB 3.27Å; I424-W428 WeakPolarHBondContact O-CB 3.33Å; I424-W428 PolarHBondContact O-N 2.85Å |
| 425 | C | 63 | Low | 58.2 | Low | 20 Ų | 20 | 103.2 Ų | 103.2 | 14% | 0.135 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 175.1 | -71.7 | 0 | 0 | 0 | 0 | 112.3 | S421 T422 W428 L429 | S421-C425 PolarHBondContact O-N 2.77Å; S421-C425 PolarHBondContact O-SG 3.37Å; S421-C425 VanDerWaalsContact O-SG 3.39Å; T422-C425 PolarHBondContact O-N 2.78Å; C425-W428 PolarHBondContact O-N 3.45Å; C425-L429 WeakPolarHBondContact O-CB 3.25Å; C425-L429 VanDerWaalsContact O-CG 3.3Å; C425-L429 WeakPolarHBondContact O-CG 3.21Å; C425-L429 PolarHBondContact O-N 2.77Å |
| 426 | E | 66.5 | Low | 57.9 | Low | 133 Ų | 133 | 105.8 Ų | 105.8 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.8 | -47.6 | 177.1 | -75.8 | -72.6 | 137.5 | 0 | 0 | 111.5 | T422 W428 G430 | T422-E426 HydrophobicContact CG2-CG 4.42Å; T422-E426 WeakPolarHBondContact O-CB 3.42Å; T422-E426 VanDerWaalsContact O-CG 3.27Å; T422-E426 WeakPolarHBondContact O-CG 3.2Å; T422-E426 PolarHBondContact O-N 3.29Å; E426-W428 VanDerWaalsContact C-N 3.32Å; E426-W428 PolarHBondContact O-N 3.39Å; E426-G430 WeakPolarHBondContact O-CA 3.38Å; E426-G430 PolarHBondContact O-N 2.84Å |
| 427 | R | 64.6 | Low | 57.7 | Low | 162 Ų | 162 | 105.4 Ų | 105.4 | 61% | 0.611 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.7 | -26.5 | 177.3 | -89 | -174.2 | 164 | 179.9 | -2.1 | 114.3 | E423 | E423-R427 WeakPolarHBondContact O-CB 3.22Å; E423-R427 PolarHBondContact O-N 3.5Å |
| 428 | W | 67.5 | Low | 57.5 | Low | 144 Ų | 144 | 105.9 Ų | 105.9 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -77.6 | -51.2 | 176.5 | -167.1 | 74.3 | 0 | 0 | 0 | 110.4 | C200 I424 C425 E426 H432 | C200-W428 HydrophobicContact CB-CZ3 4.47Å; C200-W428 VanDerWaalsContact SG-CZ3 3.54Å; I424-W428 VanDerWaalsContact O-CB 3.27Å; I424-W428 WeakPolarHBondContact O-CB 3.33Å; I424-W428 PolarHBondContact O-N 2.85Å; C425-W428 PolarHBondContact O-N 3.45Å; E426-W428 VanDerWaalsContact C-N 3.32Å; E426-W428 PolarHBondContact O-N 3.39Å; W428-H432 PolarHBondContact O-CD2 3.39Å |
| 429 | L | 65.9 | Low | 57.2 | Low | 75 Ų | 75 | 109.8 Ų | 109.8 | 39% | 0.393 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.2 | -36.6 | 179.2 | -65.2 | 170.6 | 0 | 0 | 0 | 112.8 | C425 R431 H432 | C425-L429 WeakPolarHBondContact O-CB 3.25Å; C425-L429 VanDerWaalsContact O-CG 3.3Å; C425-L429 WeakPolarHBondContact O-CG 3.21Å; C425-L429 PolarHBondContact O-N 2.77Å; L429-R431 PolarHBondContact O-N 3.22Å; L429-R431 VanDerWaalsContact O-N 3.13Å; L429-H432 PolarHBondContact O-N 2.83Å |
| 430 | G | 58.5 | Low | 56.3 | Low | 62 Ų | 62 | 110.6 Ų | 110.6 | 64% | 0.639 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -5.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E426 | E426-G430 WeakPolarHBondContact O-CA 3.38Å; E426-G430 PolarHBondContact O-N 2.84Å |
| 431 | R | 53.4 | Low | 55.6 | Low | 211 Ų | 211 | 111.9 Ų | 111.9 | 80% | 0.796 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 1.5 | 169 | -68 | -166.5 | -166.9 | -113.3 | 10.4 | 114 | L429 | L429-R431 PolarHBondContact O-N 3.22Å; L429-R431 VanDerWaalsContact O-N 3.13Å |
| 432 | H | 51.4 | Low | 54.6 | Low | 71 Ų | 71 | 116.3 Ų | 116.3 | 33% | 0.329 | 59% | 0.588 | S | S | . | * | trans | -103.8 | 22.6 | -174.6 | -79.6 | -67.9 | 0 | 0 | 0 | 114.4 | W428 L429 D434 Y435 | W428-H432 PolarHBondContact O-CD2 3.39Å; L429-H432 PolarHBondContact O-N 2.83Å; H432-D434 PolarHBondContact O-N 2.88Å; H432-Y435 HydrophobicContact CB-CD2 4.38Å; H432-Y435 AromaticContact CE1-CE2 3.56Å; H432-Y435 AromaticContact ND1-CD2 3.2Å; H432-Y435 WeakPolarHBondContact ND1-CD2 3.2Å; H432-Y435 AromaticContact ND1-CE2 3.05Å; H432-Y435 WeakPolarHBondContact ND1-CE2 3.04Å; H432-Y435 AromaticContact ND1-CZ 3.88Å | ||
| 433 | S | 48.3 | Very low | 53.8 | Low | 99 Ų | 99 | 118.6 Ų | 118.6 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -22.6 | 176.8 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 434 | D | 46.9 | Very low | 53 | Low | 143 Ų | 143 | 118.9 Ų | 118.9 | 77% | 0.765 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 18.3 | -162.7 | -57.1 | -0.3 | 0 | 0 | 0 | 113.3 | H432 N436 | H432-D434 PolarHBondContact O-N 2.88Å; D434-N436 PolarHBondContact O-N 3.32Å |
| 435 | Y | 44.3 | Very low | 52 | Low | 154 Ų | 154 | 119.7 Ų | 119.7 | 60% | 0.604 | 63% | 0.631 | S | S | * | * | trans | -83.9 | 113.4 | -175.7 | -94.4 | -93 | 0 | 0 | 0 | 113.6 | H432 | H432-Y435 HydrophobicContact CB-CD2 4.38Å; H432-Y435 AromaticContact CE1-CE2 3.56Å; H432-Y435 AromaticContact ND1-CD2 3.2Å; H432-Y435 WeakPolarHBondContact ND1-CD2 3.2Å; H432-Y435 AromaticContact ND1-CE2 3.05Å; H432-Y435 WeakPolarHBondContact ND1-CE2 3.04Å; H432-Y435 AromaticContact ND1-CZ 3.88Å | ||
| 436 | N | 39.4 | Very low | 50.8 | Low | 127 Ų | 127 | 124 Ų | 124 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | trans | -71.6 | 143.3 | 167.4 | -167.1 | -0.9 | 0 | 0 | 0 | 110.6 | D434 N438 | D434-N436 PolarHBondContact O-N 3.32Å; N436-N438 PolarHBondContact O-N 3.39Å | ||
| 437 | E | 52 | Low | 49.5 | Very low | 180 Ų | 180 | 122 Ų | 122 | 84% | 0.841 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 4.7 | -163.4 | -151.6 | 171.3 | -169.8 | 0 | 0 | 114.9 | ||
| 438 | N | 48 | Very low | 48.3 | Very low | 134 Ų | 134 | 120 Ų | 120 | 72% | 0.717 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -7.6 | -165 | -69.7 | -52 | 0 | 0 | 0 | 116.4 | N436 P440 | N436-N438 PolarHBondContact O-N 3.39Å; N438-P440 WeakPolarHBondContact O-CD 3.26Å |
| 439 | D | 49.7 | Very low | 47.1 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -103.9 | 107.8 | 178.6 | -102.9 | -37.7 | 0 | 0 | 0 | 111.8 | L441 | D439-L441 PolarHBondContact O-N 2.88Š| ||
