| 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 | 42.3 | Very low | 39.8 | Very low | 243 Ų | 243 | 139.6 Ų | 139.6 | 100% | 1.197 | 85% | 0.846 | S | S | * | * | 0 | 154.7 | 0 | -82.1 | -174.8 | 165.5 | 0 | 0 | 108.4 | |||||
| 2 | A | 35.2 | Very low | 39.8 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 85% | 0.849 | S | S | * | * | trans | 62.2 | 112.5 | -153.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3 | V | 37.5 | Very low | 39.7 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | cis | 91.7 | 133 | 33.1 | -175.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 4 | A | 39.4 | Very low | 39.2 | Very low | 83 Ų | 83 | 141.1 Ų | 141.1 | 69% | 0.686 | 83% | 0.833 | S | S | * | * | trans | -88.4 | -173.6 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 5 | P | 57.2 | Low | 39.1 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 87% | 0.87 | 84% | 0.836 | S | S | * | * | -136.8 | -171.4 | 95.4 | 39.5 | -27.4 | 0 | 0 | 0 | 114.4 | |||||
| 6 | A | 40.3 | Very low | 39.2 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -131.2 | 177.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 7 | S | 41.3 | Very low | 39.2 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 83% | 0.826 | S | S | * | * | 164.6 | 164.1 | 123.1 | 56.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 8 | M | 33 | Very low | 39.2 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | trans | 67.6 | 124.6 | 161.5 | -54.9 | -50.3 | -174.7 | 0 | 0 | 120.4 | ||||
| 9 | A | 36.8 | Very low | 39.3 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -140.1 | 144.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 10 | D | 37 | Very low | 39.2 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | trans | 176 | 138.3 | 154.1 | -99.6 | -24.7 | 0 | 0 | 0 | 111.2 | ||||
| 11 | K | 38 | Very low | 39.2 | Very low | 202 Ų | 202 | 146 Ų | 146 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | trans | 165.5 | 105.3 | 154.9 | -96.8 | 159.5 | -175.1 | 176.6 | 0 | 111.3 | ||||
| 12 | I | 40.2 | Very low | 38.7 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -131.4 | 151.3 | 158.7 | -63 | -177.4 | 0 | 0 | 0 | 106.8 | ||||
| 13 | I | 37.9 | Very low | 38.7 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -113 | 145.1 | -167.3 | -65 | 172.4 | 0 | 0 | 0 | 110.3 | ||||
| 14 | V | 32.7 | Very low | 38.5 | Very low | 112 Ų | 112 | 144 Ų | 144 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | trans | -95.6 | 151.8 | 178.7 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 15 | L | 37.2 | Very low | 38.1 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | trans | -138.8 | 127.1 | 160.3 | -71.4 | 176.3 | 0 | 0 | 0 | 109.9 | ||||
| 16 | D | 41.8 | Very low | 36.9 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -86.3 | 177.9 | 169.2 | -37.9 | -50.8 | 0 | 0 | 0 | 108.6 | ||||
| 17 | D | 39.3 | Very low | 36.3 | Very low | 150 Ų | 150 | 153.7 Ų | 153.7 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | cis | -167.6 | 162.8 | -18.1 | -111.4 | -16.6 | 0 | 0 | 0 | 106.1 | ||||
| 18 | E | 39.5 | Very low | 36.2 | Very low | 190 Ų | 190 | 153.9 Ų | 153.9 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | 175.7 | 139 | 135.7 | -100.4 | -178.5 | -175.1 | 0 | 0 | 113.8 | ||||
| 19 | D | 40.1 | Very low | 36 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -51.2 | 158.6 | -172.7 | -50.7 | -48.3 | 0 | 0 | 0 | 120.4 | ||||
| 20 | D | 37 | Very low | 36.5 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | -165.4 | 163.8 | 104.7 | -144.4 | -20.6 | 0 | 0 | 0 | 112.9 | |||||
| 21 | D | 39.7 | Very low | 36.1 | Very low | 138 Ų | 138 | 149.3 Ų | 149.3 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -76.3 | 151 | -161.8 | -76.9 | -38 | 0 | 0 | 0 | 118.3 | ||||
| 22 | N | 32.3 | Very low | 35.6 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | 174.2 | 157.7 | 107.8 | -97.7 | -93 | 0 | 0 | 0 | 115.3 | |||||
| 23 | D | 34.1 | Very low | 35.1 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -76.9 | 155.5 | -170.4 | -71.8 | -76.7 | 0 | 0 | 0 | 117.8 | ||||
| 24 | V | 33.3 | Very low | 34.7 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | 178.1 | 147.9 | 103.3 | 155.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 25 | E | 32.6 | Very low | 34.7 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -52.1 | 166.2 | 178.3 | -50 | -172.8 | 136.4 | 0 | 0 | 115.2 | ||||
| 26 | Q | 30.3 | Very low | 34.3 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | cis | -166.4 | 156.5 | 40.3 | -146.6 | 161.4 | 78.7 | 0 | 0 | 113.7 | ||||
| 27 | R | 27.8 | Very low | 33.7 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | trans | -123.7 | 159.9 | 175.3 | -156 | 167.3 | 178.1 | -91.2 | -3.5 | 106.2 | ||||
| 28 | P | 40.3 | Very low | 33.4 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -152.2 | 163.7 | 31.9 | 43.3 | -21.4 | 0 | 0 | 0 | 121.5 | ||||
| 29 | Q | 28.8 | Very low | 32.9 | Very low | 137 Ų | 137 | 149 Ų | 149 | 64% | 0.64 | 77% | 0.772 | S | S | * | * | -4.8 | 171.8 | 126.9 | -88.6 | -170.9 | -3.5 | 0 | 0 | 121.6 | |||||
| 30 | P | 47.4 | Very low | 32.3 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | cis | -143.3 | -165.3 | -15.2 | 34.9 | -11.9 | 0 | 0 | 0 | 115.7 | ||||
| 31 | S | 27.2 | Very low | 31.8 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | 86.1 | 121.5 | 148.1 | -64.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 32 | S | 27.5 | Very low | 32 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | 58.7 | 151.9 | 108.9 | 110 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 33 | S | 29.9 | Very low | 32.4 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | cis | -169.3 | 175.7 | -1.8 | 33 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 34 | E | 30.4 | Very low | 32.1 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | 82.9 | 156.9 | 158.2 | -60.8 | -159.4 | 124.3 | 0 | 0 | 121.7 | ||||
| 35 | H | 32.5 | Very low | 32 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | trans | -94.5 | 153.5 | -161.6 | -50.5 | -100.4 | 0 | 0 | 0 | 114.7 | ||||
| 36 | R | 28.8 | Very low | 31.8 | Very low | 252 Ų | 252 | 146 Ų | 146 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | -156.8 | 158.5 | 126.4 | -135.2 | 172.1 | -179.2 | 171.3 | 0.8 | 113.1 | |||||
| 37 | A | 29.8 | Very low | 31.7 | Very low | 86 Ų | 86 | 145.9 Ų | 145.9 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -129.4 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 38 | R | 32.6 | Very low | 32 | Very low | 229 Ų | 229 | 143.8 Ų | 143.8 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | 99 | 140.6 | -173.5 | -63.1 | -179.2 | 174.5 | -176.4 | -2.4 | 113.4 | ||||
| 39 | N | 28.1 | Very low | 31.4 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | -166.7 | 164.4 | -4.1 | -116.8 | 8.4 | 0 | 0 | 0 | 113.1 | ||||
| 40 | V | 27.6 | Very low | 31.8 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 77.9 | 146.3 | 154.6 | 170.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 41 | S | 27.9 | Very low | 30.9 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -135.5 | -157.7 | -175.9 | -26.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 42 | P | 43.1 | Very low | 31.5 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | -111.6 | -131.6 | -58.8 | 39.7 | -22.7 | 0 | 0 | 0 | 107.4 | |||||
| 43 | P | 41 | Very low | 31.7 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | cis | -125 | -175.3 | -37.9 | 40.2 | -25.8 | 0 | 0 | 0 | 113 | ||||
| 44 | K | 27.1 | Very low | 32.4 | Very low | 205 Ų | 205 | 152.3 Ų | 152.3 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -156.5 | 145.3 | 133.7 | -120 | 174.2 | -177.6 | -177.6 | 0 | 112.5 | ||||
| 45 | N | 30.4 | Very low | 32.7 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -153.5 | 134.1 | -177.1 | -178.7 | 15 | 0 | 0 | 0 | 108.1 | ||||
| 46 | Q | 30.1 | Very low | 32.9 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | 169.8 | 145.5 | 174.2 | -100.8 | 160.6 | 6.4 | 0 | 0 | 108.5 | ||||
| 47 | H | 27.8 | Very low | 33.5 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 78% | 0.782 | 74% | 0.742 | S | S | * | * | cis | -157.1 | 162.3 | -20.8 | -160.1 | -94.9 | 0 | 0 | 0 | 109.9 | ||||
| 48 | L | 34.3 | Very low | 34 | Very low | 137 Ų | 137 | 142 Ų | 142 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | trans | -72.8 | 141 | 169.8 | -177 | 74.2 | 0 | 0 | 0 | 111.5 | ||||
| 49 | V | 26.8 | Very low | 34.3 | Very low | 128 Ų | 128 | 134 Ų | 134 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -137.4 | 131.6 | 155.2 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 50 | Q | 38.2 | Very low | 35.5 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 65% | 0.654 | 71% | 0.712 | S | S | * | * | trans | -98.3 | 136 | 177.1 | 165.7 | -176.5 | -24.2 | 0 | 0 | 109.3 | H52 | Q50-H52 PolarHBondContact NE2-CE1 3.49Å; Q50-H52 PolarHBondContact NE2-NE2 3.08Å | ||
| 51 | T | 28.6 | Very low | 36.6 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | trans | -138.5 | 146.4 | 167.5 | 49.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 52 | H | 39.5 | Very low | 38.1 | Very low | 159 Ų | 159 | 130 Ų | 130 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | trans | -105.9 | 127.2 | -176.8 | -60.4 | -111.2 | 0 | 0 | 0 | 109.5 | Q50 | Q50-H52 PolarHBondContact NE2-CE1 3.49Å; Q50-H52 PolarHBondContact NE2-NE2 3.08Å | ||
| 53 | I | 32.2 | Very low | 39.3 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | trans | -137.4 | 127.7 | 167 | -61.6 | -176.4 | 0 | 0 | 0 | 109.1 | Q55 | I53-Q55 HydrophobicContact CG2-CG 4.23Š| ||
| 54 | T | 44.6 | Very low | 40.7 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 86% | 0.859 | 68% | 0.677 | S | S | * | * | trans | -80.9 | 125.3 | 172.9 | 40.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 55 | Q | 35.2 | Very low | 42.9 | Very low | 135 Ų | 135 | 122 Ų | 122 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | trans | -139.2 | 138.7 | 167 | -69.6 | -164.3 | 1.4 | 0 | 0 | 111.5 | I53 | I53-Q55 HydrophobicContact CG2-CG 4.23Š| ||
| 56 | S | 36.6 | Very low | 45.3 | Very low | 73 Ų | 73 | 121.2 Ų | 121.2 | 51% | 0.51 | 64% | 0.641 | S | S | . | * | trans | -66.9 | 141.3 | -179.8 | 168.4 | 0 | 0 | 0 | 0 | 112.4 | F58 S59 | S56-F58 PolarHBondContact O-N 3.49Å; S56-F58 VanDerWaalsContact O-N 3.14Å; S56-S59 PolarHBondContact O-N 3.47Å; S56-S59 VanDerWaalsContact O-N 3.07Å | ||
| 57 | P | 41.7 | Very low | 47.9 | Very low | 99 Ų | 99 | 116.1 Ų | 116.1 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -27.6 | -174.2 | 22.8 | -34.2 | 0 | 0 | 0 | 114.2 | S59 S60 | P57-S59 PolarHBondContact O-N 3.02Å; P57-S59 VanDerWaalsContact O-N 3.15Å; P57-S60 WeakPolarHBondContact O-CB 3.38Å; P57-S60 PolarHBondContact O-N 2.94Å; P57-S60 VanDerWaalsContact O-N 3.08Å; P57-S60 PolarHBondContact O-OG 2.98Å |
| 58 | F | 40.8 | Very low | 50.8 | Low | 185 Ų | 185 | 109.5 Ų | 109.5 | 81% | 0.811 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64 | -17.7 | 177.4 | -83.4 | -88.2 | 0 | 0 | 0 | 114.1 | S56 S60 | S56-F58 PolarHBondContact O-N 3.49Å; S56-F58 VanDerWaalsContact O-N 3.14Å; F58-S60 VanDerWaalsContact C-N 3.34Å |
| 59 | S | 38.1 | Very low | 53.4 | Low | 60 Ų | 60 | 107.7 Ų | 107.7 | 42% | 0.42 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -80.4 | -10.6 | 175.2 | -68 | 0 | 0 | 0 | 0 | 114.2 | S56 P57 K63 | S56-S59 PolarHBondContact O-N 3.47Å; S56-S59 VanDerWaalsContact O-N 3.07Å; P57-S59 PolarHBondContact O-N 3.02Å; P57-S59 VanDerWaalsContact O-N 3.15Å; S59-K63 WeakPolarHBondContact O-CD 3.48Å; S59-K63 WeakPolarHBondContact O-CE 3.19Å; S59-K63 WeakPolarHBondContact O-CG 3.37Å |
| 60 | S | 53.2 | Low | 56.5 | Low | 59 Ų | 59 | 106.5 Ų | 106.5 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -83.7 | -47.4 | -176.8 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | P57 F58 K62 K63 I64 | P57-S60 WeakPolarHBondContact O-CB 3.38Å; P57-S60 PolarHBondContact O-N 2.94Å; P57-S60 VanDerWaalsContact O-N 3.08Å; P57-S60 PolarHBondContact O-OG 2.98Å; F58-S60 VanDerWaalsContact C-N 3.34Å; S60-K62 VanDerWaalsContact C-N 3.33Å; S60-K62 PolarHBondContact O-N 3.28Å; S60-K63 WeakPolarHBondContact O-CA 3.41Å; S60-K63 WeakPolarHBondContact O-CB 3.32Å; S60-K63 PolarHBondContact O-N 2.94Å; S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.24Å |
| 61 | A | 51.8 | Low | 59 | Low | 64 Ų | 64 | 103.8 Ų | 103.8 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -55.9 | -43.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K63 I64 A65 | A61-K63 VanDerWaalsContact C-N 3.29Å; A61-K63 PolarHBondContact O-N 3.38Å; A61-I64 PolarHBondContact O-N 3.46Å; A61-A65 WeakPolarHBondContact O-CB 3.25Å; A61-A65 PolarHBondContact O-N 3Å |
| 62 | K | 59.5 | Low | 62.2 | Low | 162 Ų | 162 | 98 Ų | 98 | 70% | 0.704 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.4 | -19.7 | 178.2 | -158.2 | 168.1 | -173.6 | 172.8 | 0 | 113.4 | S60 K66 | S60-K62 VanDerWaalsContact C-N 3.33Å; S60-K62 PolarHBondContact O-N 3.28Å; K62-K66 WeakPolarHBondContact O-CG 3.36Å |
| 63 | K | 67.6 | Low | 64.8 | Low | 122 Ų | 122 | 94 Ų | 94 | 53% | 0.53 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -80 | -42.7 | 168.9 | -65.7 | 172.6 | -173.2 | 174.9 | 0 | 110.7 | S59 S60 A61 K66 A67 | S59-K63 WeakPolarHBondContact O-CD 3.48Å; S59-K63 WeakPolarHBondContact O-CE 3.19Å; S59-K63 WeakPolarHBondContact O-CG 3.37Å; S60-K63 WeakPolarHBondContact O-CA 3.41Å; S60-K63 WeakPolarHBondContact O-CB 3.32Å; S60-K63 PolarHBondContact O-N 2.94Å; A61-K63 VanDerWaalsContact C-N 3.29Å; A61-K63 PolarHBondContact O-N 3.38Å; K63-K66 PolarHBondContact O-N 3.49Å; K63-A67 WeakPolarHBondContact O-CB 3.49Å; K63-A67 PolarHBondContact O-N 3.18Å |
| 64 | I | 70.8 | Confident | 67.8 | Low | 100 Ų | 100 | 94.2 Ų | 94.2 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 178.8 | -66.1 | 163.7 | 0 | 0 | 0 | 111.3 | S60 A61 K66 A67 L68 | S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.24Å; A61-I64 PolarHBondContact O-N 3.46Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 2.92Å; I64-A67 PolarHBondContact O-N 3.09Å; I64-A67 VanDerWaalsContact O-N 3.13Å; I64-L68 HydrophobicContact CG2-CD1 4.08Å; I64-L68 PolarHBondContact O-N 3.39Å |
| 65 | A | 73.6 | Confident | 70.3 | Confident | 44 Ų | 44 | 89.3 Ų | 89.3 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A61 Q69 | A61-A65 WeakPolarHBondContact O-CB 3.25Å; A61-A65 PolarHBondContact O-N 3Å; A65-Q69 WeakPolarHBondContact O-CB 3.36Å; A65-Q69 PolarHBondContact O-N 3.1Å |
| 66 | K | 79.7 | Confident | 73.2 | Confident | 135 Ų | 135 | 83.1 Ų | 83.1 | 59% | 0.587 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.8 | -37.9 | 173.9 | -76.5 | -173.7 | 172.6 | -165.5 | 0 | 112.7 | K62 K63 I64 Q69 V70 | K62-K66 WeakPolarHBondContact O-CG 3.36Å; K63-K66 PolarHBondContact O-N 3.49Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 2.92Å; K66-Q69 PolarHBondContact O-N 3.05Å; K66-V70 WeakPolarHBondContact O-CG2 3.44Å; K66-V70 PolarHBondContact O-N 2.91Å; K66-V70 VanDerWaalsContact O-N 3.16Å |
| 67 | A | 84.9 | Confident | 76 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 53% | 0.529 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K63 I64 Q69 V70 E71 | K63-A67 WeakPolarHBondContact O-CB 3.49Å; K63-A67 PolarHBondContact O-N 3.18Å; I64-A67 PolarHBondContact O-N 3.09Å; I64-A67 VanDerWaalsContact O-N 3.13Å; A67-Q69 PolarHBondContact O-N 3.4Å; A67-V70 PolarHBondContact O-N 3.42Å; A67-E71 PolarHBondContact O-N 2.84Å |
| 68 | L | 88.8 | Confident | 78.6 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 16% | 0.157 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 174.5 | -74.1 | 170.3 | 0 | 0 | 0 | 112 | I64 V70 E71 N72 V112 | I64-L68 HydrophobicContact CG2-CD1 4.08Å; I64-L68 PolarHBondContact O-N 3.39Å; L68-V70 VanDerWaalsContact C-N 3.32Å; L68-V70 PolarHBondContact O-N 3.33Å; L68-E71 PolarHBondContact O-N 3.01Å; L68-N72 VanDerWaalsContact O-CB 3.24Å; L68-N72 WeakPolarHBondContact O-CB 3.14Å; L68-N72 PolarHBondContact O-N 3.48Å; L68-N72 PolarHBondContact O-OD1 3.5Å; L68-V112 HydrophobicContact CD1-CG2 3.97Å; L68-V112 HydrophobicContact CD2-CG2 4.29Å |
| 69 | Q | 89.4 | Confident | 81.2 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 46% | 0.458 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 175.6 | -170.6 | 179 | 16.7 | 0 | 0 | 112.3 | A65 K66 A67 Q73 | A65-Q69 WeakPolarHBondContact O-CB 3.36Å; A65-Q69 PolarHBondContact O-N 3.1Å; K66-Q69 PolarHBondContact O-N 3.05Å; A67-Q69 PolarHBondContact O-N 3.4Å; Q69-Q73 WeakPolarHBondContact O-CB 3.42Å; Q69-Q73 PolarHBondContact O-N 2.98Å |
| 70 | V | 91.1 | Very high | 83.9 | Confident | 104 Ų | 104 | 71.2 Ų | 71.2 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71.2 | -39.5 | 178.5 | 173 | 0 | 0 | 0 | 0 | 111.6 | K66 A67 L68 K74 | K66-V70 WeakPolarHBondContact O-CG2 3.44Å; K66-V70 PolarHBondContact O-N 2.91Å; K66-V70 VanDerWaalsContact O-N 3.16Å; A67-V70 PolarHBondContact O-N 3.42Å; L68-V70 VanDerWaalsContact C-N 3.32Å; L68-V70 PolarHBondContact O-N 3.33Å; V70-K74 WeakPolarHBondContact O-CB 3.44Å; V70-K74 PolarHBondContact O-N 2.87Å; V70-K74 VanDerWaalsContact O-N 3.07Å |
| 71 | E | 92.4 | Very high | 85.9 | Confident | 83 Ų | 83 | 75.3 Ų | 75.3 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 174.4 | -173.7 | 179 | -140.6 | 0 | 0 | 111.6 | A67 L68 K74 L75 R115 | A67-E71 PolarHBondContact O-N 2.84Å; L68-E71 PolarHBondContact O-N 3.01Å; E71-K74 PolarHBondContact O-N 3.03Å; E71-L75 HydrophobicContact CG-CD1 4.15Å; E71-L75 WeakPolarHBondContact O-CG 3.47Å; E71-L75 PolarHBondContact O-N 3.28Å; E71-R115 IonicContact OE1-NH1 3.07Å; E71-R115 WeakPolarHBondContact OE2-CD 3.28Å; E71-R115 IonicContact OE2-CZ 3.18Å; E71-R115 IonicContact OE2-NE 2.69Å; E71-R115 IonicContact OE2-NH1 2.66Å; E71-R115 PolarHBondContact OE2-NH1 3.49Å |
| 72 | N | 95.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 179.7 | -71.7 | 0.7 | 0 | 0 | 0 | 112.2 | L68 L75 F76 L109 S111 F114 R115 | L68-N72 VanDerWaalsContact O-CB 3.24Å; L68-N72 WeakPolarHBondContact O-CB 3.14Å; L68-N72 PolarHBondContact O-N 3.48Å; L68-N72 PolarHBondContact O-OD1 3.5Å; N72-L75 PolarHBondContact O-N 3.29Å; N72-F76 WeakPolarHBondContact O-CB 3.14Å; N72-F76 PolarHBondContact O-N 3.41Å; N72-L109 PolarHBondContact ND2-O 3.43Å; N72-S111 PolarHBondContact ND2-O 2.87Å; N72-F114 HydrophobicContact CB-CD1 3.98Å; N72-F114 HydrophobicContact CB-CE1 4.12Å; N72-R115 WeakPolarHBondContact OD1-CB 3.28Å; N72-R115 WeakPolarHBondContact OD1-CD 3.42Å; N72-R115 WeakPolarHBondContact OD1-CG 3.43Å |
| 73 | Q | 94.8 | Very high | 89.4 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 175.8 | -178.2 | 59.3 | 60.1 | 0 | 0 | 110.9 | Q69 L75 F76 D77 H101 | Q69-Q73 WeakPolarHBondContact O-CB 3.42Å; Q69-Q73 PolarHBondContact O-N 2.98Å; Q73-L75 PolarHBondContact O-N 3.42Å; Q73-F76 WeakPolarHBondContact O-CB 3.4Å; Q73-F76 PolarHBondContact O-N 3.31Å; Q73-F76 VanDerWaalsContact O-N 3.07Å; Q73-D77 VanDerWaalsContact NE2-CG 3.28Å; Q73-D77 PolarHBondContact NE2-OD1 3.45Å; Q73-D77 PolarHBondContact NE2-OD2 2.8Å; Q73-D77 VanDerWaalsContact O-CG 3.29Å; Q73-D77 PolarHBondContact O-N 3.45Å; Q73-H101 PolarHBondContact OE1-CE1 2.79Å |
| 74 | K | 95 | Very high | 90.6 | Very high | 145 Ų | 145 | 63.8 Ų | 63.8 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.2 | -44.7 | 177 | -174.7 | -165.6 | 170 | -159.7 | 0 | 112.1 | V70 E71 F76 D77 E78 | V70-K74 WeakPolarHBondContact O-CB 3.44Å; V70-K74 PolarHBondContact O-N 2.87Å; V70-K74 VanDerWaalsContact O-N 3.07Å; E71-K74 PolarHBondContact O-N 3.03Å; K74-F76 VanDerWaalsContact C-N 3.26Å; K74-F76 PolarHBondContact O-N 2.89Å; K74-D77 PolarHBondContact O-N 3.13Å; K74-E78 WeakPolarHBondContact O-CB 3.3Å; K74-E78 PolarHBondContact O-N 3.43Å |
| 75 | L | 95.3 | Very high | 91.5 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 20% | 0.199 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -29.9 | 176.3 | -73.1 | 167.8 | 0 | 0 | 0 | 112.5 | E71 N72 Q73 F79 R115 L118 L122 | E71-L75 HydrophobicContact CG-CD1 4.15Å; E71-L75 WeakPolarHBondContact O-CG 3.47Å; E71-L75 PolarHBondContact O-N 3.28Å; N72-L75 PolarHBondContact O-N 3.29Å; Q73-L75 PolarHBondContact O-N 3.42Å; L75-F79 WeakPolarHBondContact O-CB 3.17Å; L75-F79 PolarHBondContact O-N 2.79Å; L75-R115 HydrophobicContact CD1-CG 3.72Å; L75-L118 HydrophobicContact CB-CD2 3.72Å; L75-L118 HydrophobicContact CB-CG 4.25Å; L75-L122 HydrophobicContact CD2-CD2 4.42Å |
| 76 | F | 97.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.5 | -42.1 | 177.3 | -179.5 | -96.5 | 0 | 0 | 0 | 110.9 | N72 Q73 K74 E78 F79 V80 L97 Q98 H101 F114 L118 L139 L143 | N72-F76 WeakPolarHBondContact O-CB 3.14Å; N72-F76 PolarHBondContact O-N 3.41Å; Q73-F76 WeakPolarHBondContact O-CB 3.4Å; Q73-F76 PolarHBondContact O-N 3.31Å; Q73-F76 VanDerWaalsContact O-N 3.07Å; K74-F76 VanDerWaalsContact C-N 3.26Å; K74-F76 PolarHBondContact O-N 2.89Å; F76-E78 VanDerWaalsContact C-N 3.34Å; F76-F79 PolarHBondContact O-N 2.67Å; F76-V80 HydrophobicContact CD1-CG2 4.25Å; F76-V80 HydrophobicContact CE1-CG2 3.84Å; F76-V80 HydrophobicContact CZ-CG2 3.98Å; F76-V80 WeakPolarHBondContact O-CG2 3.39Å; F76-V80 PolarHBondContact O-N 2.96Å; F76-L97 HydrophobicContact CE2-CD1 4.2Å; F76-L97 HydrophobicContact CE2-CD2 4.28Å; F76-L97 HydrophobicContact CE2-CG 4.02Å; F76-L97 HydrophobicContact CZ-CD2 4.37Å; F76-L97 HydrophobicContact CZ-CG 3.98Å; F76-Q98 HydrophobicContact CE1-CG 4.34Å; F76-H101 AromaticContact CD2-CD2 3.6Å; F76-H101 HydrophobicContact CE1-CB 3.99Å; F76-H101 AromaticContact CE1-CG 3.79Å; F76-H101 HydrophobicContact CE2-CB 3.93Å; F76-H101 AromaticContact CE2-CD2 3.63Å; F76-H101 AromaticContact CE2-CG 3.89Å; F76-H101 AromaticContact CG-CD2 3.83Å; F76-H101 AromaticContact CG-NE2 3.85Å; F76-H101 HydrophobicContact CZ-CB 3.5Å; F76-H101 AromaticContact CZ-CD2 3.88Å; F76-H101 AromaticContact CZ-CG 3.66Å; F76-F114 HydrophobicContact CD2-CZ 4.1Å; F76-L118 HydrophobicContact CB-CD2 3.96Å; F76-L118 HydrophobicContact CD2-CD1 4.25Å; F76-L139 HydrophobicContact CD2-CD2 4.47Å; F76-L139 HydrophobicContact CE2-CD2 4.33Å; F76-L143 HydrophobicContact CE2-CD1 4.32Å |
| 77 | D | 95.6 | Very high | 92.7 | Very high | 79 Ų | 79 | 57.1 Ų | 57.1 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 174.5 | -60.9 | -33.9 | 0 | 0 | 0 | 111.2 | Q73 K74 V80 Q81 | Q73-D77 VanDerWaalsContact NE2-CG 3.28Å; Q73-D77 PolarHBondContact NE2-OD1 3.45Å; Q73-D77 PolarHBondContact NE2-OD2 2.8Å; Q73-D77 VanDerWaalsContact O-CG 3.29Å; Q73-D77 PolarHBondContact O-N 3.45Å; K74-D77 PolarHBondContact O-N 3.13Å; D77-V80 PolarHBondContact O-N 3.45Å; D77-Q81 VanDerWaalsContact O-CB 3.3Å; D77-Q81 WeakPolarHBondContact O-CB 3.25Å; D77-Q81 PolarHBondContact O-N 3Å |
| 78 | E | 95.2 | Very high | 92.7 | Very high | 73 Ų | 73 | 59.7 Ų | 59.7 | 34% | 0.341 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 172.4 | -170.8 | 175.2 | 151.8 | 0 | 0 | 112.1 | K74 F76 Q81 H82 L122 | K74-E78 WeakPolarHBondContact O-CB 3.3Å; K74-E78 PolarHBondContact O-N 3.43Å; F76-E78 VanDerWaalsContact C-N 3.34Å; E78-Q81 PolarHBondContact O-N 3.21Å; E78-H82 WeakPolarHBondContact O-CB 3.27Å; E78-H82 PolarHBondContact O-N 3.49Å; E78-L122 HydrophobicContact CG-CD2 4.25Å |
| 79 | F | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 174.4 | -178.2 | -96.9 | 0 | 0 | 0 | 112.9 | L75 F76 Q81 H82 C83 L97 L118 C121 L122 A125 I136 L139 | L75-F79 WeakPolarHBondContact O-CB 3.17Å; L75-F79 PolarHBondContact O-N 2.79Å; F76-F79 PolarHBondContact O-N 2.67Å; F79-Q81 VanDerWaalsContact C-N 3.34Å; F79-H82 PolarHBondContact O-N 3.31Å; F79-C83 VanDerWaalsContact CZ-SG 3.59Å; F79-C83 WeakPolarHBondContact O-CB 3.49Å; F79-C83 PolarHBondContact O-N 2.93Å; F79-C83 PolarHBondContact O-SG 3.03Å; F79-L97 HydrophobicContact CD1-CD2 3.98Å; F79-L97 HydrophobicContact CE1-CD2 3.79Å; F79-L118 HydrophobicContact CB-CD1 3.91Å; F79-L118 HydrophobicContact CG-CD1 4.14Å; F79-C121 HydrophobicContact CD2-CB 4.38Å; F79-C121 HydrophobicContact CE2-CB 3.78Å; F79-C121 HydrophobicContact CZ-CB 4.21Å; F79-L122 HydrophobicContact CB-CD1 4.39Å; F79-L122 HydrophobicContact CD2-CB 4.01Å; F79-L122 HydrophobicContact CD2-CD1 4.15Å; F79-A125 HydrophobicContact CE2-CB 4.07Å; F79-I136 HydrophobicContact CE1-CG1 4.07Å; F79-I136 HydrophobicContact CZ-CG1 4.11Å; F79-L139 HydrophobicContact CD1-CD2 3.58Å; F79-L139 HydrophobicContact CE1-CD2 3.48Å; F79-L139 VanDerWaalsContact CE1-CD2 3.48Å; F79-L139 HydrophobicContact CG-CD2 4.3Å; F79-L139 HydrophobicContact CZ-CD2 4.12Å |
| 80 | V | 95.2 | Very high | 92.3 | Very high | 15 Ų | 15 | 63 Ų | 63 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 175 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | F76 D77 C83 T84 L94 L97 | F76-V80 HydrophobicContact CD1-CG2 4.25Å; F76-V80 HydrophobicContact CE1-CG2 3.84Å; F76-V80 HydrophobicContact CZ-CG2 3.98Å; F76-V80 WeakPolarHBondContact O-CG2 3.39Å; F76-V80 PolarHBondContact O-N 2.96Å; D77-V80 PolarHBondContact O-N 3.45Å; V80-C83 PolarHBondContact O-N 2.84Å; V80-T84 PolarHBondContact O-N 3.26Å; V80-T84 PolarHBondContact O-OG1 3.15Å; V80-L94 HydrophobicContact CG1-CD1 4.34Å; V80-L97 HydrophobicContact CG2-CD2 4.12Å |
| 81 | Q | 94.3 | Very high | 92.1 | Very high | 145 Ų | 145 | 61.4 Ų | 61.4 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 176.4 | -172.7 | 176.8 | 10.7 | 0 | 0 | 111.7 | D77 E78 F79 C83 T84 P85 | D77-Q81 VanDerWaalsContact O-CB 3.3Å; D77-Q81 WeakPolarHBondContact O-CB 3.25Å; D77-Q81 PolarHBondContact O-N 3Å; E78-Q81 PolarHBondContact O-N 3.21Å; F79-Q81 VanDerWaalsContact C-N 3.34Å; Q81-C83 VanDerWaalsContact C-N 3.34Å; Q81-C83 PolarHBondContact O-N 2.92Å; Q81-T84 WeakPolarHBondContact O-CB 3.4Å; Q81-T84 PolarHBondContact O-N 3.34Å; Q81-P85 VanDerWaalsContact O-CD 3.25Å; Q81-P85 WeakPolarHBondContact O-CD 3.3Å |
| 82 | H | 92.7 | Very high | 92 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 20% | 0.204 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 175.2 | -177.3 | 74.3 | 0 | 0 | 0 | 113 | E78 F79 H86 L122 A125 Q126 | E78-H82 WeakPolarHBondContact O-CB 3.27Å; E78-H82 PolarHBondContact O-N 3.49Å; F79-H82 PolarHBondContact O-N 3.31Å; H82-H86 PolarHBondContact O-CE1 3.04Å; H82-H86 PolarHBondContact O-ND1 3.4Å; H82-L122 HydrophobicContact CB-CD1 4.25Å; H82-A125 PolarHBondContact NE2-O 2.76Å; H82-Q126 PolarHBondContact NE2-N 2.85Å |
| 83 | C | 92.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -75.2 | -24.6 | 176.9 | -67.2 | 0 | 0 | 0 | 0 | 113.9 | F79 V80 Q81 H86 T87 L94 T132 I136 | F79-C83 VanDerWaalsContact CZ-SG 3.59Å; F79-C83 WeakPolarHBondContact O-CB 3.49Å; F79-C83 PolarHBondContact O-N 2.93Å; F79-C83 PolarHBondContact O-SG 3.03Å; V80-C83 PolarHBondContact O-N 2.84Å; Q81-C83 VanDerWaalsContact C-N 3.34Å; Q81-C83 PolarHBondContact O-N 2.92Å; C83-H86 CarbonylContact O-C 3.56Å; C83-H86 PolarHBondContact O-N 2.85Å; C83-H86 VanDerWaalsContact O-N 3.08Å; C83-T87 WeakPolarHBondContact O-CG2 3.12Å; C83-T87 PolarHBondContact O-N 3.3Å; C83-T87 VanDerWaalsContact O-N 3.16Å; C83-T87 PolarHBondContact O-OG1 3.42Å; C83-L94 HydrophobicContact CB-CD2 3.72Å; C83-T132 HydrophobicContact CB-CG2 4.11Å; C83-I136 HydrophobicContact CB-CD1 3.94Å; C83-I136 HydrophobicContact CB-CG1 4.36Å |
| 84 | T | 93 | Very high | 91.8 | Very high | 63 Ų | 63 | 62.5 Ų | 62.5 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -53.4 | -57.5 | -176 | -63.1 | 0 | 0 | 0 | 0 | 113.9 | V80 Q81 H86 T87 | V80-T84 PolarHBondContact O-N 3.26Å; V80-T84 PolarHBondContact O-OG1 3.15Å; Q81-T84 WeakPolarHBondContact O-CB 3.4Å; Q81-T84 PolarHBondContact O-N 3.34Å; T84-H86 PolarHBondContact O-N 2.87Å; T84-T87 PolarHBondContact O-N 2.93Å; T84-T87 VanDerWaalsContact O-N 3.13Å; T84-T87 PolarHBondContact O-OG1 3.19Å |
| 85 | P | 90.3 | Very high | 91.6 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -65.8 | -11 | -180 | 27.8 | -36.2 | 0 | 0 | 0 | 114.1 | Q81 N88 | Q81-P85 VanDerWaalsContact O-CD 3.25Å; Q81-P85 WeakPolarHBondContact O-CD 3.3Å; P85-N88 PolarHBondContact O-ND2 3.47Å |