| 440 | P | 45.7 | Very low | 45.8 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | trans | -67.4 | 126 | 173.1 | 27.9 | -32.2 | 0 | 0 | 0 | 109.4 | N438 N442 | N438-P440 WeakPolarHBondContact O-CD 3.26Å; P440-N442 PolarHBondContact O-N 3.16Å | ||
| 441 | L | 47.4 | Very low | 44.7 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 68% | 0.681 | 70% | 0.695 | S | S | * | * | trans | -41 | 101.4 | -178.9 | -72.6 | 165.4 | 0 | 0 | 0 | 112.5 | D439 L443 | D439-L441 PolarHBondContact O-N 2.88Å; L441-L443 HydrophobicContact CB-CG 4.36Å; L441-L443 PolarHBondContact O-N 3.39Å | ||
| 442 | N | 40.8 | Very low | 44 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | trans | -78.1 | 79.7 | 179.4 | -165.6 | -10.3 | 0 | 0 | 0 | 109.6 | P440 S444 | P440-N442 PolarHBondContact O-N 3.16Å; N442-S444 PolarHBondContact O-N 2.85Å; N442-S444 WeakPolarHBondContact OD1-CB 3.2Å; N442-S444 PolarHBondContact OD1-OG 3.41Å | ||
| 443 | L | 49.3 | Very low | 43.3 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 63% | 0.628 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -64.8 | 2.4 | -177.2 | -69.1 | 165.1 | 0 | 0 | 0 | 114 | L441 G445 L446 | L441-L443 HydrophobicContact CB-CG 4.36Å; L441-L443 PolarHBondContact O-N 3.39Å; L443-G445 PolarHBondContact O-N 2.87Å; L443-L446 HydrophobicContact CD2-CD1 3.55Å; L443-L446 PolarHBondContact O-N 2.87Å |
| 444 | S | 45.3 | Very low | 42.7 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -64 | -20.6 | 173.7 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | N442 | N442-S444 PolarHBondContact O-N 2.85Å; N442-S444 WeakPolarHBondContact OD1-CB 3.2Å; N442-S444 PolarHBondContact OD1-OG 3.41Å |
| 445 | G | 44.9 | Very low | 42.2 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -84.5 | -6.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L443 | L443-G445 PolarHBondContact O-N 2.87Š|
| 446 | L | 37.6 | Very low | 41.6 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 58% | 0.576 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -75.5 | 137.4 | 172.5 | -96.4 | 114.6 | 0 | 0 | 0 | 110.2 | L443 T448 | L443-L446 HydrophobicContact CD2-CD1 3.55Å; L443-L446 PolarHBondContact O-N 2.87Å; L446-T448 VanDerWaalsContact C-N 3.34Å; L446-T448 PolarHBondContact O-N 2.81Å |
| 447 | P | 39.2 | Very low | 41.4 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 60% | 0.597 | 75% | 0.745 | S | S | * | * | trans | -67.8 | 94.2 | 175.5 | 28.4 | -33.9 | 0 | 0 | 0 | 109.6 | Y449 | P447-Y449 HydrophobicContact CB-CD2 4.01Å; P447-Y449 HydrophobicContact CB-CE2 3.77Å; P447-Y449 HydrophobicContact CG-CD2 4.36Å; P447-Y449 HydrophobicContact CG-CE2 4Å; P447-Y449 WeakPolarHBondContact O-CD2 3.34Å; P447-Y449 PolarHBondContact O-N 3.43Å | ||
| 448 | T | 39.9 | Very low | 40.6 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | -66.3 | 87.7 | 163.6 | 48.1 | 0 | 0 | 0 | 0 | 108.1 | L446 K450 | L446-T448 VanDerWaalsContact C-N 3.34Å; L446-T448 PolarHBondContact O-N 2.81Å; T448-K450 PolarHBondContact O-N 2.78Å | ||
| 449 | Y | 41.2 | Very low | 40.2 | Very low | 219 Ų | 219 | 138.7 Ų | 138.7 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | trans | -65.2 | 73 | 166.6 | -77.8 | -82.1 | 0 | 0 | 0 | 109.9 | P447 | P447-Y449 HydrophobicContact CB-CD2 4.01Å; P447-Y449 HydrophobicContact CB-CE2 3.77Å; P447-Y449 HydrophobicContact CG-CD2 4.36Å; P447-Y449 HydrophobicContact CG-CE2 4Å; P447-Y449 WeakPolarHBondContact O-CD2 3.34Å; P447-Y449 PolarHBondContact O-N 3.43Å | ||
| 450 | K | 39.1 | Very low | 39.4 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 73% | 0.726 | 75% | 0.752 | S | S | * | * | trans | -65.1 | 126.7 | 150.4 | -70.6 | -175.7 | 177.5 | 178.8 | 0 | 105.8 | T448 H452 | T448-K450 PolarHBondContact O-N 2.78Å; K450-H452 PolarHBondContact O-N 2.66Å | ||
| 451 | A | 36.1 | Very low | 38.9 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -62.2 | 105.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 452 | H | 36.9 | Very low | 38.3 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -123.9 | 107 | 163.5 | -86.7 | 24.9 | 0 | 0 | 0 | 105.9 | K450 | K450-H452 PolarHBondContact O-N 2.66Š| ||
| 453 | D | 37.2 | Very low | 38 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -54.6 | 162.8 | 153.2 | -65.7 | -60.7 | 0 | 0 | 0 | 109.5 | ||||
| 454 | H | 35.6 | Very low | 37.1 | Very low | 180 Ų | 180 | 146 Ų | 146 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | 85.3 | 71.9 | -171.3 | -47.9 | -72.3 | 0 | 0 | 0 | 116.4 | ||||
| 455 | H | 37.2 | Very low | 36.6 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | -161.4 | 100.4 | 125.3 | -120 | -79.9 | 0 | 0 | 0 | 112 | |||||
| 456 | L | 32.2 | Very low | 36.3 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -138.7 | 98.9 | 161.4 | -91.5 | 174.1 | 0 | 0 | 0 | 108.3 | ||||
| 457 | H | 34.6 | Very low | 36.4 | Very low | 172 Ų | 172 | 154.7 Ų | 154.7 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -150.1 | 143.6 | 163.8 | -121.2 | -82.8 | 0 | 0 | 0 | 108.4 | ||||
| 458 | T | 34.7 | Very low | 36.3 | Very low | 125 Ų | 125 | 159.5 Ų | 159.5 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | 72.4 | 94.3 | 173.4 | -41.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 459 | I | 38.9 | Very low | 36.4 | Very low | 166 Ų | 166 | 162.7 Ų | 162.7 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | -142 | 129.9 | 102.8 | -62.9 | -163.2 | 0 | 0 | 0 | 107.6 | |||||
| 460 | Q | 34.1 | Very low | 36.3 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -124 | 155.5 | 174.8 | -169.6 | 174.9 | 5.7 | 0 | 0 | 107.2 | ||||