| 86 | H | 88.4 | Confident | 91.5 | Very high | 61 Ų | 61 | 62.5 Ų | 62.5 | 28% | 0.282 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -104.8 | 3.6 | -178.9 | -53 | 119.3 | 0 | 0 | 0 | 113 | H82 C83 T84 V129 T132 | H82-H86 PolarHBondContact O-CE1 3.04Å; H82-H86 PolarHBondContact O-ND1 3.4Å; C83-H86 CarbonylContact O-C 3.56Å; C83-H86 PolarHBondContact O-N 2.85Å; C83-H86 VanDerWaalsContact O-N 3.08Å; T84-H86 PolarHBondContact O-N 2.87Å; H86-V129 WeakPolarHBondContact CD2-CG1 3.36Å; H86-V129 WeakPolarHBondContact NE2-CG1 3.43Å; H86-T132 HydrophobicContact CB-CG2 4.07Å |
| 87 | T | 88.9 | Confident | 91.4 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | trans | -125.9 | 14 | -178.7 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | C83 T84 D89 C90 L94 F133 I136 | C83-T87 WeakPolarHBondContact O-CG2 3.12Å; C83-T87 PolarHBondContact O-N 3.3Å; C83-T87 VanDerWaalsContact O-N 3.16Å; C83-T87 PolarHBondContact O-OG1 3.42Å; T84-T87 PolarHBondContact O-N 2.93Å; T84-T87 VanDerWaalsContact O-N 3.13Å; T84-T87 PolarHBondContact O-OG1 3.19Å; T87-D89 PolarHBondContact O-N 2.85Å; T87-D89 VanDerWaalsContact O-N 3.11Å; T87-C90 CarbonylContact O-C 3.44Å; T87-C90 PolarHBondContact O-N 2.88Å; T87-L94 HydrophobicContact CG2-CD2 4.38Å; T87-L94 HydrophobicContact CG2-CG 4.43Å; T87-L94 WeakPolarHBondContact OG1-CD1 3.34Å; T87-F133 HydrophobicContact CG2-CD1 4.49Å; T87-F133 HydrophobicContact CG2-CE1 3.76Å; T87-F133 HydrophobicContact CG2-CZ 3.97Å; T87-I136 HydrophobicContact CG2-CD1 3.67Å | ||
| 88 | N | 84.9 | Confident | 91.3 | Very high | 118 Ų | 118 | 63 Ų | 63 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.2 | -179.5 | -68.5 | -41.7 | 0 | 0 | 0 | 114.2 | P85 C90 | P85-N88 PolarHBondContact O-ND2 3.47Å; N88-C90 VanDerWaalsContact C-N 3.31Å; N88-C90 PolarHBondContact O-N 3.25Å |
| 89 | D | 84.9 | Confident | 91.2 | Very high | 159 Ų | 159 | 62.2 Ų | 62.2 | 85% | 0.85 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14.3 | -179.5 | -56.7 | -55.2 | 0 | 0 | 0 | 113.8 | T87 | T87-D89 PolarHBondContact O-N 2.85Å; T87-D89 VanDerWaalsContact O-N 3.11Å |
| 90 | C | 85.1 | Confident | 91 | Very high | 38 Ų | 38 | 64.6 Ų | 64.6 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | trans | -160 | 71 | 178.8 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | T87 N88 E92 V93 F133 | T87-C90 CarbonylContact O-C 3.44Å; T87-C90 PolarHBondContact O-N 2.88Å; N88-C90 VanDerWaalsContact C-N 3.31Å; N88-C90 PolarHBondContact O-N 3.25Å; C90-E92 VanDerWaalsContact CA-OE2 3.26Å; C90-E92 WeakPolarHBondContact CA-OE2 3.35Å; C90-E92 PolarHBondContact O-N 3.16Å; C90-E92 VanDerWaalsContact O-N 3.11Å; C90-V93 HydrophobicContact CB-CG2 4.33Å; C90-V93 WeakPolarHBondContact O-CB 3.35Å; C90-V93 WeakPolarHBondContact O-CG2 3.28Å; C90-V93 PolarHBondContact O-N 3.2Å; C90-V93 VanDerWaalsContact O-N 3.15Å; C90-F133 WeakPolarHBondContact SG-CE1 3.48Å | ||
| 91 | P | 87.3 | Confident | 90.9 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.6 | -176.5 | 27.3 | -36.1 | 0 | 0 | 0 | 113.7 | V93 L94 T95 | P91-V93 PolarHBondContact O-N 2.78Å; P91-V93 VanDerWaalsContact O-N 3.13Å; P91-L94 PolarHBondContact O-N 3.2Å; P91-T95 PolarHBondContact O-N 3.08Å |
| 92 | E | 90.6 | Very high | 90.8 | Very high | 124 Ų | 124 | 62.1 Ų | 62.1 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55.4 | -29.2 | 173.4 | -57.7 | 81.6 | 179.2 | 0 | 0 | 111.9 | C90 L94 T95 F96 | C90-E92 VanDerWaalsContact CA-OE2 3.26Å; C90-E92 WeakPolarHBondContact CA-OE2 3.35Å; C90-E92 PolarHBondContact O-N 3.16Å; C90-E92 VanDerWaalsContact O-N 3.11Å; E92-L94 VanDerWaalsContact C-N 3.28Å; E92-L94 PolarHBondContact O-N 2.93Å; E92-T95 PolarHBondContact O-N 3.37Å; E92-T95 PolarHBondContact O-OG1 3.48Å; E92-F96 WeakPolarHBondContact O-CB 3.23Å; E92-F96 PolarHBondContact O-N 2.79Å |
| 93 | V | 92.3 | Very high | 90.8 | Very high | 42 Ų | 42 | 66 Ų | 66 | 26% | 0.255 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 112 | C90 P91 L97 F133 I136 | C90-V93 HydrophobicContact CB-CG2 4.33Å; C90-V93 WeakPolarHBondContact O-CB 3.35Å; C90-V93 WeakPolarHBondContact O-CG2 3.28Å; C90-V93 PolarHBondContact O-N 3.2Å; C90-V93 VanDerWaalsContact O-N 3.15Å; P91-V93 PolarHBondContact O-N 2.78Å; P91-V93 VanDerWaalsContact O-N 3.13Å; V93-L97 PolarHBondContact O-N 2.8Å; V93-F133 HydrophobicContact CB-CE1 4.49Å; V93-F133 HydrophobicContact CG1-CD1 4.24Å; V93-F133 HydrophobicContact CG1-CE1 4.32Å; V93-F133 HydrophobicContact CG2-CE1 4.21Å; V93-I136 HydrophobicContact CG1-CB 4.42Å; V93-I136 HydrophobicContact CG1-CD1 4.04Å; V93-I136 HydrophobicContact CG1-CG2 3.68Å |
| 94 | L | 92.6 | Very high | 90.9 | Very high | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76.2 | -38.2 | 176 | -63.7 | -175.1 | 0 | 0 | 0 | 112.2 | V80 C83 T87 P91 E92 F96 L97 Q98 I136 | V80-L94 HydrophobicContact CG1-CD1 4.34Å; C83-L94 HydrophobicContact CB-CD2 3.72Å; T87-L94 HydrophobicContact CG2-CD2 4.38Å; T87-L94 HydrophobicContact CG2-CG 4.43Å; T87-L94 WeakPolarHBondContact OG1-CD1 3.34Å; P91-L94 PolarHBondContact O-N 3.2Å; E92-L94 VanDerWaalsContact C-N 3.28Å; E92-L94 PolarHBondContact O-N 2.93Å; L94-F96 PolarHBondContact O-N 3.03Å; L94-L97 HydrophobicContact CD2-CD2 4.49Å; L94-L97 WeakPolarHBondContact O-CB 3.49Å; L94-L97 PolarHBondContact O-N 2.91Å; L94-Q98 WeakPolarHBondContact O-CG 3.44Å; L94-Q98 PolarHBondContact O-N 2.81Å; L94-I136 HydrophobicContact CD2-CD1 4.19Å |
| 95 | T | 91.1 | Very high | 90.8 | Very high | 80 Ų | 80 | 65 Ų | 65 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.7 | -34.5 | 173.9 | 74.2 | 0 | 0 | 0 | 0 | 111.4 | P91 E92 T99 | P91-T95 PolarHBondContact O-N 3.08Å; E92-T95 PolarHBondContact O-N 3.37Å; E92-T95 PolarHBondContact O-OG1 3.48Å; T95-T99 VanDerWaalsContact O-CB 3.25Å; T95-T99 WeakPolarHBondContact O-CB 3.16Å; T95-T99 PolarHBondContact O-N 3.43Å; T95-T99 PolarHBondContact O-OG1 3.28Å |
| 96 | F | 93.1 | Very high | 90.8 | Very high | 104 Ų | 104 | 65.4 Ų | 65.4 | 46% | 0.456 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 173.1 | -177.4 | -96.6 | 0 | 0 | 0 | 111.7 | E92 L94 T99 K100 C140 | E92-F96 WeakPolarHBondContact O-CB 3.23Å; E92-F96 PolarHBondContact O-N 2.79Å; L94-F96 PolarHBondContact O-N 3.03Å; F96-T99 CarbonylContact O-C 3.6Å; F96-T99 WeakPolarHBondContact O-CA 3.48Å; F96-T99 WeakPolarHBondContact O-CB 3.42Å; F96-T99 PolarHBondContact O-N 2.76Å; F96-T99 VanDerWaalsContact O-N 3.17Å; F96-K100 HydrophobicContact CD1-CG 4.37Å; F96-K100 HydrophobicContact CE1-CD 4.48Å; F96-K100 HydrophobicContact CE1-CG 4.24Å; F96-K100 WeakPolarHBondContact O-CG 3.16Å; F96-K100 PolarHBondContact O-N 2.78Å; F96-C140 HydrophobicContact CE1-CB 4.29Å |
| 97 | L | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 174.8 | 176.1 | 64.5 | 0 | 0 | 0 | 111.7 | F76 F79 V80 V93 L94 T99 K100 H101 I136 L139 C140 L143 | F76-L97 HydrophobicContact CE2-CD1 4.2Å; F76-L97 HydrophobicContact CE2-CD2 4.28Å; F76-L97 HydrophobicContact CE2-CG 4.02Å; F76-L97 HydrophobicContact CZ-CD2 4.37Å; F76-L97 HydrophobicContact CZ-CG 3.98Å; F79-L97 HydrophobicContact CD1-CD2 3.98Å; F79-L97 HydrophobicContact CE1-CD2 3.79Å; V80-L97 HydrophobicContact CG2-CD2 4.12Å; V93-L97 PolarHBondContact O-N 2.8Å; L94-L97 HydrophobicContact CD2-CD2 4.49Å; L94-L97 WeakPolarHBondContact O-CB 3.49Å; L94-L97 PolarHBondContact O-N 2.91Å; L97-T99 VanDerWaalsContact C-N 3.27Å; L97-T99 PolarHBondContact O-N 3.22Å; L97-K100 WeakPolarHBondContact O-CA 3.4Å; L97-K100 WeakPolarHBondContact O-CB 3.4Å; L97-K100 PolarHBondContact O-N 2.95Å; L97-H101 PolarHBondContact O-N 2.73Å; L97-I136 HydrophobicContact CB-CG2 4.27Å; L97-I136 HydrophobicContact CD2-CG2 4.2Å; L97-L139 HydrophobicContact CD1-CB 4.32Å; L97-L139 HydrophobicContact CD1-CD2 3.92Å; L97-L139 HydrophobicContact CD1-CG 4.03Å; L97-L139 HydrophobicContact CD2-CD2 4.4Å; L97-C140 VanDerWaalsContact CD1-SG 3.53Å; L97-L143 HydrophobicContact CD1-CD1 3.88Å |
| 98 | Q | 93.4 | Very high | 91.1 | Very high | 94 Ų | 94 | 69.1 Ų | 69.1 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.6 | -36.2 | 173.4 | -70.1 | 172.1 | -19.8 | 0 | 0 | 112 | F76 L94 K100 H101 S102 | F76-Q98 HydrophobicContact CE1-CG 4.34Å; L94-Q98 WeakPolarHBondContact O-CG 3.44Å; L94-Q98 PolarHBondContact O-N 2.81Å; Q98-K100 VanDerWaalsContact C-N 3.27Å; Q98-K100 PolarHBondContact O-N 2.96Å; Q98-H101 PolarHBondContact O-N 2.92Å; Q98-S102 WeakPolarHBondContact O-CB 3.25Å; Q98-S102 PolarHBondContact O-N 3.02Å; Q98-S102 PolarHBondContact O-OG 3.19Å |
| 99 | T | 93.2 | Very high | 91.5 | Very high | 56 Ų | 56 | 65 Ų | 65 | 34% | 0.344 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.4 | -17.9 | 172.9 | -59.2 | 0 | 0 | 0 | 0 | 113.2 | T95 F96 L97 S102 K103 | T95-T99 VanDerWaalsContact O-CB 3.25Å; T95-T99 WeakPolarHBondContact O-CB 3.16Å; T95-T99 PolarHBondContact O-N 3.43Å; T95-T99 PolarHBondContact O-OG1 3.28Å; F96-T99 CarbonylContact O-C 3.6Å; F96-T99 WeakPolarHBondContact O-CA 3.48Å; F96-T99 WeakPolarHBondContact O-CB 3.42Å; F96-T99 PolarHBondContact O-N 2.76Å; F96-T99 VanDerWaalsContact O-N 3.17Å; L97-T99 VanDerWaalsContact C-N 3.27Å; L97-T99 PolarHBondContact O-N 3.22Å; T99-S102 WeakPolarHBondContact CA-OG 3.25Å; T99-K103 HydrophobicContact CG2-CD 4.35Å; T99-K103 VanDerWaalsContact O-CD 3.28Å; T99-K103 WeakPolarHBondContact O-CD 3.27Å; T99-K103 VanDerWaalsContact O-CG 3.32Å; T99-K103 WeakPolarHBondContact O-CG 3.09Å |
| 100 | K | 92.7 | Very high | 91.9 | Very high | 49 Ų | 49 | 59 Ų | 59 | 21% | 0.213 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -85.4 | -42.4 | 167.7 | -61.8 | -44.7 | 177.7 | -163.9 | 0 | 111.8 | F96 L97 Q98 S102 K103 A104 C140 L143 | F96-K100 HydrophobicContact CD1-CG 4.37Å; F96-K100 HydrophobicContact CE1-CD 4.48Å; F96-K100 HydrophobicContact CE1-CG 4.24Å; F96-K100 WeakPolarHBondContact O-CG 3.16Å; F96-K100 PolarHBondContact O-N 2.78Å; L97-K100 WeakPolarHBondContact O-CA 3.4Å; L97-K100 WeakPolarHBondContact O-CB 3.4Å; L97-K100 PolarHBondContact O-N 2.95Å; Q98-K100 VanDerWaalsContact C-N 3.27Å; Q98-K100 PolarHBondContact O-N 2.96Å; K100-S102 PolarHBondContact O-N 3.46Å; K100-K103 CarbonylContact O-C 3.17Å; K100-K103 PolarHBondContact O-N 3.44Å; K100-A104 PolarHBondContact O-N 2.99Å; K100-C140 HydrophobicContact CG-CB 4.3Å; K100-L143 HydrophobicContact CB-CB 3.85Å; K100-L143 HydrophobicContact CB-CD1 4.18Å |
| 101 | H | 93.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.7 | -52.9 | 177.3 | -170.8 | -102.5 | 0 | 0 | 0 | 111.2 | Q73 F76 L97 Q98 K103 A104 F114 L143 | Q73-H101 PolarHBondContact OE1-CE1 2.79Å; F76-H101 AromaticContact CD2-CD2 3.6Å; F76-H101 HydrophobicContact CE1-CB 3.99Å; F76-H101 AromaticContact CE1-CG 3.79Å; F76-H101 HydrophobicContact CE2-CB 3.93Å; F76-H101 AromaticContact CE2-CD2 3.63Å; F76-H101 AromaticContact CE2-CG 3.89Å; F76-H101 AromaticContact CG-CD2 3.83Å; F76-H101 AromaticContact CG-NE2 3.85Å; F76-H101 HydrophobicContact CZ-CB 3.5Å; F76-H101 AromaticContact CZ-CD2 3.88Å; F76-H101 AromaticContact CZ-CG 3.66Å; L97-H101 PolarHBondContact O-N 2.73Å; Q98-H101 PolarHBondContact O-N 2.92Å; H101-K103 PolarHBondContact O-N 2.82Å; H101-A104 PolarHBondContact O-N 2.91Å; H101-A104 VanDerWaalsContact O-N 3.16Å; H101-F114 AromaticContact CD2-CZ 3.62Å; H101-F114 AromaticContact NE2-CE1 3.69Å; H101-F114 AromaticContact NE2-CZ 3.57Å; H101-L143 HydrophobicContact CB-CD1 4.25Å |
| 102 | S | 92.3 | Very high | 92.6 | Very high | 89 Ų | 89 | 58 Ų | 58 | 62% | 0.622 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -2 | 175.1 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | Q98 T99 K100 | Q98-S102 WeakPolarHBondContact O-CB 3.25Å; Q98-S102 PolarHBondContact O-N 3.02Å; Q98-S102 PolarHBondContact O-OG 3.19Å; T99-S102 WeakPolarHBondContact CA-OG 3.25Å; K100-S102 PolarHBondContact O-N 3.46Å |
| 103 | K | 92.3 | Very high | 92.7 | Very high | 126 Ų | 126 | 57.5 Ų | 57.5 | 55% | 0.548 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -0.2 | 178.1 | -65.2 | -178.9 | -174.3 | 172.4 | 0 | 113.5 | T99 K100 H101 S147 V148 | T99-K103 HydrophobicContact CG2-CD 4.35Å; T99-K103 VanDerWaalsContact O-CD 3.28Å; T99-K103 WeakPolarHBondContact O-CD 3.27Å; T99-K103 VanDerWaalsContact O-CG 3.32Å; T99-K103 WeakPolarHBondContact O-CG 3.09Å; K100-K103 CarbonylContact O-C 3.17Å; K100-K103 PolarHBondContact O-N 3.44Å; H101-K103 PolarHBondContact O-N 2.82Å; K103-S147 VanDerWaalsContact O-CA 3.25Å; K103-S147 WeakPolarHBondContact O-CA 3.45Å; K103-S147 VanDerWaalsContact O-CB 3.25Å; K103-S147 WeakPolarHBondContact O-CB 3.33Å; K103-V148 PolarHBondContact O-N 2.91Å |
| 104 | A | 93.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -70.8 | 156.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K100 H101 L109 L143 H146 | K100-A104 PolarHBondContact O-N 2.99Å; H101-A104 PolarHBondContact O-N 2.91Å; H101-A104 VanDerWaalsContact O-N 3.16Å; A104-L109 HydrophobicContact CB-CD1 4.32Å; A104-L109 HydrophobicContact CB-CD2 3.81Å; A104-L109 HydrophobicContact CB-CG 4.01Å; A104-L143 HydrophobicContact CB-CD2 3.87Å; A104-H146 CarbonylContact C-O 3.57Å; A104-H146 WeakPolarHBondContact CA-O 3.26Å |
| 105 | C | 91.8 | Very high | 93 | Very high | 32 Ų | 32 | 58.4 Ų | 58.4 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | trans | -71.2 | 139.2 | 174.6 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | D107 Y108 L109 H146 V148 | C105-D107 VanDerWaalsContact C-N 3.26Å; C105-D107 PolarHBondContact O-N 3.46Å; C105-Y108 WeakPolarHBondContact O-CB 3.41Å; C105-Y108 PolarHBondContact O-N 2.98Å; C105-Y108 VanDerWaalsContact O-N 3.08Å; C105-Y108 WeakPolarHBondContact SG-CB 3.39Å; C105-L109 PolarHBondContact O-N 3.11Å; C105-H146 PolarHBondContact N-O 3.3Å; C105-H146 PolarHBondContact SG-O 2.71Å; C105-V148 HydrophobicContact CB-CG2 3.83Å | ||
| 106 | P | 89 | Confident | 93.2 | Very high | 84 Ų | 84 | 59 Ų | 59 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -53.9 | -39.9 | -179.1 | -28.2 | 35.9 | 0 | 0 | 0 | 113.8 | Y108 L109 C110 | P106-Y108 VanDerWaalsContact C-N 3.26Å; P106-Y108 PolarHBondContact O-N 2.9Å; P106-L109 PolarHBondContact O-N 3.34Å; P106-C110 PolarHBondContact O-N 3.35Å; P106-C110 PolarHBondContact O-SG 2.94Å |
| 107 | D | 89.8 | Confident | 93.3 | Very high | 134 Ų | 134 | 55 Ų | 55 | 72% | 0.717 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.4 | -36.6 | -179.1 | -47.2 | -51.5 | 0 | 0 | 0 | 112.2 | C105 S111 | C105-D107 VanDerWaalsContact C-N 3.26Å; C105-D107 PolarHBondContact O-N 3.46Å; D107-S111 PolarHBondContact O-N 3.35Å |
| 108 | Y | 94.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 55 Ų | 55 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.9 | -42.5 | 173.9 | -179.8 | -104.9 | 0 | 0 | 0 | 111.6 | C105 P106 C110 S111 E113 F114 V142 L143 H146 | C105-Y108 WeakPolarHBondContact O-CB 3.41Å; C105-Y108 PolarHBondContact O-N 2.98Å; C105-Y108 VanDerWaalsContact O-N 3.08Å; C105-Y108 WeakPolarHBondContact SG-CB 3.39Å; P106-Y108 VanDerWaalsContact C-N 3.26Å; P106-Y108 PolarHBondContact O-N 2.9Å; Y108-C110 PolarHBondContact O-N 3.06Å; Y108-S111 VanDerWaalsContact O-CB 3.23Å; Y108-S111 WeakPolarHBondContact O-CB 3.37Å; Y108-S111 PolarHBondContact O-N 3.48Å; Y108-S111 PolarHBondContact O-OG 3.45Å; Y108-E113 HydrophobicContact CE2-CB 4.07Å; Y108-E113 HydrophobicContact CE2-CG 3.87Å; Y108-E113 WeakPolarHBondContact CE2-OE2 3.16Å; Y108-F114 HydrophobicContact CD1-CB 4.09Å; Y108-F114 HydrophobicContact CD1-CD2 4.36Å; Y108-F114 HydrophobicContact CD1-CG 4.35Å; Y108-F114 HydrophobicContact CD2-CB 4.48Å; Y108-F114 HydrophobicContact CE1-CB 3.66Å; Y108-F114 AromaticContact CE1-CD2 3.55Å; Y108-F114 HydrophobicContact CE1-CD2 3.55Å; Y108-F114 AromaticContact CE1-CG 3.86Å; Y108-F114 HydrophobicContact CE1-CG 3.86Å; Y108-F114 HydrophobicContact CE2-CB 4.11Å; Y108-F114 HydrophobicContact CG-CB 4.47Å; Y108-F114 WeakPolarHBondContact O-CB 3.23Å; Y108-F114 WeakPolarHBondContact OH-CA 3.47Å; Y108-V142 HydrophobicContact CE1-CG1 4.23Å; Y108-V142 WeakPolarHBondContact OH-CG1 3.46Å; Y108-L143 HydrophobicContact CE1-CD2 4.33Å; Y108-H146 HydrophobicContact CD1-CB 3.75Å; Y108-H146 HydrophobicContact CD2-CB 4.08Å; Y108-H146 AromaticContact CD2-CE1 3.63Å; Y108-H146 AromaticContact CD2-CG 3.6Å; Y108-H146 AromaticContact CD2-ND1 3.2Å; Y108-H146 WeakPolarHBondContact CD2-ND1 3.28Å; Y108-H146 HydrophobicContact CE1-CB 4.27Å; Y108-H146 AromaticContact CE2-CD2 3.93Å; Y108-H146 AromaticContact CE2-CE1 3.55Å; Y108-H146 AromaticContact CE2-CG 3.8Å; Y108-H146 AromaticContact CE2-ND1 3.56Å; Y108-H146 AromaticContact CE2-NE2 3.83Å; Y108-H146 HydrophobicContact CG-CB 3.65Å; Y108-H146 AromaticContact CG-CG 3.73Å; Y108-H146 AromaticContact CG-ND1 3.71Å |
| 109 | L | 93.4 | Very high | 93.3 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -26.7 | 176.8 | -62.1 | -179.1 | 0 | 0 | 0 | 112.8 | N72 A104 C105 P106 F114 L143 | N72-L109 PolarHBondContact ND2-O 3.43Å; A104-L109 HydrophobicContact CB-CD1 4.32Å; A104-L109 HydrophobicContact CB-CD2 3.81Å; A104-L109 HydrophobicContact CB-CG 4.01Å; C105-L109 PolarHBondContact O-N 3.11Å; P106-L109 PolarHBondContact O-N 3.34Å; L109-F114 HydrophobicContact CD2-CD1 4.07Å; L109-F114 HydrophobicContact CD2-CE1 3.82Å; L109-F114 HydrophobicContact CD2-CE2 4.4Å; L109-F114 HydrophobicContact CD2-CG 4.46Å; L109-F114 HydrophobicContact CD2-CZ 4Å; L109-L143 HydrophobicContact CD2-CD2 3.94Å |
| 110 | C | 92.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 54.2 Ų | 54.2 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1.1 | 171.9 | -65 | 0 | 0 | 0 | 0 | 114.4 | P106 Y108 | P106-C110 PolarHBondContact O-N 3.35Å; P106-C110 PolarHBondContact O-SG 2.94Å; Y108-C110 PolarHBondContact O-N 3.06Å |
| 111 | S | 93.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -85.7 | 159.1 | -172.9 | 76.9 | 0 | 0 | 0 | 0 | 114.1 | N72 D107 Y108 E113 F114 R115 | N72-S111 PolarHBondContact ND2-O 2.87Å; D107-S111 PolarHBondContact O-N 3.35Å; Y108-S111 VanDerWaalsContact O-CB 3.23Å; Y108-S111 WeakPolarHBondContact O-CB 3.37Å; Y108-S111 PolarHBondContact O-N 3.48Å; Y108-S111 PolarHBondContact O-OG 3.45Å; S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 PolarHBondContact OG-N 2.75Å; S111-F114 PolarHBondContact OG-N 3.4Å; S111-R115 PolarHBondContact O-N 2.74Å |
| 112 | V | 93.9 | Very high | 93.4 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 38% | 0.382 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.3 | -25.6 | 167.9 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | L68 R115 N116 | L68-V112 HydrophobicContact CD1-CG2 3.97Å; L68-V112 HydrophobicContact CD2-CG2 4.29Å; V112-R115 WeakPolarHBondContact O-CB 3.14Å; V112-R115 PolarHBondContact O-N 2.94Å; V112-N116 WeakPolarHBondContact O-CB 3.38Å; V112-N116 PolarHBondContact O-N 3.41Å; V112-N116 PolarHBondContact O-OD1 2.99Å |
| 113 | E | 93.6 | Very high | 93.5 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 175.8 | -172.1 | -172.8 | -173.7 | 0 | 0 | 111.2 | Y108 S111 R115 N116 A117 H146 | Y108-E113 HydrophobicContact CE2-CB 4.07Å; Y108-E113 HydrophobicContact CE2-CG 3.87Å; Y108-E113 WeakPolarHBondContact CE2-OE2 3.16Å; S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 PolarHBondContact OG-N 2.75Å; E113-R115 PolarHBondContact O-N 2.99Å; E113-N116 PolarHBondContact O-N 3.46Å; E113-A117 PolarHBondContact O-N 3.4Å; E113-H146 IonicContact OE1-CE1 3.54Å; E113-H146 IonicContact OE1-NE2 2.68Å; E113-H146 IonicContact OE2-CE1 3.83Å |
| 114 | F | 96 | Very high | 93.5 | Very high | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 174 | 178.3 | -128 | 0 | 0 | 0 | 111.7 | N72 F76 H101 Y108 L109 S111 N116 A117 L118 L139 L143 | N72-F114 HydrophobicContact CB-CD1 3.98Å; N72-F114 HydrophobicContact CB-CE1 4.12Å; F76-F114 HydrophobicContact CD2-CZ 4.1Å; H101-F114 AromaticContact CD2-CZ 3.62Å; H101-F114 AromaticContact NE2-CE1 3.69Å; H101-F114 AromaticContact NE2-CZ 3.57Å; Y108-F114 HydrophobicContact CD1-CB 4.09Å; Y108-F114 HydrophobicContact CD1-CD2 4.36Å; Y108-F114 HydrophobicContact CD1-CG 4.35Å; Y108-F114 HydrophobicContact CD2-CB 4.48Å; Y108-F114 HydrophobicContact CE1-CB 3.66Å; Y108-F114 AromaticContact CE1-CD2 3.55Å; Y108-F114 HydrophobicContact CE1-CD2 3.55Å; Y108-F114 AromaticContact CE1-CG 3.86Å; Y108-F114 HydrophobicContact CE1-CG 3.86Å; Y108-F114 HydrophobicContact CE2-CB 4.11Å; Y108-F114 HydrophobicContact CG-CB 4.47Å; Y108-F114 WeakPolarHBondContact O-CB 3.23Å; Y108-F114 WeakPolarHBondContact OH-CA 3.47Å; L109-F114 HydrophobicContact CD2-CD1 4.07Å; L109-F114 HydrophobicContact CD2-CE1 3.82Å; L109-F114 HydrophobicContact CD2-CE2 4.4Å; L109-F114 HydrophobicContact CD2-CG 4.46Å; L109-F114 HydrophobicContact CD2-CZ 4Å; S111-F114 PolarHBondContact OG-N 3.4Å; F114-N116 VanDerWaalsContact C-N 3.29Å; F114-N116 PolarHBondContact O-N 3.49Å; F114-A117 PolarHBondContact O-N 3.02Å; F114-L118 HydrophobicContact CE1-CD2 4.01Å; F114-L118 HydrophobicContact CE2-CB 4.32Å; F114-L118 HydrophobicContact CE2-CD2 4.27Å; F114-L118 HydrophobicContact CZ-CD2 3.81Å; F114-L118 WeakPolarHBondContact O-CB 3.42Å; F114-L118 PolarHBondContact O-N 2.68Å; F114-L139 HydrophobicContact CE2-CD1 4.2Å; F114-L143 HydrophobicContact CD2-CD2 4.28Å; F114-L143 HydrophobicContact CE2-CD2 3.74Å; F114-L143 HydrophobicContact CE2-CG 4.46Å; F114-L143 HydrophobicContact CZ-CD2 4.32Å |
| 115 | R | 94.9 | Very high | 93.4 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 29% | 0.287 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.6 | -44.2 | 176.5 | -159.6 | 179.3 | 65.1 | 171.5 | 1.7 | 112.3 | E71 N72 L75 S111 V112 E113 G119 | E71-R115 IonicContact OE1-NH1 3.07Å; E71-R115 WeakPolarHBondContact OE2-CD 3.28Å; E71-R115 IonicContact OE2-CZ 3.18Å; E71-R115 IonicContact OE2-NE 2.69Å; E71-R115 IonicContact OE2-NH1 2.66Å; E71-R115 PolarHBondContact OE2-NH1 3.49Å; N72-R115 WeakPolarHBondContact OD1-CB 3.28Å; N72-R115 WeakPolarHBondContact OD1-CD 3.42Å; N72-R115 WeakPolarHBondContact OD1-CG 3.43Å; L75-R115 HydrophobicContact CD1-CG 3.72Å; S111-R115 PolarHBondContact O-N 2.74Å; V112-R115 WeakPolarHBondContact O-CB 3.14Å; V112-R115 PolarHBondContact O-N 2.94Å; E113-R115 PolarHBondContact O-N 2.99Å; R115-G119 PolarHBondContact O-N 2.96Å |
| 116 | N | 95.3 | Very high | 93.4 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.7 | -47.6 | -178.8 | -68.1 | -7.2 | 0 | 0 | 0 | 111.4 | V112 E113 F114 L118 G119 Q120 | V112-N116 WeakPolarHBondContact O-CB 3.38Å; V112-N116 PolarHBondContact O-N 3.41Å; V112-N116 PolarHBondContact O-OD1 2.99Å; E113-N116 PolarHBondContact O-N 3.46Å; F114-N116 VanDerWaalsContact C-N 3.29Å; F114-N116 PolarHBondContact O-N 3.49Å; N116-L118 VanDerWaalsContact C-N 3.33Å; N116-L118 PolarHBondContact O-N 2.92Å; N116-G119 PolarHBondContact O-N 3.35Å; N116-Q120 VanDerWaalsContact O-CB 3.26Å; N116-Q120 WeakPolarHBondContact O-CB 3.29Å; N116-Q120 PolarHBondContact O-N 2.82Å |
| 117 | A | 94.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 51 Ų | 51 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E113 F114 C121 V142 | E113-A117 PolarHBondContact O-N 3.4Å; F114-A117 PolarHBondContact O-N 3.02Å; A117-C121 PolarHBondContact O-N 2.97Å; A117-C121 PolarHBondContact O-SG 3.01Å; A117-V142 HydrophobicContact CB-CG1 4.42Å |
| 118 | L | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.1 | -47.4 | 177.5 | 178.1 | 59.9 | 0 | 0 | 0 | 112.4 | L75 F76 F79 F114 N116 Q120 C121 L122 L139 | L75-L118 HydrophobicContact CB-CD2 3.72Å; L75-L118 HydrophobicContact CB-CG 4.25Å; F76-L118 HydrophobicContact CB-CD2 3.96Å; F76-L118 HydrophobicContact CD2-CD1 4.25Å; F79-L118 HydrophobicContact CB-CD1 3.91Å; F79-L118 HydrophobicContact CG-CD1 4.14Å; F114-L118 HydrophobicContact CE1-CD2 4.01Å; F114-L118 HydrophobicContact CE2-CB 4.32Å; F114-L118 HydrophobicContact CE2-CD2 4.27Å; F114-L118 HydrophobicContact CZ-CD2 3.81Å; F114-L118 WeakPolarHBondContact O-CB 3.42Å; F114-L118 PolarHBondContact O-N 2.68Å; N116-L118 VanDerWaalsContact C-N 3.33Å; N116-L118 PolarHBondContact O-N 2.92Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 2.81Å; L118-C121 PolarHBondContact O-N 3.4Å; L118-L122 WeakPolarHBondContact O-CB 3.2Å; L118-L122 PolarHBondContact O-N 2.82Å; L118-L139 HydrophobicContact CD1-CD1 4.25Å; L118-L139 HydrophobicContact CD1-CD2 3.73Å |
| 119 | G | 93.6 | Very high | 93 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -35.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | R115 N116 T123 | R115-G119 PolarHBondContact O-N 2.96Å; N116-G119 PolarHBondContact O-N 3.35Å; G119-T123 WeakPolarHBondContact O-CB 3.36Å; G119-T123 PolarHBondContact O-N 3.17Å; G119-T123 PolarHBondContact O-OG1 3.39Å |
| 120 | Q | 94.6 | Very high | 92.7 | Very high | 112 Ų | 112 | 52.9 Ų | 52.9 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 172.1 | 179.8 | 173.1 | 10.5 | 0 | 0 | 111.7 | N116 L118 L122 Q124 | N116-Q120 VanDerWaalsContact O-CB 3.26Å; N116-Q120 WeakPolarHBondContact O-CB 3.29Å; N116-Q120 PolarHBondContact O-N 2.82Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 2.81Å; Q120-L122 PolarHBondContact O-N 3.15Å; Q120-Q124 VanDerWaalsContact CG-NE2 3.3Å; Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 VanDerWaalsContact O-CG 3.32Å; Q120-Q124 WeakPolarHBondContact O-CG 3.37Å; Q120-Q124 PolarHBondContact O-N 2.82Å |
| 121 | C | 93.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 174.5 | -68.8 | 0 | 0 | 0 | 0 | 111.9 | F79 A117 L118 Q124 A125 | F79-C121 HydrophobicContact CD2-CB 4.38Å; F79-C121 HydrophobicContact CE2-CB 3.78Å; F79-C121 HydrophobicContact CZ-CB 4.21Å; A117-C121 PolarHBondContact O-N 2.97Å; A117-C121 PolarHBondContact O-SG 3.01Å; L118-C121 PolarHBondContact O-N 3.4Å; C121-Q124 PolarHBondContact O-N 3.18Å; C121-A125 VanDerWaalsContact O-CB 3.28Å; C121-A125 WeakPolarHBondContact O-CB 3.25Å; C121-A125 PolarHBondContact O-N 2.97Å |
| 122 | L | 94.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.4 | -50.1 | 178.2 | 179.8 | 58.9 | 0 | 0 | 0 | 112 | L75 E78 F79 H82 L118 Q120 Q124 A125 Q126 | L75-L122 HydrophobicContact CD2-CD2 4.42Å; E78-L122 HydrophobicContact CG-CD2 4.25Å; F79-L122 HydrophobicContact CB-CD1 4.39Å; F79-L122 HydrophobicContact CD2-CB 4.01Å; F79-L122 HydrophobicContact CD2-CD1 4.15Å; H82-L122 HydrophobicContact CB-CD1 4.25Å; L118-L122 WeakPolarHBondContact O-CB 3.2Å; L118-L122 PolarHBondContact O-N 2.82Å; Q120-L122 PolarHBondContact O-N 3.15Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 2.87Å; L122-A125 PolarHBondContact O-N 2.88Å; L122-Q126 HydrophobicContact CD1-CG 4.25Å; L122-Q126 WeakPolarHBondContact O-CB 3.48Å; L122-Q126 WeakPolarHBondContact O-CG 3.31Å; L122-Q126 PolarHBondContact O-N 3.47Å |
| 123 | T | 94.8 | Very high | 92.5 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.7 | -40.4 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | G119 G127 | G119-T123 WeakPolarHBondContact O-CB 3.36Å; G119-T123 PolarHBondContact O-N 3.17Å; G119-T123 PolarHBondContact O-OG1 3.39Å; T123-G127 PolarHBondContact O-N 3.02Å |
| 124 | Q | 92.5 | Very high | 92.6 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.3 | -38.5 | 177.5 | -69.9 | -173.4 | 57.3 | 0 | 0 | 113.1 | Q120 C121 L122 Q126 G127 N128 Y135 | Q120-Q124 VanDerWaalsContact CG-NE2 3.3Å; Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 VanDerWaalsContact O-CG 3.32Å; Q120-Q124 WeakPolarHBondContact O-CG 3.37Å; Q120-Q124 PolarHBondContact O-N 2.82Å; C121-Q124 PolarHBondContact O-N 3.18Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 2.87Å; Q124-Q126 VanDerWaalsContact C-N 3.32Å; Q124-Q126 PolarHBondContact O-N 3.11Å; Q124-G127 PolarHBondContact O-N 3.46Å; Q124-N128 PolarHBondContact O-N 2.85Å; Q124-Y135 HydrophobicContact CB-CD1 3.95Å; Q124-Y135 HydrophobicContact CB-CD2 4.35Å; Q124-Y135 HydrophobicContact CB-CE1 3.63Å; Q124-Y135 HydrophobicContact CB-CE2 4.05Å; Q124-Y135 HydrophobicContact CB-CG 4.32Å; Q124-Y135 HydrophobicContact CG-CE1 4.38Å; Q124-Y135 WeakPolarHBondContact O-CE2 3.25Å |
| 125 | A | 90.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.4 | -30.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F79 H82 C121 L122 Y135 | F79-A125 HydrophobicContact CE2-CB 4.07Å; H82-A125 PolarHBondContact NE2-O 2.76Å; C121-A125 VanDerWaalsContact O-CB 3.28Å; C121-A125 WeakPolarHBondContact O-CB 3.25Å; C121-A125 PolarHBondContact O-N 2.97Å; L122-A125 PolarHBondContact O-N 2.88Å; A125-Y135 HydrophobicContact CB-CD2 3.84Å; A125-Y135 HydrophobicContact CB-CG 4.46Å |