| 461 | S | 34.6 | Very low | 36.4 | Very low | 101 Ų | 101 | 155.7 Ų | 155.7 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | 72.9 | 117 | -174.8 | 78.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 462 | L | 35.7 | Very low | 36.6 | Very low | 181 Ų | 181 | 158.2 Ų | 158.2 | 95% | 0.948 | 81% | 0.807 | S | S | * | * | -162.6 | 150.3 | 99.6 | -93.6 | 168.8 | 0 | 0 | 0 | 109.4 | |||||
| 463 | S | 34.4 | Very low | 36.7 | Very low | 101 Ų | 101 | 155 Ų | 155 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -124.8 | 148.2 | -163.7 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 464 | Y | 30.5 | Very low | 36.9 | Very low | 222 Ų | 222 | 153.5 Ų | 153.5 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | 14.8 | 123 | 158.2 | -76.6 | -91 | 0 | 0 | 0 | 121.6 | ||||
| 465 | Q | 35.2 | Very low | 37.2 | Very low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | -177.2 | 152.9 | 127.9 | -96.5 | 170.4 | 9.5 | 0 | 0 | 105.8 | |||||
| 466 | V | 37.6 | Very low | 37.2 | Very low | 122 Ų | 122 | 149 Ų | 149 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | -156.6 | 154.8 | 50.2 | 167.1 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 467 | D | 39.7 | Very low | 37.6 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -25.9 | 150.3 | 170.1 | -51.6 | -65.1 | 0 | 0 | 0 | 121 | ||||
| 468 | E | 36.1 | Very low | 37.8 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -105.8 | 134.2 | 168.1 | -173.8 | 172.5 | -128.3 | 0 | 0 | 110.2 | ||||
| 469 | K | 42 | Very low | 38.1 | Very low | 186 Ų | 186 | 149 Ų | 149 | 81% | 0.809 | 78% | 0.776 | S | S | * | * | trans | -154.2 | 138.1 | 176.8 | -113.9 | -172.4 | -174 | -176.6 | 0 | 113.4 | ||||
| 470 | I | 40.4 | Very low | 38.4 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | 86.6 | 90.1 | 154.7 | -56.8 | 160.5 | 0 | 0 | 0 | 117 | ||||
| 471 | S | 41.7 | Very low | 38.5 | Very low | 90 Ų | 90 | 144.3 Ų | 144.3 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | 70 | 131.4 | 116.4 | -109.5 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 472 | N | 39 | Very low | 38.7 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 71.8 | 150.4 | 143.9 | -51.6 | -6.1 | 0 | 0 | 0 | 117.8 | ||||
| 473 | S | 40.3 | Very low | 38.8 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | cis | -168 | 135.2 | -26.5 | 173 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 474 | D | 40.1 | Very low | 39.2 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | trans | 30.1 | 125.1 | 153.6 | -61.8 | -57.3 | 0 | 0 | 0 | 122.9 | ||||
| 475 | Q | 41.7 | Very low | 39.7 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | 61.6 | 145.7 | 117.3 | -60.8 | 177.6 | 17.1 | 0 | 0 | 119.5 | |||||
| 476 | S | 38.1 | Very low | 39.7 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | -169.1 | -172.8 | -7.7 | 44.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 477 | E | 40.3 | Very low | 39.8 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 98.9 | 158 | 160.2 | -53.6 | -162.2 | 141.6 | 0 | 0 | 120 | ||||
| 478 | L | 39.8 | Very low | 39.8 | Very low | 146 Ų | 146 | 152.6 Ų | 152.6 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 74.2 | 83.7 | 177.5 | -88.9 | 70 | 0 | 0 | 0 | 119.6 | ||||
| 479 | E | 40.5 | Very low | 40.1 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | 34.6 | 149.2 | 106.3 | -61.5 | -158.5 | 121.2 | 0 | 0 | 123.1 | |||||
| 480 | H | 43.8 | Very low | 39.9 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | 70.5 | 142.6 | 162.6 | -58.2 | -14.3 | 0 | 0 | 0 | 116.6 | ||||
| 481 | G | 37.3 | Very low | 39.6 | Very low | 70 Ų | 70 | 147.6 Ų | 147.6 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | cis | -166.4 | 160.7 | -3.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 482 | N | 38.5 | Very low | 39.7 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -68.3 | 161.8 | -179.8 | -76.3 | -48.8 | 0 | 0 | 0 | 113 | ||||
| 483 | Q | 38.3 | Very low | 39.6 | Very low | 174 Ų | 174 | 153 Ų | 153 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 112.4 | 102.3 | 155.9 | -168.3 | 173.7 | 75.4 | 0 | 0 | 115.8 | ||||
| 484 | M | 41.6 | Very low | 39.7 | Very low | 162 Ų | 162 | 156.7 Ų | 156.7 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -158.3 | 113 | 132.9 | -94.1 | -50.3 | 157.4 | 0 | 0 | 111.4 | ||||
| 485 | D | 40.8 | Very low | 39.6 | Very low | 136 Ų | 136 | 155.8 Ų | 155.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 48.6 | 94.3 | 144.3 | -65.2 | -5.4 | 0 | 0 | 0 | 122.7 | ||||
| 486 | N | 37 | Very low | 39.8 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -86.1 | 110.9 | 143.6 | -79.1 | -54.2 | 0 | 0 | 0 | 110.4 | ||||
| 487 | K | 39.8 | Very low | 39.8 | Very low | 184 Ų | 184 | 155.6 Ų | 155.6 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -138.6 | 87.2 | 161.3 | -99.3 | -179.9 | -178 | 167.6 | 0 | 112 | ||||
| 488 | W | 38.7 | Very low | 39.6 | Very low | 249 Ų | 249 | 158.5 Ų | 158.5 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | trans | -72.9 | 123.7 | 156.5 | -84.3 | 77.2 | 0 | 0 | 0 | 109 | ||||
| 489 | L | 41.6 | Very low | 39.5 | Very low | 146 Ų | 146 | 157.6 Ų | 157.6 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -120.8 | 131.8 | 170.1 | -87.8 | 166.6 | 0 | 0 | 0 | 109.3 | ||||
| 490 | P | 37.7 | Very low | 39.5 | Very low | 111 Ų | 111 | 158.2 Ų | 158.2 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | trans | -83.6 | 152.6 | 180 | 33.7 | -34.2 | 0 | 0 | 0 | 112.6 | ||||
| 491 | N | 35.7 | Very low | 39 | Very low | 166 Ų | 166 | 157.8 Ų | 157.8 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | 11.3 | 121.3 | 161.6 | -74.2 | -23.8 | 0 | 0 | 0 | 118.9 | ||||
| 492 | K | 43.5 | Very low | 39.1 | Very low | 199 Ų | 199 | 159.3 Ų | 159.3 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -128 | 137.5 | 147.1 | -81.3 | -169.3 | 174 | -176.8 | 0 | 112 | ||||
| 493 | D | 35.9 | Very low | 39.2 | Very low | 155 Ų | 155 | 155.4 Ų | 155.4 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -42.7 | 127.8 | -177.6 | -51.6 | -74.4 | 0 | 0 | 0 | 116.4 | ||||
| 494 | L | 42.6 | Very low | 39.2 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -139.7 | 94.1 | 151.4 | -88.9 | 174.1 | 0 | 0 | 0 | 109.1 | P496 | L494-P496 WeakPolarHBondContact O-CD 3.37Š| ||
| 495 | A | 39.4 | Very low | 39.1 | Very low | 96 Ų | 96 | 160.2 Ų | 160.2 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 125.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N497 | A495-N497 PolarHBondContact O-N 3.34Š|
| 496 | P | 45.7 | Very low | 39 | Very low | 124 Ų | 124 | 160.1 Ų | 160.1 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 117.3 | 167.4 | 30.3 | -29.5 | 0 | 0 | 0 | 110 | L494 R498 | L494-P496 WeakPolarHBondContact O-CD 3.37Å; P496-R498 PolarHBondContact O-N 2.93Å |
| 497 | N | 38 | Very low | 39 | Very low | 140 Ų | 140 | 159 Ų | 159 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 122.3 | 178.3 | -173.4 | -5.2 | 0 | 0 | 0 | 112.4 | A495 N499 | A495-N497 PolarHBondContact O-N 3.34Å; N497-N499 PolarHBondContact O-N 3.01Å |
| 498 | R | 35.4 | Very low | 38.9 | Very low | 235 Ų | 235 | 157.1 Ų | 157.1 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -72.8 | 107.6 | 166.7 | -75 | -179.2 | 177.7 | 176.7 | -0 | 108.9 | P496 | P496-R498 PolarHBondContact O-N 2.93Š| ||
| 499 | N | 38.1 | Very low | 38.7 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | trans | -162.6 | 157.6 | 155.2 | -93.6 | -44.7 | 0 | 0 | 0 | 111.9 | N497 | N497-N499 PolarHBondContact O-N 3.01Š| ||
| 500 | H | 39.7 | Very low | 38.5 | Very low | 169 Ų | 169 | 151 Ų | 151 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | 73.3 | 59.1 | 175.4 | -51.5 | -63.5 | 0 | 0 | 0 | 118 | ||||
| 501 | D | 33.9 | Very low | 38.4 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -96.3 | 96.9 | 144.4 | -159.8 | -4 | 0 | 0 | 0 | 107.9 | ||||
| 502 | T | 40.1 | Very low | 38.7 | Very low | 102 Ų | 102 | 151.7 Ų | 151.7 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | trans | -121.7 | 84.9 | -178 | -41.4 | 0 | 0 | 0 | 0 | 109.7 | Y504 | T502-Y504 PolarHBondContact O-N 3.49Å; T502-Y504 VanDerWaalsContact O-N 3.1Å | ||
| 503 | S | 40.3 | Very low | 38.3 | Very low | 92 Ų | 92 | 147.1 Ų | 147.1 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -57.6 | 109.3 | 174.9 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | R505 | S503-R505 PolarHBondContact O-N 3.1Š| ||
| 504 | Y | 38.3 | Very low | 38.5 | Very low | 213 Ų | 213 | 148.1 Ų | 148.1 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -66.9 | 81.8 | 165.8 | -91.3 | -91.3 | 0 | 0 | 0 | 110.5 | T502 I506 | T502-Y504 PolarHBondContact O-N 3.49Å; T502-Y504 VanDerWaalsContact O-N 3.1Å; Y504-I506 PolarHBondContact O-N 3.32Å | ||
| 505 | R | 38 | Very low | 38.6 | Very low | 224 Ų | 224 | 147.3 Ų | 147.3 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 93.7 | 159 | -80.4 | -168.3 | 177.6 | -162 | 2 | 108.9 | S503 N507 | S503-R505 PolarHBondContact O-N 3.1Å; R505-N507 PolarHBondContact O-N 3.49Å | ||
| 506 | I | 40.5 | Very low | 38.9 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | -72.8 | 96.6 | 165.9 | -64.2 | 176.8 | 0 | 0 | 0 | 107.6 | Y504 I508 | Y504-I506 PolarHBondContact O-N 3.32Å; I506-I508 HydrophobicContact CG2-CD1 3.81Å; I506-I508 HydrophobicContact CG2-CG1 3.58Å | ||
| 507 | N | 36.5 | Very low | 38.6 | Very low | 138 Ų | 138 | 154.1 Ų | 154.1 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -100.1 | 96 | 177.7 | -172.7 | 22.6 | 0 | 0 | 0 | 109.1 | R505 N509 | R505-N507 PolarHBondContact O-N 3.49Å; N507-N509 PolarHBondContact O-N 2.94Å | ||
| 508 | I | 38.1 | Very low | 39 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -98.6 | 82.5 | -180 | -40.2 | -179.4 | 0 | 0 | 0 | 108.9 | I506 | I506-I508 HydrophobicContact CG2-CD1 3.81Å; I506-I508 HydrophobicContact CG2-CG1 3.58Å | ||
| 509 | N | 34.2 | Very low | 39.3 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -157 | 91.2 | 166.4 | -94.6 | -28.5 | 0 | 0 | 0 | 108.2 | N507 | N507-N509 PolarHBondContact O-N 2.94Š| ||
| 510 | S | 35.9 | Very low | 39.6 | Very low | 120 Ų | 120 | 154.4 Ų | 154.4 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -148.9 | 117.1 | 160.8 | -156.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 511 | T | 36.7 | Very low | 39.5 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -64.5 | 141.2 | 171 | 47.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 512 | N | 41 | Very low | 39.9 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -150.2 | 132.6 | 136.9 | -108 | -28.4 | 0 | 0 | 0 | 112.8 | ||||
| 513 | S | 35.3 | Very low | 40 | Very low | 103 Ų | 103 | 154 Ų | 154 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -88.8 | 147.2 | 176 | 159.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 514 | K | 41.8 | Very low | 40.2 | Very low | 176 Ų | 176 | 156 Ų | 156 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | 174.1 | 142.6 | 126.7 | -100.9 | 170.7 | -175.2 | -174.4 | 0 | 115 | |||||
| 515 | H | 43 | Very low | 40.4 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | 62.8 | 146.2 | 163 | -66.2 | -76.9 | 0 | 0 | 0 | 117.1 | ||||
| 516 | E | 45.7 | Very low | 40.8 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | cis | -147.6 | 169.1 | 3.6 | -144.1 | 157.3 | -179.7 | 0 | 0 | 112.9 | ||||