| 126 | Q | 91 | Very high | 92.5 | Very high | 96 Ų | 96 | 52.7 Ų | 52.7 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.5 | -43.4 | 170.5 | -72.3 | 172.3 | -7.5 | 0 | 0 | 111.4 | H82 L122 Q124 | H82-Q126 PolarHBondContact NE2-N 2.85Å; L122-Q126 HydrophobicContact CD1-CG 4.25Å; L122-Q126 WeakPolarHBondContact O-CB 3.48Å; L122-Q126 WeakPolarHBondContact O-CG 3.31Å; L122-Q126 PolarHBondContact O-N 3.47Å; Q124-Q126 VanDerWaalsContact C-N 3.32Å; Q124-Q126 PolarHBondContact O-N 3.11Å |
| 127 | G | 88.9 | Confident | 92.4 | Very high | 69 Ų | 69 | 53 Ų | 53 | 71% | 0.711 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74 | -23.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | T123 Q124 | T123-G127 PolarHBondContact O-N 3.02Å; Q124-G127 PolarHBondContact O-N 3.46Å |
| 128 | N | 88.7 | Confident | 92.4 | Very high | 66 Ų | 66 | 55.6 Ų | 55.6 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | trans | -145.5 | 76.2 | -179.6 | -159.7 | -43.8 | 0 | 0 | 0 | 112.6 | Q124 G130 K131 Y135 | Q124-N128 PolarHBondContact O-N 2.85Å; N128-G130 PolarHBondContact O-N 3.46Å; N128-G130 VanDerWaalsContact O-N 3.13Å; N128-K131 PolarHBondContact O-N 3.37Å; N128-Y135 HydrophobicContact CB-CE2 4.39Å | ||
| 129 | V | 87.8 | Confident | 92.4 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -50.6 | -36.3 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 113.2 | H86 K131 T132 | H86-V129 WeakPolarHBondContact CD2-CG1 3.36Å; H86-V129 WeakPolarHBondContact NE2-CG1 3.43Å; V129-K131 PolarHBondContact O-N 2.89Å; V129-T132 PolarHBondContact O-N 2.71Å; V129-T132 PolarHBondContact O-OG1 3.48Å |
| 130 | G | 87.8 | Confident | 92.5 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 81% | 0.814 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -64.8 | -7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N128 | N128-G130 PolarHBondContact O-N 3.46Å; N128-G130 VanDerWaalsContact O-N 3.13Å |
| 131 | K | 92.2 | Very high | 92.5 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -118.1 | 10.4 | 177.6 | -69.7 | -178.6 | -179.8 | 179.8 | 0 | 113.8 | N128 V129 F133 V134 Y135 | N128-K131 PolarHBondContact O-N 3.37Å; V129-K131 PolarHBondContact O-N 2.89Å; K131-F133 PolarHBondContact O-N 3.43Å; K131-F133 VanDerWaalsContact O-N 3.07Å; K131-V134 HydrophobicContact CB-CG2 4.31Å; K131-V134 WeakPolarHBondContact O-CA 3.42Å; K131-V134 VanDerWaalsContact O-CB 3.29Å; K131-V134 WeakPolarHBondContact O-CB 3.48Å; K131-V134 PolarHBondContact O-N 3.16Å; K131-Y135 HydrophobicContact CB-CD2 4.29Å; K131-Y135 HydrophobicContact CB-CE2 3.5Å; K131-Y135 WeakPolarHBondContact O-CD2 3.43Å; K131-Y135 PolarHBondContact O-N 3.4Å |
| 132 | T | 91.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -47.3 | -42.3 | -177.9 | -64.2 | 0 | 0 | 0 | 0 | 114 | C83 H86 V129 V134 Y135 I136 | C83-T132 HydrophobicContact CB-CG2 4.11Å; H86-T132 HydrophobicContact CB-CG2 4.07Å; V129-T132 PolarHBondContact O-N 2.71Å; V129-T132 PolarHBondContact O-OG1 3.48Å; T132-V134 VanDerWaalsContact C-N 3.3Å; T132-V134 PolarHBondContact O-N 2.72Å; T132-Y135 PolarHBondContact O-N 3.33Å; T132-I136 HydrophobicContact CG2-CD1 3.8Å; T132-I136 HydrophobicContact CG2-CG1 4.32Å; T132-I136 WeakPolarHBondContact O-CG1 3.44Å; T132-I136 PolarHBondContact O-N 3.14Å |
| 133 | F | 92.7 | Very high | 92.5 | Very high | 91 Ų | 91 | 53.1 Ų | 53.1 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -30.9 | 176 | -69.6 | -74.5 | 0 | 0 | 0 | 114.8 | T87 C90 V93 K131 N137 | T87-F133 HydrophobicContact CG2-CD1 4.49Å; T87-F133 HydrophobicContact CG2-CE1 3.76Å; T87-F133 HydrophobicContact CG2-CZ 3.97Å; C90-F133 WeakPolarHBondContact SG-CE1 3.48Å; V93-F133 HydrophobicContact CB-CE1 4.49Å; V93-F133 HydrophobicContact CG1-CD1 4.24Å; V93-F133 HydrophobicContact CG1-CE1 4.32Å; V93-F133 HydrophobicContact CG2-CE1 4.21Å; K131-F133 PolarHBondContact O-N 3.43Å; K131-F133 VanDerWaalsContact O-N 3.07Å; F133-N137 WeakPolarHBondContact O-CB 3.4Å; F133-N137 PolarHBondContact O-N 2.82Å |
| 134 | V | 94.1 | Very high | 92.4 | Very high | 83 Ų | 83 | 55 Ų | 55 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.1 | -47.2 | 175.2 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | K131 T132 N137 E138 | K131-V134 HydrophobicContact CB-CG2 4.31Å; K131-V134 WeakPolarHBondContact O-CA 3.42Å; K131-V134 VanDerWaalsContact O-CB 3.29Å; K131-V134 WeakPolarHBondContact O-CB 3.48Å; K131-V134 PolarHBondContact O-N 3.16Å; T132-V134 VanDerWaalsContact C-N 3.3Å; T132-V134 PolarHBondContact O-N 2.72Å; V134-N137 CarbonylContact O-C 3.51Å; V134-N137 PolarHBondContact O-N 3.43Å; V134-N137 VanDerWaalsContact O-N 3.17Å; V134-E138 WeakPolarHBondContact O-CB 3.44Å; V134-E138 PolarHBondContact O-N 3.42Å |
| 135 | Y | 94.6 | Very high | 92.4 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 7% | 0.071 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.3 | -35.5 | -179.5 | -51.2 | -50.4 | 0 | 0 | 0 | 112.5 | Q124 A125 N128 K131 T132 E138 L139 | Q124-Y135 HydrophobicContact CB-CD1 3.95Å; Q124-Y135 HydrophobicContact CB-CD2 4.35Å; Q124-Y135 HydrophobicContact CB-CE1 3.63Å; Q124-Y135 HydrophobicContact CB-CE2 4.05Å; Q124-Y135 HydrophobicContact CB-CG 4.32Å; Q124-Y135 HydrophobicContact CG-CE1 4.38Å; Q124-Y135 WeakPolarHBondContact O-CE2 3.25Å; A125-Y135 HydrophobicContact CB-CD2 3.84Å; A125-Y135 HydrophobicContact CB-CG 4.46Å; N128-Y135 HydrophobicContact CB-CE2 4.39Å; K131-Y135 HydrophobicContact CB-CD2 4.29Å; K131-Y135 HydrophobicContact CB-CE2 3.5Å; K131-Y135 WeakPolarHBondContact O-CD2 3.43Å; K131-Y135 PolarHBondContact O-N 3.4Å; T132-Y135 PolarHBondContact O-N 3.33Å; Y135-E138 PolarHBondContact O-N 3.05Å; Y135-L139 WeakPolarHBondContact O-CB 3.32Å; Y135-L139 PolarHBondContact O-N 2.94Å |
| 136 | I | 93.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 170.4 | -63.2 | 163.2 | 0 | 0 | 0 | 110.8 | F79 C83 T87 V93 L94 L97 T132 C140 | F79-I136 HydrophobicContact CE1-CG1 4.07Å; F79-I136 HydrophobicContact CZ-CG1 4.11Å; C83-I136 HydrophobicContact CB-CD1 3.94Å; C83-I136 HydrophobicContact CB-CG1 4.36Å; T87-I136 HydrophobicContact CG2-CD1 3.67Å; V93-I136 HydrophobicContact CG1-CB 4.42Å; V93-I136 HydrophobicContact CG1-CD1 4.04Å; V93-I136 HydrophobicContact CG1-CG2 3.68Å; L94-I136 HydrophobicContact CD2-CD1 4.19Å; L97-I136 HydrophobicContact CB-CG2 4.27Å; L97-I136 HydrophobicContact CD2-CG2 4.2Å; T132-I136 HydrophobicContact CG2-CD1 3.8Å; T132-I136 HydrophobicContact CG2-CG1 4.32Å; T132-I136 WeakPolarHBondContact O-CG1 3.44Å; T132-I136 PolarHBondContact O-N 3.14Å; I136-C140 VanDerWaalsContact O-CB 3.28Å; I136-C140 WeakPolarHBondContact O-CB 3.47Å; I136-C140 PolarHBondContact O-N 3.11Å; I136-C140 PolarHBondContact O-SG 2.91Å |
| 137 | N | 93.7 | Very high | 92.2 | Very high | 101 Ų | 101 | 56.9 Ų | 56.9 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.5 | -34.6 | 178.1 | 177.5 | 73 | 0 | 0 | 0 | 112.7 | F133 V134 T141 | F133-N137 WeakPolarHBondContact O-CB 3.4Å; F133-N137 PolarHBondContact O-N 2.82Å; V134-N137 CarbonylContact O-C 3.51Å; V134-N137 PolarHBondContact O-N 3.43Å; V134-N137 VanDerWaalsContact O-N 3.17Å; N137-T141 WeakPolarHBondContact O-CB 3.45Å; N137-T141 PolarHBondContact O-N 3.34Å; N137-T141 PolarHBondContact O-OG1 2.86Å |
| 138 | E | 95.4 | Very high | 91.5 | Very high | 73 Ų | 73 | 58.5 Ų | 58.5 | 34% | 0.341 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62 | -54.1 | 172.5 | -173.6 | 168.9 | -171.9 | 0 | 0 | 110.4 | V134 Y135 C140 T141 V142 | V134-E138 WeakPolarHBondContact O-CB 3.44Å; V134-E138 PolarHBondContact O-N 3.42Å; Y135-E138 PolarHBondContact O-N 3.05Å; E138-C140 VanDerWaalsContact C-N 3.33Å; E138-C140 PolarHBondContact O-N 2.8Å; E138-T141 WeakPolarHBondContact O-CA 3.45Å; E138-T141 WeakPolarHBondContact O-CB 3.5Å; E138-T141 PolarHBondContact O-N 3.47Å; E138-V142 WeakPolarHBondContact O-CG2 3.42Å; E138-V142 PolarHBondContact O-N 2.71Å |
| 139 | L | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 175.5 | -170.7 | 62.6 | 0 | 0 | 0 | 112.4 | F76 F79 L97 F114 L118 Y135 T141 V142 L143 | F76-L139 HydrophobicContact CD2-CD2 4.47Å; F76-L139 HydrophobicContact CE2-CD2 4.33Å; F79-L139 HydrophobicContact CD1-CD2 3.58Å; F79-L139 HydrophobicContact CE1-CD2 3.48Å; F79-L139 VanDerWaalsContact CE1-CD2 3.48Å; F79-L139 HydrophobicContact CG-CD2 4.3Å; F79-L139 HydrophobicContact CZ-CD2 4.12Å; L97-L139 HydrophobicContact CD1-CB 4.32Å; L97-L139 HydrophobicContact CD1-CD2 3.92Å; L97-L139 HydrophobicContact CD1-CG 4.03Å; L97-L139 HydrophobicContact CD2-CD2 4.4Å; F114-L139 HydrophobicContact CE2-CD1 4.2Å; L118-L139 HydrophobicContact CD1-CD1 4.25Å; L118-L139 HydrophobicContact CD1-CD2 3.73Å; Y135-L139 WeakPolarHBondContact O-CB 3.32Å; Y135-L139 PolarHBondContact O-N 2.94Å; L139-T141 VanDerWaalsContact C-N 3.27Å; L139-T141 PolarHBondContact O-N 3.38Å; L139-V142 PolarHBondContact O-N 2.97Å; L139-L143 HydrophobicContact CG-CD1 4.1Å; L139-L143 WeakPolarHBondContact O-CB 3.28Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.48Å |
| 140 | C | 94.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 69.1 Ų | 69.1 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -31.2 | 172.2 | -75.4 | 0 | 0 | 0 | 0 | 113.1 | F96 L97 K100 I136 E138 K144 | F96-C140 HydrophobicContact CE1-CB 4.29Å; L97-C140 VanDerWaalsContact CD1-SG 3.53Å; K100-C140 HydrophobicContact CG-CB 4.3Å; I136-C140 VanDerWaalsContact O-CB 3.28Å; I136-C140 WeakPolarHBondContact O-CB 3.47Å; I136-C140 PolarHBondContact O-N 3.11Å; I136-C140 PolarHBondContact O-SG 2.91Å; E138-C140 VanDerWaalsContact C-N 3.33Å; E138-C140 PolarHBondContact O-N 2.8Å; C140-K144 WeakPolarHBondContact O-CB 3.33Å; C140-K144 PolarHBondContact O-N 3.11Å; C140-K144 VanDerWaalsContact O-N 3.12Å |
| 141 | T | 94.3 | Very high | 86.5 | Confident | 61 Ų | 61 | 76 Ų | 76 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.8 | -43.7 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | N137 E138 L139 K144 Q145 | N137-T141 WeakPolarHBondContact O-CB 3.45Å; N137-T141 PolarHBondContact O-N 3.34Å; N137-T141 PolarHBondContact O-OG1 2.86Å; E138-T141 WeakPolarHBondContact O-CA 3.45Å; E138-T141 WeakPolarHBondContact O-CB 3.5Å; E138-T141 PolarHBondContact O-N 3.47Å; L139-T141 VanDerWaalsContact C-N 3.27Å; L139-T141 PolarHBondContact O-N 3.38Å; T141-K144 WeakPolarHBondContact O-CB 3.37Å; T141-K144 PolarHBondContact O-N 3.05Å; T141-Q145 WeakPolarHBondContact O-CG 3.29Å; T141-Q145 PolarHBondContact O-N 3.15Å |
| 142 | V | 94.3 | Very high | 83.7 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 17% | 0.17 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.5 | -54.2 | 173.6 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | Y108 A117 E138 L139 K144 Q145 H146 | Y108-V142 HydrophobicContact CE1-CG1 4.23Å; Y108-V142 WeakPolarHBondContact OH-CG1 3.46Å; A117-V142 HydrophobicContact CB-CG1 4.42Å; E138-V142 WeakPolarHBondContact O-CG2 3.42Å; E138-V142 PolarHBondContact O-N 2.71Å; L139-V142 PolarHBondContact O-N 2.97Å; V142-K144 PolarHBondContact O-N 3.13Å; V142-K144 VanDerWaalsContact O-N 3.09Å; V142-Q145 WeakPolarHBondContact O-CB 3.34Å; V142-Q145 PolarHBondContact O-N 2.99Å; V142-H146 PolarHBondContact O-CD2 3.24Å; V142-H146 PolarHBondContact O-N 3.11Å |
| 143 | L | 94 | Very high | 80.7 | Confident | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.9 | -28.4 | 176.1 | -70.4 | 168.5 | 0 | 0 | 0 | 113.2 | F76 L97 K100 H101 A104 Y108 L109 F114 L139 S147 | F76-L143 HydrophobicContact CE2-CD1 4.32Å; L97-L143 HydrophobicContact CD1-CD1 3.88Å; K100-L143 HydrophobicContact CB-CB 3.85Å; K100-L143 HydrophobicContact CB-CD1 4.18Å; H101-L143 HydrophobicContact CB-CD1 4.25Å; A104-L143 HydrophobicContact CB-CD2 3.87Å; Y108-L143 HydrophobicContact CE1-CD2 4.33Å; L109-L143 HydrophobicContact CD2-CD2 3.94Å; F114-L143 HydrophobicContact CD2-CD2 4.28Å; F114-L143 HydrophobicContact CE2-CD2 3.74Å; F114-L143 HydrophobicContact CE2-CG 4.46Å; F114-L143 HydrophobicContact CZ-CD2 4.32Å; L139-L143 HydrophobicContact CG-CD1 4.1Å; L139-L143 WeakPolarHBondContact O-CB 3.28Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.48Å; L143-S147 PolarHBondContact O-N 2.8Å |
| 144 | K | 92.3 | Very high | 77.7 | Confident | 135 Ų | 135 | 90 Ų | 90 | 59% | 0.587 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -77.2 | -33.3 | 174 | -179.5 | -175.6 | 176.1 | -171.7 | 0 | 112.8 | C140 T141 V142 S147 | C140-K144 WeakPolarHBondContact O-CB 3.33Å; C140-K144 PolarHBondContact O-N 3.11Å; C140-K144 VanDerWaalsContact O-N 3.12Å; T141-K144 WeakPolarHBondContact O-CB 3.37Å; T141-K144 PolarHBondContact O-N 3.05Å; V142-K144 PolarHBondContact O-N 3.13Å; V142-K144 VanDerWaalsContact O-N 3.09Å; K144-S147 WeakPolarHBondContact O-CB 3.25Å; K144-S147 PolarHBondContact O-N 3.49Å; K144-S147 PolarHBondContact O-OG 3.17Å |
| 145 | Q | 92.3 | Very high | 74.6 | Confident | 112 Ų | 112 | 91.9 Ų | 91.9 | 52% | 0.523 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 175.8 | -74.7 | 162.6 | -13.9 | 0 | 0 | 110.5 | T141 V142 S147 K149 | T141-Q145 WeakPolarHBondContact O-CG 3.29Å; T141-Q145 PolarHBondContact O-N 3.15Å; V142-Q145 WeakPolarHBondContact O-CB 3.34Å; V142-Q145 PolarHBondContact O-N 2.99Å; Q145-S147 VanDerWaalsContact C-N 3.27Å; Q145-S147 PolarHBondContact O-N 3.37Å; Q145-K149 PolarHBondContact O-NZ 3.38Å |
| 146 | H | 89.6 | Confident | 71.5 | Confident | 54 Ų | 54 | 99.9 Ų | 99.9 | 25% | 0.25 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 26.8 | 179.2 | -56.9 | -109.2 | 0 | 0 | 0 | 113 | A104 C105 Y108 E113 V142 | A104-H146 CarbonylContact C-O 3.57Å; A104-H146 WeakPolarHBondContact CA-O 3.26Å; C105-H146 PolarHBondContact N-O 3.3Å; C105-H146 PolarHBondContact SG-O 2.71Å; Y108-H146 HydrophobicContact CD1-CB 3.75Å; Y108-H146 HydrophobicContact CD2-CB 4.08Å; Y108-H146 AromaticContact CD2-CE1 3.63Å; Y108-H146 AromaticContact CD2-CG 3.6Å; Y108-H146 AromaticContact CD2-ND1 3.2Å; Y108-H146 WeakPolarHBondContact CD2-ND1 3.28Å; Y108-H146 HydrophobicContact CE1-CB 4.27Å; Y108-H146 AromaticContact CE2-CD2 3.93Å; Y108-H146 AromaticContact CE2-CE1 3.55Å; Y108-H146 AromaticContact CE2-CG 3.8Å; Y108-H146 AromaticContact CE2-ND1 3.56Å; Y108-H146 AromaticContact CE2-NE2 3.83Å; Y108-H146 HydrophobicContact CG-CB 3.65Å; Y108-H146 AromaticContact CG-CG 3.73Å; Y108-H146 AromaticContact CG-ND1 3.71Å; E113-H146 IonicContact OE1-CE1 3.54Å; E113-H146 IonicContact OE1-NE2 2.68Å; E113-H146 IonicContact OE2-CE1 3.83Å; V142-H146 PolarHBondContact O-CD2 3.24Å; V142-H146 PolarHBondContact O-N 3.11Å |
| 147 | S | 88.8 | Confident | 68.3 | Low | 35 Ų | 35 | 104 Ų | 104 | 25% | 0.245 | 53% | 0.529 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 147.2 | 176.7 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | K103 L143 K144 Q145 K149 | K103-S147 VanDerWaalsContact O-CA 3.25Å; K103-S147 WeakPolarHBondContact O-CA 3.45Å; K103-S147 VanDerWaalsContact O-CB 3.25Å; K103-S147 WeakPolarHBondContact O-CB 3.33Å; L143-S147 PolarHBondContact O-N 2.8Å; K144-S147 WeakPolarHBondContact O-CB 3.25Å; K144-S147 PolarHBondContact O-N 3.49Å; K144-S147 PolarHBondContact O-OG 3.17Å; Q145-S147 VanDerWaalsContact C-N 3.27Å; Q145-S147 PolarHBondContact O-N 3.37Å; S147-K149 PolarHBondContact O-N 3.06Å |
| 148 | V | 74.8 | Confident | 65.1 | Low | 103 Ų | 103 | 107.4 Ų | 107.4 | 62% | 0.624 | 54% | 0.542 | S | S | * | . | trans | -72.7 | 91.8 | -177.1 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | K103 C105 K150 | K103-V148 PolarHBondContact O-N 2.91Å; C105-V148 HydrophobicContact CB-CG2 3.83Å; V148-K150 PolarHBondContact O-N 3.19Å | ||
| 149 | K | 71.1 | Confident | 62.3 | Low | 151 Ų | 151 | 109.6 Ų | 109.6 | 66% | 0.657 | 56% | 0.562 | S | S | * | * | trans | -75.1 | 88.3 | -177.4 | -69.8 | 159.9 | -167.2 | 147 | 0 | 111.7 | Q145 S147 R151 | Q145-K149 PolarHBondContact O-NZ 3.38Å; S147-K149 PolarHBondContact O-N 3.06Å; K149-R151 PolarHBondContact O-N 3.21Å | ||
| 150 | K | 49.6 | Very low | 58.9 | Low | 207 Ų | 207 | 115.4 Ų | 115.4 | 90% | 0.9 | 60% | 0.603 | S | S | * | * | trans | -60.1 | 99.3 | 167.7 | -166.9 | 172.1 | -173.6 | 175.2 | 0 | 109.4 | V148 Q152 | V148-K150 PolarHBondContact O-N 3.19Å; K150-Q152 PolarHBondContact O-N 2.85Å; K150-Q152 VanDerWaalsContact O-N 3.16Å | ||
| 151 | R | 36.8 | Very low | 55.7 | Low | 222 Ų | 222 | 119.5 Ų | 119.5 | 84% | 0.838 | 64% | 0.637 | S | S | * | * | trans | -67.2 | 109.7 | -177.4 | -84.7 | 177.3 | 63.4 | 180 | -1.6 | 110.8 | K149 T153 | K149-R151 PolarHBondContact O-N 3.21Å; R151-T153 PolarHBondContact O-N 2.92Å | ||
| 152 | Q | 34.8 | Very low | 52.5 | Low | 196 Ų | 196 | 121.8 Ų | 121.8 | 92% | 0.916 | 66% | 0.656 | S | S | * | * | trans | -71.9 | 117.2 | 165.1 | -156.4 | 169.3 | 17.4 | 0 | 0 | 108.3 | K150 L154 | K150-Q152 PolarHBondContact O-N 2.85Å; K150-Q152 VanDerWaalsContact O-N 3.16Å; Q152-L154 PolarHBondContact O-N 2.98Å | ||
| 153 | T | 27.2 | Very low | 49.3 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -81.3 | 104.3 | -174 | 42.3 | 0 | 0 | 0 | 0 | 111.4 | R151 S155 | R151-T153 PolarHBondContact O-N 2.92Å; T153-S155 PolarHBondContact O-N 3.35Å | ||
| 154 | L | 30.9 | Very low | 46.1 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | trans | -79.8 | 111.4 | 173 | -152.8 | 77 | 0 | 0 | 0 | 109.5 | Q152 K156 | Q152-L154 PolarHBondContact O-N 2.98Å; L154-K156 PolarHBondContact O-N 3Å | ||
| 155 | S | 28.4 | Very low | 43 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -70 | 125 | 178.5 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | T153 | T153-S155 PolarHBondContact O-N 3.35Š| ||
| 156 | K | 28.3 | Very low | 39.9 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 81% | 0.809 | 75% | 0.748 | S | S | * | * | trans | -111.1 | 124.9 | 172.3 | -173.9 | -169.1 | 173.3 | -158 | 0 | 109.3 | L154 | L154-K156 PolarHBondContact O-N 3Š| ||
| 157 | A | 27.8 | Very low | 37 | Very low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -77.3 | 153.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 158 | E | 27.2 | Very low | 34.1 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -108.8 | 160 | 172 | -77.3 | -110.1 | 113.6 | 0 | 0 | 111.1 | ||||
| 159 | P | 35.3 | Very low | 31.9 | Very low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -105.4 | 173.7 | -164.8 | 40.5 | -35.3 | 0 | 0 | 0 | 114.8 | ||||
| 160 | S | 25.2 | Very low | 29.6 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -136.9 | 153.5 | 159.7 | 50.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 161 | A | 27.5 | Very low | 28.4 | Very low | 92 Ų | 92 | 136 Ų | 136 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -86.2 | 173.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 162 | S | 25.6 | Very low | 28 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | cis | -146 | -175.5 | 21 | -59.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 163 | E | 27.7 | Very low | 27.6 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | cis | -148.2 | 165.1 | 20.4 | -63.8 | -175.7 | 107.1 | 0 | 0 | 113.1 | ||||
| 164 | S | 27.6 | Very low | 27.5 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | 37.6 | 129.9 | 144.3 | -154.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 165 | G | 26.2 | Very low | 27.3 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | -159 | -46.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 166 | S | 27.6 | Very low | 27.1 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 69.6 | 135.4 | 176.9 | -163.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 167 | H | 29.5 | Very low | 27.1 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 54.3 | 125.5 | 155.4 | 77.8 | -84 | 0 | 0 | 0 | 124.4 | ||||
| 168 | L | 27.2 | Very low | 26.9 | Very low | 153 Ų | 153 | 131 Ų | 131 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | trans | 57.1 | 126.9 | 136.4 | -98.6 | 69.2 | 0 | 0 | 0 | 123.5 | ||||
| 169 | S | 27.5 | Very low | 27 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | 100.2 | 110.8 | 123.2 | -78.1 | 0 | 0 | 0 | 0 | 122 | |||||
| 170 | T | 24 | Very low | 26.7 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | 63 | 104.7 | 117.6 | -39.9 | 0 | 0 | 0 | 0 | 118.7 | T172 | T170-T172 PolarHBondContact O-N 2.76Š| |||
| 171 | S | 24.8 | Very low | 26.8 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -53 | 131.5 | 157.1 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 172 | T | 27 | Very low | 26.8 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | 179.1 | 120.7 | 112.1 | 27.4 | 0 | 0 | 0 | 0 | 114.7 | T170 | T170-T172 PolarHBondContact O-N 2.76Š| |||
| 173 | S | 26.1 | Very low | 26.9 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | 67.2 | 155.6 | 132 | -152.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 174 | L | 26.3 | Very low | 27 | Very low | 145 Ų | 145 | 140 Ų | 140 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 69.9 | 139.3 | 173.8 | -45.8 | -178.2 | 0 | 0 | 0 | 114.6 | ||||
| 175 | K | 26.4 | Very low | 27 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | cis | -152.2 | 148.6 | 17.6 | -142.3 | 165 | -170.7 | 169.3 | 0 | 112.3 | ||||
| 176 | N | 25.1 | Very low | 27.1 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | -7.5 | 141.9 | 162.5 | -44.7 | 10.5 | 0 | 0 | 0 | 117.8 | ||||
| 177 | K | 26.8 | Very low | 27.1 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | -168.2 | 158.1 | 83.9 | -139.9 | 165.1 | -177 | 175.5 | 0 | 116.2 | |||||
| 178 | D | 25.2 | Very low | 27.2 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -44 | 144.3 | 173.4 | -50.9 | -107.4 | 0 | 0 | 0 | 116.7 | ||||
| 179 | K | 29 | Very low | 27.1 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | 177.1 | 132.7 | 94.8 | -99.1 | 174.7 | -178.2 | 169.1 | 0 | 114.8 | |||||
| 180 | R | 27.6 | Very low | 27.1 | Very low | 223 Ų | 223 | 143.6 Ų | 143.6 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | trans | 63.2 | 163.8 | 143.2 | -73.6 | -173.6 | 166.5 | -171.6 | -3.3 | 117.7 | ||||
| 181 | K | 28.8 | Very low | 27.3 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | cis | -174.6 | 128 | -26.4 | 171.3 | -172.6 | 175.2 | -169.3 | 0 | 107.7 | ||||
| 182 | G | 26.9 | Very low | 27.5 | Very low | 65 Ų | 65 | 146.4 Ų | 146.4 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | 129.8 | 128.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 183 | R | 28.4 | Very low | 27.5 | Very low | 233 Ų | 233 | 144.9 Ų | 144.9 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | cis | 64 | 122 | 18.9 | -140.9 | -144.4 | 174.6 | -171.7 | -2.5 | 111.7 | ||||
| 184 | T | 28.7 | Very low | 27.6 | Very low | 95 Ų | 95 | 147.9 Ų | 147.9 | 58% | 0.583 | 75% | 0.753 | S | S | * | * | cis | -155 | 167.7 | 9.1 | -8.9 | 0 | 0 | 0 | 0 | 107 | E186 | T184-E186 WeakPolarHBondContact CG2-OE1 3.25Š| ||
| 185 | G | 27.2 | Very low | 27.7 | Very low | 55 Ų | 55 | 149.3 Ų | 149.3 | 57% | 0.567 | 76% | 0.756 | S | S | * | * | cis | -150.1 | 178.9 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 186 | E | 29.5 | Very low | 27.7 | Very low | 149 Ų | 149 | 149.3 Ų | 149.3 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | 68.7 | 99.7 | 82.9 | -63.5 | 151.2 | -158.1 | 0 | 0 | 110 | T184 | T184-E186 WeakPolarHBondContact CG2-OE1 3.25Š| |||
| 187 | E | 27.6 | Very low | 27.8 | Very low | 181 Ų | 181 | 152.1 Ų | 152.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | 87.2 | 143.7 | 92 | -80.3 | 159.9 | -152 | 0 | 0 | 111.1 | |||||
| 188 | E | 30.9 | Very low | 28.2 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | cis | -127.1 | 154.2 | 8.3 | -97.5 | 159.8 | 159.1 | 0 | 0 | 109.8 | ||||
| 189 | D | 25.7 | Very low | 28.5 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | 59.2 | 141.6 | 85.7 | -155.4 | 19.6 | 0 | 0 | 0 | 116.8 | |||||
| 190 | G | 26.6 | Very low | 28.4 | Very low | 70 Ų | 70 | 146.4 Ų | 146.4 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 156.2 | 128.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 191 | V | 28.3 | Very low | 28.3 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | trans | -131.2 | 163.3 | -165.4 | -165.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 192 | Q | 29.1 | Very low | 28.4 | Very low | 165 Ų | 165 | 138 Ų | 138 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | trans | 97.5 | 108.6 | 161.2 | -54.3 | -167.1 | -91.8 | 0 | 0 | 119 | ||||
| 193 | S | 26.9 | Very low | 28.4 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | 53.8 | 152 | 110.5 | -49.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 194 | E | 29.3 | Very low | 28.8 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 68.5 | 152.7 | 157.2 | -69.5 | 149 | -122.1 | 0 | 0 | 117.9 | ||||
| 195 | E | 27.1 | Very low | 29.4 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -156.6 | 175.7 | -44.4 | -146.1 | 162.2 | -144.5 | 0 | 0 | 108.1 | ||||
| 196 | E | 27.9 | Very low | 29.5 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | 36 | 119.2 | 167.9 | -57.1 | -157 | 134.6 | 0 | 0 | 121.8 | ||||
| 197 | E | 26.8 | Very low | 30.3 | Very low | 198 Ų | 198 | 141.3 Ų | 141.3 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | -158.2 | 142.8 | 114.1 | -125.9 | -176.6 | 178.1 | 0 | 0 | 111.4 | |||||
| 198 | Q | 34.2 | Very low | 30.6 | Very low | 157 Ų | 157 | 139 Ų | 139 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -95.6 | 168.9 | 164.1 | -60.7 | -166.9 | 9 | 0 | 0 | 109.8 | ||||
| 199 | P | 33 | Very low | 31.2 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | -141.3 | 158.4 | 92.1 | 36.3 | -22.3 | 0 | 0 | 0 | 115 | |||||
| 200 | S | 27 | Very low | 32.1 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -70.4 | 156 | 178.3 | -31.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 201 | T | 24.5 | Very low | 33.4 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | -154.9 | 130.5 | 125.9 | -164.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 202 | S | 31.4 | Very low | 34.8 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 12.9 | 123.4 | 154 | 60.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 203 | G | 27.1 | Very low | 36.8 | Very low | 76 Ų | 76 | 137.5 Ų | 137.5 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 176.5 | 82.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 204 | E | 36.9 | Very low | 39.4 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -63.6 | 142.5 | 148.7 | -65.1 | -175.7 | 120.5 | 0 | 0 | 107.8 | ||||
| 205 | P | 39.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | -145.1 | 150.5 | 90.2 | 37.6 | -22.8 | 0 | 0 | 0 | 115.5 | |||||
| 206 | G | 30.6 | Very low | 44.4 | Very low | 63 Ų | 63 | 130 Ų | 130 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | trans | 90.3 | 109.4 | 140 | 0 | 0 | 0 | 0 | 0 | 116.9 | T208 | G206-T208 PolarHBondContact O-N 3.48Š| ||
| 207 | E | 44.9 | Very low | 47.3 | Very low | 203 Ų | 203 | 128.9 Ų | 128.9 | 95% | 0.949 | 73% | 0.733 | S | S | * | * | trans | -63.8 | 96.6 | 152.1 | -63.3 | 178.5 | 116.8 | 0 | 0 | 109.4 | G209 | E207-G209 VanDerWaalsContact C-N 3.28Å; E207-G209 PolarHBondContact O-N 3.06Å | ||
| 208 | T | 35 | Very low | 50.3 | Low | 134 Ų | 134 | 125 Ų | 125 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -89.3 | 73.1 | 162 | 58.8 | 0 | 0 | 0 | 0 | 108.9 | G206 E210 | G206-T208 PolarHBondContact O-N 3.48Å; T208-E210 PolarHBondContact O-N 3.41Å | ||
| 209 | G | 42.6 | Very low | 52.9 | Low | 63 Ų | 63 | 120.2 Ų | 120.2 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | -60.8 | 121.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | E207 E211 | E207-G209 VanDerWaalsContact C-N 3.28Å; E207-G209 PolarHBondContact O-N 3.06Å; G209-E211 VanDerWaalsContact C-N 3.35Å; G209-E211 PolarHBondContact O-N 2.96Å | ||
| 210 | E | 46.1 | Very low | 55.6 | Low | 190 Ų | 190 | 120.1 Ų | 120.1 | 89% | 0.888 | 68% | 0.683 | S | S | * | * | trans | -68.6 | 95 | 174.4 | -71 | -172.1 | 149.2 | 0 | 0 | 109.4 | T208 K212 | T208-E210 PolarHBondContact O-N 3.41Å; E210-K212 VanDerWaalsContact C-N 3.31Å; E210-K212 PolarHBondContact O-N 2.92Å | ||
| 211 | E | 52 | Low | 58.7 | Low | 186 Ų | 186 | 123.2 Ų | 123.2 | 87% | 0.869 | 68% | 0.679 | S | S | * | * | trans | -60 | 91.5 | 170.9 | -69.8 | -172.6 | 158.4 | 0 | 0 | 110.1 | G209 | G209-E211 VanDerWaalsContact C-N 3.35Å; G209-E211 PolarHBondContact O-N 2.96Å | ||