| 517 | K | 40.1 | Very low | 40.9 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -92.2 | 154.7 | -174.3 | -60.4 | 175.1 | 176.6 | -178.8 | 0 | 112.8 | ||||
| 518 | S | 46.3 | Very low | 41.1 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | -154.7 | 149.3 | 129.1 | -145 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 519 | D | 41.3 | Very low | 41.5 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -91.5 | 151.6 | -165.2 | -54 | -73.6 | 0 | 0 | 0 | 113.9 | ||||
| 520 | R | 44.7 | Very low | 41.9 | Very low | 249 Ų | 249 | 146.2 Ų | 146.2 | 94% | 0.94 | 77% | 0.772 | S | S | * | * | -169.6 | 142 | 112.6 | -103.1 | 170.4 | -177.7 | -171.6 | 0.4 | 113.5 | |||||
| 521 | S | 38.3 | Very low | 42.2 | Very low | 88 Ų | 88 | 148.9 Ų | 148.9 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | trans | -86.9 | 164 | -178.2 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 522 | F | 41.4 | Very low | 42.3 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | -170.7 | 157.7 | 107.8 | -102.9 | -71.4 | 0 | 0 | 0 | 113.1 | |||||
| 523 | H | 43.4 | Very low | 42 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -47 | 163 | -171.5 | -60.8 | -66.2 | 0 | 0 | 0 | 117.9 | ||||
| 524 | D | 43.8 | Very low | 42.3 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | cis | -149.8 | -177.5 | 3.1 | -139.1 | 38.6 | 0 | 0 | 0 | 109.8 | ||||
| 525 | G | 41.8 | Very low | 42.2 | Very low | 59 Ų | 59 | 148.6 Ų | 148.6 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | cis | 171.8 | -175 | 8.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 526 | K | 46.2 | Very low | 42.1 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | trans | 50.9 | 97.1 | 162.4 | -66.7 | -177.8 | -178.1 | 173.4 | 0 | 122.3 | ||||
| 527 | N | 43.6 | Very low | 41.7 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | 93.1 | 90.6 | 116.4 | -62.4 | -4.6 | 0 | 0 | 0 | 122.6 | |||||
| 528 | H | 41.2 | Very low | 41.7 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | 40.9 | 120.2 | 120.6 | -68.6 | -79.5 | 0 | 0 | 0 | 121.8 | |||||
| 529 | T | 45.4 | Very low | 41.3 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | -178.8 | 126.5 | 96.8 | 25.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 530 | P | 42.3 | Very low | 41.3 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | -112.8 | 142.3 | 166.3 | 36.3 | -26.8 | 0 | 0 | 0 | 112.1 | ||||
| 531 | L | 42.7 | Very low | 41 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -147.2 | 152.9 | 166.9 | -162.9 | 56.9 | 0 | 0 | 0 | 113.6 | ||||
| 532 | E | 38.2 | Very low | 41.2 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | -88.4 | 168.4 | -162.3 | -69.1 | -167.6 | 112 | 0 | 0 | 118 | ||||
| 533 | N | 34.5 | Very low | 40.9 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | trans | 66.3 | 104.3 | 134.7 | -73.3 | -29 | 0 | 0 | 0 | 122 | ||||
| 534 | A | 42.2 | Very low | 40.9 | Very low | 100 Ų | 100 | 142 Ų | 142 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -144.6 | 103.3 | 139.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 535 | K | 40.8 | Very low | 40.7 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | 61.3 | 104 | 79.5 | -79.6 | -178.6 | 178.8 | 166.8 | 0 | 116.9 | |||||
| 536 | K | 41.1 | Very low | 40.3 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | 76.7 | 114.4 | 127.3 | -76.1 | -169 | 172.7 | -172.3 | 0 | 122.2 | |||||
| 537 | M | 36.1 | Very low | 40.3 | Very low | 153 Ų | 153 | 150 Ų | 150 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | 91.4 | 149.4 | 125.6 | -66.9 | -174.9 | 77.5 | 0 | 0 | 121.7 | |||||
| 538 | L | 40.2 | Very low | 39.9 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | 73.6 | 130.6 | 173.9 | -47.7 | 176.1 | 0 | 0 | 0 | 114 | ||||
| 539 | S | 39.2 | Very low | 39.8 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | cis | -168.3 | 177.1 | 35.6 | -168.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 540 | S | 40.8 | Very low | 39.5 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 52.6 | 106.5 | 164.2 | 52.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 541 | R | 39 | Very low | 39.4 | Very low | 228 Ų | 228 | 151 Ų | 151 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | cis | 64.6 | 107.3 | 38.7 | -150.7 | -170.9 | -156.9 | -169.5 | 6.7 | 112.9 | ||||
| 542 | N | 41.2 | Very low | 39.5 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | -168.1 | 133.6 | 120 | -93.4 | -16 | 0 | 0 | 0 | 113.2 | |||||
| 543 | S | 35.4 | Very low | 39.7 | Very low | 96 Ų | 96 | 149.3 Ų | 149.3 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -88 | 166.1 | 167.9 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 544 | S | 42.5 | Very low | 40.2 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -154.1 | 144.8 | 145.2 | -91.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 545 | N | 39.9 | Very low | 40 | Very low | 155 Ų | 155 | 155.7 Ų | 155.7 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -92.9 | 160.1 | -165.2 | -71.2 | -39.3 | 0 | 0 | 0 | 113 | ||||
| 546 | R | 34.4 | Very low | 40 | Very low | 222 Ų | 222 | 154.8 Ų | 154.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -89.9 | 127.6 | 158.8 | 173.3 | -167.3 | -65.2 | -167.5 | -1.1 | 108.2 | ||||
| 547 | I | 45.3 | Very low | 39.7 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -170.2 | 147.8 | 150.1 | -96.9 | 146.2 | 0 | 0 | 0 | 108.6 | ||||
| 548 | Y | 35.6 | Very low | 40 | Very low | 219 Ų | 219 | 150 Ų | 150 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -82.7 | 155.8 | -178.6 | -66 | -101.5 | 0 | 0 | 0 | 112 | ||||
| 549 | S | 38.7 | Very low | 39.6 | Very low | 98 Ų | 98 | 153.5 Ų | 153.5 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | 165.3 | 120 | 115.7 | -162.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 550 | T | 38.9 | Very low | 39.7 | Very low | 110 Ų | 110 | 154 Ų | 154 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | trans | 61.9 | 138.7 | 137.4 | 58 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 551 | M | 41.5 | Very low | 39.7 | Very low | 151 Ų | 151 | 158 Ų | 158 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | 69.7 | 144.1 | 162.6 | -55.3 | -56.8 | 134.2 | 0 | 0 | 117.1 | ||||
| 552 | K | 44.5 | Very low | 39.4 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | cis | -156.4 | 165.1 | -24.9 | -120.9 | 178.8 | -178.8 | 177.7 | 0 | 106.6 | ||||
| 553 | P | 42.9 | Very low | 39.4 | Very low | 111 Ų | 111 | 154.7 Ų | 154.7 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | trans | -89.5 | 162.7 | -161.6 | 36.5 | -37 | 0 | 0 | 0 | 114.2 | ||||
| 554 | N | 43.9 | Very low | 39.6 | Very low | 170 Ų | 170 | 157 Ų | 157 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -146.2 | 151.5 | 148.1 | -112.7 | -25.2 | 0 | 0 | 0 | 113.4 | ||||
| 555 | K | 38.8 | Very low | 39.6 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -87.6 | 152.3 | -170.8 | -62.1 | 167.6 | 176.3 | 174.7 | 0 | 112 | ||||
| 556 | L | 39.7 | Very low | 39.7 | Very low | 164 Ų | 164 | 159 Ų | 159 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | 167.5 | 111.6 | 128.3 | -106.8 | 76.8 | 0 | 0 | 0 | 105.8 | |||||
| 557 | S | 34.8 | Very low | 39.9 | Very low | 113 Ų | 113 | 157.8 Ų | 157.8 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | 68.5 | 86.9 | 65.9 | -175 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 558 | S | 41.8 | Very low | 39.5 | Very low | 121 Ų | 121 | 153.3 Ų | 153.3 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -161.2 | 124 | 141.8 | 42 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 559 | Y | 33.4 | Very low | 39.6 | Very low | 233 Ų | 233 | 150.2 Ų | 150.2 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | trans | -95.3 | 143.4 | 173.1 | -92.9 | -92.4 | 0 | 0 | 0 | 110.5 | ||||
| 560 | S | 40 | Very low | 40.1 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -169 | 146.4 | 149.2 | -80.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 561 | K | 40.8 | Very low | 40.1 | Very low | 188 Ų | 188 | 152.6 Ų | 152.6 | 82% | 0.817 | 83% | 0.829 | S | S | * | * | cis | -176.7 | 131.4 | -19.5 | -175.2 | 175.1 | -175.8 | -179.1 | 0 | 101.3 | ||||
| 562 | P | 33.6 | Very low | 40.5 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 138.5 | -168.8 | 30.2 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 563 | Q | 40.9 | Very low | 40.6 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 128.1 | 166.6 | -89.3 | -176.8 | -32.9 | 0 | 0 | 110.5 | ||
| 564 | T | 39.8 | Very low | 41 | Very low | 143 Ų | 143 | 152.9 Ų | 152.9 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 134.3 | 169.6 | 33.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 565 | V | 41.7 | Very low | 40.8 | Very low | 142 Ų | 142 | 150 Ų | 150 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -95 | 124.6 | 168.9 | 179 | 0 | 0 | 0 | 0 | 109 | ||
| 566 | Q | 42.8 | Very low | 41.4 | Very low | 183 Ų | 183 | 148.7 Ų | 148.7 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 131.1 | -179.5 | -170.3 | 175.3 | 1.8 | 0 | 0 | 109.6 | G568 | Q566-G568 PolarHBondContact O-N 3.22Š|
| 567 | H | 37.2 | Very low | 41.2 | Very low | 196 Ų | 196 | 144.6 Ų | 144.6 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 118.7 | 176.6 | -77.4 | -67.3 | 0 | 0 | 0 | 111.1 | ||
| 568 | G | 36.9 | Very low | 41.5 | Very low | 72 Ų | 72 | 145 Ų | 145 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | trans | -112.3 | 123.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q566 | Q566-G568 PolarHBondContact O-N 3.22Š| ||
| 569 | I | 38.4 | Very low | 41.4 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | trans | -85.7 | 128.7 | 175 | -60.8 | 166.3 | 0 | 0 | 0 | 108.5 | T571 | I569-T571 PolarHBondContact O-N 2.84Š| ||
| 570 | P | 48.9 | Very low | 41.7 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -86.3 | 107.2 | 168.8 | 11.8 | 4.1 | 0 | 0 | 0 | 110.5 | ||||
| 571 | T | 39.2 | Very low | 41.7 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -77.9 | 121.7 | 165.4 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | I569 | I569-T571 PolarHBondContact O-N 2.84Š| ||
| 572 | G | 51.1 | Low | 41.4 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | trans | -116.3 | 118.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 573 | N | 44.7 | Very low | 41.8 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -81.7 | 132.7 | 172.5 | -78.5 | -11.9 | 0 | 0 | 0 | 110.9 | ||||
| 574 | Y | 51.6 | Low | 41.8 | Very low | 225 Ų | 225 | 141.1 Ų | 141.1 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -123.8 | 127 | 162 | -80.1 | -80.4 | 0 | 0 | 0 | 110.2 | ||||
| 575 | P | 41.1 | Very low | 41.8 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | trans | -80.2 | 166.2 | 169.9 | 34.1 | -33.4 | 0 | 0 | 0 | 111.5 | ||||
| 576 | N | 50.8 | Low | 41.7 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 69 | 72.7 | 173 | -64.1 | -6.4 | 0 | 0 | 0 | 117.5 | ||
| 577 | G | 35.7 | Very low | 41.7 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 57.6 | 82 | 110.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 578 | S | 40.2 | Very low | 41.8 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -148.1 | 124.7 | 148.4 | -83.5 | 0 | 0 | 0 | 0 | 110.3 | A580 | S578-A580 PolarHBondContact O-N 3.48Š| ||