| 212 | K | 58.1 | Low | 61.9 | Low | 129 Ų | 129 | 117.9 Ų | 117.9 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | trans | -56.3 | 125.5 | 157.1 | -75.1 | -175.3 | 177.5 | -179.6 | 0 | 107 | E210 E214 | E210-K212 VanDerWaalsContact C-N 3.31Å; E210-K212 PolarHBondContact O-N 2.92Å; K212-E214 PolarHBondContact O-N 3.13Å | ||
| 213 | P | 72.6 | Confident | 64.9 | Low | 89 Ų | 89 | 116.1 Ų | 116.1 | 58% | 0.578 | 63% | 0.63 | S | S | * | * | trans | -54.9 | 138.3 | -171 | 22.1 | -33.7 | 0 | 0 | 0 | 109.5 | A215 D216 R217 | P213-A215 PolarHBondContact O-N 2.9Å; P213-D216 HydrophobicContact CG-CB 4.22Å; P213-D216 WeakPolarHBondContact O-CA 3.47Å; P213-D216 WeakPolarHBondContact O-CB 3.43Å; P213-D216 PolarHBondContact O-N 2.85Å; P213-R217 PolarHBondContact O-N 2.95Å | ||
| 214 | E | 80 | Confident | 68 | Low | 159 Ų | 159 | 121.7 Ų | 121.7 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -54.3 | -33.1 | -173 | -168.8 | -179.5 | 179.5 | 0 | 0 | 112.6 | K212 D216 R217 K218 | K212-E214 PolarHBondContact O-N 3.13Å; E214-D216 VanDerWaalsContact C-N 3.33Å; E214-D216 PolarHBondContact O-N 2.81Å; E214-R217 CarbonylContact O-C 3.51Å; E214-R217 WeakPolarHBondContact O-CA 3.49Å; E214-R217 WeakPolarHBondContact O-CB 3.34Å; E214-R217 PolarHBondContact O-N 3.07Å; E214-K218 PolarHBondContact O-N 3.39Å |
| 215 | A | 78.1 | Confident | 70.8 | Confident | 72 Ų | 72 | 119.5 Ų | 119.5 | 60% | 0.595 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -55.6 | -38.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P213 R217 K218 A219 | P213-A215 PolarHBondContact O-N 2.9Å; A215-R217 VanDerWaalsContact C-N 3.34Å; A215-K218 PolarHBondContact O-N 3.24Å; A215-A219 VanDerWaalsContact O-CB 3.23Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.32Å |
| 216 | D | 84.3 | Confident | 73.4 | Confident | 45 Ų | 45 | 114.8 Ų | 114.8 | 24% | 0.241 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -67.9 | -34.2 | 172.8 | 177.9 | 52.7 | 0 | 0 | 0 | 111 | P213 E214 R220 | P213-D216 HydrophobicContact CG-CB 4.22Å; P213-D216 WeakPolarHBondContact O-CA 3.47Å; P213-D216 WeakPolarHBondContact O-CB 3.43Å; P213-D216 PolarHBondContact O-N 2.85Å; E214-D216 VanDerWaalsContact C-N 3.33Å; E214-D216 PolarHBondContact O-N 2.81Å; D216-R220 VanDerWaalsContact CG-NH2 3.28Å; D216-R220 VanDerWaalsContact O-CB 3.29Å; D216-R220 WeakPolarHBondContact O-CB 3.3Å; D216-R220 WeakPolarHBondContact O-CG 3.41Å; D216-R220 PolarHBondContact O-N 3.05Å; D216-R220 IonicContact OD1-CZ 3.21Å; D216-R220 IonicContact OD1-NE 2.92Å; D216-R220 PolarHBondContact OD1-NE 3.38Å; D216-R220 IonicContact OD1-NH2 2.91Å; D216-R220 PolarHBondContact OD1-NH2 2.91Å; D216-R220 IonicContact OD2-CZ 3.24Å; D216-R220 VanDerWaalsContact OD2-CZ 3.24Å; D216-R220 IonicContact OD2-NE 2.81Å; D216-R220 PolarHBondContact OD2-NE 2.95Å; D216-R220 IonicContact OD2-NH2 2.8Å; D216-R220 PolarHBondContact OD2-NH2 3.42Å |
| 217 | R | 87.6 | Confident | 76.4 | Confident | 155 Ų | 155 | 113 Ų | 113 | 59% | 0.585 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.1 | -40.7 | 173.4 | -59.5 | -179.7 | 72.9 | 173.2 | -0.6 | 111.3 | P213 E214 A215 R221 | P213-R217 PolarHBondContact O-N 2.95Å; E214-R217 CarbonylContact O-C 3.51Å; E214-R217 WeakPolarHBondContact O-CA 3.49Å; E214-R217 WeakPolarHBondContact O-CB 3.34Å; E214-R217 PolarHBondContact O-N 3.07Å; A215-R217 VanDerWaalsContact C-N 3.34Å; R217-R221 VanDerWaalsContact O-CG 3.29Å; R217-R221 WeakPolarHBondContact O-CG 3.47Å; R217-R221 PolarHBondContact O-N 3.21Å; R217-R221 VanDerWaalsContact O-N 3.07Å |
| 218 | K | 90.5 | Very high | 78.9 | Confident | 116 Ų | 116 | 105.8 Ų | 105.8 | 50% | 0.504 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 175.1 | -164.8 | 164.8 | -176.1 | 166.8 | 0 | 111 | E214 A215 R220 R221 A222 | E214-K218 PolarHBondContact O-N 3.39Å; A215-K218 PolarHBondContact O-N 3.24Å; K218-R220 PolarHBondContact O-N 3.45Å; K218-R221 WeakPolarHBondContact O-CB 3.29Å; K218-R221 PolarHBondContact O-N 3.12Å; K218-R221 VanDerWaalsContact O-N 3.09Å; K218-A222 PolarHBondContact O-N 3.09Å |
| 219 | A | 88.9 | Confident | 81.8 | Confident | 57 Ų | 57 | 103.4 Ų | 103.4 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A215 R221 A222 L223 | A215-A219 VanDerWaalsContact O-CB 3.23Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.32Å; A219-R221 VanDerWaalsContact C-N 3.31Å; A219-R221 PolarHBondContact O-N 3.36Å; A219-A222 WeakPolarHBondContact O-CB 3.4Å; A219-A222 PolarHBondContact O-N 2.95Å; A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 3.24Å |
| 220 | R | 89.5 | Confident | 84.3 | Confident | 126 Ų | 126 | 100.4 Ų | 100.4 | 48% | 0.475 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.3 | -31.4 | 173.6 | -72.5 | 173.6 | -159.2 | -83 | -6.1 | 113.1 | D216 K218 R224 | D216-R220 VanDerWaalsContact CG-NH2 3.28Å; D216-R220 VanDerWaalsContact O-CB 3.29Å; D216-R220 WeakPolarHBondContact O-CB 3.3Å; D216-R220 WeakPolarHBondContact O-CG 3.41Å; D216-R220 PolarHBondContact O-N 3.05Å; D216-R220 IonicContact OD1-CZ 3.21Å; D216-R220 IonicContact OD1-NE 2.92Å; D216-R220 PolarHBondContact OD1-NE 3.38Å; D216-R220 IonicContact OD1-NH2 2.91Å; D216-R220 PolarHBondContact OD1-NH2 2.91Å; D216-R220 IonicContact OD2-CZ 3.24Å; D216-R220 VanDerWaalsContact OD2-CZ 3.24Å; D216-R220 IonicContact OD2-NE 2.81Å; D216-R220 PolarHBondContact OD2-NE 2.95Å; D216-R220 IonicContact OD2-NH2 2.8Å; D216-R220 PolarHBondContact OD2-NH2 3.42Å; K218-R220 PolarHBondContact O-N 3.45Å; R220-R224 WeakPolarHBondContact O-CD 3.44Å; R220-R224 VanDerWaalsContact O-CG 3.24Å; R220-R224 WeakPolarHBondContact O-CG 3.37Å; R220-R224 PolarHBondContact O-N 2.91Å |
| 221 | R | 92.8 | Very high | 86.7 | Confident | 165 Ų | 165 | 95.6 Ų | 95.6 | 62% | 0.623 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.6 | -43 | 172.3 | -75.8 | 167.3 | 168.2 | 172.5 | -5.8 | 110.7 | R217 K218 A219 R224 K225 | R217-R221 VanDerWaalsContact O-CG 3.29Å; R217-R221 WeakPolarHBondContact O-CG 3.47Å; R217-R221 PolarHBondContact O-N 3.21Å; R217-R221 VanDerWaalsContact O-N 3.07Å; K218-R221 WeakPolarHBondContact O-CB 3.29Å; K218-R221 PolarHBondContact O-N 3.12Å; K218-R221 VanDerWaalsContact O-N 3.09Å; A219-R221 VanDerWaalsContact C-N 3.31Å; A219-R221 PolarHBondContact O-N 3.36Å; R221-R224 PolarHBondContact O-N 2.97Å; R221-K225 PolarHBondContact O-N 3.3Å; R221-K225 VanDerWaalsContact O-N 3.1Å |
| 222 | A | 91.8 | Very high | 88.8 | Confident | 18 Ų | 18 | 91.7 Ų | 91.7 | 15% | 0.149 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.1 | -53.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | K218 A219 R224 K225 Q226 H482 | K218-A222 PolarHBondContact O-N 3.09Å; A219-A222 WeakPolarHBondContact O-CB 3.4Å; A219-A222 PolarHBondContact O-N 2.95Å; A222-R224 PolarHBondContact O-N 2.82Å; A222-K225 WeakPolarHBondContact O-CA 3.47Å; A222-K225 WeakPolarHBondContact O-CB 3.19Å; A222-K225 PolarHBondContact O-N 3.32Å; A222-Q226 PolarHBondContact O-N 3.45Å; A222-H482 WeakPolarHBondContact CB-CD2 3.49Å; A222-H482 WeakPolarHBondContact CB-NE2 3.42Å |
| 223 | L | 92.8 | Very high | 90.5 | Very high | 69 Ų | 69 | 86 Ų | 86 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.5 | -36.8 | 178.3 | 179.8 | 61.2 | 0 | 0 | 0 | 112.3 | A219 Q226 I227 L281 | A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 3.24Å; L223-Q226 PolarHBondContact O-N 3.24Å; L223-I227 HydrophobicContact CD1-CD1 4.08Å; L223-I227 HydrophobicContact CD1-CG1 4.38Å; L223-I227 HydrophobicContact CG-CD1 3.99Å; L223-I227 WeakPolarHBondContact O-CB 3.46Å; L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 3.39Å; L223-L281 HydrophobicContact CD1-CB 4.05Å; L223-L281 HydrophobicContact CD1-CD2 3.72Å; L223-L281 HydrophobicContact CD1-CG 4.38Å |
| 224 | R | 94.1 | Very high | 91.7 | Very high | 193 Ų | 193 | 83.8 Ų | 83.8 | 73% | 0.728 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.7 | -39.2 | 174.2 | -75 | 173.5 | -179 | -150.3 | 0.3 | 112.9 | R220 R221 A222 A228 | R220-R224 WeakPolarHBondContact O-CD 3.44Å; R220-R224 VanDerWaalsContact O-CG 3.24Å; R220-R224 WeakPolarHBondContact O-CG 3.37Å; R220-R224 PolarHBondContact O-N 2.91Å; R221-R224 PolarHBondContact O-N 2.97Å; A222-R224 PolarHBondContact O-N 2.82Å; R224-A228 WeakPolarHBondContact O-CB 3.24Å; R224-A228 PolarHBondContact O-N 3.17Å |
| 225 | K | 94.3 | Very high | 92.5 | Very high | 150 Ų | 150 | 82.1 Ų | 82.1 | 65% | 0.652 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | 173 | -71.9 | -174 | 174.7 | -171.4 | 0 | 110.7 | R221 A222 A228 Y229 | R221-K225 PolarHBondContact O-N 3.3Å; R221-K225 VanDerWaalsContact O-N 3.1Å; A222-K225 WeakPolarHBondContact O-CA 3.47Å; A222-K225 WeakPolarHBondContact O-CB 3.19Å; A222-K225 PolarHBondContact O-N 3.32Å; K225-A228 PolarHBondContact O-N 2.88Å; K225-Y229 PolarHBondContact O-N 3.07Å |
| 226 | Q | 94 | Very high | 93.4 | Very high | 28 Ų | 28 | 83.8 Ų | 83.8 | 13% | 0.131 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 178.5 | -172.6 | 175.3 | 26.7 | 0 | 0 | 112.5 | A222 L223 A228 Y229 L230 L281 S478 T479 | A222-Q226 PolarHBondContact O-N 3.45Å; L223-Q226 PolarHBondContact O-N 3.24Å; Q226-A228 PolarHBondContact O-N 3.09Å; Q226-Y229 PolarHBondContact O-N 2.94Å; Q226-L230 HydrophobicContact CG-CD1 4.26Å; Q226-L230 WeakPolarHBondContact O-CG 3.32Å; Q226-L230 PolarHBondContact O-N 2.94Å; Q226-L281 HydrophobicContact CG-CD1 4.13Å; Q226-S478 PolarHBondContact NE2-OG 2.82Å; Q226-T479 PolarHBondContact NE2-OG1 3.44Å |
| 227 | I | 95.3 | Very high | 94 | Very high | 25 Ų | 25 | 82.8 Ų | 82.8 | 13% | 0.128 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.2 | -72.2 | 166.7 | 0 | 0 | 0 | 110.9 | L223 Y229 L230 E231 L278 L281 K282 | L223-I227 HydrophobicContact CD1-CD1 4.08Å; L223-I227 HydrophobicContact CD1-CG1 4.38Å; L223-I227 HydrophobicContact CG-CD1 3.99Å; L223-I227 WeakPolarHBondContact O-CB 3.46Å; L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 3.39Å; I227-Y229 PolarHBondContact O-N 3.26Å; I227-L230 PolarHBondContact O-N 3.35Å; I227-E231 HydrophobicContact CG2-CG 4.3Å; I227-E231 WeakPolarHBondContact O-CB 3.28Å; I227-E231 VanDerWaalsContact O-CG 3.3Å; I227-E231 WeakPolarHBondContact O-CG 3.48Å; I227-E231 PolarHBondContact O-N 3.22Å; I227-L278 HydrophobicContact CG2-CD2 4.09Å; I227-L281 HydrophobicContact CD1-CB 4.22Å; I227-L281 HydrophobicContact CG1-CB 3.97Å; I227-L281 HydrophobicContact CG1-CD1 4.44Å; I227-K282 HydrophobicContact CD1-CG 4.05Å |
| 228 | A | 96.3 | Very high | 94.4 | Very high | 52 Ų | 52 | 78.5 Ų | 78.5 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.7 | -35.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R224 K225 Q226 N232 | R224-A228 WeakPolarHBondContact O-CB 3.24Å; R224-A228 PolarHBondContact O-N 3.17Å; K225-A228 PolarHBondContact O-N 2.88Å; Q226-A228 PolarHBondContact O-N 3.09Å; A228-N232 WeakPolarHBondContact O-CB 3.47Å; A228-N232 PolarHBondContact O-N 3.44Å; A228-N232 VanDerWaalsContact O-N 3.09Å |
| 229 | Y | 95.4 | Very high | 94.7 | Very high | 84 Ų | 84 | 76 Ų | 76 | 33% | 0.329 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -52.3 | 172 | 172.1 | -96.1 | 0 | 0 | 0 | 111.2 | K225 Q226 I227 E231 N232 L233 | K225-Y229 PolarHBondContact O-N 3.07Å; Q226-Y229 PolarHBondContact O-N 2.94Å; I227-Y229 PolarHBondContact O-N 3.26Å; Y229-E231 VanDerWaalsContact C-N 3.34Å; Y229-E231 PolarHBondContact O-N 3.43Å; Y229-N232 PolarHBondContact O-N 3.33Å; Y229-N232 VanDerWaalsContact O-N 3.12Å; Y229-L233 HydrophobicContact CE1-CD2 4.16Å; Y229-L233 PolarHBondContact O-N 2.93Å |
| 230 | L | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.5 | -34.4 | -179.6 | -68.1 | 173.5 | 0 | 0 | 0 | 112.4 | Q226 I227 L233 L234 I274 K277 L278 L281 I475 | Q226-L230 HydrophobicContact CG-CD1 4.26Å; Q226-L230 WeakPolarHBondContact O-CG 3.32Å; Q226-L230 PolarHBondContact O-N 2.94Å; I227-L230 PolarHBondContact O-N 3.35Å; L230-L233 HydrophobicContact CD2-CD2 4.44Å; L230-L233 PolarHBondContact O-N 3.25Å; L230-L234 VanDerWaalsContact O-CB 3.26Å; L230-L234 WeakPolarHBondContact O-CB 3.35Å; L230-L234 PolarHBondContact O-N 3Å; L230-I274 HydrophobicContact CB-CG2 4.17Å; L230-I274 HydrophobicContact CD2-CG2 4.32Å; L230-K277 HydrophobicContact CD1-CG 4.29Å; L230-L278 HydrophobicContact CB-CD1 4.28Å; L230-L278 HydrophobicContact CB-CD2 3.7Å; L230-L278 HydrophobicContact CB-CG 3.91Å; L230-L278 HydrophobicContact CD1-CD2 4.49Å; L230-L281 HydrophobicContact CD1-CD1 3.54Å; L230-I475 HydrophobicContact CD2-CG1 4.49Å |
| 231 | E | 96.1 | Very high | 95.5 | Very high | 90 Ų | 90 | 70.5 Ų | 70.5 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 171.5 | -76.9 | 177.2 | 163.4 | 0 | 0 | 112.4 | I227 Y229 K235 L278 K282 | I227-E231 HydrophobicContact CG2-CG 4.3Å; I227-E231 WeakPolarHBondContact O-CB 3.28Å; I227-E231 VanDerWaalsContact O-CG 3.3Å; I227-E231 WeakPolarHBondContact O-CG 3.48Å; I227-E231 PolarHBondContact O-N 3.22Å; Y229-E231 VanDerWaalsContact C-N 3.34Å; Y229-E231 PolarHBondContact O-N 3.43Å; E231-K235 PolarHBondContact O-N 2.95Å; E231-K235 VanDerWaalsContact O-N 3.13Å; E231-L278 HydrophobicContact CG-CD1 4.23Å; E231-L278 HydrophobicContact CG-CD2 3.98Å; E231-K282 WeakPolarHBondContact OE1-CE 3.25Å; E231-K282 IonicContact OE1-NZ 3.73Å; E231-K282 PolarHBondContact OE1-NZ 3Å |
| 232 | N | 96.3 | Very high | 95.7 | Very high | 103 Ų | 103 | 66 Ų | 66 | 55% | 0.551 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -72.5 | -37.4 | 176.5 | -174.3 | 71.6 | 0 | 0 | 0 | 112.3 | A228 Y229 K235 L236 | A228-N232 WeakPolarHBondContact O-CB 3.47Å; A228-N232 PolarHBondContact O-N 3.44Å; A228-N232 VanDerWaalsContact O-N 3.09Å; Y229-N232 PolarHBondContact O-N 3.33Å; Y229-N232 VanDerWaalsContact O-N 3.12Å; N232-K235 PolarHBondContact O-N 3.45Å; N232-L236 PolarHBondContact O-N 3.43Å |
| 233 | L | 95.5 | Very high | 96 | Very high | 10 Ų | 10 | 70.8 Ų | 70.8 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 174.2 | -175.3 | 62.8 | 0 | 0 | 0 | 111.5 | Y229 L230 K235 L236 Y237 I274 | Y229-L233 HydrophobicContact CE1-CD2 4.16Å; Y229-L233 PolarHBondContact O-N 2.93Å; L230-L233 HydrophobicContact CD2-CD2 4.44Å; L230-L233 PolarHBondContact O-N 3.25Å; L233-K235 PolarHBondContact O-N 2.64Å; L233-L236 WeakPolarHBondContact O-CB 3.36Å; L233-L236 PolarHBondContact O-N 2.86Å; L233-L236 VanDerWaalsContact O-N 3.12Å; L233-Y237 HydrophobicContact CD1-CD1 4.31Å; L233-Y237 HydrophobicContact CD1-CE1 3.85Å; L233-Y237 HydrophobicContact CG-CE1 4.46Å; L233-Y237 PolarHBondContact O-N 3.02Å; L233-I274 HydrophobicContact CD2-CD1 3.65Å; L233-I274 HydrophobicContact CD2-CG1 4.42Å; L233-I274 HydrophobicContact CG-CD1 3.74Å |
| 234 | L | 96.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56 | -40.2 | 173.1 | -168.4 | 80.6 | 0 | 0 | 0 | 111.6 | L230 N238 M271 I274 L278 | L230-L234 VanDerWaalsContact O-CB 3.26Å; L230-L234 WeakPolarHBondContact O-CB 3.35Å; L230-L234 PolarHBondContact O-N 3Å; L234-N238 WeakPolarHBondContact O-CB 3.38Å; L234-N238 PolarHBondContact O-N 3.33Å; L234-M271 HydrophobicContact CD1-CB 4.5Å; L234-M271 HydrophobicContact CD1-CG 3.51Å; L234-M271 VanDerWaalsContact CD1-O 3.24Å; L234-M271 WeakPolarHBondContact CD1-O 3.37Å; L234-M271 HydrophobicContact CG-CG 4.31Å; L234-I274 HydrophobicContact CB-CG2 4.06Å; L234-I274 HydrophobicContact CD1-CB 4Å; L234-I274 HydrophobicContact CD1-CG2 3.86Å; L234-L278 HydrophobicContact CB-CD1 4.46Å; L234-L278 HydrophobicContact CD2-CD1 4.04Å |
| 235 | K | 96.8 | Very high | 96.4 | Very high | 125 Ų | 125 | 60.6 Ų | 60.6 | 54% | 0.543 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 175.3 | -169.2 | -154.6 | 166.3 | -152.2 | 0 | 112.1 | E231 N232 L233 Y237 N238 D239 | E231-K235 PolarHBondContact O-N 2.95Å; E231-K235 VanDerWaalsContact O-N 3.13Å; N232-K235 PolarHBondContact O-N 3.45Å; L233-K235 PolarHBondContact O-N 2.64Å; K235-Y237 VanDerWaalsContact C-N 3.33Å; K235-Y237 PolarHBondContact O-N 2.82Å; K235-N238 PolarHBondContact O-N 3.45Å; K235-N238 VanDerWaalsContact O-N 3.09Å; K235-D239 WeakPolarHBondContact CE-OD2 3.45Å; K235-D239 IonicContact NZ-OD2 2.78Å; K235-D239 PolarHBondContact O-N 3.1Å |
| 236 | L | 96.9 | Very high | 96.5 | Very high | 107 Ų | 107 | 58.2 Ų | 58.2 | 56% | 0.56 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -56.9 | -48.1 | 177.5 | 179.6 | 64.5 | 0 | 0 | 0 | 110.9 | N232 L233 N238 D239 E240 | N232-L236 PolarHBondContact O-N 3.43Å; L233-L236 WeakPolarHBondContact O-CB 3.36Å; L233-L236 PolarHBondContact O-N 2.86Å; L233-L236 VanDerWaalsContact O-N 3.12Å; L236-N238 VanDerWaalsContact C-N 3.33Å; L236-N238 PolarHBondContact O-N 3.22Å; L236-D239 PolarHBondContact O-N 3.25Å; L236-E240 WeakPolarHBondContact O-CB 3.35Å; L236-E240 PolarHBondContact O-N 3.37Å |
| 237 | Y | 97.1 | Very high | 96.6 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 9% | 0.09 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 174.4 | -72.7 | 0.9 | 0 | 0 | 0 | 112.3 | L233 K235 E240 I241 K270 M271 I274 I471 E474 | L233-Y237 HydrophobicContact CD1-CD1 4.31Å; L233-Y237 HydrophobicContact CD1-CE1 3.85Å; L233-Y237 HydrophobicContact CG-CE1 4.46Å; L233-Y237 PolarHBondContact O-N 3.02Å; K235-Y237 VanDerWaalsContact C-N 3.33Å; K235-Y237 PolarHBondContact O-N 2.82Å; Y237-E240 PolarHBondContact O-N 3.27Å; Y237-I241 WeakPolarHBondContact O-CB 3.48Å; Y237-I241 WeakPolarHBondContact O-CD1 3.42Å; Y237-I241 WeakPolarHBondContact O-CG1 3.38Å; Y237-I241 PolarHBondContact O-N 3.39Å; Y237-K270 HydrophobicContact CD2-CB 4.29Å; Y237-K270 HydrophobicContact CE2-CB 3.64Å; Y237-M271 HydrophobicContact CD2-CB 4.38Å; Y237-I274 HydrophobicContact CD2-CD1 3.61Å; Y237-I274 HydrophobicContact CE2-CD1 3.36Å; Y237-I471 HydrophobicContact CE2-CD1 3.98Å; Y237-E474 PolarHBondContact OH-OE2 3.22Å |
| 238 | N | 96.9 | Very high | 96.7 | Very high | 65 Ų | 65 | 66.4 Ų | 66.4 | 35% | 0.348 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 178.6 | -164.6 | -107.6 | 0 | 0 | 0 | 113.3 | L234 K235 L236 Y242 M271 R379 | L234-N238 WeakPolarHBondContact O-CB 3.38Å; L234-N238 PolarHBondContact O-N 3.33Å; K235-N238 PolarHBondContact O-N 3.45Å; K235-N238 VanDerWaalsContact O-N 3.09Å; L236-N238 VanDerWaalsContact C-N 3.33Å; L236-N238 PolarHBondContact O-N 3.22Å; N238-Y242 PolarHBondContact O-N 3.35Å; N238-Y242 VanDerWaalsContact O-N 3.13Å; N238-M271 HydrophobicContact CB-SD 4.49Å; N238-R379 PolarHBondContact OD1-NH2 2.87Å |
| 239 | D | 97.2 | Very high | 96.7 | Very high | 64 Ų | 64 | 67.2 Ų | 67.2 | 34% | 0.342 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.8 | -30.1 | 176.5 | -73.3 | -30.1 | 0 | 0 | 0 | 112 | K235 L236 Y242 R243 R379 | K235-D239 WeakPolarHBondContact CE-OD2 3.45Å; K235-D239 IonicContact NZ-OD2 2.78Å; K235-D239 PolarHBondContact O-N 3.1Å; L236-D239 PolarHBondContact O-N 3.25Å; D239-Y242 PolarHBondContact O-N 2.87Å; D239-R243 PolarHBondContact O-N 2.68Å; D239-R379 IonicContact OD1-CZ 3.25Å; D239-R379 IonicContact OD1-NH1 2.83Å; D239-R379 PolarHBondContact OD1-NH1 3.37Å; D239-R379 IonicContact OD1-NH2 2.72Å; D239-R379 PolarHBondContact OD1-NH2 2.96Å; D239-R379 VanDerWaalsContact OD1-NH2 3.08Å |
| 240 | E | 97.7 | Very high | 96.7 | Very high | 61 Ų | 61 | 65.7 Ų | 65.7 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.5 | -39.5 | 172.3 | 179.7 | 57.5 | -165.9 | 0 | 0 | 113 | L236 Y237 Y242 R243 L244 L267 | L236-E240 WeakPolarHBondContact O-CB 3.35Å; L236-E240 PolarHBondContact O-N 3.37Å; Y237-E240 PolarHBondContact O-N 3.27Å; E240-Y242 PolarHBondContact O-N 3.45Å; E240-R243 WeakPolarHBondContact O-CA 3.27Å; E240-R243 WeakPolarHBondContact O-CB 3.41Å; E240-R243 PolarHBondContact O-N 3.1Å; E240-R243 IonicContact OE1-CZ 3.85Å; E240-R243 IonicContact OE1-NE 2.63Å; E240-R243 PolarHBondContact OE1-NE 3.37Å; E240-R243 IonicContact OE1-NH2 2.64Å; E240-R243 PolarHBondContact OE1-NH2 2.89Å; E240-R243 WeakPolarHBondContact OE2-CD 3.23Å; E240-R243 IonicContact OE2-CZ 3.57Å; E240-R243 IonicContact OE2-NE 2.8Å; E240-R243 PolarHBondContact OE2-NE 3.44Å; E240-L244 HydrophobicContact CG-CD1 4.39Å; E240-L244 WeakPolarHBondContact O-CG 3.31Å; E240-L244 PolarHBondContact O-N 2.85Å; E240-L267 HydrophobicContact CB-CD2 4.02Å; E240-L267 HydrophobicContact CG-CD2 3.55Å |
| 241 | I | 97.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.036 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.7 | -42.3 | 167.9 | -74.4 | 162.6 | 0 | 0 | 0 | 109.9 | Y237 R243 L244 Q245 E264 L267 K268 M271 | Y237-I241 WeakPolarHBondContact O-CB 3.48Å; Y237-I241 WeakPolarHBondContact O-CD1 3.42Å; Y237-I241 WeakPolarHBondContact O-CG1 3.38Å; Y237-I241 PolarHBondContact O-N 3.39Å; I241-R243 VanDerWaalsContact C-N 3.33Å; I241-R243 PolarHBondContact O-N 3.42Å; I241-L244 PolarHBondContact O-N 2.93Å; I241-Q245 HydrophobicContact CG2-CG 4.48Å; I241-Q245 WeakPolarHBondContact O-CB 3.17Å; I241-Q245 VanDerWaalsContact O-CG 3.24Å; I241-Q245 WeakPolarHBondContact O-CG 3.27Å; I241-Q245 PolarHBondContact O-N 3.28Å; I241-E264 HydrophobicContact CG2-CG 3.99Å; I241-L267 HydrophobicContact CD1-CB 4.08Å; I241-L267 HydrophobicContact CG1-CB 3.74Å; I241-L267 HydrophobicContact CG1-CD2 4.28Å; I241-K268 HydrophobicContact CD1-CG 3.91Å; I241-K268 HydrophobicContact CG1-CG 4.48Å; I241-M271 HydrophobicContact CD1-CB 4.43Å; I241-M271 HydrophobicContact CD1-CE 4.31Å; I241-M271 HydrophobicContact CD1-SD 3.78Å |
| 242 | Y | 97.3 | Very high | 96.8 | Very high | 69 Ų | 69 | 73.9 Ų | 73.9 | 27% | 0.271 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.7 | -31.1 | 175.7 | 178.5 | -122.9 | 0 | 0 | 0 | 113.1 | N238 D239 E240 Q246 R379 L380 | N238-Y242 PolarHBondContact O-N 3.35Å; N238-Y242 VanDerWaalsContact O-N 3.13Å; D239-Y242 PolarHBondContact O-N 2.87Å; E240-Y242 PolarHBondContact O-N 3.45Å; Y242-Q246 VanDerWaalsContact CE1-NE2 3.3Å; Y242-Q246 HydrophobicContact CE2-CG 4.27Å; Y242-Q246 VanDerWaalsContact CZ-NE2 3.32Å; Y242-Q246 PolarHBondContact O-NE2 2.65Å; Y242-R379 HydrophobicContact CD2-CB 3.99Å; Y242-R379 HydrophobicContact CD2-CG 4.21Å; Y242-R379 HydrophobicContact CE2-CB 3.75Å; Y242-R379 HydrophobicContact CE2-CG 4.38Å; Y242-L380 HydrophobicContact CE2-CD2 4.04Å |
| 243 | R | 98 | Very high | 96.7 | Very high | 120 Ų | 120 | 72.5 Ų | 72.5 | 45% | 0.453 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.7 | -46.7 | 171.1 | -169.2 | -162.8 | 66.9 | 75.9 | -2.3 | 111.3 | D239 E240 I241 Q245 Q246 A247 | D239-R243 PolarHBondContact O-N 2.68Å; E240-R243 WeakPolarHBondContact O-CA 3.27Å; E240-R243 WeakPolarHBondContact O-CB 3.41Å; E240-R243 PolarHBondContact O-N 3.1Å; E240-R243 IonicContact OE1-CZ 3.85Å; E240-R243 IonicContact OE1-NE 2.63Å; E240-R243 PolarHBondContact OE1-NE 3.37Å; E240-R243 IonicContact OE1-NH2 2.64Å; E240-R243 PolarHBondContact OE1-NH2 2.89Å; E240-R243 WeakPolarHBondContact OE2-CD 3.23Å; E240-R243 IonicContact OE2-CZ 3.57Å; E240-R243 IonicContact OE2-NE 2.8Å; E240-R243 PolarHBondContact OE2-NE 3.44Å; I241-R243 VanDerWaalsContact C-N 3.33Å; I241-R243 PolarHBondContact O-N 3.42Å; R243-Q245 VanDerWaalsContact C-N 3.34Å; R243-Q245 PolarHBondContact O-N 2.71Å; R243-Q246 PolarHBondContact O-N 2.84Å; R243-Q246 VanDerWaalsContact O-N 3.12Å; R243-A247 PolarHBondContact O-N 3.4Å |
| 244 | L | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 178.9 | -70.4 | 165.5 | 0 | 0 | 0 | 111.7 | E240 I241 Q246 A247 T260 Q263 E264 L267 | E240-L244 HydrophobicContact CG-CD1 4.39Å; E240-L244 WeakPolarHBondContact O-CG 3.31Å; E240-L244 PolarHBondContact O-N 2.85Å; I241-L244 PolarHBondContact O-N 2.93Å; L244-Q246 PolarHBondContact O-N 2.83Å; L244-Q246 VanDerWaalsContact O-N 3.13Å; L244-A247 WeakPolarHBondContact O-CB 3.36Å; L244-A247 PolarHBondContact O-N 3.36Å; L244-T260 HydrophobicContact CD2-CG2 4.03Å; L244-Q263 HydrophobicContact CD1-CB 4.01Å; L244-Q263 HydrophobicContact CD2-CB 4.1Å; L244-E264 HydrophobicContact CB-CB 4.15Å; L244-E264 HydrophobicContact CB-CG 4.32Å; L244-E264 HydrophobicContact CD1-CB 4.39Å; L244-L267 HydrophobicContact CD1-CD1 4.37Å; L244-L267 HydrophobicContact CD1-CD2 4.18Å |
| 245 | Q | 96.9 | Very high | 96.5 | Very high | 43 Ų | 43 | 84.6 Ų | 84.6 | 20% | 0.201 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17.1 | 174.3 | -75.6 | 173.5 | -3.6 | 0 | 0 | 115.1 | I241 R243 E264 S378 L380 | I241-Q245 HydrophobicContact CG2-CG 4.48Å; I241-Q245 WeakPolarHBondContact O-CB 3.17Å; I241-Q245 VanDerWaalsContact O-CG 3.24Å; I241-Q245 WeakPolarHBondContact O-CG 3.27Å; I241-Q245 PolarHBondContact O-N 3.28Å; R243-Q245 VanDerWaalsContact C-N 3.34Å; R243-Q245 PolarHBondContact O-N 2.71Å; Q245-E264 HydrophobicContact CG-CG 4.21Å; Q245-E264 WeakPolarHBondContact CG-OE1 3.32Å; Q245-E264 PolarHBondContact NE2-OE1 3.32Å; Q245-S378 PolarHBondContact OE1-OG 3.26Å; Q245-L380 VanDerWaalsContact O-CD1 3.31Å; Q245-L380 WeakPolarHBondContact O-CD1 3.49Å |
| 246 | Q | 96.7 | Very high | 96.4 | Very high | 101 Ų | 101 | 80.2 Ų | 80.2 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -3.7 | 176.8 | -73 | 169.5 | 100.7 | 0 | 0 | 112.9 | Y242 R243 L244 L380 | Y242-Q246 VanDerWaalsContact CE1-NE2 3.3Å; Y242-Q246 HydrophobicContact CE2-CG 4.27Å; Y242-Q246 VanDerWaalsContact CZ-NE2 3.32Å; Y242-Q246 PolarHBondContact O-NE2 2.65Å; R243-Q246 PolarHBondContact O-N 2.84Å; R243-Q246 VanDerWaalsContact O-N 3.12Å; L244-Q246 PolarHBondContact O-N 2.83Å; L244-Q246 VanDerWaalsContact O-N 3.13Å; Q246-L380 HydrophobicContact CG-CD1 4.27Å; Q246-L380 HydrophobicContact CG-CD2 4.04Å |
| 247 | A | 96.7 | Very high | 96.3 | Very high | 33 Ų | 33 | 83.7 Ų | 83.7 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 128.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R243 L244 T260 | R243-A247 PolarHBondContact O-N 3.4Å; L244-A247 WeakPolarHBondContact O-CB 3.36Å; L244-A247 PolarHBondContact O-N 3.36Å; A247-T260 HydrophobicContact CB-CG2 3.96Å |
| 248 | E | 96.1 | Very high | 96.1 | Very high | 192 Ų | 192 | 87.7 Ų | 87.7 | 90% | 0.897 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 136 | 167.3 | -62.1 | -179 | 179.4 | 0 | 0 | 108.9 | ||
| 249 | L | 96 | Very high | 96 | Very high | 68 Ų | 68 | 85.2 Ų | 85.2 | 36% | 0.356 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 132.1 | 173.9 | -72.6 | 76.4 | 0 | 0 | 0 | 109.3 | D253 M254 T260 | L249-D253 HydrophobicContact CB-CB 4.23Å; L249-D253 HydrophobicContact CG-CB 4.46Å; L249-M254 HydrophobicContact CB-CG 4.18Å; L249-M254 HydrophobicContact CD2-CG 4.15Å; L249-T260 VanDerWaalsContact CD1-OG1 3.27Å; L249-T260 WeakPolarHBondContact CD1-OG1 3.41Å; L249-T260 WeakPolarHBondContact CG-OG1 3.38Å |
| 250 | S | 96.7 | Very high | 96 | Very high | 52 Ų | 52 | 83.7 Ų | 83.7 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | trans | -78.4 | 174.1 | 162.6 | 75.7 | 0 | 0 | 0 | 0 | 111.2 | D252 D253 M254 | S250-D252 VanDerWaalsContact C-N 3.32Å; S250-D252 PolarHBondContact OG-N 2.8Å; S250-D253 WeakPolarHBondContact CA-OD2 3.48Å; S250-D253 WeakPolarHBondContact CB-OD2 3.27Å; S250-D253 PolarHBondContact N-OD2 3.03Å; S250-D253 PolarHBondContact O-N 2.89Å; S250-D253 VanDerWaalsContact OG-CG 3.23Å; S250-D253 PolarHBondContact OG-N 2.83Å; S250-D253 PolarHBondContact OG-OD2 3.43Å; S250-M254 WeakPolarHBondContact O-CG 3.44Å; S250-M254 PolarHBondContact O-N 3.35Å | ||
| 251 | L | 96.1 | Very high | 95.9 | Very high | 132 Ų | 132 | 88 Ų | 88 | 69% | 0.691 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.4 | -38.6 | 175 | -62.9 | 177.2 | 0 | 0 | 0 | 111.4 | D253 M254 E255 | L251-D253 VanDerWaalsContact C-N 3.32Å; L251-D253 PolarHBondContact O-N 2.86Å; L251-M254 HydrophobicContact CD2-SD 4.33Å; L251-M254 WeakPolarHBondContact O-CB 3.3Å; L251-M254 PolarHBondContact O-N 2.86Å; L251-M254 VanDerWaalsContact O-N 3.09Å; L251-E255 PolarHBondContact O-N 3.07Å |
| 252 | D | 95.7 | Very high | 95.9 | Very high | 131 Ų | 131 | 90.3 Ų | 90.3 | 70% | 0.701 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.8 | -39 | 176.5 | -52.9 | 5.9 | 0 | 0 | 0 | 110.4 | S250 M254 E255 | S250-D252 VanDerWaalsContact C-N 3.32Å; S250-D252 PolarHBondContact OG-N 2.8Å; D252-M254 VanDerWaalsContact C-N 3.31Å; D252-M254 PolarHBondContact O-N 3.39Å; D252-E255 PolarHBondContact O-N 2.92Å |