| 579 | K | 41 | Very low | 42 | Very low | 214 Ų | 214 | 144.2 Ų | 144.2 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | trans | -78.7 | 106.5 | -177.9 | -68 | 177.5 | 178.4 | 177.7 | 0 | 110 | ||||
| 580 | A | 39.1 | Very low | 42.2 | Very low | 91 Ų | 91 | 145.4 Ų | 145.4 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -91.1 | 109.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S578 V582 | S578-A580 PolarHBondContact O-N 3.48Å; A580-V582 PolarHBondContact O-N 2.79Å | ||
| 581 | M | 39.6 | Very low | 41.7 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 116.3 | 167.9 | -76.2 | -167.6 | -70.3 | 0 | 0 | 109.3 | ||||
| 582 | V | 36.1 | Very low | 41.9 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | trans | -94.5 | 104.2 | 170.8 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | A580 I584 | A580-V582 PolarHBondContact O-N 2.79Å; V582-I584 HydrophobicContact CG1-CG1 3.95Å; V582-I584 PolarHBondContact O-N 2.99Å; V582-I584 VanDerWaalsContact O-N 3.14Å | ||
| 583 | N | 40 | Very low | 41.5 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 98.2 | 169.5 | -79.6 | -12.7 | 0 | 0 | 0 | 109.4 | L585 | N583-L585 PolarHBondContact O-N 3.26Š| ||
| 584 | I | 41.2 | Very low | 41.2 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -79.4 | 100.9 | 171 | -55.4 | 178.6 | 0 | 0 | 0 | 108.3 | V582 V586 | V582-I584 HydrophobicContact CG1-CG1 3.95Å; V582-I584 PolarHBondContact O-N 2.99Å; V582-I584 VanDerWaalsContact O-N 3.14Å; I584-V586 HydrophobicContact CG2-CG2 3.87Å; I584-V586 PolarHBondContact O-N 3.14Å; I584-V586 VanDerWaalsContact O-N 3.12Å | ||
| 585 | L | 41.2 | Very low | 40.7 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -77.7 | 94.3 | 170.5 | -173.2 | 67.2 | 0 | 0 | 0 | 109.6 | N583 H587 | N583-L585 PolarHBondContact O-N 3.26Å; L585-H587 PolarHBondContact O-N 3.46Å | ||
| 586 | V | 39.6 | Very low | 40.5 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 65% | 0.648 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 111.2 | 171.5 | -179 | 0 | 0 | 0 | 0 | 109 | I584 R588 | I584-V586 HydrophobicContact CG2-CG2 3.87Å; I584-V586 PolarHBondContact O-N 3.14Å; I584-V586 VanDerWaalsContact O-N 3.12Å; V586-R588 HydrophobicContact CG1-CB 4.41Å | ||
| 587 | H | 42.8 | Very low | 39.9 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | -93.4 | 106.4 | 164.5 | -90.1 | 17.5 | 0 | 0 | 0 | 110.2 | L585 | L585-H587 PolarHBondContact O-N 3.46Š| ||
| 588 | R | 39.2 | Very low | 39.8 | Very low | 223 Ų | 223 | 147.3 Ų | 147.3 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -110 | 97.9 | 175.8 | -170.2 | -173.9 | -161.3 | -175.5 | 6.5 | 107.9 | V586 | V586-R588 HydrophobicContact CG1-CB 4.41Š| ||
| 589 | H | 41.4 | Very low | 39.8 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 126.8 | 169.1 | -92.9 | -83.2 | 0 | 0 | 0 | 110.7 | ||
| 590 | Q | 42.3 | Very low | 39.4 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 155.7 | 178.9 | -69 | 162.6 | -74 | 0 | 0 | 111.3 | ||
| 591 | T | 37.3 | Very low | 39.7 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 140.7 | 167.5 | 41.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 592 | G | 44.6 | Very low | 39.6 | Very low | 76 Ų | 76 | 148.1 Ų | 148.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -138.9 | 135.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 593 | N | 41.4 | Very low | 40.1 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -86.9 | 150.4 | -165 | -82.5 | -37.6 | 0 | 0 | 0 | 115.2 | ||||
| 594 | Q | 38.2 | Very low | 40.2 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | 19.7 | 124 | 142.1 | -54.3 | -178 | 39.1 | 0 | 0 | 119.9 | ||||
| 595 | I | 42.1 | Very low | 40 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -138.9 | 139.2 | 130.5 | -60.2 | -173.3 | 0 | 0 | 0 | 108.4 | ||||
| 596 | N | 37.1 | Very low | 39.8 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | trans | -80.5 | 149.7 | 178 | -59 | -47.2 | 0 | 0 | 0 | 112.5 | ||||
| 597 | S | 37 | Very low | 39.7 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -169.9 | 124.2 | 139.5 | -88.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 598 | T | 34.9 | Very low | 39.7 | Very low | 134 Ų | 134 | 150.3 Ų | 150.3 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -99.9 | 142.7 | 170.5 | 45.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 599 | E | 39.6 | Very low | 39.8 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | -169.3 | 158.3 | 129 | -111.3 | 174.2 | 177.1 | 0 | 0 | 114.1 | |||||
| 600 | N | 33.6 | Very low | 39.8 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -99.2 | 156.1 | -174.8 | -61.8 | -66.1 | 0 | 0 | 0 | 111.8 | ||||
| 601 | V | 43.8 | Very low | 40 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -136.8 | 114.4 | 144.9 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 602 | N | 37.8 | Very low | 40.1 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | -92.4 | 141.8 | 163.7 | -82.4 | -38.1 | 0 | 0 | 0 | 109.4 | ||||
| 603 | T | 47.7 | Very low | 40.4 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -140.9 | 139.3 | 156.1 | 42 | 0 | 0 | 0 | 0 | 112 | ||||
| 604 | H | 41.1 | Very low | 40.8 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -80.3 | 162 | -168.3 | -86.6 | -109.3 | 0 | 0 | 0 | 114.7 | ||||
| 605 | K | 36.8 | Very low | 41 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -106.6 | 128.5 | 160.7 | -91.3 | -175.3 | 174.4 | 178.8 | 0 | 111.8 | ||||
| 606 | S | 37.2 | Very low | 40.9 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -163 | 148.4 | 161.6 | -43 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 607 | T | 38.9 | Very low | 41.1 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | cis | -162.1 | 145.2 | 3 | -9.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 608 | T | 42.7 | Very low | 41.3 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | 44.9 | 124 | 146.1 | 52.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 609 | N | 40.9 | Very low | 41.5 | Very low | 150 Ų | 150 | 141 Ų | 141 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | 87.5 | 106.7 | 122.2 | -64.8 | 5.1 | 0 | 0 | 0 | 123 | |||||
| 610 | S | 41.6 | Very low | 41.4 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | 113.1 | 131.4 | 109 | -160.9 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 611 | T | 45.2 | Very low | 41.8 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | 72.2 | 129.2 | 150.8 | 20 | 0 | 0 | 0 | 0 | 121 | ||||
| 612 | G | 39.4 | Very low | 41.6 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 141.1 | 119 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 613 | I | 51.3 | Low | 41.8 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -111.8 | -176.1 | -173.8 | -14.2 | 179.8 | 0 | 0 | 0 | 111 | ||||
| 614 | P | 50 | Low | 41.8 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | -118.6 | -171.3 | -124.4 | 42 | -24 | 0 | 0 | 0 | 113.8 | |||||
| 615 | Y | 41.8 | Very low | 42.1 | Very low | 223 Ų | 223 | 134.5 Ų | 134.5 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | -171 | 171.9 | 125.4 | -110.1 | -77.4 | 0 | 0 | 0 | 112.1 | |||||
| 616 | S | 41.3 | Very low | 43 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | trans | -76.3 | 157.7 | -166.4 | 53.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 617 | H | 41.4 | Very low | 43.3 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | 164.6 | 134.4 | 93.5 | -162.2 | 56.2 | 0 | 0 | 0 | 113.9 | |||||
| 618 | C | 40.1 | Very low | 43.6 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 60% | 0.595 | 76% | 0.761 | S | S | * | * | trans | 62.5 | 138.9 | 145.1 | -93.4 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 619 | Q | 40.2 | Very low | 43.9 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 90.9 | 110.9 | 139.7 | -72.5 | -173.8 | -13.4 | 0 | 0 | 122.5 | ||||
| 620 | H | 37.1 | Very low | 43.9 | Very low | 166 Ų | 166 | 139 Ų | 139 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 25.5 | 135.2 | 136.9 | -61.7 | -73.6 | 0 | 0 | 0 | 121.4 | ||||
| 621 | N | 40.8 | Very low | 44.2 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | -168.2 | 135.9 | 115.3 | -99.7 | -34.5 | 0 | 0 | 0 | 113.5 | |||||
| 622 | L | 40.9 | Very low | 44.2 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | 59.9 | 153.7 | 137.7 | -57.7 | 170.9 | 0 | 0 | 0 | 118.3 | ||||
| 623 | S | 41.2 | Very low | 44.6 | Very low | 99 Ų | 99 | 145.5 Ų | 145.5 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | cis | -160.6 | 156.3 | 1.8 | 176.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 624 | S | 48.3 | Very low | 44.5 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | 176.8 | 139.1 | 64.2 | -53.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 625 | T | 46.8 | Very low | 44.3 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | trans | -150.4 | 136.2 | 155.4 | 35.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 626 | P | 56.2 | Low | 44.6 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | trans | -89.4 | 141.5 | 167.2 | 34.2 | -30.2 | 0 | 0 | 0 | 111 | ||||
| 627 | R | 43.3 | Very low | 45 | Very low | 226 Ų | 226 | 147.3 Ų | 147.3 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | 61.5 | 129.2 | 66.7 | -96.6 | -169.2 | -171.8 | -143 | 3.3 | 111.9 | |||||
| 628 | L | 45.9 | Very low | 45.6 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | cis | -141.3 | 166.1 | 10.3 | -74.5 | 152.5 | 0 | 0 | 0 | 107.7 | ||||
| 629 | Y | 48.8 | Very low | 45.8 | Very low | 204 Ų | 204 | 152.6 Ų | 152.6 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | -165.7 | 147.7 | 58.8 | -128.6 | -90.2 | 0 | 0 | 0 | 110.5 | |||||
| 630 | S | 40.2 | Very low | 46.1 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -141.8 | 137.7 | 169 | -59.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 631 | D | 48.4 | Very low | 46.6 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -162 | 135.8 | 145.1 | -89.5 | -35.6 | 0 | 0 | 0 | 107.2 | ||||
| 632 | S | 44.9 | Very low | 47 | Very low | 77 Ų | 77 | 151.8 Ų | 151.8 | 54% | 0.538 | 79% | 0.79 | S | S | . | * | cis | 144.3 | 139.1 | -16.5 | -83.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 633 | Y | 46.7 | Very low | 47.4 | Very low | 229 Ų | 229 | 151.3 Ų | 151.3 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | 70.9 | 154.6 | 173.7 | -61.6 | -88.1 | 0 | 0 | 0 | 119.9 | ||||
| 634 | S | 49.3 | Very low | 47.8 | Very low | 102 Ų | 102 | 154.7 Ų | 154.7 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | cis | -171.1 | 147.2 | -46.1 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 635 | H | 46.3 | Very low | 47.7 | Very low | 149 Ų | 149 | 158.4 Ų | 158.4 | 69% | 0.69 | 80% | 0.799 | S | S | * | * | trans | -1.7 | 130.2 | 163.7 | -97.5 | 43.2 | 0 | 0 | 0 | 123.2 | ||||
| 636 | R | 47.3 | Very low | 47.8 | Very low | 197 Ų | 197 | 159.8 Ų | 159.8 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | 38.5 | 124.2 | 123 | -60.2 | -174.4 | -178.4 | -166 | 0.1 | 119.8 | |||||
| 637 | H | 51.7 | Low | 47.1 | Very low | 176 Ų | 176 | 163.7 Ų | 163.7 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | -168.9 | 161.1 | 93 | -112.7 | -81.5 | 0 | 0 | 0 | 112.3 | |||||
| 638 | V | 52.3 | Low | 47.4 | Very low | 216 Ų | 216 | 158 Ų | 158 | 100% | 1.309 | 79% | 0.794 | S | S | * | * | trans | 79.5 | 0 | -169.2 | -168.9 | 0 | 0 | 0 | 0 | 113.2 |
Retrieved 638 of 638 residues in 467.9 ms
(Link to these results)