| 253 | D | 95 | Very high | 95.8 | Very high | 74 Ų | 74 | 90.2 Ų | 90.2 | 40% | 0.396 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.9 | -28.4 | 173.3 | -57 | -61.7 | 0 | 0 | 0 | 112.5 | L249 S250 L251 E255 A256 S259 | L249-D253 HydrophobicContact CB-CB 4.23Å; L249-D253 HydrophobicContact CG-CB 4.46Å; S250-D253 WeakPolarHBondContact CA-OD2 3.48Å; S250-D253 WeakPolarHBondContact CB-OD2 3.27Å; S250-D253 PolarHBondContact N-OD2 3.03Å; S250-D253 PolarHBondContact O-N 2.89Å; S250-D253 VanDerWaalsContact OG-CG 3.23Å; S250-D253 PolarHBondContact OG-N 2.83Å; S250-D253 PolarHBondContact OG-OD2 3.43Å; L251-D253 VanDerWaalsContact C-N 3.32Å; L251-D253 PolarHBondContact O-N 2.86Å; D253-E255 VanDerWaalsContact C-N 3.29Å; D253-A256 PolarHBondContact O-N 3.27Å; D253-S259 WeakPolarHBondContact O-CB 3.34Å |
| 254 | M | 93.9 | Very high | 95.7 | Very high | 129 Ų | 129 | 85.4 Ų | 85.4 | 64% | 0.635 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -73.1 | -20.2 | 176 | -73.2 | 179.6 | 62.2 | 0 | 0 | 113.1 | L249 S250 L251 D252 | L249-M254 HydrophobicContact CB-CG 4.18Å; L249-M254 HydrophobicContact CD2-CG 4.15Å; S250-M254 WeakPolarHBondContact O-CG 3.44Å; S250-M254 PolarHBondContact O-N 3.35Å; L251-M254 HydrophobicContact CD2-SD 4.33Å; L251-M254 WeakPolarHBondContact O-CB 3.3Å; L251-M254 PolarHBondContact O-N 2.86Å; L251-M254 VanDerWaalsContact O-N 3.09Å; D252-M254 VanDerWaalsContact C-N 3.31Å; D252-M254 PolarHBondContact O-N 3.39Å |
| 255 | E | 93.8 | Very high | 95.7 | Very high | 177 Ų | 177 | 89.2 Ų | 89.2 | 83% | 0.827 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -9.5 | 173.5 | -65.2 | -174.4 | -177.7 | 0 | 0 | 112.6 | L251 D252 D253 | L251-E255 PolarHBondContact O-N 3.07Å; D252-E255 PolarHBondContact O-N 2.92Å; D253-E255 VanDerWaalsContact C-N 3.29Å |
| 256 | A | 95.4 | Very high | 95.6 | Very high | 32 Ų | 32 | 91.7 Ų | 91.7 | 26% | 0.264 | 46% | 0.46 | S | S | . | . | trans | -81.4 | 130.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | D253 D258 S259 | D253-A256 PolarHBondContact O-N 3.27Å; A256-D258 PolarHBondContact O-N 3.17Å; A256-S259 VanDerWaalsContact O-CB 3.32Å; A256-S259 WeakPolarHBondContact O-CB 3.33Å; A256-S259 PolarHBondContact O-N 3.31Å; A256-S259 VanDerWaalsContact O-N 3.16Å; A256-S259 PolarHBondContact O-OG 2.8Å | ||
| 257 | E | 93.6 | Very high | 95.6 | Very high | 181 Ų | 181 | 88.6 Ų | 88.6 | 85% | 0.846 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.6 | 178.4 | -62.2 | -179.4 | -172.7 | 0 | 0 | 113.8 | I262 | E257-I262 WeakPolarHBondContact O-CG2 3.49Š|
| 258 | D | 93.2 | Very high | 95.6 | Very high | 107 Ų | 107 | 91 Ų | 91 | 57% | 0.572 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 21.8 | 178.4 | 72.7 | -35.3 | 0 | 0 | 0 | 113 | A256 Q263 | A256-D258 PolarHBondContact O-N 3.17Å; D258-Q263 WeakPolarHBondContact O-CG 3.49Å; D258-Q263 PolarHBondContact O-NE2 3.02Å |
| 259 | S | 95.8 | Very high | 95.5 | Very high | 13 Ų | 13 | 86 Ų | 86 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | trans | -52.1 | 155.2 | 176.8 | 68.2 | 0 | 0 | 0 | 0 | 113.6 | D253 A256 Y261 I262 Q263 | D253-S259 WeakPolarHBondContact O-CB 3.34Å; A256-S259 VanDerWaalsContact O-CB 3.32Å; A256-S259 WeakPolarHBondContact O-CB 3.33Å; A256-S259 PolarHBondContact O-N 3.31Å; A256-S259 VanDerWaalsContact O-N 3.16Å; A256-S259 PolarHBondContact O-OG 2.8Å; S259-Y261 PolarHBondContact O-N 3.16Å; S259-Y261 VanDerWaalsContact O-N 3.07Å; S259-I262 WeakPolarHBondContact O-CA 3.27Å; S259-I262 PolarHBondContact O-N 3.13Å; S259-I262 WeakPolarHBondContact OG-CG1 3.39Å; S259-Q263 PolarHBondContact O-N 3.16Å | ||
| 260 | T | 96.5 | Very high | 95.5 | Very high | 32 Ų | 32 | 84.1 Ų | 84.1 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.3 | -30 | -177.3 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | L244 A247 L249 E264 | L244-T260 HydrophobicContact CD2-CG2 4.03Å; A247-T260 HydrophobicContact CB-CG2 3.96Å; L249-T260 VanDerWaalsContact CD1-OG1 3.27Å; L249-T260 WeakPolarHBondContact CD1-OG1 3.41Å; L249-T260 WeakPolarHBondContact CG-OG1 3.38Å; T260-E264 WeakPolarHBondContact O-CB 3.41Å; T260-E264 PolarHBondContact O-N 3.08Å |
| 261 | Y | 96.4 | Very high | 95.4 | Very high | 152 Ų | 152 | 83.3 Ų | 83.3 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.6 | -42.3 | 172.8 | 179.2 | -103.3 | 0 | 0 | 0 | 112.8 | S259 E264 H265 | S259-Y261 PolarHBondContact O-N 3.16Å; S259-Y261 VanDerWaalsContact O-N 3.07Å; Y261-E264 WeakPolarHBondContact O-CB 3.43Å; Y261-E264 PolarHBondContact O-N 3.01Å; Y261-H265 PolarHBondContact O-N 3.32Å |
| 262 | I | 96.6 | Very high | 95.4 | Very high | 55 Ų | 55 | 80.9 Ų | 80.9 | 28% | 0.282 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.3 | -35 | 175.4 | -59.8 | -62 | 0 | 0 | 0 | 111 | E257 S259 H265 K266 | E257-I262 WeakPolarHBondContact O-CG2 3.49Å; S259-I262 WeakPolarHBondContact O-CA 3.27Å; S259-I262 PolarHBondContact O-N 3.13Å; S259-I262 WeakPolarHBondContact OG-CG1 3.39Å; I262-H265 PolarHBondContact O-N 2.97Å; I262-K266 HydrophobicContact CG2-CD 4.17Å; I262-K266 WeakPolarHBondContact O-CG 3.35Å; I262-K266 PolarHBondContact O-N 3.36Å |
| 263 | Q | 95.8 | Very high | 95.3 | Very high | 66 Ų | 66 | 77.5 Ų | 77.5 | 31% | 0.308 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 169.1 | -64.6 | 178.3 | 26 | 0 | 0 | 111 | L244 D258 S259 H265 K266 L267 | L244-Q263 HydrophobicContact CD1-CB 4.01Å; L244-Q263 HydrophobicContact CD2-CB 4.1Å; D258-Q263 WeakPolarHBondContact O-CG 3.49Å; D258-Q263 PolarHBondContact O-NE2 3.02Å; S259-Q263 PolarHBondContact O-N 3.16Å; Q263-H265 VanDerWaalsContact C-N 3.28Å; Q263-H265 PolarHBondContact O-N 3.02Å; Q263-K266 PolarHBondContact O-N 2.93Å; Q263-L267 WeakPolarHBondContact O-CD1 3.42Å; Q263-L267 PolarHBondContact O-N 3.18Å |
| 264 | E | 96.3 | Very high | 95.3 | Very high | 20 Ų | 20 | 74 Ų | 74 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.2 | -41.8 | 177.6 | -163.9 | -158.5 | 151.3 | 0 | 0 | 111.4 | I241 L244 Q245 T260 Y261 K268 | I241-E264 HydrophobicContact CG2-CG 3.99Å; L244-E264 HydrophobicContact CB-CB 4.15Å; L244-E264 HydrophobicContact CB-CG 4.32Å; L244-E264 HydrophobicContact CD1-CB 4.39Å; Q245-E264 HydrophobicContact CG-CG 4.21Å; Q245-E264 WeakPolarHBondContact CG-OE1 3.32Å; Q245-E264 PolarHBondContact NE2-OE1 3.32Å; T260-E264 WeakPolarHBondContact O-CB 3.41Å; T260-E264 PolarHBondContact O-N 3.08Å; Y261-E264 WeakPolarHBondContact O-CB 3.43Å; Y261-E264 PolarHBondContact O-N 3.01Å; E264-K268 VanDerWaalsContact O-CG 3.31Å; E264-K268 WeakPolarHBondContact O-CG 3.2Å; E264-K268 PolarHBondContact O-N 3.13Å; E264-K268 WeakPolarHBondContact OE1-CE 2.97Å; E264-K268 IonicContact OE1-NZ 3.13Å; E264-K268 PolarHBondContact OE1-NZ 3.21Å |
| 265 | H | 96 | Very high | 95.4 | Very high | 84 Ų | 84 | 70.8 Ų | 70.8 | 39% | 0.389 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -50.5 | 174.5 | 179.1 | -125.5 | 0 | 0 | 0 | 112.1 | Y261 I262 Q263 L267 K268 R269 | Y261-H265 PolarHBondContact O-N 3.32Å; I262-H265 PolarHBondContact O-N 2.97Å; Q263-H265 VanDerWaalsContact C-N 3.28Å; Q263-H265 PolarHBondContact O-N 3.02Å; H265-L267 PolarHBondContact O-N 3.04Å; H265-K268 WeakPolarHBondContact O-CB 3.45Å; H265-K268 PolarHBondContact O-N 3.25Å; H265-R269 PolarHBondContact CE1-NH1 3.16Å; H265-R269 WeakPolarHBondContact O-CG 3.44Å; H265-R269 PolarHBondContact O-N 3.21Å; H265-R269 VanDerWaalsContact O-N 3.11Å |
| 266 | K | 95.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 66.9 Ų | 66.9 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 178.1 | -73.4 | 169.4 | 178.8 | 171.5 | 0 | 111.6 | I262 Q263 K268 R269 K270 | I262-K266 HydrophobicContact CG2-CD 4.17Å; I262-K266 WeakPolarHBondContact O-CG 3.35Å; I262-K266 PolarHBondContact O-N 3.36Å; Q263-K266 PolarHBondContact O-N 2.93Å; K266-K268 PolarHBondContact O-N 3.08Å; K266-R269 PolarHBondContact O-N 2.85Å; K266-K270 PolarHBondContact O-N 3.16Å; K266-K270 VanDerWaalsContact O-N 3.12Å |
| 267 | L | 96.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 68.5 Ų | 68.5 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 176.7 | -89.1 | 78.6 | 0 | 0 | 0 | 112.5 | E240 I241 L244 Q263 H265 R269 K270 M271 | E240-L267 HydrophobicContact CB-CD2 4.02Å; E240-L267 HydrophobicContact CG-CD2 3.55Å; I241-L267 HydrophobicContact CD1-CB 4.08Å; I241-L267 HydrophobicContact CG1-CB 3.74Å; I241-L267 HydrophobicContact CG1-CD2 4.28Å; L244-L267 HydrophobicContact CD1-CD1 4.37Å; L244-L267 HydrophobicContact CD1-CD2 4.18Å; Q263-L267 WeakPolarHBondContact O-CD1 3.42Å; Q263-L267 PolarHBondContact O-N 3.18Å; H265-L267 PolarHBondContact O-N 3.04Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 2.93Å; L267-K270 PolarHBondContact O-N 3.45Å; L267-M271 VanDerWaalsContact O-CB 3.29Å; L267-M271 WeakPolarHBondContact O-CB 3.47Å; L267-M271 PolarHBondContact O-N 3.1Å |
| 268 | K | 95.9 | Very high | 95.6 | Very high | 82 Ų | 82 | 60.1 Ų | 60.1 | 36% | 0.357 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 174 | -77.7 | 171.9 | -175.7 | 168.1 | 0 | 112.2 | I241 E264 H265 K266 M271 M272 | I241-K268 HydrophobicContact CD1-CG 3.91Å; I241-K268 HydrophobicContact CG1-CG 4.48Å; E264-K268 VanDerWaalsContact O-CG 3.31Å; E264-K268 WeakPolarHBondContact O-CG 3.2Å; E264-K268 PolarHBondContact O-N 3.13Å; E264-K268 WeakPolarHBondContact OE1-CE 2.97Å; E264-K268 IonicContact OE1-NZ 3.13Å; E264-K268 PolarHBondContact OE1-NZ 3.21Å; H265-K268 WeakPolarHBondContact O-CB 3.45Å; H265-K268 PolarHBondContact O-N 3.25Å; K266-K268 PolarHBondContact O-N 3.08Å; K268-M271 PolarHBondContact O-N 2.97Å; K268-M272 WeakPolarHBondContact O-CG 3.34Å; K268-M272 PolarHBondContact O-N 3.05Å; K268-M272 VanDerWaalsContact O-N 3.13Å |
| 269 | R | 95.6 | Very high | 95.8 | Very high | 89 Ų | 89 | 55.7 Ų | 55.7 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 176.6 | -57.8 | -151.9 | -65.2 | -159.2 | 13.4 | 111.5 | H265 K266 L267 M271 M272 K273 D464 | H265-R269 PolarHBondContact CE1-NH1 3.16Å; H265-R269 WeakPolarHBondContact O-CG 3.44Å; H265-R269 PolarHBondContact O-N 3.21Å; H265-R269 VanDerWaalsContact O-N 3.11Å; K266-R269 PolarHBondContact O-N 2.85Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 2.93Å; R269-M271 VanDerWaalsContact C-N 3.33Å; R269-M271 PolarHBondContact O-N 3.36Å; R269-M272 PolarHBondContact O-N 3.21Å; R269-K273 PolarHBondContact O-N 2.94Å; R269-D464 IonicContact CZ-OD2 3.3Å; R269-D464 IonicContact NH1-OD2 2.86Å; R269-D464 PolarHBondContact NH1-OD2 2.72Å; R269-D464 IonicContact NH2-OD1 2.89Å; R269-D464 IonicContact NH2-OD2 2.61Å; R269-D464 PolarHBondContact NH2-OD2 2.83Å |
| 270 | K | 94.8 | Very high | 95.8 | Very high | 27 Ų | 27 | 61 Ų | 61 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 174.1 | -66.6 | -170.1 | 171.5 | 175.2 | 0 | 112.5 | Y237 K266 L267 M272 K273 I274 D468 D470 I471 | Y237-K270 HydrophobicContact CD2-CB 4.29Å; Y237-K270 HydrophobicContact CE2-CB 3.64Å; K266-K270 PolarHBondContact O-N 3.16Å; K266-K270 VanDerWaalsContact O-N 3.12Å; L267-K270 PolarHBondContact O-N 3.45Å; K270-M272 VanDerWaalsContact C-N 3.32Å; K270-M272 PolarHBondContact O-N 2.64Å; K270-K273 PolarHBondContact O-N 2.95Å; K270-I274 WeakPolarHBondContact O-CG1 3.42Å; K270-I274 PolarHBondContact O-N 3.32Å; K270-I274 VanDerWaalsContact O-N 3.1Å; K270-D468 VanDerWaalsContact CE-CG 3.47Å; K270-D468 WeakPolarHBondContact CE-OD2 3.37Å; K270-D468 IonicContact NZ-OD1 2.7Å; K270-D468 IonicContact NZ-OD2 3.05Å; K270-D468 PolarHBondContact NZ-OD2 3.36Å; K270-D470 IonicContact NZ-OD2 3.91Å; K270-D470 PolarHBondContact NZ-OD2 3.42Å; K270-I471 HydrophobicContact CB-CB 4.48Å; K270-I471 HydrophobicContact CB-CD1 3.94Å; K270-I471 HydrophobicContact CB-CG1 3.93Å; K270-I471 HydrophobicContact CD-CB 4.04Å; K270-I471 HydrophobicContact CD-CD1 4.22Å; K270-I471 HydrophobicContact CD-CG1 4.3Å; K270-I471 HydrophobicContact CG-CB 3.98Å; K270-I471 HydrophobicContact CG-CD1 4.26Å; K270-I471 HydrophobicContact CG-CG1 3.99Å; K270-I471 HydrophobicContact CG-CG2 4.47Å |
| 271 | M | 95.6 | Very high | 95.7 | Very high | 36 Ų | 36 | 61.3 Ų | 61.3 | 18% | 0.177 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 176.6 | -172.1 | -173.8 | 68.9 | 0 | 0 | 112.6 | L234 Y237 N238 I241 L267 K268 R269 Y275 | L234-M271 HydrophobicContact CD1-CB 4.5Å; L234-M271 HydrophobicContact CD1-CG 3.51Å; L234-M271 VanDerWaalsContact CD1-O 3.24Å; L234-M271 WeakPolarHBondContact CD1-O 3.37Å; L234-M271 HydrophobicContact CG-CG 4.31Å; Y237-M271 HydrophobicContact CD2-CB 4.38Å; N238-M271 HydrophobicContact CB-SD 4.49Å; I241-M271 HydrophobicContact CD1-CB 4.43Å; I241-M271 HydrophobicContact CD1-CE 4.31Å; I241-M271 HydrophobicContact CD1-SD 3.78Å; L267-M271 VanDerWaalsContact O-CB 3.29Å; L267-M271 WeakPolarHBondContact O-CB 3.47Å; L267-M271 PolarHBondContact O-N 3.1Å; K268-M271 PolarHBondContact O-N 2.97Å; R269-M271 VanDerWaalsContact C-N 3.33Å; R269-M271 PolarHBondContact O-N 3.36Å; M271-Y275 PolarHBondContact O-N 3.48Å |
| 272 | M | 95 | Very high | 95.6 | Very high | 80 Ų | 80 | 58.6 Ų | 58.6 | 39% | 0.394 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 176.5 | -66.9 | -56.1 | -63.9 | 0 | 0 | 112.5 | K268 R269 K270 I274 Y275 E276 | K268-M272 WeakPolarHBondContact O-CG 3.34Å; K268-M272 PolarHBondContact O-N 3.05Å; K268-M272 VanDerWaalsContact O-N 3.13Å; R269-M272 PolarHBondContact O-N 3.21Å; K270-M272 VanDerWaalsContact C-N 3.32Å; K270-M272 PolarHBondContact O-N 2.64Å; M272-I274 VanDerWaalsContact C-N 3.29Å; M272-I274 PolarHBondContact O-N 2.78Å; M272-Y275 HydrophobicContact CE-CD1 4.07Å; M272-Y275 WeakPolarHBondContact O-CB 3.45Å; M272-Y275 PolarHBondContact O-N 3.47Å; M272-E276 WeakPolarHBondContact O-CG 3.4Å; M272-E276 PolarHBondContact O-N 3.01Å |
| 273 | K | 95.2 | Very high | 95.5 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 26% | 0.261 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.3 | -41.9 | 172.4 | -74.7 | -172.7 | 166.6 | -170.8 | 0 | 111.8 | R269 K270 E276 K277 S466 I471 E472 | R269-K273 PolarHBondContact O-N 2.94Å; K270-K273 PolarHBondContact O-N 2.95Å; K273-E276 PolarHBondContact O-N 2.76Å; K273-K277 PolarHBondContact O-N 3.49Å; K273-S466 PolarHBondContact NZ-O 3.01Å; K273-I471 HydrophobicContact CD-CG2 3.72Å; K273-E472 IonicContact NZ-OE1 3.32Å; K273-E472 PolarHBondContact NZ-OE1 3.33Å |
| 274 | I | 94.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 173.9 | -64.2 | 166.3 | 0 | 0 | 0 | 111.7 | L230 L233 L234 Y237 K270 M272 E276 K277 L278 I471 | L230-I274 HydrophobicContact CB-CG2 4.17Å; L230-I274 HydrophobicContact CD2-CG2 4.32Å; L233-I274 HydrophobicContact CD2-CD1 3.65Å; L233-I274 HydrophobicContact CD2-CG1 4.42Å; L233-I274 HydrophobicContact CG-CD1 3.74Å; L234-I274 HydrophobicContact CB-CG2 4.06Å; L234-I274 HydrophobicContact CD1-CB 4Å; L234-I274 HydrophobicContact CD1-CG2 3.86Å; Y237-I274 HydrophobicContact CD2-CD1 3.61Å; Y237-I274 HydrophobicContact CE2-CD1 3.36Å; K270-I274 WeakPolarHBondContact O-CG1 3.42Å; K270-I274 PolarHBondContact O-N 3.32Å; K270-I274 VanDerWaalsContact O-N 3.1Å; M272-I274 VanDerWaalsContact C-N 3.29Å; M272-I274 PolarHBondContact O-N 2.78Å; I274-E276 PolarHBondContact O-N 2.9Å; I274-K277 PolarHBondContact O-N 3.12Å; I274-L278 HydrophobicContact CG2-CD1 3.98Å; I274-L278 HydrophobicContact CG2-CG 4.4Å; I274-L278 WeakPolarHBondContact O-CB 3.46Å; I274-L278 WeakPolarHBondContact O-CG 3.28Å; I274-L278 PolarHBondContact O-N 3.19Å; I274-I471 HydrophobicContact CD1-CD1 3.99Å; I274-I471 HydrophobicContact CG1-CD1 4.07Å |
| 275 | Y | 96 | Very high | 95.3 | Very high | 63 Ų | 63 | 63 Ų | 63 | 25% | 0.247 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 178.2 | 169.6 | -98.8 | 0 | 0 | 0 | 112.2 | M271 M272 L278 C279 L287 T288 | M271-Y275 PolarHBondContact O-N 3.48Å; M272-Y275 HydrophobicContact CE-CD1 4.07Å; M272-Y275 WeakPolarHBondContact O-CB 3.45Å; M272-Y275 PolarHBondContact O-N 3.47Å; Y275-L278 PolarHBondContact O-N 3.48Å; Y275-C279 PolarHBondContact O-N 3.17Å; Y275-C279 PolarHBondContact O-SG 3.45Å; Y275-L287 PolarHBondContact OH-O 3.05Å; Y275-T288 HydrophobicContact CE1-CG2 4.08Å |
| 276 | E | 95.6 | Very high | 95.2 | Very high | 95 Ų | 95 | 62.3 Ų | 62.3 | 44% | 0.444 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 175.2 | -72.4 | 165.5 | 176.2 | 0 | 0 | 111 | M272 K273 I274 L278 C279 E280 | M272-E276 WeakPolarHBondContact O-CG 3.4Å; M272-E276 PolarHBondContact O-N 3.01Å; K273-E276 PolarHBondContact O-N 2.76Å; I274-E276 PolarHBondContact O-N 2.9Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-L278 PolarHBondContact O-N 3.26Å; E276-C279 WeakPolarHBondContact O-CA 3.41Å; E276-C279 WeakPolarHBondContact O-CB 3.41Å; E276-C279 PolarHBondContact O-N 2.83Å; E276-E280 PolarHBondContact O-N 2.95Å |
| 277 | K | 94.9 | Very high | 95.1 | Very high | 65 Ų | 65 | 63 Ų | 63 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.8 | -40 | 174 | -157.3 | 75.6 | -162.7 | 164 | 0 | 112.8 | L230 K273 I274 C279 E280 L281 I475 | L230-K277 HydrophobicContact CD1-CG 4.29Å; K273-K277 PolarHBondContact O-N 3.49Å; I274-K277 PolarHBondContact O-N 3.12Å; K277-C279 VanDerWaalsContact C-N 3.3Å; K277-C279 PolarHBondContact O-N 2.95Å; K277-E280 WeakPolarHBondContact CD-OE2 3.48Å; K277-E280 VanDerWaalsContact CE-OE2 3.27Å; K277-E280 WeakPolarHBondContact CE-OE2 3.31Å; K277-E280 IonicContact NZ-OE2 3.89Å; K277-E280 PolarHBondContact NZ-OE2 3.33Å; K277-E280 PolarHBondContact O-N 2.87Å; K277-L281 HydrophobicContact CG-CD1 4.28Å; K277-L281 WeakPolarHBondContact O-CB 3.42Å; K277-L281 VanDerWaalsContact O-CG 3.28Å; K277-L281 WeakPolarHBondContact O-CG 3.5Å; K277-L281 PolarHBondContact O-N 2.86Å; K277-I475 HydrophobicContact CD-CG2 3.95Å; K277-I475 HydrophobicContact CG-CG2 4.01Å |
| 278 | L | 95.9 | Very high | 95 | Very high | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.6 | -32.7 | 173.3 | -81.2 | 169.7 | 0 | 0 | 0 | 112.6 | I227 L230 E231 L234 I274 Y275 E276 K282 | I227-L278 HydrophobicContact CG2-CD2 4.09Å; L230-L278 HydrophobicContact CB-CD1 4.28Å; L230-L278 HydrophobicContact CB-CD2 3.7Å; L230-L278 HydrophobicContact CB-CG 3.91Å; L230-L278 HydrophobicContact CD1-CD2 4.49Å; E231-L278 HydrophobicContact CG-CD1 4.23Å; E231-L278 HydrophobicContact CG-CD2 3.98Å; L234-L278 HydrophobicContact CB-CD1 4.46Å; L234-L278 HydrophobicContact CD2-CD1 4.04Å; I274-L278 HydrophobicContact CG2-CD1 3.98Å; I274-L278 HydrophobicContact CG2-CG 4.4Å; I274-L278 WeakPolarHBondContact O-CB 3.46Å; I274-L278 WeakPolarHBondContact O-CG 3.28Å; I274-L278 PolarHBondContact O-N 3.19Å; Y275-L278 PolarHBondContact O-N 3.48Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-L278 PolarHBondContact O-N 3.26Å; L278-K282 VanDerWaalsContact O-CB 3.32Å; L278-K282 WeakPolarHBondContact O-CB 3.39Å; L278-K282 WeakPolarHBondContact O-CD 3.48Å; L278-K282 WeakPolarHBondContact O-CG 3.39Å; L278-K282 PolarHBondContact O-N 3.35Å |
| 279 | C | 96.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 63.6 Ų | 63.6 | 9% | 0.088 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.5 | -44.9 | 173.9 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | Y275 E276 K277 K282 G283 C284 | Y275-C279 PolarHBondContact O-N 3.17Å; Y275-C279 PolarHBondContact O-SG 3.45Å; E276-C279 WeakPolarHBondContact O-CA 3.41Å; E276-C279 WeakPolarHBondContact O-CB 3.41Å; E276-C279 PolarHBondContact O-N 2.83Å; K277-C279 VanDerWaalsContact C-N 3.3Å; K277-C279 PolarHBondContact O-N 2.95Å; C279-K282 PolarHBondContact O-N 3.05Å; C279-G283 PolarHBondContact O-N 3.5Å; C279-C284 HydrophobicContact CB-CB 4.41Å; C279-C284 PolarHBondContact O-N 3.49Å |
| 280 | E | 95.6 | Very high | 94.8 | Very high | 124 Ų | 124 | 64.2 Ų | 64.2 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -55.7 | -55.4 | 173.6 | -67.1 | -174.2 | 156.3 | 0 | 0 | 111.9 | E276 K277 K282 G283 | E276-E280 PolarHBondContact O-N 2.95Å; K277-E280 WeakPolarHBondContact CD-OE2 3.48Å; K277-E280 VanDerWaalsContact CE-OE2 3.27Å; K277-E280 WeakPolarHBondContact CE-OE2 3.31Å; K277-E280 IonicContact NZ-OE2 3.89Å; K277-E280 PolarHBondContact NZ-OE2 3.33Å; K277-E280 PolarHBondContact O-N 2.87Å; E280-K282 PolarHBondContact O-N 2.63Å; E280-K282 VanDerWaalsContact O-N 3.15Å; E280-G283 PolarHBondContact O-N 2.91Å |
| 281 | L | 94.9 | Very high | 94.9 | Very high | 39 Ų | 39 | 63.5 Ų | 63.5 | 20% | 0.204 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.3 | -23.2 | -175.9 | -67.7 | 172.5 | 0 | 0 | 0 | 113.1 | L223 Q226 I227 L230 K277 | L223-L281 HydrophobicContact CD1-CB 4.05Å; L223-L281 HydrophobicContact CD1-CD2 3.72Å; L223-L281 HydrophobicContact CD1-CG 4.38Å; Q226-L281 HydrophobicContact CG-CD1 4.13Å; I227-L281 HydrophobicContact CD1-CB 4.22Å; I227-L281 HydrophobicContact CG1-CB 3.97Å; I227-L281 HydrophobicContact CG1-CD1 4.44Å; L230-L281 HydrophobicContact CD1-CD1 3.54Å; K277-L281 HydrophobicContact CG-CD1 4.28Å; K277-L281 WeakPolarHBondContact O-CB 3.42Å; K277-L281 VanDerWaalsContact O-CG 3.28Å; K277-L281 WeakPolarHBondContact O-CG 3.5Å; K277-L281 PolarHBondContact O-N 2.86Å |
| 282 | K | 95.1 | Very high | 94.7 | Very high | 96 Ų | 96 | 63.5 Ų | 63.5 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -93.4 | -11.5 | 175 | -69 | 172.6 | -177.4 | 173.9 | 0 | 113.8 | I227 E231 L278 C279 E280 C284 | I227-K282 HydrophobicContact CD1-CG 4.05Å; E231-K282 WeakPolarHBondContact OE1-CE 3.25Å; E231-K282 IonicContact OE1-NZ 3.73Å; E231-K282 PolarHBondContact OE1-NZ 3Å; L278-K282 VanDerWaalsContact O-CB 3.32Å; L278-K282 WeakPolarHBondContact O-CB 3.39Å; L278-K282 WeakPolarHBondContact O-CD 3.48Å; L278-K282 WeakPolarHBondContact O-CG 3.39Å; L278-K282 PolarHBondContact O-N 3.35Å; C279-K282 PolarHBondContact O-N 3.05Å; E280-K282 PolarHBondContact O-N 2.63Å; E280-K282 VanDerWaalsContact O-N 3.15Å; K282-C284 HydrophobicContact CB-CB 4.48Å |
| 283 | G | 93.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 62.4 Ų | 62.4 | 76% | 0.763 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 31.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C279 E280 | C279-G283 PolarHBondContact O-N 3.5Å; E280-G283 PolarHBondContact O-N 2.91Å |
| 284 | C | 94.9 | Very high | 94.5 | Very high | 80 Ų | 80 | 65 Ų | 65 | 54% | 0.541 | 37% | 0.366 | S | S | . | . | trans | -101 | 161.8 | -179.9 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | C279 K282 | C279-C284 HydrophobicContact CB-CB 4.41Å; C279-C284 PolarHBondContact O-N 3.49Å; K282-C284 HydrophobicContact CB-CB 4.48Å | ||
| 285 | S | 94.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 71.3 Ų | 71.3 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | trans | -80.3 | 143.2 | 167.7 | -166.5 | 0 | 0 | 0 | 0 | 109.9 | L287 | S285-L287 PolarHBondContact O-N 3.05Š| ||
| 286 | S | 93.8 | Very high | 94.5 | Very high | 69 Ų | 69 | 69 Ų | 69 | 48% | 0.483 | 38% | 0.382 | S | S | . | . | trans | -71.8 | 17.4 | 172.9 | 50.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 287 | L | 93.4 | Very high | 94.5 | Very high | 111 Ų | 111 | 74.2 Ų | 74.2 | 58% | 0.581 | 40% | 0.397 | S | S | * | . | trans | -76.9 | 125.6 | 178.6 | -73.2 | 171.7 | 0 | 0 | 0 | 109.7 | Y275 S285 E293 | Y275-L287 PolarHBondContact OH-O 3.05Å; S285-L287 PolarHBondContact O-N 3.05Å; L287-E293 HydrophobicContact CD2-CB 4.36Å; L287-E293 HydrophobicContact CD2-CG 3.98Å | ||
| 288 | T | 93.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 71.5 Ų | 71.5 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | trans | -88.5 | -12.2 | -173.8 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | Y275 R290 E293 | Y275-T288 HydrophobicContact CE1-CG2 4.08Å; T288-R290 WeakPolarHBondContact OG1-CD 3.35Å; T288-R290 VanDerWaalsContact OG1-CG 3.31Å; T288-R290 WeakPolarHBondContact OG1-CG 3.28Å; T288-E293 WeakPolarHBondContact CA-OE1 3.36Å; T288-E293 PolarHBondContact N-OE1 2.98Å; T288-E293 PolarHBondContact N-OE2 2.78Å; T288-E293 PolarHBondContact OG1-OE1 3.47Å | ||
| 289 | G | 93.8 | Very high | 94.6 | Very high | 57 Ų | 57 | 75 Ų | 75 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | trans | 87.6 | 9.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E293 | G289-E293 WeakPolarHBondContact CA-OE2 3.46Å; G289-E293 PolarHBondContact N-OE1 2.91Å; G289-E293 PolarHBondContact N-OE2 2.69Å | ||
| 290 | R | 94.8 | Very high | 94.5 | Very high | 102 Ų | 102 | 76.3 Ų | 76.3 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | trans | -57.8 | 157.1 | 180 | -87.9 | 176.7 | 72.1 | -175 | 7.1 | 113.1 | T288 I292 E293 D371 | T288-R290 WeakPolarHBondContact OG1-CD 3.35Å; T288-R290 VanDerWaalsContact OG1-CG 3.31Å; T288-R290 WeakPolarHBondContact OG1-CG 3.28Å; R290-I292 VanDerWaalsContact C-N 3.33Å; R290-I292 HydrophobicContact CB-CG1 4.01Å; R290-I292 PolarHBondContact O-N 3.34Å; R290-E293 HydrophobicContact CB-CG 4.08Å; R290-E293 PolarHBondContact N-OE1 3.42Å; R290-E293 WeakPolarHBondContact O-CB 3.38Å; R290-E293 PolarHBondContact O-N 2.83Å; R290-D371 WeakPolarHBondContact CB-OD1 3.47Å; R290-D371 IonicContact CZ-OD2 3.53Å; R290-D371 VanDerWaalsContact CZ-OD2 3.3Å; R290-D371 IonicContact NE-OD1 3.08Å; R290-D371 IonicContact NE-OD2 3.57Å; R290-D371 PolarHBondContact NE-OD2 2.7Å; R290-D371 IonicContact NH2-OD2 2.64Å; R290-D371 PolarHBondContact NH2-OD2 3.05Å | ||
| 291 | V | 95.2 | Very high | 94.5 | Very high | 12 Ų | 12 | 71 Ų | 71 | 7% | 0.073 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -70.2 | -32 | -178.2 | -168.9 | 0 | 0 | 0 | 0 | 110.9 | E293 Q294 R367 L370 D371 Y374 | V291-E293 VanDerWaalsContact C-N 3.27Å; V291-E293 PolarHBondContact O-N 3.31Å; V291-Q294 VanDerWaalsContact O-CB 3.31Å; V291-Q294 WeakPolarHBondContact O-CB 3.44Å; V291-Q294 PolarHBondContact O-N 3.4Å; V291-Q294 VanDerWaalsContact O-N 3.1Å; V291-R367 HydrophobicContact CG1-CG 4.09Å; V291-R367 VanDerWaalsContact O-CD 3.23Å; V291-R367 WeakPolarHBondContact O-CD 3.48Å; V291-R367 WeakPolarHBondContact O-CG 3.44Å; V291-L370 HydrophobicContact CG1-CB 3.9Å; V291-D371 WeakPolarHBondContact CA-OD1 3.43Å; V291-D371 HydrophobicContact CB-CB 3.89Å; V291-D371 WeakPolarHBondContact CB-OD1 3.19Å; V291-D371 PolarHBondContact N-OD1 3.07Å; V291-Y374 HydrophobicContact CG2-CD2 3.5Å; V291-Y374 HydrophobicContact CG2-CE2 4.1Å; V291-Y374 HydrophobicContact CG2-CG 4.43Å |
| 292 | I | 92.6 | Very high | 94.5 | Very high | 36 Ų | 36 | 80.3 Ų | 80.3 | 19% | 0.185 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.9 | 172 | 52.3 | 164 | 0 | 0 | 0 | 113.8 | R290 Q294 R367 D371 | R290-I292 VanDerWaalsContact C-N 3.33Å; R290-I292 HydrophobicContact CB-CG1 4.01Å; R290-I292 PolarHBondContact O-N 3.34Å; I292-Q294 PolarHBondContact O-N 2.85Å; I292-R367 PolarHBondContact O-NE 3.31Å; I292-R367 PolarHBondContact O-NH1 3.1Å; I292-D371 HydrophobicContact CG2-CB 3.86Å; I292-D371 PolarHBondContact N-OD1 2.97Å |
| 293 | E | 92.8 | Very high | 94.5 | Very high | 57 Ų | 57 | 79.5 Ų | 79.5 | 27% | 0.266 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20 | 177.6 | -56.8 | 171.9 | -166.3 | 0 | 0 | 111.8 | L287 T288 G289 R290 V291 R295 | L287-E293 HydrophobicContact CD2-CB 4.36Å; L287-E293 HydrophobicContact CD2-CG 3.98Å; T288-E293 WeakPolarHBondContact CA-OE1 3.36Å; T288-E293 PolarHBondContact N-OE1 2.98Å; T288-E293 PolarHBondContact N-OE2 2.78Å; T288-E293 PolarHBondContact OG1-OE1 3.47Å; G289-E293 WeakPolarHBondContact CA-OE2 3.46Å; G289-E293 PolarHBondContact N-OE1 2.91Å; G289-E293 PolarHBondContact N-OE2 2.69Å; R290-E293 HydrophobicContact CB-CG 4.08Å; R290-E293 PolarHBondContact N-OE1 3.42Å; R290-E293 WeakPolarHBondContact O-CB 3.38Å; R290-E293 PolarHBondContact O-N 2.83Å; V291-E293 VanDerWaalsContact C-N 3.27Å; V291-E293 PolarHBondContact O-N 3.31Å; E293-R295 PolarHBondContact O-N 2.78Å |
| 294 | Q | 93.4 | Very high | 94.7 | Very high | 113 Ų | 113 | 79 Ų | 79 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -71.9 | 125.7 | -176.5 | -58.1 | -175.1 | 20.1 | 0 | 0 | 111.7 | V291 I292 I296 R367 | V291-Q294 VanDerWaalsContact O-CB 3.31Å; V291-Q294 WeakPolarHBondContact O-CB 3.44Å; V291-Q294 PolarHBondContact O-N 3.4Å; V291-Q294 VanDerWaalsContact O-N 3.1Å; I292-Q294 PolarHBondContact O-N 2.85Å; Q294-I296 PolarHBondContact O-N 2.75Å; Q294-R367 WeakPolarHBondContact O-CD 3.44Å; Q294-R367 PolarHBondContact O-NH1 2.88Å |
| 295 | R | 94.9 | Very high | 94.8 | Very high | 133 Ų | 133 | 78.1 Ų | 78.1 | 50% | 0.502 | 41% | 0.406 | S | S | . | . | trans | -71.8 | 107.3 | -175.7 | -173.4 | -179.9 | -179.3 | -81 | -1.3 | 112.1 | E293 R297 E311 N315 | E293-R295 PolarHBondContact O-N 2.78Å; R295-R297 PolarHBondContact O-N 3.03Å; R295-E311 VanDerWaalsContact CZ-CD 3.48Å; R295-E311 IonicContact CZ-OE1 3.56Å; R295-E311 IonicContact CZ-OE2 3.51Å; R295-E311 IonicContact NH1-OE1 2.76Å; R295-E311 PolarHBondContact NH1-OE1 2.76Å; R295-E311 IonicContact NH1-OE2 3.43Å; R295-E311 PolarHBondContact NH1-OE2 2.8Å; R295-E311 IonicContact NH2-OE1 3.57Å; R295-E311 IonicContact NH2-OE2 2.73Å; R295-E311 PolarHBondContact NH2-OE2 2.67Å; R295-N315 WeakPolarHBondContact CA-OD1 3.23Å; R295-N315 HydrophobicContact CG-CB 4.32Å | ||
| 296 | I | 95.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 74.4 Ų | 74.4 | 8% | 0.077 | 38% | 0.379 | C | S | . | . | trans | -62.1 | 116.3 | 174.1 | -62.9 | 171.1 | 0 | 0 | 0 | 109.2 | Q294 I314 N315 R363 V364 R367 | Q294-I296 PolarHBondContact O-N 2.75Å; I296-I314 HydrophobicContact CB-CD1 4.16Å; I296-I314 HydrophobicContact CG2-CD1 3.78Å; I296-N315 PolarHBondContact N-OD1 3.49Å; I296-N315 PolarHBondContact O-ND2 2.9Å; I296-R363 HydrophobicContact CD1-CB 4.34Å; I296-R363 HydrophobicContact CG2-CB 3.91Å; I296-V364 HydrophobicContact CD1-CB 4.41Å; I296-V364 HydrophobicContact CD1-CG2 3.67Å; I296-R367 HydrophobicContact CD1-CB 4.28Å | ||
| 297 | R | 96.3 | Very high | 95.1 | Very high | 204 Ų | 204 | 71.9 Ų | 71.9 | 77% | 0.77 | 36% | 0.361 | S | S | * | . | trans | -82.6 | 131.3 | 172.2 | -67.2 | -170.6 | -67.5 | -164 | -2.4 | 110.2 | R295 E311 | R295-R297 PolarHBondContact O-N 3.03Å; R297-E311 WeakPolarHBondContact CA-OE1 3.44Å | ||
| 298 | Y | 96.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 72.9 Ų | 72.9 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | trans | -124.7 | 127 | -179.6 | 178.1 | -98.5 | 0 | 0 | 0 | 111.4 | T301 N307 I310 A356 E359 T360 | Y298-T301 HydrophobicContact CE1-CG2 4.12Å; Y298-T301 VanDerWaalsContact OH-CG2 3.27Å; Y298-T301 WeakPolarHBondContact OH-CG2 3.48Å; Y298-T301 PolarHBondContact OH-N 3.42Å; Y298-N307 HydrophobicContact CD1-CB 4.31Å; Y298-N307 HydrophobicContact CE1-CB 4.49Å; Y298-N307 WeakPolarHBondContact CE1-OD1 3.17Å; Y298-I310 HydrophobicContact CD1-CB 3.87Å; Y298-I310 HydrophobicContact CD1-CG2 3.79Å; Y298-I310 HydrophobicContact CE1-CB 4.11Å; Y298-I310 HydrophobicContact CE1-CD1 4.03Å; Y298-I310 HydrophobicContact CE1-CG2 4.07Å; Y298-I310 HydrophobicContact CG-CG2 4.13Å; Y298-A356 HydrophobicContact CE2-CB 4.44Å; Y298-A356 VanDerWaalsContact OH-CB 3.25Å; Y298-A356 WeakPolarHBondContact OH-CB 3.24Å; Y298-E359 HydrophobicContact CE2-CB 4.29Å; Y298-E359 HydrophobicContact CE2-CG 4.21Å; Y298-E359 WeakPolarHBondContact CE2-OE2 3.43Å; Y298-T360 HydrophobicContact CD2-CG2 3.42Å; Y298-T360 VanDerWaalsContact CD2-CG2 3.42Å; Y298-T360 HydrophobicContact CE2-CG2 3.81Å; Y298-T360 HydrophobicContact CG-CG2 3.96Å | ||
| 299 | A | 96.1 | Very high | 95.3 | Very high | 79 Ų | 79 | 71.1 Ų | 71.1 | 65% | 0.653 | 35% | 0.345 | S | S | * | . | trans | -144.7 | 18.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | T301 N307 | A299-T301 PolarHBondContact O-N 2.93Å; A299-N307 PolarHBondContact O-ND2 2.87Å | ||
| 300 | G | 93.6 | Very high | 95.5 | Very high | 41 Ų | 41 | 68.4 Ų | 68.4 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | trans | -65 | -35.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E359 | G300-E359 VanDerWaalsContact CA-OE2 3.23Å; G300-E359 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 301 | T | 95.2 | Very high | 95.6 | Very high | 13 Ų | 13 | 65 Ų | 65 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -83.4 | 158.3 | -179 | 90.4 | 0 | 0 | 0 | 0 | 112.1 | Y298 A299 Y303 I306 N307 V352 | Y298-T301 HydrophobicContact CE1-CG2 4.12Å; Y298-T301 VanDerWaalsContact OH-CG2 3.27Å; Y298-T301 WeakPolarHBondContact OH-CG2 3.48Å; Y298-T301 PolarHBondContact OH-N 3.42Å; A299-T301 PolarHBondContact O-N 2.93Å; T301-Y303 PolarHBondContact O-N 3.17Å; T301-Y303 PolarHBondContact OG1-N 3.15Å; T301-Y303 VanDerWaalsContact OG1-N 3.09Å; T301-Y303 PolarHBondContact OG1-O 2.9Å; T301-I306 HydrophobicContact CG2-CG2 3.92Å; T301-N307 VanDerWaalsContact CB-OD1 3.3Å; T301-N307 WeakPolarHBondContact CB-OD1 3.5Å; T301-N307 WeakPolarHBondContact CG2-OD1 3.35Å; T301-N307 PolarHBondContact N-OD1 2.95Å; T301-N307 VanDerWaalsContact N-OD1 3.13Å; T301-N307 PolarHBondContact O-ND2 3.18Å; T301-N307 PolarHBondContact O-OD1 2.75Å; T301-N307 PolarHBondContact OG1-OD1 2.9Å; T301-V352 HydrophobicContact CG2-CG1 3.58Å |
| 302 | R | 94.9 | Very high | 95.6 | Very high | 235 Ų | 235 | 72.4 Ų | 72.4 | 89% | 0.887 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -71.6 | -0.7 | 172.4 | -56.6 | -175.5 | -171.2 | -171.1 | 3.3 | 114.1 | ||
| 303 | Y | 96.3 | Very high | 95.7 | Very high | 78 Ų | 78 | 72.8 Ų | 72.8 | 31% | 0.306 | 33% | 0.333 | S | S | . | . | trans | -115.9 | 102.4 | -171.6 | -56.3 | -74.2 | 0 | 0 | 0 | 110.9 | T301 E305 I306 N307 L342 L344 | T301-Y303 PolarHBondContact O-N 3.17Å; T301-Y303 PolarHBondContact OG1-N 3.15Å; T301-Y303 VanDerWaalsContact OG1-N 3.09Å; T301-Y303 PolarHBondContact OG1-O 2.9Å; Y303-E305 PolarHBondContact O-N 2.91Å; Y303-I306 HydrophobicContact CD2-CD1 3.89Å; Y303-I306 HydrophobicContact CG-CD1 4.06Å; Y303-I306 PolarHBondContact O-N 3.19Å; Y303-N307 PolarHBondContact O-N 3.37Å; Y303-L342 HydrophobicContact CD1-CD1 4.13Å; Y303-L342 HydrophobicContact CD1-CD2 4.45Å; Y303-L342 HydrophobicContact CG-CD1 4.16Å; Y303-L344 HydrophobicContact CD2-CD1 4.48Å; Y303-L344 HydrophobicContact CE1-CD2 4.44Å; Y303-L344 HydrophobicContact CE2-CD1 4.25Å; Y303-L344 HydrophobicContact CE2-CD2 3.93Å; Y303-L344 WeakPolarHBondContact OH-CD2 3.21Å | ||
| 304 | P | 96.6 | Very high | 95.9 | Very high | 64 Ų | 64 | 70.1 Ų | 70.1 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.8 | -26.8 | -178.5 | -27.2 | 36.1 | 0 | 0 | 0 | 114.4 | K308 | P304-K308 VanDerWaalsContact O-CB 3.25Å; P304-K308 WeakPolarHBondContact O-CB 3.47Å; P304-K308 WeakPolarHBondContact O-CD 3.46Å; P304-K308 WeakPolarHBondContact O-CG 3.41Å; P304-K308 PolarHBondContact O-N 2.91Å |
| 305 | E | 96.3 | Very high | 95.9 | Very high | 62 Ų | 62 | 66.2 Ų | 66.2 | 29% | 0.29 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.1 | -36.1 | 179.3 | -59.7 | 63.1 | -135.2 | 0 | 0 | 111.7 | Y303 R309 H340 | Y303-E305 PolarHBondContact O-N 2.91Å; E305-R309 WeakPolarHBondContact O-CB 3.49Å; E305-R309 PolarHBondContact O-N 2.7Å; E305-H340 HydrophobicContact CB-CB 4.26Å; E305-H340 HydrophobicContact CG-CB 3.98Å; E305-H340 WeakPolarHBondContact CG-ND1 3.49Å |
| 306 | I | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.5 | -48.2 | 173 | -62.1 | 178.4 | 0 | 0 | 0 | 108.6 | T301 Y303 K308 R309 I310 V333 A336 L342 L344 V352 | T301-I306 HydrophobicContact CG2-CG2 3.92Å; Y303-I306 HydrophobicContact CD2-CD1 3.89Å; Y303-I306 HydrophobicContact CG-CD1 4.06Å; Y303-I306 PolarHBondContact O-N 3.19Å; I306-K308 PolarHBondContact O-N 3.39Å; I306-R309 WeakPolarHBondContact O-CA 3.36Å; I306-R309 WeakPolarHBondContact O-CB 3.47Å; I306-R309 PolarHBondContact O-N 2.85Å; I306-I310 HydrophobicContact CG2-CD1 3.66Å; I306-I310 HydrophobicContact CG2-CG1 4.24Å; I306-I310 PolarHBondContact O-N 2.96Å; I306-V333 HydrophobicContact CD1-CG1 4.32Å; I306-V333 HydrophobicContact CG2-CG2 3.94Å; I306-A336 HydrophobicContact CB-CB 4.46Å; I306-A336 HydrophobicContact CG1-CB 3.76Å; I306-L342 HydrophobicContact CD1-CD1 3.96Å; I306-L342 HydrophobicContact CG1-CD1 3.92Å; I306-L344 HydrophobicContact CD1-CD1 3.92Å; I306-V352 HydrophobicContact CD1-CG1 4.37Å |
| 307 | N | 97.4 | Very high | 95.4 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.3 | -55.4 | -179.9 | -66.9 | -9.4 | 0 | 0 | 0 | 111.5 | Y298 A299 T301 Y303 R309 I310 E311 | Y298-N307 HydrophobicContact CD1-CB 4.31Å; Y298-N307 HydrophobicContact CE1-CB 4.49Å; Y298-N307 WeakPolarHBondContact CE1-OD1 3.17Å; A299-N307 PolarHBondContact O-ND2 2.87Å; T301-N307 VanDerWaalsContact CB-OD1 3.3Å; T301-N307 WeakPolarHBondContact CB-OD1 3.5Å; T301-N307 WeakPolarHBondContact CG2-OD1 3.35Å; T301-N307 PolarHBondContact N-OD1 2.95Å; T301-N307 VanDerWaalsContact N-OD1 3.13Å; T301-N307 PolarHBondContact O-ND2 3.18Å; T301-N307 PolarHBondContact O-OD1 2.75Å; T301-N307 PolarHBondContact OG1-OD1 2.9Å; Y303-N307 PolarHBondContact O-N 3.37Å; N307-R309 PolarHBondContact O-N 3.29Å; N307-I310 PolarHBondContact O-N 3.41Å; N307-E311 WeakPolarHBondContact O-CB 3.17Å; N307-E311 PolarHBondContact O-N 3.33Å |
| 308 | K | 96.8 | Very high | 94.8 | Very high | 131 Ų | 131 | 58.6 Ų | 58.6 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.9 | -10.4 | 176.7 | -70.7 | 170.5 | -178.4 | 173.9 | 0 | 114.3 | P304 I306 R312 | P304-K308 VanDerWaalsContact O-CB 3.25Å; P304-K308 WeakPolarHBondContact O-CB 3.47Å; P304-K308 WeakPolarHBondContact O-CD 3.46Å; P304-K308 WeakPolarHBondContact O-CG 3.41Å; P304-K308 PolarHBondContact O-N 2.91Å; I306-K308 PolarHBondContact O-N 3.39Å; K308-R312 PolarHBondContact O-NE 3.38Å; K308-R312 PolarHBondContact O-NH2 2.94Å |
| 309 | R | 96.1 | Very high | 94.2 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -94.4 | -48.8 | 176.3 | -170.6 | 179.8 | 178.6 | 102.6 | 27.2 | 111 | E305 I306 N307 R312 F313 Q332 R335 | E305-R309 WeakPolarHBondContact O-CB 3.49Å; E305-R309 PolarHBondContact O-N 2.7Å; I306-R309 WeakPolarHBondContact O-CA 3.36Å; I306-R309 WeakPolarHBondContact O-CB 3.47Å; I306-R309 PolarHBondContact O-N 2.85Å; N307-R309 PolarHBondContact O-N 3.29Å; R309-R312 PolarHBondContact O-N 2.81Å; R309-F313 WeakPolarHBondContact O-CB 3.42Å; R309-F313 PolarHBondContact O-N 3.39Å; R309-Q332 VanDerWaalsContact CD-O 3.25Å; R309-Q332 WeakPolarHBondContact CD-O 3.21Å; R309-Q332 HydrophobicContact CG-CB 4.23Å; R309-Q332 VanDerWaalsContact CZ-OE1 3.29Å; R309-Q332 PolarHBondContact NE-O 2.92Å; R309-R335 PolarHBondContact NH1-O 3.15Å |
| 310 | I | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 174.3 | -64.6 | 178 | 0 | 0 | 0 | 109.8 | Y298 I306 N307 R312 F313 I314 I329 Q332 V333 A356 T360 | Y298-I310 HydrophobicContact CD1-CB 3.87Å; Y298-I310 HydrophobicContact CD1-CG2 3.79Å; Y298-I310 HydrophobicContact CE1-CB 4.11Å; Y298-I310 HydrophobicContact CE1-CD1 4.03Å; Y298-I310 HydrophobicContact CE1-CG2 4.07Å; Y298-I310 HydrophobicContact CG-CG2 4.13Å; I306-I310 HydrophobicContact CG2-CD1 3.66Å; I306-I310 HydrophobicContact CG2-CG1 4.24Å; I306-I310 PolarHBondContact O-N 2.96Å; N307-I310 PolarHBondContact O-N 3.41Å; I310-R312 VanDerWaalsContact C-N 3.26Å; I310-R312 PolarHBondContact O-N 3.35Å; I310-F313 PolarHBondContact O-N 2.91Å; I310-I314 HydrophobicContact CG2-CG2 4.12Å; I310-I314 WeakPolarHBondContact O-CG1 3.32Å; I310-I314 PolarHBondContact O-N 3.47Å; I310-I329 HydrophobicContact CD1-CG2 4.12Å; I310-I329 HydrophobicContact CG2-CD1 4.3Å; I310-Q332 HydrophobicContact CG1-CB 4.3Å; I310-V333 HydrophobicContact CD1-CG2 3.99Å; I310-A356 HydrophobicContact CD1-CB 3.67Å; I310-T360 HydrophobicContact CG2-CG2 3.76Å |
| 311 | E | 96.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.4 | -30.6 | 177 | -165.8 | -165.4 | -148.1 | 0 | 0 | 113.7 | R295 R297 N307 N315 | R295-E311 VanDerWaalsContact CZ-CD 3.48Å; R295-E311 IonicContact CZ-OE1 3.56Å; R295-E311 IonicContact CZ-OE2 3.51Å; R295-E311 IonicContact NH1-OE1 2.76Å; R295-E311 PolarHBondContact NH1-OE1 2.76Å; R295-E311 IonicContact NH1-OE2 3.43Å; R295-E311 PolarHBondContact NH1-OE2 2.8Å; R295-E311 IonicContact NH2-OE1 3.57Å; R295-E311 IonicContact NH2-OE2 2.73Å; R295-E311 PolarHBondContact NH2-OE2 2.67Å; R297-E311 WeakPolarHBondContact CA-OE1 3.44Å; N307-E311 WeakPolarHBondContact O-CB 3.17Å; N307-E311 PolarHBondContact O-N 3.33Å; E311-N315 PolarHBondContact O-ND2 3.45Å |
| 312 | R | 95.8 | Very high | 92.6 | Very high | 168 Ų | 168 | 63.9 Ų | 63.9 | 63% | 0.634 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -82.9 | -25.8 | 173.2 | -79.9 | -176 | -64.8 | 140.3 | 5.2 | 113.1 | K308 R309 I310 | K308-R312 PolarHBondContact O-NE 3.38Å; K308-R312 PolarHBondContact O-NH2 2.94Å; R309-R312 PolarHBondContact O-N 2.81Å; I310-R312 VanDerWaalsContact C-N 3.26Å; I310-R312 PolarHBondContact O-N 3.35Å |
| 313 | F | 95.6 | Very high | 92.4 | Very high | 45 Ų | 45 | 56 Ų | 56 | 20% | 0.197 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.8 | -52.2 | 179.5 | -178.8 | -123.6 | 0 | 0 | 0 | 110.8 | R309 I310 N315 S316 T319 P324 D328 I329 Q332 | R309-F313 WeakPolarHBondContact O-CB 3.42Å; R309-F313 PolarHBondContact O-N 3.39Å; I310-F313 PolarHBondContact O-N 2.91Å; F313-N315 PolarHBondContact O-N 3.46Å; F313-S316 WeakPolarHBondContact O-CB 3.25Å; F313-S316 PolarHBondContact O-N 3.26Å; F313-S316 PolarHBondContact O-OG 2.9Å; F313-T319 HydrophobicContact CD2-CG2 4.31Å; F313-T319 HydrophobicContact CE1-CG2 4.49Å; F313-T319 HydrophobicContact CE2-CG2 3.99Å; F313-T319 HydrophobicContact CZ-CG2 4.08Å; F313-T319 WeakPolarHBondContact O-CG2 3.47Å; F313-T319 PolarHBondContact O-OG1 3Å; F313-P324 HydrophobicContact CD1-CB 4.3Å; F313-P324 HydrophobicContact CE1-CB 3.48Å; F313-P324 VanDerWaalsContact CE1-CB 3.48Å; F313-P324 HydrophobicContact CE1-CG 4.33Å; F313-P324 HydrophobicContact CZ-CB 4.03Å; F313-D328 HydrophobicContact CE1-CB 3.49Å; F313-D328 VanDerWaalsContact CE1-CB 3.49Å; F313-D328 HydrophobicContact CZ-CB 3.64Å; F313-I329 HydrophobicContact CD1-CD1 4.06Å; F313-I329 HydrophobicContact CE1-CD1 4.27Å; F313-Q332 HydrophobicContact CB-CG 4.08Å; F313-Q332 HydrophobicContact CD1-CG 3.7Å; F313-Q332 HydrophobicContact CE1-CG 4.29Å; F313-Q332 HydrophobicContact CG-CG 3.86Å |
| 314 | I | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -1.8 | -179.3 | 72.9 | -174.5 | 0 | 0 | 0 | 115.3 | I296 I310 P324 I329 T360 | I296-I314 HydrophobicContact CB-CD1 4.16Å; I296-I314 HydrophobicContact CG2-CD1 3.78Å; I310-I314 HydrophobicContact CG2-CG2 4.12Å; I310-I314 WeakPolarHBondContact O-CG1 3.32Å; I310-I314 PolarHBondContact O-N 3.47Å; I314-P324 HydrophobicContact CG2-CG 4.23Å; I314-I329 HydrophobicContact CG2-CD1 4.25Å; I314-T360 HydrophobicContact CD1-CG2 3.67Å; I314-T360 HydrophobicContact CG2-CG2 4.23Å |
| 315 | N | 94.7 | Very high | 92.2 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 17% | 0.171 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 19.5 | 176 | -64.7 | -69.6 | 0 | 0 | 0 | 111.4 | R295 I296 E311 F313 R367 | R295-N315 WeakPolarHBondContact CA-OD1 3.23Å; R295-N315 HydrophobicContact CG-CB 4.32Å; I296-N315 PolarHBondContact N-OD1 3.49Å; I296-N315 PolarHBondContact O-ND2 2.9Å; E311-N315 PolarHBondContact O-ND2 3.45Å; F313-N315 PolarHBondContact O-N 3.46Å; N315-R367 PolarHBondContact OD1-NH1 3.49Å; N315-R367 VanDerWaalsContact OD1-NH1 3.11Å |
| 316 | S | 92.6 | Very high | 92.2 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -79.1 | 152 | 168.3 | 69 | 0 | 0 | 0 | 0 | 110.1 | F313 G318 T319 Q320 | F313-S316 WeakPolarHBondContact O-CB 3.25Å; F313-S316 PolarHBondContact O-N 3.26Å; F313-S316 PolarHBondContact O-OG 2.9Å; S316-G318 PolarHBondContact O-N 3.29Å; S316-T319 PolarHBondContact N-OG1 2.9Å; S316-T319 VanDerWaalsContact N-OG1 3.14Å; S316-T319 PolarHBondContact O-N 2.82Å; S316-T319 VanDerWaalsContact O-N 3.11Å; S316-T319 PolarHBondContact O-OG1 3.43Å; S316-T319 WeakPolarHBondContact OG-CG2 3.3Å; S316-T319 PolarHBondContact OG-OG1 2.94Å; S316-Q320 PolarHBondContact O-N 2.9Å |
| 317 | P | 86.1 | Confident | 92.2 | Very high | 105 Ų | 105 | 57.9 Ų | 57.9 | 68% | 0.682 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -53.9 | -50.1 | 179.7 | -28.6 | 36.5 | 0 | 0 | 0 | 113.3 | T319 Q320 | P317-T319 PolarHBondContact O-N 3.28Å; P317-T319 VanDerWaalsContact O-N 3.16Å; P317-Q320 WeakPolarHBondContact O-CA 3.48Å; P317-Q320 VanDerWaalsContact O-CB 3.25Å; P317-Q320 WeakPolarHBondContact O-CB 3.44Å; P317-Q320 PolarHBondContact O-N 3.44Å |
| 318 | G | 83.4 | Confident | 92.2 | Very high | 51 Ų | 51 | 59.4 Ų | 59.4 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.7 | -32.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S316 Q320 N321 S322 | S316-G318 PolarHBondContact O-N 3.29Å; G318-Q320 PolarHBondContact O-N 3.43Å; G318-N321 PolarHBondContact O-N 3.23Å; G318-S322 PolarHBondContact O-N 3.06Å |
| 319 | T | 84.1 | Confident | 92.2 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77 | -0.7 | 173.4 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | F313 S316 P317 S322 P324 | F313-T319 HydrophobicContact CD2-CG2 4.31Å; F313-T319 HydrophobicContact CE1-CG2 4.49Å; F313-T319 HydrophobicContact CE2-CG2 3.99Å; F313-T319 HydrophobicContact CZ-CG2 4.08Å; F313-T319 WeakPolarHBondContact O-CG2 3.47Å; F313-T319 PolarHBondContact O-OG1 3Å; S316-T319 PolarHBondContact N-OG1 2.9Å; S316-T319 VanDerWaalsContact N-OG1 3.14Å; S316-T319 PolarHBondContact O-N 2.82Å; S316-T319 VanDerWaalsContact O-N 3.11Å; S316-T319 PolarHBondContact O-OG1 3.43Å; S316-T319 WeakPolarHBondContact OG-CG2 3.3Å; S316-T319 PolarHBondContact OG-OG1 2.94Å; P317-T319 PolarHBondContact O-N 3.28Å; P317-T319 VanDerWaalsContact O-N 3.16Å; T319-S322 VanDerWaalsContact CA-O 3.31Å; T319-S322 WeakPolarHBondContact CA-O 3.47Å; T319-P324 HydrophobicContact CG2-CB 4.43Å; T319-P324 HydrophobicContact CG2-CG 4.44Å |
| 320 | Q | 80.3 | Confident | 92.3 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 29% | 0.29 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -81.9 | -38.1 | 168 | -57 | -164.5 | 33.7 | 0 | 0 | 111.1 | S316 P317 G318 R368 | S316-Q320 PolarHBondContact O-N 2.9Å; P317-Q320 WeakPolarHBondContact O-CA 3.48Å; P317-Q320 VanDerWaalsContact O-CB 3.25Å; P317-Q320 WeakPolarHBondContact O-CB 3.44Å; P317-Q320 PolarHBondContact O-N 3.44Å; G318-Q320 PolarHBondContact O-N 3.43Å; Q320-R368 PolarHBondContact O-NH2 2.86Å |
| 321 | N | 82.4 | Confident | 92.3 | Very high | 96 Ų | 96 | 58 Ų | 58 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -80.9 | -59.7 | 174.3 | -65.8 | 15.9 | 0 | 0 | 0 | 110.9 | G318 P323 R368 E461 | G318-N321 PolarHBondContact O-N 3.23Å; N321-P323 WeakPolarHBondContact O-CD 3.46Å; N321-R368 PolarHBondContact O-NH2 3.28Å; N321-E461 PolarHBondContact ND2-OE1 3.23Å; N321-E461 PolarHBondContact ND2-OE2 3.13Å |
| 322 | S | 88.8 | Confident | 92.3 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 60% | 0.601 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -98.3 | 108.2 | -178.8 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | G318 T319 | G318-S322 PolarHBondContact O-N 3.06Å; T319-S322 VanDerWaalsContact CA-O 3.31Å; T319-S322 WeakPolarHBondContact CA-O 3.47Å |
| 323 | P | 90.6 | Very high | 92.4 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | trans | -71.4 | 133.2 | -177 | 30.1 | -33.3 | 0 | 0 | 0 | 110.8 | N321 V364 | N321-P323 WeakPolarHBondContact O-CD 3.46Å; P323-V364 HydrophobicContact CB-CG1 4.42Å | ||
| 324 | P | 93.7 | Very high | 92.5 | Very high | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.104 | 30% | 0.296 | C | S | . | . | trans | -66.8 | 138.1 | -169.3 | 26.2 | -35 | 0 | 0 | 0 | 113 | F313 I314 T319 D328 I329 F357 | F313-P324 HydrophobicContact CD1-CB 4.3Å; F313-P324 HydrophobicContact CE1-CB 3.48Å; F313-P324 VanDerWaalsContact CE1-CB 3.48Å; F313-P324 HydrophobicContact CE1-CG 4.33Å; F313-P324 HydrophobicContact CZ-CB 4.03Å; I314-P324 HydrophobicContact CG2-CG 4.23Å; T319-P324 HydrophobicContact CG2-CB 4.43Å; T319-P324 HydrophobicContact CG2-CG 4.44Å; P324-D328 WeakPolarHBondContact CA-OD2 3.32Å; P324-D328 HydrophobicContact CB-CB 4.33Å; P324-I329 HydrophobicContact CB-CD1 4.36Å; P324-I329 HydrophobicContact CG-CD1 4.41Å; P324-F357 WeakPolarHBondContact O-CE2 3.28Å | ||
| 325 | N | 95.4 | Very high | 92.5 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | trans | -84.6 | 175.1 | 178.7 | 73.9 | 61.4 | 0 | 0 | 0 | 112 | S327 D328 I329 | N325-S327 PolarHBondContact O-N 3.34Å; N325-S327 VanDerWaalsContact OD1-CA 3.27Å; N325-S327 WeakPolarHBondContact OD1-CA 3.08Å; N325-S327 WeakPolarHBondContact OD1-CB 3.41Å; N325-S327 PolarHBondContact OD1-N 3.46Å; N325-D328 VanDerWaalsContact CG-CG 3.43Å; N325-D328 VanDerWaalsContact CG-OD2 3.22Å; N325-D328 PolarHBondContact N-OD2 2.97Å; N325-D328 PolarHBondContact ND2-OD1 3.49Å; N325-D328 PolarHBondContact ND2-OD2 2.84Å; N325-D328 PolarHBondContact O-N 3.06Å; N325-D328 PolarHBondContact OD1-N 2.95Å; N325-D328 PolarHBondContact OD1-OD1 2.88Å; N325-I329 PolarHBondContact O-N 3.31Å | ||
| 326 | Y | 97.4 | Very high | 92.6 | Very high | 75 Ų | 75 | 55 Ų | 55 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 180 | 168.5 | -104.7 | 0 | 0 | 0 | 113.6 | D328 I329 L330 A353 R354 F357 | Y326-D328 VanDerWaalsContact C-N 3.32Å; Y326-D328 PolarHBondContact O-N 3.24Å; Y326-I329 PolarHBondContact O-N 2.97Å; Y326-L330 HydrophobicContact CE1-CD2 4.06Å; Y326-L330 WeakPolarHBondContact O-CB 3.45Å; Y326-L330 PolarHBondContact O-N 3.37Å; Y326-A353 HydrophobicContact CE2-CB 3.99Å; Y326-R354 HydrophobicContact CE2-CB 4.11Å; Y326-F357 HydrophobicContact CD2-CB 4.23Å; Y326-F357 HydrophobicContact CD2-CD1 4.27Å; Y326-F357 HydrophobicContact CD2-CG 4.32Å |
| 327 | S | 97.1 | Very high | 92.8 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 52% | 0.517 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 177.9 | -162.6 | 0 | 0 | 0 | 0 | 111.2 | N325 L330 H331 | N325-S327 PolarHBondContact O-N 3.34Å; N325-S327 VanDerWaalsContact OD1-CA 3.27Å; N325-S327 WeakPolarHBondContact OD1-CA 3.08Å; N325-S327 WeakPolarHBondContact OD1-CB 3.41Å; N325-S327 PolarHBondContact OD1-N 3.46Å; S327-L330 PolarHBondContact O-N 3.01Å; S327-H331 WeakPolarHBondContact O-CB 3.14Å; S327-H331 PolarHBondContact O-N 2.96Å |
| 328 | D | 96.5 | Very high | 93.2 | Very high | 48 Ų | 48 | 58 Ų | 58 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 179.1 | -49 | -29.6 | 0 | 0 | 0 | 111.4 | F313 P324 N325 Y326 H331 Q332 | F313-D328 HydrophobicContact CE1-CB 3.49Å; F313-D328 VanDerWaalsContact CE1-CB 3.49Å; F313-D328 HydrophobicContact CZ-CB 3.64Å; P324-D328 WeakPolarHBondContact CA-OD2 3.32Å; P324-D328 HydrophobicContact CB-CB 4.33Å; N325-D328 VanDerWaalsContact CG-CG 3.43Å; N325-D328 VanDerWaalsContact CG-OD2 3.22Å; N325-D328 PolarHBondContact N-OD2 2.97Å; N325-D328 PolarHBondContact ND2-OD1 3.49Å; N325-D328 PolarHBondContact ND2-OD2 2.84Å; N325-D328 PolarHBondContact O-N 3.06Å; N325-D328 PolarHBondContact OD1-N 2.95Å; N325-D328 PolarHBondContact OD1-OD1 2.88Å; Y326-D328 VanDerWaalsContact C-N 3.32Å; Y326-D328 PolarHBondContact O-N 3.24Å; D328-H331 PolarHBondContact O-N 3.49Å; D328-Q332 WeakPolarHBondContact O-CG 3.23Å; D328-Q332 PolarHBondContact O-N 3.32Å |
| 329 | I | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 177.7 | -60.4 | -61.1 | 0 | 0 | 0 | 110.1 | I310 F313 I314 P324 N325 Y326 H331 Q332 V333 A356 F357 | I310-I329 HydrophobicContact CD1-CG2 4.12Å; I310-I329 HydrophobicContact CG2-CD1 4.3Å; F313-I329 HydrophobicContact CD1-CD1 4.06Å; F313-I329 HydrophobicContact CE1-CD1 4.27Å; I314-I329 HydrophobicContact CG2-CD1 4.25Å; P324-I329 HydrophobicContact CB-CD1 4.36Å; P324-I329 HydrophobicContact CG-CD1 4.41Å; N325-I329 PolarHBondContact O-N 3.31Å; Y326-I329 PolarHBondContact O-N 2.97Å; I329-H331 VanDerWaalsContact C-N 3.34Å; I329-H331 PolarHBondContact O-N 3.28Å; I329-Q332 PolarHBondContact O-N 2.62Å; I329-V333 WeakPolarHBondContact O-CG2 3.3Å; I329-V333 PolarHBondContact O-N 3.33Å; I329-A356 HydrophobicContact CG2-CB 3.96Å; I329-F357 HydrophobicContact CB-CB 4.23Å; I329-F357 HydrophobicContact CG1-CB 4.18Å; I329-F357 HydrophobicContact CG1-CD2 4.09Å; I329-F357 HydrophobicContact CG2-CB 4.19Å |
| 330 | L | 97.8 | Very high | 94.4 | Very high | 37 Ų | 37 | 69 Ų | 69 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 173.7 | 179.4 | 61.1 | 0 | 0 | 0 | 111.9 | Y326 S327 V333 V334 E350 A353 | Y326-L330 HydrophobicContact CE1-CD2 4.06Å; Y326-L330 WeakPolarHBondContact O-CB 3.45Å; Y326-L330 PolarHBondContact O-N 3.37Å; S327-L330 PolarHBondContact O-N 3.01Å; L330-V333 PolarHBondContact O-N 2.88Å; L330-V334 HydrophobicContact CD1-CG2 4.22Å; L330-V334 HydrophobicContact CG-CG2 4.47Å; L330-V334 WeakPolarHBondContact O-CB 3.41Å; L330-V334 VanDerWaalsContact O-CG2 3.28Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 3.29Å; L330-E350 HydrophobicContact CD1-CG 4.05Å; L330-E350 HydrophobicContact CD2-CG 4.49Å; L330-A353 HydrophobicContact CB-CB 3.87Å; L330-A353 HydrophobicContact CD1-CB 3.68Å; L330-A353 HydrophobicContact CG-CB 4.39Å |
| 331 | H | 97.3 | Very high | 95 | Very high | 100 Ų | 100 | 68.6 Ų | 68.6 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.5 | 180 | -159.9 | 0 | 0 | 0 | 111.4 | S327 D328 I329 V334 R335 | S327-H331 WeakPolarHBondContact O-CB 3.14Å; S327-H331 PolarHBondContact O-N 2.96Å; D328-H331 PolarHBondContact O-N 3.49Å; I329-H331 VanDerWaalsContact C-N 3.34Å; I329-H331 PolarHBondContact O-N 3.28Å; H331-V334 PolarHBondContact O-N 2.98Å; H331-R335 WeakPolarHBondContact O-CB 3.26Å; H331-R335 PolarHBondContact O-N 2.91Å |
| 332 | Q | 96.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 66 Ų | 66 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 172.1 | -57.2 | -48.1 | -23 | 0 | 0 | 111.5 | R309 I310 F313 D328 I329 R335 A336 | R309-Q332 VanDerWaalsContact CD-O 3.25Å; R309-Q332 WeakPolarHBondContact CD-O 3.21Å; R309-Q332 HydrophobicContact CG-CB 4.23Å; R309-Q332 VanDerWaalsContact CZ-OE1 3.29Å; R309-Q332 PolarHBondContact NE-O 2.92Å; I310-Q332 HydrophobicContact CG1-CB 4.3Å; F313-Q332 HydrophobicContact CB-CG 4.08Å; F313-Q332 HydrophobicContact CD1-CG 3.7Å; F313-Q332 HydrophobicContact CE1-CG 4.29Å; F313-Q332 HydrophobicContact CG-CG 3.86Å; D328-Q332 WeakPolarHBondContact O-CG 3.23Å; D328-Q332 PolarHBondContact O-N 3.32Å; I329-Q332 PolarHBondContact O-N 2.62Å; Q332-R335 PolarHBondContact O-N 3.43Å; Q332-A336 WeakPolarHBondContact O-CB 3.39Å; Q332-A336 PolarHBondContact O-N 3.44Å |
| 333 | V | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 176.3 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | I306 I310 I329 L330 R335 A336 N337 R349 V352 A353 | I306-V333 HydrophobicContact CD1-CG1 4.32Å; I306-V333 HydrophobicContact CG2-CG2 3.94Å; I310-V333 HydrophobicContact CD1-CG2 3.99Å; I329-V333 WeakPolarHBondContact O-CG2 3.3Å; I329-V333 PolarHBondContact O-N 3.33Å; L330-V333 PolarHBondContact O-N 2.88Å; V333-R335 PolarHBondContact O-N 3.36Å; V333-A336 PolarHBondContact O-N 3.28Å; V333-N337 WeakPolarHBondContact O-CB 3.26Å; V333-N337 PolarHBondContact O-N 2.9Å; V333-R349 HydrophobicContact CG1-CB 3.89Å; V333-R349 HydrophobicContact CG1-CG 4.11Å; V333-V352 HydrophobicContact CG1-CG1 4.22Å; V333-V352 HydrophobicContact CG2-CG1 4.18Å; V333-A353 HydrophobicContact CB-CB 4.48Å; V333-A353 HydrophobicContact CG2-CB 4.1Å |
| 334 | V | 97 | Very high | 95.9 | Very high | 54 Ų | 54 | 64.8 Ų | 64.8 | 33% | 0.327 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 178 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | L330 H331 A336 N337 K338 | L330-V334 HydrophobicContact CD1-CG2 4.22Å; L330-V334 HydrophobicContact CG-CG2 4.47Å; L330-V334 WeakPolarHBondContact O-CB 3.41Å; L330-V334 VanDerWaalsContact O-CG2 3.28Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 3.29Å; H331-V334 PolarHBondContact O-N 2.98Å; V334-A336 VanDerWaalsContact C-N 3.33Å; V334-A336 PolarHBondContact O-N 3.47Å; V334-N337 PolarHBondContact O-N 2.76Å; V334-K338 WeakPolarHBondContact O-CB 3.48Å; V334-K338 PolarHBondContact O-N 3.12Å |
| 335 | R | 96.6 | Very high | 96 | Very high | 138 Ų | 138 | 67 Ų | 67 | 52% | 0.521 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -77 | -17.3 | -177.9 | -162.3 | 171.4 | 166.3 | -158.2 | 3.6 | 112.9 | R309 H331 Q332 V333 R339 | R309-R335 PolarHBondContact NH1-O 3.15Å; H331-R335 WeakPolarHBondContact O-CB 3.26Å; H331-R335 PolarHBondContact O-N 2.91Å; Q332-R335 PolarHBondContact O-N 3.43Å; V333-R335 PolarHBondContact O-N 3.36Å; R335-R339 VanDerWaalsContact O-CB 3.32Å; R335-R339 WeakPolarHBondContact O-CB 3.32Å |
| 336 | A | 96.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -76.5 | -54.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I306 Q332 V333 V334 K338 R339 H340 | I306-A336 HydrophobicContact CB-CB 4.46Å; I306-A336 HydrophobicContact CG1-CB 3.76Å; Q332-A336 WeakPolarHBondContact O-CB 3.39Å; Q332-A336 PolarHBondContact O-N 3.44Å; V333-A336 PolarHBondContact O-N 3.28Å; V334-A336 VanDerWaalsContact C-N 3.33Å; V334-A336 PolarHBondContact O-N 3.47Å; A336-K338 VanDerWaalsContact C-N 3.31Å; A336-K338 PolarHBondContact O-N 3.42Å; A336-R339 PolarHBondContact O-N 2.93Å; A336-H340 PolarHBondContact O-CD2 2.87Å; A336-H340 PolarHBondContact O-N 3.09Å |
| 337 | N | 95.9 | Very high | 95.9 | Very high | 20 Ų | 20 | 69.1 Ų | 69.1 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -52.4 | -47 | 178.8 | 177.3 | 58 | 0 | 0 | 0 | 112 | V333 V334 R339 G341 L342 C343 L344 | V333-N337 WeakPolarHBondContact O-CB 3.26Å; V333-N337 PolarHBondContact O-N 2.9Å; V334-N337 PolarHBondContact O-N 2.76Å; N337-R339 PolarHBondContact O-N 3.46Å; N337-G341 PolarHBondContact O-N 2.89Å; N337-L342 PolarHBondContact O-N 3.34Å; N337-L342 WeakPolarHBondContact OD1-CB 3.24Å; N337-C343 PolarHBondContact OD1-N 3.14Å; N337-L344 PolarHBondContact OD1-N 2.9Å; N337-L344 VanDerWaalsContact OD1-N 3.1Å |
| 338 | K | 96 | Very high | 95.8 | Very high | 184 Ų | 184 | 69.6 Ų | 69.6 | 80% | 0.8 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.8 | -32.7 | 177.6 | -175.1 | 177.1 | 178.4 | -178.7 | 0 | 113.5 | V334 A336 | V334-K338 WeakPolarHBondContact O-CB 3.48Å; V334-K338 PolarHBondContact O-N 3.12Å; A336-K338 VanDerWaalsContact C-N 3.31Å; A336-K338 PolarHBondContact O-N 3.42Å |
| 339 | R | 96.2 | Very high | 95.8 | Very high | 193 Ų | 193 | 70 Ų | 70 | 73% | 0.728 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -79.1 | -33.9 | -178.9 | -179.9 | 175.1 | -179.5 | 147.4 | 2.2 | 112.6 | R335 A336 N337 | R335-R339 VanDerWaalsContact O-CB 3.32Å; R335-R339 WeakPolarHBondContact O-CB 3.32Å; A336-R339 PolarHBondContact O-N 2.93Å; N337-R339 PolarHBondContact O-N 3.46Å |
| 340 | H | 94.9 | Very high | 95.8 | Very high | 97 Ų | 97 | 73.7 Ų | 73.7 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -107.8 | -3.3 | -172.8 | -67.1 | -87.8 | 0 | 0 | 0 | 114.1 | E305 A336 L342 | E305-H340 HydrophobicContact CB-CB 4.26Å; E305-H340 HydrophobicContact CG-CB 3.98Å; E305-H340 WeakPolarHBondContact CG-ND1 3.49Å; A336-H340 PolarHBondContact O-CD2 2.87Å; A336-H340 PolarHBondContact O-N 3.09Å; H340-L342 HydrophobicContact CB-CD2 3.97Å; H340-L342 HydrophobicContact CB-CG 4.03Å |
| 341 | G | 93.5 | Very high | 95.8 | Very high | 53 Ų | 53 | 76.9 Ų | 76.9 | 55% | 0.546 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 32.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N337 C343 | N337-G341 PolarHBondContact O-N 2.89Å; G341-C343 PolarHBondContact O-N 3.46Å; G341-C343 VanDerWaalsContact O-N 3.08Å; G341-C343 PolarHBondContact O-SG 2.78Å |
| 342 | L | 92.6 | Very high | 95.7 | Very high | 41 Ų | 41 | 72.9 Ų | 72.9 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | trans | -71.7 | -0.3 | -173.8 | -50.2 | 176.6 | 0 | 0 | 0 | 114 | Y303 I306 N337 H340 L344 | Y303-L342 HydrophobicContact CD1-CD1 4.13Å; Y303-L342 HydrophobicContact CD1-CD2 4.45Å; Y303-L342 HydrophobicContact CG-CD1 4.16Å; I306-L342 HydrophobicContact CD1-CD1 3.96Å; I306-L342 HydrophobicContact CG1-CD1 3.92Å; N337-L342 PolarHBondContact O-N 3.34Å; N337-L342 WeakPolarHBondContact OD1-CB 3.24Å; H340-L342 HydrophobicContact CB-CD2 3.97Å; H340-L342 HydrophobicContact CB-CG 4.03Å; L342-L344 HydrophobicContact CB-CG 4.24Å; L342-L344 PolarHBondContact O-N 3.13Å | ||
| 343 | C | 93.3 | Very high | 95.8 | Very high | 118 Ų | 118 | 71.9 Ų | 71.9 | 80% | 0.797 | 36% | 0.361 | S | S | * | . | trans | 55.2 | 19.3 | 173.9 | -71.4 | 0 | 0 | 0 | 0 | 117 | N337 G341 | N337-C343 PolarHBondContact OD1-N 3.14Å; G341-C343 PolarHBondContact O-N 3.46Å; G341-C343 VanDerWaalsContact O-N 3.08Å; G341-C343 PolarHBondContact O-SG 2.78Å | ||
| 344 | L | 93.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 78.4 Ų | 78.4 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | trans | -65.3 | 137.3 | -179.8 | -57.5 | 178.4 | 0 | 0 | 0 | 112.4 | Y303 I306 N337 L342 Q348 R349 | Y303-L344 HydrophobicContact CD2-CD1 4.48Å; Y303-L344 HydrophobicContact CE1-CD2 4.44Å; Y303-L344 HydrophobicContact CE2-CD1 4.25Å; Y303-L344 HydrophobicContact CE2-CD2 3.93Å; Y303-L344 WeakPolarHBondContact OH-CD2 3.21Å; I306-L344 HydrophobicContact CD1-CD1 3.92Å; N337-L344 PolarHBondContact OD1-N 2.9Å; N337-L344 VanDerWaalsContact OD1-N 3.1Å; L342-L344 HydrophobicContact CB-CG 4.24Å; L342-L344 PolarHBondContact O-N 3.13Å; L344-Q348 HydrophobicContact CB-CB 4.34Å; L344-R349 HydrophobicContact CB-CG 3.66Å; L344-R349 HydrophobicContact CD1-CG 4.17Å; L344-R349 PolarHBondContact O-NH1 3.36Å | ||
| 345 | T | 95.8 | Very high | 95.8 | Very high | 63 Ų | 63 | 81.7 Ų | 81.7 | 39% | 0.387 | 40% | 0.398 | S | S | . | . | trans | -65.5 | 178.3 | 173.6 | 72.1 | 0 | 0 | 0 | 0 | 111.8 | Q348 R349 | T345-Q348 WeakPolarHBondContact OG1-CB 3.22Å; T345-Q348 VanDerWaalsContact OG1-CG 3.28Å; T345-Q348 WeakPolarHBondContact OG1-CG 3.4Å; T345-Q348 PolarHBondContact OG1-N 2.96Å; T345-R349 VanDerWaalsContact C-NH1 3.32Å; T345-R349 VanDerWaalsContact O-CG 3.28Å; T345-R349 WeakPolarHBondContact O-CG 3.45Å; T345-R349 VanDerWaalsContact O-CZ 3.28Å; T345-R349 PolarHBondContact O-N 3.34Å; T345-R349 PolarHBondContact O-NH1 3.24Å | ||
| 346 | A | 95.3 | Very high | 95.9 | Very high | 46 Ų | 46 | 75.1 Ų | 75.1 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.9 | -57.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q348 R349 E350 | A346-Q348 VanDerWaalsContact C-N 3.31Å; A346-Q348 PolarHBondContact O-N 3.22Å; A346-R349 WeakPolarHBondContact O-CB 3.48Å; A346-R349 PolarHBondContact O-N 2.92Å; A346-E350 PolarHBondContact O-N 3.24Å; A346-E350 VanDerWaalsContact O-N 3.08Å |
| 347 | E | 96.1 | Very high | 95.9 | Very high | 152 Ų | 152 | 78.4 Ų | 78.4 | 71% | 0.71 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -48.2 | -48.8 | 176.5 | -62.6 | 149.3 | -174.8 | 0 | 0 | 112.3 | R349 E350 E351 | E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 3.46Å; E347-E350 PolarHBondContact O-N 3.27Å; E347-E351 WeakPolarHBondContact O-CB 3.18Å; E347-E351 PolarHBondContact O-N 3.42Å |
| 348 | Q | 95.6 | Very high | 96 | Very high | 84 Ų | 84 | 80.8 Ų | 80.8 | 39% | 0.393 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.4 | -30 | 179.2 | -74.4 | 172.6 | -18.1 | 0 | 0 | 113.7 | L344 T345 A346 V352 | L344-Q348 HydrophobicContact CB-CB 4.34Å; T345-Q348 WeakPolarHBondContact OG1-CB 3.22Å; T345-Q348 VanDerWaalsContact OG1-CG 3.28Å; T345-Q348 WeakPolarHBondContact OG1-CG 3.4Å; T345-Q348 PolarHBondContact OG1-N 2.96Å; A346-Q348 VanDerWaalsContact C-N 3.31Å; A346-Q348 PolarHBondContact O-N 3.22Å; Q348-V352 VanDerWaalsContact O-CB 3.3Å; Q348-V352 WeakPolarHBondContact O-CB 3.5Å; Q348-V352 WeakPolarHBondContact O-CG2 3.21Å; Q348-V352 PolarHBondContact O-N 3.26Å; Q348-V352 VanDerWaalsContact O-N 3.15Å |
| 349 | R | 96.3 | Very high | 96 | Very high | 57 Ų | 57 | 74.8 Ų | 74.8 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -78.6 | -35.2 | 176.3 | -67.9 | 179.7 | -41.8 | -106.4 | 3.3 | 111.5 | V333 L344 T345 A346 E347 A353 | V333-R349 HydrophobicContact CG1-CB 3.89Å; V333-R349 HydrophobicContact CG1-CG 4.11Å; L344-R349 HydrophobicContact CB-CG 3.66Å; L344-R349 HydrophobicContact CD1-CG 4.17Å; L344-R349 PolarHBondContact O-NH1 3.36Å; T345-R349 VanDerWaalsContact C-NH1 3.32Å; T345-R349 VanDerWaalsContact O-CG 3.28Å; T345-R349 WeakPolarHBondContact O-CG 3.45Å; T345-R349 VanDerWaalsContact O-CZ 3.28Å; T345-R349 PolarHBondContact O-N 3.34Å; T345-R349 PolarHBondContact O-NH1 3.24Å; A346-R349 WeakPolarHBondContact O-CB 3.48Å; A346-R349 PolarHBondContact O-N 2.92Å; E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 3.46Å; R349-A353 WeakPolarHBondContact O-CB 3.37Å; R349-A353 PolarHBondContact O-N 2.97Å |
| 350 | E | 97 | Very high | 96 | Very high | 78 Ų | 78 | 65.6 Ų | 65.6 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.5 | -39.6 | 176.8 | -70.2 | 159.4 | -141.1 | 0 | 0 | 111.3 | L330 A346 E347 A353 R354 | L330-E350 HydrophobicContact CD1-CG 4.05Å; L330-E350 HydrophobicContact CD2-CG 4.49Å; A346-E350 PolarHBondContact O-N 3.24Å; A346-E350 VanDerWaalsContact O-N 3.08Å; E347-E350 PolarHBondContact O-N 3.27Å; E350-A353 PolarHBondContact O-N 3.1Å; E350-R354 VanDerWaalsContact O-CB 3.25Å; E350-R354 WeakPolarHBondContact O-CB 3.46Å; E350-R354 PolarHBondContact O-N 3.39Å |
| 351 | E | 97 | Very high | 96 | Very high | 103 Ų | 103 | 62.6 Ų | 62.6 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.8 | -56.9 | 170.1 | -177.6 | 172.8 | -124.8 | 0 | 0 | 111.2 | E347 A353 R354 E355 | E347-E351 WeakPolarHBondContact O-CB 3.18Å; E347-E351 PolarHBondContact O-N 3.42Å; E351-A353 VanDerWaalsContact C-N 3.29Å; E351-A353 PolarHBondContact O-N 3.19Å; E351-R354 PolarHBondContact O-N 2.97Å; E351-R354 VanDerWaalsContact O-N 3.11Å; E351-E355 PolarHBondContact O-N 2.83Å |
| 352 | V | 96.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.2 | -37.4 | 177.3 | 167.2 | 0 | 0 | 0 | 0 | 112.3 | T301 I306 V333 Q348 A356 | T301-V352 HydrophobicContact CG2-CG1 3.58Å; I306-V352 HydrophobicContact CD1-CG1 4.37Å; V333-V352 HydrophobicContact CG1-CG1 4.22Å; V333-V352 HydrophobicContact CG2-CG1 4.18Å; Q348-V352 VanDerWaalsContact O-CB 3.3Å; Q348-V352 WeakPolarHBondContact O-CB 3.5Å; Q348-V352 WeakPolarHBondContact O-CG2 3.21Å; Q348-V352 PolarHBondContact O-N 3.26Å; Q348-V352 VanDerWaalsContact O-N 3.15Å; V352-A356 WeakPolarHBondContact O-CB 3.5Å; V352-A356 PolarHBondContact O-N 3.09Å |
| 353 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.9 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y326 L330 V333 R349 E350 E351 A356 F357 | Y326-A353 HydrophobicContact CE2-CB 3.99Å; L330-A353 HydrophobicContact CB-CB 3.87Å; L330-A353 HydrophobicContact CD1-CB 3.68Å; L330-A353 HydrophobicContact CG-CB 4.39Å; V333-A353 HydrophobicContact CB-CB 4.48Å; V333-A353 HydrophobicContact CG2-CB 4.1Å; R349-A353 WeakPolarHBondContact O-CB 3.37Å; R349-A353 PolarHBondContact O-N 2.97Å; E350-A353 PolarHBondContact O-N 3.1Å; E351-A353 VanDerWaalsContact C-N 3.29Å; E351-A353 PolarHBondContact O-N 3.19Å; A353-A356 PolarHBondContact O-N 3.06Å; A353-F357 WeakPolarHBondContact O-CB 3.49Å; A353-F357 PolarHBondContact O-N 3.13Å |
| 354 | R | 97.8 | Very high | 96.4 | Very high | 137 Ų | 137 | 63.3 Ų | 63.3 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 179.6 | -168.1 | -169.4 | -52 | 127.7 | 6.7 | 111.4 | Y326 E350 E351 T358 | Y326-R354 HydrophobicContact CE2-CB 4.11Å; E350-R354 VanDerWaalsContact O-CB 3.25Å; E350-R354 WeakPolarHBondContact O-CB 3.46Å; E350-R354 PolarHBondContact O-N 3.39Å; E351-R354 PolarHBondContact O-N 2.97Å; E351-R354 VanDerWaalsContact O-N 3.11Å; R354-T358 WeakPolarHBondContact O-CB 3.24Å; R354-T358 PolarHBondContact O-N 3.2Å; R354-T358 PolarHBondContact O-OG1 2.86Å |
| 355 | E | 97.5 | Very high | 96.5 | Very high | 122 Ų | 122 | 69.5 Ų | 69.5 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.5 | -50.8 | 171.9 | -69.6 | -174.4 | 154 | 0 | 0 | 110.9 | E351 F357 T358 E359 | E351-E355 PolarHBondContact O-N 2.83Å; E355-F357 PolarHBondContact O-N 3.46Å; E355-T358 PolarHBondContact O-N 3.25Å; E355-E359 WeakPolarHBondContact O-CB 3.38Å; E355-E359 PolarHBondContact O-N 3.4Å |
| 356 | A | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y298 I310 I329 V352 A353 E359 T360 | Y298-A356 HydrophobicContact CE2-CB 4.44Å; Y298-A356 VanDerWaalsContact OH-CB 3.25Å; Y298-A356 WeakPolarHBondContact OH-CB 3.24Å; I310-A356 HydrophobicContact CD1-CB 3.67Å; I329-A356 HydrophobicContact CG2-CB 3.96Å; V352-A356 WeakPolarHBondContact O-CB 3.5Å; V352-A356 PolarHBondContact O-N 3.09Å; A353-A356 PolarHBondContact O-N 3.06Å; A356-E359 PolarHBondContact O-N 3.42Å; A356-T360 WeakPolarHBondContact O-CB 3.32Å; A356-T360 WeakPolarHBondContact O-CG2 3.45Å; A356-T360 PolarHBondContact O-N 2.83Å; A356-T360 PolarHBondContact O-OG1 3.3Å |
| 357 | F | 97.9 | Very high | 96.5 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 31% | 0.311 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 175.5 | 170.3 | -109.8 | 0 | 0 | 0 | 110.9 | P324 Y326 I329 A353 E355 E359 T360 G361 | P324-F357 WeakPolarHBondContact O-CE2 3.28Å; Y326-F357 HydrophobicContact CD2-CB 4.23Å; Y326-F357 HydrophobicContact CD2-CD1 4.27Å; Y326-F357 HydrophobicContact CD2-CG 4.32Å; I329-F357 HydrophobicContact CB-CB 4.23Å; I329-F357 HydrophobicContact CG1-CB 4.18Å; I329-F357 HydrophobicContact CG1-CD2 4.09Å; I329-F357 HydrophobicContact CG2-CB 4.19Å; A353-F357 WeakPolarHBondContact O-CB 3.49Å; A353-F357 PolarHBondContact O-N 3.13Å; E355-F357 PolarHBondContact O-N 3.46Å; F357-E359 VanDerWaalsContact C-N 3.33Å; F357-E359 PolarHBondContact O-N 3.36Å; F357-T360 PolarHBondContact O-N 2.98Å; F357-T360 PolarHBondContact O-OG1 3.19Å; F357-G361 PolarHBondContact O-N 2.96Å |
| 358 | T | 97.2 | Very high | 96.4 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 43% | 0.429 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 177 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | R354 E355 K362 | R354-T358 WeakPolarHBondContact O-CB 3.24Å; R354-T358 PolarHBondContact O-N 3.2Å; R354-T358 PolarHBondContact O-OG1 2.86Å; E355-T358 PolarHBondContact O-N 3.25Å; T358-K362 WeakPolarHBondContact O-CG 3.24Å; T358-K362 PolarHBondContact O-N 2.85Å |
| 359 | E | 96.6 | Very high | 96.5 | Very high | 57 Ų | 57 | 67.9 Ų | 67.9 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.9 | -41 | -179.1 | -176.1 | 174.9 | -160.9 | 0 | 0 | 112.9 | Y298 G300 E355 A356 F357 R363 | Y298-E359 HydrophobicContact CE2-CB 4.29Å; Y298-E359 HydrophobicContact CE2-CG 4.21Å; Y298-E359 WeakPolarHBondContact CE2-OE2 3.43Å; G300-E359 VanDerWaalsContact CA-OE2 3.23Å; G300-E359 WeakPolarHBondContact CA-OE2 3.45Å; E355-E359 WeakPolarHBondContact O-CB 3.38Å; E355-E359 PolarHBondContact O-N 3.4Å; A356-E359 PolarHBondContact O-N 3.42Å; F357-E359 VanDerWaalsContact C-N 3.33Å; F357-E359 PolarHBondContact O-N 3.36Å; E359-R363 PolarHBondContact O-N 3.12Å; E359-R363 PolarHBondContact O-NH1 2.96Å; E359-R363 IonicContact OE1-CZ 3.21Å; E359-R363 IonicContact OE1-NH1 2.85Å; E359-R363 PolarHBondContact OE1-NH1 2.77Å; E359-R363 IonicContact OE1-NH2 2.76Å; E359-R363 PolarHBondContact OE1-NH2 3.21Å |
| 360 | T | 95.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -77 | -40.2 | -179.7 | 52 | 0 | 0 | 0 | 0 | 112.3 | Y298 I310 I314 A356 F357 K362 R363 V364 | Y298-T360 HydrophobicContact CD2-CG2 3.42Å; Y298-T360 VanDerWaalsContact CD2-CG2 3.42Å; Y298-T360 HydrophobicContact CE2-CG2 3.81Å; Y298-T360 HydrophobicContact CG-CG2 3.96Å; I310-T360 HydrophobicContact CG2-CG2 3.76Å; I314-T360 HydrophobicContact CD1-CG2 3.67Å; I314-T360 HydrophobicContact CG2-CG2 4.23Å; A356-T360 WeakPolarHBondContact O-CB 3.32Å; A356-T360 WeakPolarHBondContact O-CG2 3.45Å; A356-T360 PolarHBondContact O-N 2.83Å; A356-T360 PolarHBondContact O-OG1 3.3Å; F357-T360 PolarHBondContact O-N 2.98Å; F357-T360 PolarHBondContact O-OG1 3.19Å; T360-K362 VanDerWaalsContact C-N 3.31Å; T360-K362 PolarHBondContact O-N 2.8Å; T360-R363 PolarHBondContact O-N 3.41Å; T360-R363 VanDerWaalsContact O-N 3.1Å; T360-V364 WeakPolarHBondContact O-CG2 3.39Å; T360-V364 PolarHBondContact O-N 3.48Å |
| 361 | G | 95.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 64.7 Ų | 64.7 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.1 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | F357 R363 V364 Q365 | F357-G361 PolarHBondContact O-N 2.96Å; G361-R363 PolarHBondContact O-N 3.45Å; G361-V364 PolarHBondContact O-N 3.02Å; G361-Q365 WeakPolarHBondContact O-CB 3.35Å; G361-Q365 PolarHBondContact O-N 2.98Å |
| 362 | K | 96.1 | Very high | 96.5 | Very high | 134 Ų | 134 | 64.6 Ų | 64.6 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -57.6 | -46.1 | 173.4 | -75 | 177.1 | 180 | -174.1 | 0 | 112.8 | T358 T360 Q365 E366 | T358-K362 WeakPolarHBondContact O-CG 3.24Å; T358-K362 PolarHBondContact O-N 2.85Å; T360-K362 VanDerWaalsContact C-N 3.31Å; T360-K362 PolarHBondContact O-N 2.8Å; K362-Q365 PolarHBondContact O-N 2.63Å; K362-E366 VanDerWaalsContact O-CB 3.25Å; K362-E366 WeakPolarHBondContact O-CB 3.16Å; K362-E366 PolarHBondContact O-N 2.97Å |
| 363 | R | 95.7 | Very high | 96.4 | Very high | 86 Ų | 86 | 67.8 Ų | 67.8 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.8 | -32 | 178.5 | -75.9 | -179.4 | 177.5 | 77.7 | -24.7 | 113.4 | I296 E359 T360 G361 R367 | I296-R363 HydrophobicContact CD1-CB 4.34Å; I296-R363 HydrophobicContact CG2-CB 3.91Å; E359-R363 PolarHBondContact O-N 3.12Å; E359-R363 PolarHBondContact O-NH1 2.96Å; E359-R363 IonicContact OE1-CZ 3.21Å; E359-R363 IonicContact OE1-NH1 2.85Å; E359-R363 PolarHBondContact OE1-NH1 2.77Å; E359-R363 IonicContact OE1-NH2 2.76Å; E359-R363 PolarHBondContact OE1-NH2 3.21Å; T360-R363 PolarHBondContact O-N 3.41Å; T360-R363 VanDerWaalsContact O-N 3.1Å; G361-R363 PolarHBondContact O-N 3.45Å; R363-R367 VanDerWaalsContact O-CB 3.27Å; R363-R367 WeakPolarHBondContact O-CB 3.15Å; R363-R367 PolarHBondContact O-N 3.43Å |
| 364 | V | 95.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 75.5 Ų | 75.5 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | I296 P323 T360 G361 R367 R368 | I296-V364 HydrophobicContact CD1-CB 4.41Å; I296-V364 HydrophobicContact CD1-CG2 3.67Å; P323-V364 HydrophobicContact CB-CG1 4.42Å; T360-V364 WeakPolarHBondContact O-CG2 3.39Å; T360-V364 PolarHBondContact O-N 3.48Å; G361-V364 PolarHBondContact O-N 3.02Å; V364-R367 PolarHBondContact O-N 2.86Å; V364-R368 PolarHBondContact O-N 2.71Å |
| 365 | Q | 95.4 | Very high | 96.3 | Very high | 141 Ų | 141 | 73.3 Ų | 73.3 | 66% | 0.659 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63 | -47 | 173.8 | -174.6 | 179.8 | 34.5 | 0 | 0 | 111.7 | G361 K362 R368 H369 | G361-Q365 WeakPolarHBondContact O-CB 3.35Å; G361-Q365 PolarHBondContact O-N 2.98Å; K362-Q365 PolarHBondContact O-N 2.63Å; Q365-R368 PolarHBondContact O-N 2.77Å; Q365-H369 WeakPolarHBondContact O-CB 3.48Å; Q365-H369 PolarHBondContact O-N 3.07Å |
| 366 | E | 95.9 | Very high | 96.2 | Very high | 108 Ų | 108 | 74.4 Ų | 74.4 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 175.4 | -177.6 | 178.3 | -154.3 | 0 | 0 | 111.5 | K362 R368 H369 L370 | K362-E366 VanDerWaalsContact O-CB 3.25Å; K362-E366 WeakPolarHBondContact O-CB 3.16Å; K362-E366 PolarHBondContact O-N 2.97Å; E366-R368 PolarHBondContact O-N 2.95Å; E366-H369 PolarHBondContact O-N 3.24Å; E366-L370 HydrophobicContact CG-CD1 4.19Å; E366-L370 WeakPolarHBondContact O-CB 3.48Å; E366-L370 WeakPolarHBondContact O-CG 3.45Å; E366-L370 PolarHBondContact O-N 2.94Å |
| 367 | R | 95.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 76.8 Ų | 76.8 | 6% | 0.06 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 175.3 | -171.2 | 177.8 | 66.9 | -175.7 | -4.7 | 111.9 | V291 I292 Q294 I296 N315 R363 V364 D371 | V291-R367 HydrophobicContact CG1-CG 4.09Å; V291-R367 VanDerWaalsContact O-CD 3.23Å; V291-R367 WeakPolarHBondContact O-CD 3.48Å; V291-R367 WeakPolarHBondContact O-CG 3.44Å; I292-R367 PolarHBondContact O-NE 3.31Å; I292-R367 PolarHBondContact O-NH1 3.1Å; Q294-R367 WeakPolarHBondContact O-CD 3.44Å; Q294-R367 PolarHBondContact O-NH1 2.88Å; I296-R367 HydrophobicContact CD1-CB 4.28Å; N315-R367 PolarHBondContact OD1-NH1 3.49Å; N315-R367 VanDerWaalsContact OD1-NH1 3.11Å; R363-R367 VanDerWaalsContact O-CB 3.27Å; R363-R367 WeakPolarHBondContact O-CB 3.15Å; R363-R367 PolarHBondContact O-N 3.43Å; V364-R367 PolarHBondContact O-N 2.86Å; R367-D371 WeakPolarHBondContact O-CB 3.46Å; R367-D371 PolarHBondContact O-N 3.02Å |
| 368 | R | 95.2 | Very high | 96 | Very high | 95 Ų | 95 | 74.6 Ų | 74.6 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 176.1 | -77 | -175.4 | 174 | -171.9 | -0.4 | 112.5 | Q320 N321 V364 Q365 E366 D371 L372 | Q320-R368 PolarHBondContact O-NH2 2.86Å; N321-R368 PolarHBondContact O-NH2 3.28Å; V364-R368 PolarHBondContact O-N 2.71Å; Q365-R368 PolarHBondContact O-N 2.77Å; E366-R368 PolarHBondContact O-N 2.95Å; R368-D371 PolarHBondContact O-N 3.41Å; R368-L372 PolarHBondContact O-N 3.41Å |
| 369 | H | 96.4 | Very high | 95.8 | Very high | 92 Ų | 92 | 76.1 Ų | 76.1 | 43% | 0.426 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | 178 | 177.3 | 55.1 | 0 | 0 | 0 | 112.1 | Q365 E366 D371 L372 V373 | Q365-H369 WeakPolarHBondContact O-CB 3.48Å; Q365-H369 PolarHBondContact O-N 3.07Å; E366-H369 PolarHBondContact O-N 3.24Å; H369-D371 VanDerWaalsContact C-N 3.35Å; H369-L372 PolarHBondContact O-N 2.94Å; H369-V373 VanDerWaalsContact O-CG2 3.32Å; H369-V373 WeakPolarHBondContact O-CG2 3.39Å; H369-V373 PolarHBondContact O-N 3.36Å |
| 370 | L | 97.3 | Very high | 95.8 | Very high | 59 Ų | 59 | 77.4 Ų | 77.4 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 174.2 | -70.7 | 170.8 | 0 | 0 | 0 | 111.9 | V291 E366 V373 Y374 | V291-L370 HydrophobicContact CG1-CB 3.9Å; E366-L370 HydrophobicContact CG-CD1 4.19Å; E366-L370 WeakPolarHBondContact O-CB 3.48Å; E366-L370 WeakPolarHBondContact O-CG 3.45Å; E366-L370 PolarHBondContact O-N 2.94Å; L370-V373 PolarHBondContact O-N 2.97Å; L370-Y374 WeakPolarHBondContact O-CB 3.29Å; L370-Y374 PolarHBondContact O-N 3.34Å |
| 371 | D | 96.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 80.1 Ų | 80.1 | 5% | 0.048 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.4 | -159.7 | 77.3 | 0 | 0 | 0 | 111.9 | R290 V291 I292 R367 R368 H369 N375 | R290-D371 WeakPolarHBondContact CB-OD1 3.47Å; R290-D371 IonicContact CZ-OD2 3.53Å; R290-D371 VanDerWaalsContact CZ-OD2 3.3Å; R290-D371 IonicContact NE-OD1 3.08Å; R290-D371 IonicContact NE-OD2 3.57Å; R290-D371 PolarHBondContact NE-OD2 2.7Å; R290-D371 IonicContact NH2-OD2 2.64Å; R290-D371 PolarHBondContact NH2-OD2 3.05Å; V291-D371 WeakPolarHBondContact CA-OD1 3.43Å; V291-D371 HydrophobicContact CB-CB 3.89Å; V291-D371 WeakPolarHBondContact CB-OD1 3.19Å; V291-D371 PolarHBondContact N-OD1 3.07Å; I292-D371 HydrophobicContact CG2-CB 3.86Å; I292-D371 PolarHBondContact N-OD1 2.97Å; R367-D371 WeakPolarHBondContact O-CB 3.46Å; R367-D371 PolarHBondContact O-N 3.02Å; R368-D371 PolarHBondContact O-N 3.41Å; H369-D371 VanDerWaalsContact C-N 3.35Å; D371-N375 WeakPolarHBondContact O-CB 3.4Å; D371-N375 PolarHBondContact O-N 2.94Å; D371-N375 VanDerWaalsContact O-N 3.13Å; D371-N375 PolarHBondContact O-ND2 2.83Å |
| 372 | L | 96.5 | Very high | 95.8 | Very high | 101 Ų | 101 | 84.4 Ų | 84.4 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.3 | -55.4 | 171.6 | 178.6 | 63.6 | 0 | 0 | 0 | 110.5 | R368 H369 Y374 N375 F376 | R368-L372 PolarHBondContact O-N 3.41Å; H369-L372 PolarHBondContact O-N 2.94Å; L372-Y374 VanDerWaalsContact C-N 3.28Å; L372-Y374 PolarHBondContact O-N 3.07Å; L372-N375 CarbonylContact O-C 3.53Å; L372-N375 PolarHBondContact O-N 2.85Å; L372-N375 VanDerWaalsContact O-N 3.14Å; L372-F376 HydrophobicContact CD1-CB 4.5Å; L372-F376 HydrophobicContact CD1-CD2 3.92Å; L372-F376 WeakPolarHBondContact O-CB 3.46Å; L372-F376 PolarHBondContact O-N 3.39Å |
| 373 | V | 95.9 | Very high | 95.8 | Very high | 83 Ų | 83 | 83.3 Ų | 83.3 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.5 | -32.8 | -174.8 | 170.3 | 0 | 0 | 0 | 0 | 113.2 | H369 L370 | H369-V373 VanDerWaalsContact O-CG2 3.32Å; H369-V373 WeakPolarHBondContact O-CG2 3.39Å; H369-V373 PolarHBondContact O-N 3.36Å; L370-V373 PolarHBondContact O-N 2.97Å |
| 374 | Y | 96.3 | Very high | 95.8 | Very high | 163 Ų | 163 | 87 Ų | 87 | 64% | 0.639 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -87.6 | -14.8 | 178.6 | -64.5 | -12.3 | 0 | 0 | 0 | 114.6 | V291 L370 L372 | V291-Y374 HydrophobicContact CG2-CD2 3.5Å; V291-Y374 HydrophobicContact CG2-CE2 4.1Å; V291-Y374 HydrophobicContact CG2-CG 4.43Å; L370-Y374 WeakPolarHBondContact O-CB 3.29Å; L370-Y374 PolarHBondContact O-N 3.34Å; L372-Y374 VanDerWaalsContact C-N 3.28Å; L372-Y374 PolarHBondContact O-N 3.07Å |
| 375 | N | 95.8 | Very high | 95.8 | Very high | 90 Ų | 90 | 93 Ų | 93 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -124.1 | 20.9 | -177.7 | -55.5 | -88.9 | 0 | 0 | 0 | 112.7 | D371 L372 | D371-N375 WeakPolarHBondContact O-CB 3.4Å; D371-N375 PolarHBondContact O-N 2.94Å; D371-N375 VanDerWaalsContact O-N 3.13Å; D371-N375 PolarHBondContact O-ND2 2.83Å; L372-N375 CarbonylContact O-C 3.53Å; L372-N375 PolarHBondContact O-N 2.85Å; L372-N375 VanDerWaalsContact O-N 3.14Å |
| 376 | F | 96.6 | Very high | 95.8 | Very high | 145 Ų | 145 | 90.5 Ų | 90.5 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | trans | -87.1 | 134.1 | -177.5 | -178.9 | -99.9 | 0 | 0 | 0 | 112.9 | L372 | L372-F376 HydrophobicContact CD1-CB 4.5Å; L372-F376 HydrophobicContact CD1-CD2 3.92Å; L372-F376 WeakPolarHBondContact O-CB 3.46Å; L372-F376 PolarHBondContact O-N 3.39Å | ||
| 377 | G | 95.2 | Very high | 95.9 | Very high | 51 Ų | 51 | 89.8 Ų | 89.8 | 53% | 0.526 | 47% | 0.465 | S | S | . | . | S | Bend | trans | 83.2 | -137.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113.8 | T381 | G377-T381 WeakPolarHBondContact CA-OG1 3.31Š|
| 378 | S | 94.6 | Very high | 95.9 | Very high | 25 Ų | 25 | 93.9 Ų | 93.9 | 18% | 0.175 | 49% | 0.493 | C | S | . | . | trans | -157.6 | -173.9 | -175.9 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | Q245 L380 T381 D382 | Q245-S378 PolarHBondContact OE1-OG 3.26Å; S378-L380 PolarHBondContact O-N 3.3Å; S378-L380 PolarHBondContact OG-N 3.5Å; S378-T381 PolarHBondContact N-OG1 3.46Å; S378-T381 PolarHBondContact O-N 3.16Å; S378-T381 PolarHBondContact O-OG1 3.31Å; S378-D382 PolarHBondContact O-N 3.32Å; S378-D382 VanDerWaalsContact O-N 3.12Å | ||
| 379 | R | 94.1 | Very high | 96 | Very high | 102 Ų | 102 | 92.6 Ų | 92.6 | 39% | 0.385 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -23.6 | 171.6 | -60 | -173.9 | -170.3 | 171.1 | 0.2 | 113.8 | N238 D239 Y242 D382 | N238-R379 PolarHBondContact OD1-NH2 2.87Å; D239-R379 IonicContact OD1-CZ 3.25Å; D239-R379 IonicContact OD1-NH1 2.83Å; D239-R379 PolarHBondContact OD1-NH1 3.37Å; D239-R379 IonicContact OD1-NH2 2.72Å; D239-R379 PolarHBondContact OD1-NH2 2.96Å; D239-R379 VanDerWaalsContact OD1-NH2 3.08Å; Y242-R379 HydrophobicContact CD2-CB 3.99Å; Y242-R379 HydrophobicContact CD2-CG 4.21Å; Y242-R379 HydrophobicContact CE2-CB 3.75Å; Y242-R379 HydrophobicContact CE2-CG 4.38Å; R379-D382 WeakPolarHBondContact CA-OD2 3.48Å |
| 380 | L | 95.4 | Very high | 96.1 | Very high | 83 Ų | 83 | 92.1 Ų | 92.1 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -31.6 | 176.6 | -57.4 | -179.1 | 0 | 0 | 0 | 113 | Y242 Q245 Q246 S378 | Y242-L380 HydrophobicContact CE2-CD2 4.04Å; Q245-L380 VanDerWaalsContact O-CD1 3.31Å; Q245-L380 WeakPolarHBondContact O-CD1 3.49Å; Q246-L380 HydrophobicContact CG-CD1 4.27Å; Q246-L380 HydrophobicContact CG-CD2 4.04Å; S378-L380 PolarHBondContact O-N 3.3Å; S378-L380 PolarHBondContact OG-N 3.5Å |
| 381 | T | 96.3 | Very high | 96.1 | Very high | 59 Ų | 59 | 89.3 Ų | 89.3 | 36% | 0.362 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -17.2 | -178.9 | 51 | 0 | 0 | 0 | 0 | 114 | G377 S378 T383 Y384 | G377-T381 WeakPolarHBondContact CA-OG1 3.31Å; S378-T381 PolarHBondContact N-OG1 3.46Å; S378-T381 PolarHBondContact O-N 3.16Å; S378-T381 PolarHBondContact O-OG1 3.31Å; T381-T383 PolarHBondContact O-N 2.75Å; T381-Y384 WeakPolarHBondContact O-CB 2.95Å; T381-Y384 PolarHBondContact O-N 2.95Å |
| 382 | D | 95.6 | Very high | 96.1 | Very high | 122 Ų | 122 | 94.3 Ų | 94.3 | 65% | 0.652 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -25.7 | 179.2 | -70.9 | -10.4 | 0 | 0 | 0 | 114.5 | S378 R379 | S378-D382 PolarHBondContact O-N 3.32Å; S378-D382 VanDerWaalsContact O-N 3.12Å; R379-D382 WeakPolarHBondContact CA-OD2 3.48Å |
| 383 | T | 95.9 | Very high | 96.1 | Very high | 111 Ų | 111 | 95.6 Ų | 95.6 | 68% | 0.681 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -2.4 | 179.9 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | T381 | T381-T383 PolarHBondContact O-N 2.75Š|
| 384 | Y | 96.1 | Very high | 96.3 | Very high | 164 Ų | 164 | 94.8 Ų | 94.8 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | trans | -56.7 | 133.4 | -177.3 | 171.8 | -101.3 | 0 | 0 | 0 | 112.9 | T381 P386 | T381-Y384 WeakPolarHBondContact O-CB 2.95Å; T381-Y384 PolarHBondContact O-N 2.95Å; Y384-P386 HydrophobicContact CE1-CG 3.85Å | ||
| 385 | K | 95.7 | Very high | 96.3 | Very high | 133 Ų | 133 | 89.9 Ų | 89.9 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | trans | -140.7 | 125.2 | 175.9 | -68.2 | 169.8 | -168.8 | 168.9 | 0 | 108.6 | A387 T388 | K385-A387 PolarHBondContact O-N 3.34Å; K385-A387 VanDerWaalsContact O-N 3.15Å; K385-T388 WeakPolarHBondContact O-CB 2.82Å; K385-T388 PolarHBondContact O-N 2.93Å | ||
| 386 | P | 95.6 | Very high | 96.4 | Very high | 90 Ų | 90 | 90.2 Ų | 90.2 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -55.3 | -34 | 178.4 | -28.2 | 34.7 | 0 | 0 | 0 | 113.7 | Y384 T388 D389 | Y384-P386 HydrophobicContact CE1-CG 3.85Å; P386-T388 PolarHBondContact O-N 3.12Å; P386-T388 VanDerWaalsContact O-N 3.13Å; P386-D389 PolarHBondContact O-N 3.35Å |
| 387 | A | 96.5 | Very high | 96.5 | Very high | 92 Ų | 92 | 86.4 Ų | 86.4 | 76% | 0.76 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -71 | 1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K385 | K385-A387 PolarHBondContact O-N 3.34Å; K385-A387 VanDerWaalsContact O-N 3.15Å |
| 388 | T | 96.8 | Very high | 96.7 | Very high | 103 Ų | 103 | 86 Ų | 86 | 63% | 0.632 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -112.4 | 6.6 | 178.6 | -49.7 | 0 | 0 | 0 | 0 | 112 | K385 P386 P390 | K385-T388 WeakPolarHBondContact O-CB 2.82Å; K385-T388 PolarHBondContact O-N 2.93Å; P386-T388 PolarHBondContact O-N 3.12Å; P386-T388 VanDerWaalsContact O-N 3.13Å; T388-P390 WeakPolarHBondContact O-CD 3.34Å |
| 389 | D | 97.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 91.4 Ų | 91.4 | 36% | 0.358 | 50% | 0.501 | S | S | . | . | trans | -59.4 | 119.4 | 171.7 | 176.3 | 2.7 | 0 | 0 | 0 | 111.2 | P386 A391 L392 | P386-D389 PolarHBondContact O-N 3.35Å; D389-A391 PolarHBondContact O-N 3.13Å; D389-A391 VanDerWaalsContact O-N 3.13Å; D389-A391 VanDerWaalsContact OD1-CB 3.28Å; D389-A391 WeakPolarHBondContact OD1-CB 3.36Å; D389-A391 PolarHBondContact OD1-N 3.29Å; D389-L392 HydrophobicContact CB-CD1 4.21Å; D389-L392 HydrophobicContact CB-CG 4.13Å; D389-L392 WeakPolarHBondContact O-CB 3.33Å; D389-L392 WeakPolarHBondContact O-CG 3.41Å; D389-L392 PolarHBondContact O-N 3.04Å; D389-L392 VanDerWaalsContact O-N 3.09Å | ||
| 390 | P | 97.9 | Very high | 97 | Very high | 82 Ų | 82 | 92.3 Ų | 92.3 | 53% | 0.532 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -55.7 | -28.5 | 177.6 | -26.3 | 35.8 | 0 | 0 | 0 | 114.2 | T388 L392 T393 D394 L397 | T388-P390 WeakPolarHBondContact O-CD 3.34Å; P390-L392 PolarHBondContact O-N 2.76Å; P390-T393 PolarHBondContact O-N 2.98Å; P390-T393 PolarHBondContact O-OG1 2.96Å; P390-D394 PolarHBondContact O-N 3.43Å; P390-L397 HydrophobicContact CB-CD2 4.12Å |
| 391 | A | 97.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 91.7 Ų | 91.7 | 1% | 0.008 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | -64.7 | -21.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D389 T393 L397 L398 L401 | D389-A391 PolarHBondContact O-N 3.13Å; D389-A391 VanDerWaalsContact O-N 3.13Å; D389-A391 VanDerWaalsContact OD1-CB 3.28Å; D389-A391 WeakPolarHBondContact OD1-CB 3.36Å; D389-A391 PolarHBondContact OD1-N 3.29Å; A391-T393 PolarHBondContact O-N 2.68Å; A391-L397 HydrophobicContact CB-CD2 4Å; A391-L397 HydrophobicContact CB-CG 3.96Å; A391-L398 HydrophobicContact CB-CD1 4Å; A391-L401 HydrophobicContact CB-CD1 3.67Å |
| 392 | L | 96.9 | Very high | 97.3 | Very high | 114 Ų | 114 | 92.9 Ų | 92.9 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -66.1 | -19.7 | 171.2 | -59.8 | 175.3 | 0 | 0 | 0 | 112.4 | D389 P390 | D389-L392 HydrophobicContact CB-CD1 4.21Å; D389-L392 HydrophobicContact CB-CG 4.13Å; D389-L392 WeakPolarHBondContact O-CB 3.33Å; D389-L392 WeakPolarHBondContact O-CG 3.41Å; D389-L392 PolarHBondContact O-N 3.04Å; D389-L392 VanDerWaalsContact O-N 3.09Å; P390-L392 PolarHBondContact O-N 2.76Å |
| 393 | T | 97.4 | Very high | 97.4 | Very high | 127 Ų | 127 | 90 Ų | 90 | 78% | 0.779 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -38.3 | -179.8 | 66.7 | 0 | 0 | 0 | 0 | 113.4 | P390 A391 | P390-T393 PolarHBondContact O-N 2.98Å; P390-T393 PolarHBondContact O-OG1 2.96Å; A391-T393 PolarHBondContact O-N 2.68Å |
| 394 | D | 98.1 | Very high | 97.5 | Very high | 66 Ų | 66 | 87.9 Ų | 87.9 | 35% | 0.353 | 48% | 0.476 | S | S | . | . | trans | -95.6 | 106 | 174.1 | 177.8 | 27.8 | 0 | 0 | 0 | 112.5 | P390 T396 L397 L398 | P390-D394 PolarHBondContact O-N 3.43Å; D394-T396 PolarHBondContact O-N 2.61Å; D394-T396 VanDerWaalsContact O-N 3.12Å; D394-T396 WeakPolarHBondContact OD1-CA 3.41Å; D394-T396 WeakPolarHBondContact OD1-CB 3.39Å; D394-T396 PolarHBondContact OD1-N 3.01Å; D394-T396 PolarHBondContact OD1-OG1 3.18Å; D394-T396 WeakPolarHBondContact OD2-CB 3.3Å; D394-L397 HydrophobicContact CB-CB 4.07Å; D394-L397 PolarHBondContact O-N 3.42Å; D394-L397 VanDerWaalsContact OD2-CB 3.22Å; D394-L397 WeakPolarHBondContact OD2-CB 3.39Å; D394-L397 PolarHBondContact OD2-N 3.11Å; D394-L398 WeakPolarHBondContact O-CB 3.42Å; D394-L398 PolarHBondContact O-N 3.46Å | ||
| 395 | S | 97.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 87 Ų | 87 | 43% | 0.427 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.9 | -17.5 | 174.4 | 81.7 | 0 | 0 | 0 | 0 | 114.3 | K399 | S395-K399 WeakPolarHBondContact O-CB 3.4Å; S395-K399 VanDerWaalsContact O-CD 3.24Å; S395-K399 WeakPolarHBondContact O-CD 3.48Å; S395-K399 WeakPolarHBondContact O-CG 3.41Å; S395-K399 PolarHBondContact O-N 3.2Å; S395-K399 VanDerWaalsContact O-N 3.11Å |
| 396 | T | 98.4 | Very high | 97.7 | Very high | 97 Ų | 97 | 85.2 Ų | 85.2 | 60% | 0.595 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -78.5 | -52.7 | 179.1 | -37.6 | 0 | 0 | 0 | 0 | 110.1 | D394 L398 K399 K400 | D394-T396 PolarHBondContact O-N 2.61Å; D394-T396 VanDerWaalsContact O-N 3.12Å; D394-T396 WeakPolarHBondContact OD1-CA 3.41Å; D394-T396 WeakPolarHBondContact OD1-CB 3.39Å; D394-T396 PolarHBondContact OD1-N 3.01Å; D394-T396 PolarHBondContact OD1-OG1 3.18Å; D394-T396 WeakPolarHBondContact OD2-CB 3.3Å; T396-L398 VanDerWaalsContact C-N 3.3Å; T396-L398 PolarHBondContact O-N 2.9Å; T396-K399 PolarHBondContact O-N 3.43Å; T396-K400 PolarHBondContact O-N 3.18Å |
| 397 | L | 98.1 | Very high | 97.9 | Very high | 64 Ų | 64 | 84.9 Ų | 84.9 | 34% | 0.335 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -53.1 | -47.3 | 167.3 | 178.7 | 59.1 | 0 | 0 | 0 | 110.9 | P390 A391 D394 K399 K400 L401 | P390-L397 HydrophobicContact CB-CD2 4.12Å; A391-L397 HydrophobicContact CB-CD2 4Å; A391-L397 HydrophobicContact CB-CG 3.96Å; D394-L397 HydrophobicContact CB-CB 4.07Å; D394-L397 PolarHBondContact O-N 3.42Å; D394-L397 VanDerWaalsContact OD2-CB 3.22Å; D394-L397 WeakPolarHBondContact OD2-CB 3.39Å; D394-L397 PolarHBondContact OD2-N 3.11Å; L397-K399 PolarHBondContact O-N 2.64Å; L397-K400 CarbonylContact O-C 3.57Å; L397-K400 PolarHBondContact O-N 2.96Å; L397-K400 VanDerWaalsContact O-N 3.08Å; L397-L401 HydrophobicContact CD1-CD1 4.12Å; L397-L401 HydrophobicContact CD1-CD2 4.44Å; L397-L401 HydrophobicContact CD1-CG 4.03Å; L397-L401 HydrophobicContact CG-CD1 4.07Å; L397-L401 HydrophobicContact CG-CG 4.36Å; L397-L401 WeakPolarHBondContact O-CG 3.35Å; L397-L401 PolarHBondContact O-N 3.42Å |
| 398 | L | 98 | Very high | 98 | Very high | 44 Ų | 44 | 82.7 Ų | 82.7 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -56.7 | -45.3 | 178.1 | -164.9 | 66.8 | 0 | 0 | 0 | 112.9 | A391 D394 T396 L401 R402 L663 | A391-L398 HydrophobicContact CB-CD1 4Å; D394-L398 WeakPolarHBondContact O-CB 3.42Å; D394-L398 PolarHBondContact O-N 3.46Å; T396-L398 VanDerWaalsContact C-N 3.3Å; T396-L398 PolarHBondContact O-N 2.9Å; L398-L401 PolarHBondContact O-N 3.08Å; L398-R402 WeakPolarHBondContact O-CB 3.41Å; L398-R402 WeakPolarHBondContact O-CG 3.43Å; L398-R402 PolarHBondContact O-N 3.3Å; L398-L663 HydrophobicContact CD1-CD1 3.31Å; L398-L663 HydrophobicContact CG-CD1 4.12Å |
| 399 | K | 98.3 | Very high | 98 | Very high | 138 Ų | 138 | 81.8 Ų | 81.8 | 60% | 0.6 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.8 | -39.6 | 175.4 | -74.8 | 161.9 | -171 | 155.7 | 0 | 111.8 | S395 T396 L397 R402 S403 | S395-K399 WeakPolarHBondContact O-CB 3.4Å; S395-K399 VanDerWaalsContact O-CD 3.24Å; S395-K399 WeakPolarHBondContact O-CD 3.48Å; S395-K399 WeakPolarHBondContact O-CG 3.41Å; S395-K399 PolarHBondContact O-N 3.2Å; S395-K399 VanDerWaalsContact O-N 3.11Å; T396-K399 PolarHBondContact O-N 3.43Å; L397-K399 PolarHBondContact O-N 2.64Å; K399-R402 PolarHBondContact O-N 3.43Å; K399-S403 WeakPolarHBondContact O-CB 3.49Å; K399-S403 PolarHBondContact O-N 3Å |
| 400 | K | 98.5 | Very high | 98.1 | Very high | 120 Ų | 120 | 81.6 Ų | 81.6 | 52% | 0.522 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 176.3 | -178.6 | 52.2 | 174.8 | 149.3 | 0 | 111.6 | T396 L397 S403 N404 | T396-K400 PolarHBondContact O-N 3.18Å; L397-K400 CarbonylContact O-C 3.57Å; L397-K400 PolarHBondContact O-N 2.96Å; L397-K400 VanDerWaalsContact O-N 3.08Å; K400-S403 PolarHBondContact O-N 2.9Å; K400-N404 VanDerWaalsContact CE-OD1 3.27Å; K400-N404 WeakPolarHBondContact CE-OD1 3.33Å; K400-N404 PolarHBondContact NZ-OD1 3.13Å; K400-N404 WeakPolarHBondContact O-CB 3.48Å; K400-N404 PolarHBondContact O-N 3.34Å; K400-N404 PolarHBondContact O-OD1 2.94Å |
| 401 | L | 98.3 | Very high | 98.1 | Very high | 70 Ų | 70 | 84.7 Ų | 84.7 | 37% | 0.366 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 175.1 | -66.8 | 178.7 | 0 | 0 | 0 | 112.2 | A391 L397 L398 S403 N404 R405 | A391-L401 HydrophobicContact CB-CD1 3.67Å; L397-L401 HydrophobicContact CD1-CD1 4.12Å; L397-L401 HydrophobicContact CD1-CD2 4.44Å; L397-L401 HydrophobicContact CD1-CG 4.03Å; L397-L401 HydrophobicContact CG-CD1 4.07Å; L397-L401 HydrophobicContact CG-CG 4.36Å; L397-L401 WeakPolarHBondContact O-CG 3.35Å; L397-L401 PolarHBondContact O-N 3.42Å; L398-L401 PolarHBondContact O-N 3.08Å; L401-S403 VanDerWaalsContact C-N 3.32Å; L401-S403 PolarHBondContact O-N 3.21Å; L401-N404 PolarHBondContact O-N 3.19Å; L401-R405 WeakPolarHBondContact O-CB 3.16Å; L401-R405 PolarHBondContact O-N 3.47Å |
| 402 | R | 98.1 | Very high | 98.1 | Very high | 85 Ų | 85 | 90 Ų | 90 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56 | -44.7 | 170.7 | -77.5 | -179.2 | 171.3 | -162.7 | -4.7 | 111.6 | L398 K399 R405 I406 D660 L663 | L398-R402 WeakPolarHBondContact O-CB 3.41Å; L398-R402 WeakPolarHBondContact O-CG 3.43Å; L398-R402 PolarHBondContact O-N 3.3Å; K399-R402 PolarHBondContact O-N 3.43Å; R402-R405 PolarHBondContact O-N 3.38Å; R402-I406 WeakPolarHBondContact O-CG1 3.46Å; R402-I406 PolarHBondContact O-N 2.71Å; R402-D660 IonicContact CZ-OD1 3Å; R402-D660 VanDerWaalsContact CZ-OD1 3.25Å; R402-D660 IonicContact NH1-OD1 2.71Å; R402-D660 PolarHBondContact NH1-OD1 3.43Å; R402-D660 IonicContact NH2-OD1 3.65Å; R402-D660 PolarHBondContact NH2-OD1 2.94Å; R402-L663 HydrophobicContact CG-CD1 4.16Å; R402-L663 HydrophobicContact CG-CD2 4.17Å; R402-L663 HydrophobicContact CG-CG 4.47Å |
| 403 | S | 98.5 | Very high | 98.2 | Very high | 61 Ų | 61 | 90.4 Ų | 90.4 | 43% | 0.427 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 112.8 | K399 K400 L401 R405 I406 V407 | K399-S403 WeakPolarHBondContact O-CB 3.49Å; K399-S403 PolarHBondContact O-N 3Å; K400-S403 PolarHBondContact O-N 2.9Å; L401-S403 VanDerWaalsContact C-N 3.32Å; L401-S403 PolarHBondContact O-N 3.21Å; S403-R405 VanDerWaalsContact C-N 3.31Å; S403-R405 PolarHBondContact O-N 3.39Å; S403-I406 PolarHBondContact O-N 3.38Å; S403-V407 PolarHBondContact O-N 3.42Å |
| 404 | N | 98.4 | Very high | 98.2 | Very high | 66 Ų | 66 | 89.1 Ų | 89.1 | 35% | 0.353 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 176.2 | -69.7 | -4.6 | 0 | 0 | 0 | 111.5 | K400 L401 I406 V407 A408 | K400-N404 VanDerWaalsContact CE-OD1 3.27Å; K400-N404 WeakPolarHBondContact CE-OD1 3.33Å; K400-N404 PolarHBondContact NZ-OD1 3.13Å; K400-N404 WeakPolarHBondContact O-CB 3.48Å; K400-N404 PolarHBondContact O-N 3.34Å; K400-N404 PolarHBondContact O-OD1 2.94Å; L401-N404 PolarHBondContact O-N 3.19Å; N404-I406 PolarHBondContact O-N 2.94Å; N404-V407 PolarHBondContact O-N 3.16Å; N404-A408 WeakPolarHBondContact O-CB 3.19Å; N404-A408 PolarHBondContact O-N 2.91Å |
| 405 | R | 97.9 | Very high | 98.2 | Very high | 146 Ų | 146 | 89.6 Ų | 89.6 | 55% | 0.551 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | 178.6 | 179 | 57.1 | 172 | 173.5 | -1.7 | 112.5 | L401 R402 S403 A408 L409 | L401-R405 WeakPolarHBondContact O-CB 3.16Å; L401-R405 PolarHBondContact O-N 3.47Å; R402-R405 PolarHBondContact O-N 3.38Å; S403-R405 VanDerWaalsContact C-N 3.31Å; S403-R405 PolarHBondContact O-N 3.39Å; R405-A408 PolarHBondContact O-N 2.98Å; R405-L409 HydrophobicContact CG-CD1 4.35Å; R405-L409 WeakPolarHBondContact O-CG 3.2Å; R405-L409 PolarHBondContact O-N 2.91Å; R405-L409 VanDerWaalsContact O-N 3.08Å |
| 406 | I | 98.3 | Very high | 98.3 | Very high | 96 Ų | 96 | 92.3 Ų | 92.3 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 175.3 | -65.8 | 165 | 0 | 0 | 0 | 110 | R402 S403 N404 A408 L409 S410 | R402-I406 WeakPolarHBondContact O-CG1 3.46Å; R402-I406 PolarHBondContact O-N 2.71Å; S403-I406 PolarHBondContact O-N 3.38Å; N404-I406 PolarHBondContact O-N 2.94Å; I406-A408 VanDerWaalsContact C-N 3.34Å; I406-A408 PolarHBondContact O-N 2.9Å; I406-L409 PolarHBondContact O-N 3.12Å; I406-S410 PolarHBondContact O-N 3.45Å; I406-S410 VanDerWaalsContact O-N 3.1Å; I406-S410 PolarHBondContact O-OG 3.09Å |
| 407 | V | 98.5 | Very high | 98.2 | Very high | 83 Ų | 83 | 92.3 Ų | 92.3 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | S403 N404 L409 S410 R411 | S403-V407 PolarHBondContact O-N 3.42Å; N404-V407 PolarHBondContact O-N 3.16Å; V407-L409 PolarHBondContact O-N 3.08Å; V407-S410 PolarHBondContact O-N 2.94Å; V407-R411 HydrophobicContact CG1-CG 4.21Å; V407-R411 WeakPolarHBondContact O-CB 3.24Å; V407-R411 VanDerWaalsContact O-CG 3.31Å; V407-R411 WeakPolarHBondContact O-CG 3.16Å; V407-R411 PolarHBondContact O-N 3.25Å |
| 408 | A | 98.3 | Very high | 98.2 | Very high | 45 Ų | 45 | 94.8 Ų | 94.8 | 37% | 0.372 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N404 R405 I406 R411 L412 | N404-A408 WeakPolarHBondContact O-CB 3.19Å; N404-A408 PolarHBondContact O-N 2.91Å; R405-A408 PolarHBondContact O-N 2.98Å; I406-A408 VanDerWaalsContact C-N 3.34Å; I406-A408 PolarHBondContact O-N 2.9Å; A408-R411 PolarHBondContact O-N 3.24Å; A408-L412 WeakPolarHBondContact O-CG 3.39Å; A408-L412 PolarHBondContact O-N 2.91Å; A408-L412 VanDerWaalsContact O-N 3.14Å |
| 409 | L | 97.9 | Very high | 98.1 | Very high | 84 Ų | 84 | 99.3 Ų | 99.3 | 44% | 0.44 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -48.3 | 176.5 | -71.9 | 171.5 | 0 | 0 | 0 | 111.6 | R405 I406 V407 R411 L412 E413 | R405-L409 HydrophobicContact CG-CD1 4.35Å; R405-L409 WeakPolarHBondContact O-CG 3.2Å; R405-L409 PolarHBondContact O-N 2.91Å; R405-L409 VanDerWaalsContact O-N 3.08Å; I406-L409 PolarHBondContact O-N 3.12Å; V407-L409 PolarHBondContact O-N 3.08Å; L409-R411 VanDerWaalsContact C-N 3.29Å; L409-R411 PolarHBondContact O-N 3.32Å; L409-L412 PolarHBondContact O-N 2.97Å; L409-E413 PolarHBondContact O-N 3.37Å |
| 410 | S | 98.3 | Very high | 98.1 | Very high | 63 Ų | 63 | 95 Ų | 95 | 44% | 0.441 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -30.4 | 177.6 | -61 | 0 | 0 | 0 | 0 | 113.3 | I406 V407 E414 | I406-S410 PolarHBondContact O-N 3.45Å; I406-S410 VanDerWaalsContact O-N 3.1Å; I406-S410 PolarHBondContact O-OG 3.09Å; V407-S410 PolarHBondContact O-N 2.94Å; S410-E414 VanDerWaalsContact O-CB 3.26Å; S410-E414 WeakPolarHBondContact O-CB 3.37Å; S410-E414 PolarHBondContact O-N 2.94Å |
| 411 | R | 98.5 | Very high | 97.9 | Very high | 148 Ų | 148 | 93.5 Ų | 93.5 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.7 | -35.7 | 173.3 | -76.1 | -55 | -153.6 | 171.4 | 7.2 | 112.9 | V407 A408 L409 E414 V415 | V407-R411 HydrophobicContact CG1-CG 4.21Å; V407-R411 WeakPolarHBondContact O-CB 3.24Å; V407-R411 VanDerWaalsContact O-CG 3.31Å; V407-R411 WeakPolarHBondContact O-CG 3.16Å; V407-R411 PolarHBondContact O-N 3.25Å; A408-R411 PolarHBondContact O-N 3.24Å; L409-R411 VanDerWaalsContact C-N 3.29Å; L409-R411 PolarHBondContact O-N 3.32Å; R411-E414 WeakPolarHBondContact CD-OE2 3.49Å; R411-E414 IonicContact CZ-OE2 3.81Å; R411-E414 IonicContact NE-OE2 3.62Å; R411-E414 VanDerWaalsContact NH1-CD 3.27Å; R411-E414 IonicContact NH1-OE1 3.75Å; R411-E414 PolarHBondContact NH1-OE1 3.13Å; R411-E414 VanDerWaalsContact NH1-OE1 3.07Å; R411-E414 IonicContact NH1-OE2 3.68Å; R411-E414 PolarHBondContact NH1-OE2 2.81Å; R411-V415 WeakPolarHBondContact O-CG2 3.41Å; R411-V415 PolarHBondContact O-N 2.89Å; R411-V415 VanDerWaalsContact O-N 3.16Å |
| 412 | L | 98.3 | Very high | 97.8 | Very high | 113 Ų | 113 | 93.8 Ų | 93.8 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68 | -43.4 | 174.4 | -71.2 | 167.5 | 0 | 0 | 0 | 110.8 | A408 L409 V415 I416 | A408-L412 WeakPolarHBondContact O-CG 3.39Å; A408-L412 PolarHBondContact O-N 2.91Å; A408-L412 VanDerWaalsContact O-N 3.14Å; L409-L412 PolarHBondContact O-N 2.97Å; L412-V415 PolarHBondContact O-N 3.32Å; L412-I416 WeakPolarHBondContact O-CG1 3.38Å; L412-I416 PolarHBondContact O-N 2.83Å; L412-I416 VanDerWaalsContact O-N 3.08Å |
| 413 | E | 98 | Very high | 97.5 | Very high | 122 Ų | 122 | 95.7 Ų | 95.7 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.8 | -49.4 | 174.4 | -168.4 | 169.6 | -141 | 0 | 0 | 111.5 | L409 V415 I416 D417 | L409-E413 PolarHBondContact O-N 3.37Å; E413-V415 VanDerWaalsContact C-N 3.31Å; E413-V415 PolarHBondContact O-N 3.42Å; E413-I416 PolarHBondContact O-N 3.34Å; E413-D417 WeakPolarHBondContact O-CB 3.48Å; E413-D417 PolarHBondContact O-N 2.95Å |
| 414 | E | 98.3 | Very high | 97.2 | Very high | 100 Ų | 100 | 97.9 Ų | 97.9 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55 | -40.5 | 175.6 | -179.3 | -173.5 | -174.4 | 0 | 0 | 113.2 | S410 R411 K418 | S410-E414 VanDerWaalsContact O-CB 3.26Å; S410-E414 WeakPolarHBondContact O-CB 3.37Å; S410-E414 PolarHBondContact O-N 2.94Å; R411-E414 WeakPolarHBondContact CD-OE2 3.49Å; R411-E414 IonicContact CZ-OE2 3.81Å; R411-E414 IonicContact NE-OE2 3.62Å; R411-E414 VanDerWaalsContact NH1-CD 3.27Å; R411-E414 IonicContact NH1-OE1 3.75Å; R411-E414 PolarHBondContact NH1-OE1 3.13Å; R411-E414 VanDerWaalsContact NH1-OE1 3.07Å; R411-E414 IonicContact NH1-OE2 3.68Å; R411-E414 PolarHBondContact NH1-OE2 2.81Å; E414-K418 VanDerWaalsContact O-CB 3.22Å; E414-K418 WeakPolarHBondContact O-CB 3.44Å; E414-K418 PolarHBondContact O-N 3.32Å |
| 415 | V | 98.4 | Very high | 96.8 | Very high | 75 Ų | 75 | 98 Ų | 98 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.4 | -43.1 | 178.8 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | R411 L412 E413 K418 Y419 | R411-V415 WeakPolarHBondContact O-CG2 3.41Å; R411-V415 PolarHBondContact O-N 2.89Å; R411-V415 VanDerWaalsContact O-N 3.16Å; L412-V415 PolarHBondContact O-N 3.32Å; E413-V415 VanDerWaalsContact C-N 3.31Å; E413-V415 PolarHBondContact O-N 3.42Å; V415-K418 PolarHBondContact O-N 2.99Å; V415-Y419 HydrophobicContact CG1-CD2 4.06Å; V415-Y419 HydrophobicContact CG1-CE2 4.14Å; V415-Y419 WeakPolarHBondContact O-CD2 3.22Å; V415-Y419 PolarHBondContact O-N 3.46Å |
| 416 | I | 97.9 | Very high | 96.3 | Very high | 119 Ų | 119 | 96.3 Ų | 96.3 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.2 | -47.6 | 177.5 | -66 | -65.1 | 0 | 0 | 0 | 110.6 | L412 E413 K418 Y419 A420 | L412-I416 WeakPolarHBondContact O-CG1 3.38Å; L412-I416 PolarHBondContact O-N 2.83Å; L412-I416 VanDerWaalsContact O-N 3.08Å; E413-I416 PolarHBondContact O-N 3.34Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 3.43Å; I416-Y419 PolarHBondContact O-N 3.5Å; I416-A420 WeakPolarHBondContact O-CB 3.47Å; I416-A420 PolarHBondContact O-N 3.41Å |
| 417 | D | 97.7 | Very high | 95.5 | Very high | 97 Ų | 97 | 95.3 Ų | 95.3 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 177.3 | -81.2 | -1.7 | 0 | 0 | 0 | 111.7 | E413 Y419 A420 V421 | E413-D417 WeakPolarHBondContact O-CB 3.48Å; E413-D417 PolarHBondContact O-N 2.95Å; D417-Y419 PolarHBondContact O-N 2.74Å; D417-A420 PolarHBondContact O-N 2.99Å; D417-V421 WeakPolarHBondContact O-CB 3.44Å; D417-V421 VanDerWaalsContact O-CG2 3.3Å; D417-V421 WeakPolarHBondContact O-CG2 3.32Å; D417-V421 PolarHBondContact O-N 2.94Å |
| 418 | K | 97.6 | Very high | 94.5 | Very high | 115 Ų | 115 | 95.3 Ų | 95.3 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.3 | -49.6 | 176.3 | -177.7 | -154.1 | 169 | -155.4 | 0 | 111.5 | E414 V415 I416 Q422 | E414-K418 VanDerWaalsContact O-CB 3.22Å; E414-K418 WeakPolarHBondContact O-CB 3.44Å; E414-K418 PolarHBondContact O-N 3.32Å; V415-K418 PolarHBondContact O-N 2.99Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 3.43Å; K418-Q422 WeakPolarHBondContact O-CB 3.43Å; K418-Q422 PolarHBondContact O-N 2.61Å |
| 419 | Y | 97 | Very high | 93.7 | Very high | 139 Ų | 139 | 98.6 Ų | 98.6 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.8 | -34.8 | -178.3 | -79.9 | -72.2 | 0 | 0 | 0 | 112.7 | V415 I416 D417 Q422 Q423 | V415-Y419 HydrophobicContact CG1-CD2 4.06Å; V415-Y419 HydrophobicContact CG1-CE2 4.14Å; V415-Y419 WeakPolarHBondContact O-CD2 3.22Å; V415-Y419 PolarHBondContact O-N 3.46Å; I416-Y419 PolarHBondContact O-N 3.5Å; D417-Y419 PolarHBondContact O-N 2.74Å; Y419-Q422 PolarHBondContact O-N 3.34Å; Y419-Q423 PolarHBondContact O-N 2.9Å |
| 420 | A | 96.4 | Very high | 92.9 | Very high | 48 Ų | 48 | 101 Ų | 101 | 40% | 0.397 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I416 D417 Q423 D424 | I416-A420 WeakPolarHBondContact O-CB 3.47Å; I416-A420 PolarHBondContact O-N 3.41Å; D417-A420 PolarHBondContact O-N 2.99Å; A420-Q423 PolarHBondContact O-N 3.05Å; A420-D424 WeakPolarHBondContact O-CB 3.35Å; A420-D424 PolarHBondContact O-N 3.35Å |
| 421 | V | 96.1 | Very high | 91.8 | Very high | 89 Ų | 89 | 102 Ų | 102 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 175.7 | 171 | 0 | 0 | 0 | 0 | 111.6 | D417 D424 T425 | D417-V421 WeakPolarHBondContact O-CB 3.44Å; D417-V421 VanDerWaalsContact O-CG2 3.3Å; D417-V421 WeakPolarHBondContact O-CG2 3.32Å; D417-V421 PolarHBondContact O-N 2.94Å; V421-D424 PolarHBondContact O-N 3.18Å; V421-T425 WeakPolarHBondContact O-CG2 3.34Å; V421-T425 PolarHBondContact O-N 2.89Å; V421-T425 PolarHBondContact O-OG1 3.32Å |
| 422 | Q | 94.6 | Very high | 90.9 | Very high | 76 Ų | 76 | 102.1 Ų | 102.1 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 176 | -178.6 | 172.7 | -16.9 | 0 | 0 | 111.2 | K418 Y419 D424 T425 E426 | K418-Q422 WeakPolarHBondContact O-CB 3.43Å; K418-Q422 PolarHBondContact O-N 2.61Å; Y419-Q422 PolarHBondContact O-N 3.34Å; Q422-D424 PolarHBondContact O-N 3.36Å; Q422-T425 WeakPolarHBondContact CA-OG1 3.38Å; Q422-T425 PolarHBondContact O-N 3.16Å; Q422-T425 VanDerWaalsContact O-N 3.1Å; Q422-T425 PolarHBondContact O-OG1 2.88Å; Q422-E426 WeakPolarHBondContact CG-OE1 3.14Å; Q422-E426 PolarHBondContact NE2-OE1 3.07Å; Q422-E426 WeakPolarHBondContact O-CG 3.5Å; Q422-E426 PolarHBondContact O-N 2.89Å |
| 423 | Q | 93.6 | Very high | 89.6 | Confident | 125 Ų | 125 | 102.3 Ų | 102.3 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.2 | -47.1 | 175.5 | -175.7 | 179.5 | -9.5 | 0 | 0 | 111.6 | Y419 A420 T425 E426 D427 | Y419-Q423 PolarHBondContact O-N 2.9Å; A420-Q423 PolarHBondContact O-N 3.05Å; Q423-T425 VanDerWaalsContact C-N 3.27Å; Q423-T425 PolarHBondContact O-N 3.28Å; Q423-E426 PolarHBondContact O-N 2.99Å; Q423-D427 PolarHBondContact O-N 3.15Å |
| 424 | D | 92.2 | Very high | 88.6 | Confident | 106 Ų | 106 | 100.5 Ų | 100.5 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56.2 | -39.9 | 174.8 | -100.4 | -9.9 | 0 | 0 | 0 | 111.8 | A420 V421 Q422 N428 | A420-D424 WeakPolarHBondContact O-CB 3.35Å; A420-D424 PolarHBondContact O-N 3.35Å; V421-D424 PolarHBondContact O-N 3.18Å; Q422-D424 PolarHBondContact O-N 3.36Å; D424-N428 VanDerWaalsContact O-CB 3.24Å; D424-N428 WeakPolarHBondContact O-CB 3.35Å; D424-N428 PolarHBondContact O-N 3.08Å; D424-N428 PolarHBondContact O-ND2 2.92Å |
| 425 | T | 89.6 | Confident | 87.5 | Confident | 70 Ų | 70 | 100.7 Ų | 100.7 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.8 | -43.5 | 177.2 | 49.1 | 0 | 0 | 0 | 0 | 113 | V421 Q422 Q423 N428 E429 | V421-T425 WeakPolarHBondContact O-CG2 3.34Å; V421-T425 PolarHBondContact O-N 2.89Å; V421-T425 PolarHBondContact O-OG1 3.32Å; Q422-T425 WeakPolarHBondContact CA-OG1 3.38Å; Q422-T425 PolarHBondContact O-N 3.16Å; Q422-T425 VanDerWaalsContact O-N 3.1Å; Q422-T425 PolarHBondContact O-OG1 2.88Å; Q423-T425 VanDerWaalsContact C-N 3.27Å; Q423-T425 PolarHBondContact O-N 3.28Å; T425-N428 CarbonylContact O-C 3.51Å; T425-N428 PolarHBondContact O-N 2.97Å; T425-E429 WeakPolarHBondContact O-CG 3.43Å; T425-E429 PolarHBondContact O-N 2.91Å |
| 426 | E | 86.2 | Confident | 86.1 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -44 | 179.9 | -71 | 173.5 | -162.1 | 0 | 0 | 111.4 | Q422 Q423 N428 E429 K430 | Q422-E426 WeakPolarHBondContact CG-OE1 3.14Å; Q422-E426 PolarHBondContact NE2-OE1 3.07Å; Q422-E426 WeakPolarHBondContact O-CG 3.5Å; Q422-E426 PolarHBondContact O-N 2.89Å; Q423-E426 PolarHBondContact O-N 2.99Å; E426-N428 PolarHBondContact O-N 2.89Å; E426-E429 PolarHBondContact O-N 3.15Å; E426-K430 WeakPolarHBondContact O-CB 3.4Å; E426-K430 PolarHBondContact O-N 2.82Å |
| 427 | D | 82.1 | Confident | 84.4 | Confident | 76 Ų | 76 | 102.3 Ų | 102.3 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 172.3 | -90.1 | -29 | 0 | 0 | 0 | 111.7 | Q423 E429 L431 | Q423-D427 PolarHBondContact O-N 3.15Å; D427-E429 PolarHBondContact O-N 3.14Å; D427-L431 WeakPolarHBondContact O-CB 3.48Å; D427-L431 WeakPolarHBondContact O-CD1 3.34Å; D427-L431 WeakPolarHBondContact O-CG 3.25Å; D427-L431 PolarHBondContact O-N 2.71Å |
| 428 | N | 78.4 | Confident | 82.6 | Confident | 82 Ų | 82 | 105 Ų | 105 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -31.8 | 175.4 | -90.5 | -83.6 | 0 | 0 | 0 | 113.5 | D424 T425 E426 R432 | D424-N428 VanDerWaalsContact O-CB 3.24Å; D424-N428 WeakPolarHBondContact O-CB 3.35Å; D424-N428 PolarHBondContact O-N 3.08Å; D424-N428 PolarHBondContact O-ND2 2.92Å; T425-N428 CarbonylContact O-C 3.51Å; T425-N428 PolarHBondContact O-N 2.97Å; E426-N428 PolarHBondContact O-N 2.89Å; N428-R432 WeakPolarHBondContact O-CD 3.31Å; N428-R432 VanDerWaalsContact O-CG 3.24Å; N428-R432 WeakPolarHBondContact O-CG 3.47Å; N428-R432 PolarHBondContact O-N 2.86Å |
| 429 | E | 80.6 | Confident | 80.7 | Confident | 115 Ų | 115 | 107.2 Ų | 107.2 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -77.1 | -41.5 | 175.7 | -72.2 | -165 | 167.9 | 0 | 0 | 112 | T425 E426 D427 L431 R432 M433 | T425-E429 WeakPolarHBondContact O-CG 3.43Å; T425-E429 PolarHBondContact O-N 2.91Å; E426-E429 PolarHBondContact O-N 3.15Å; D427-E429 PolarHBondContact O-N 3.14Å; E429-L431 VanDerWaalsContact C-N 3.32Å; E429-L431 PolarHBondContact O-N 2.96Å; E429-R432 WeakPolarHBondContact O-CA 3.47Å; E429-R432 WeakPolarHBondContact O-CB 3.31Å; E429-R432 PolarHBondContact O-N 3.31Å; E429-M433 WeakPolarHBondContact O-CG 3.38Å; E429-M433 PolarHBondContact O-N 3.13Å |
| 430 | K | 80.3 | Confident | 78.8 | Confident | 134 Ų | 134 | 106.3 Ų | 106.3 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -55.5 | -48.1 | 169.3 | -168.7 | 173 | -175.2 | 174.4 | 0 | 111.3 | E426 R432 M433 D434 | E426-K430 WeakPolarHBondContact O-CB 3.4Å; E426-K430 PolarHBondContact O-N 2.82Å; K430-R432 PolarHBondContact O-N 3.28Å; K430-R432 VanDerWaalsContact O-N 3.15Å; K430-M433 PolarHBondContact O-N 3.09Å; K430-D434 PolarHBondContact O-N 3.32Å |
| 431 | L | 76.7 | Confident | 76.6 | Confident | 83 Ų | 83 | 106.3 Ų | 106.3 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -11.6 | 173.2 | -74.9 | 173.2 | 0 | 0 | 0 | 114.5 | D427 E429 K435 | D427-L431 WeakPolarHBondContact O-CB 3.48Å; D427-L431 WeakPolarHBondContact O-CD1 3.34Å; D427-L431 WeakPolarHBondContact O-CG 3.25Å; D427-L431 PolarHBondContact O-N 2.71Å; E429-L431 VanDerWaalsContact C-N 3.32Å; E429-L431 PolarHBondContact O-N 2.96Å; L431-K435 WeakPolarHBondContact O-CD 3.49Å; L431-K435 WeakPolarHBondContact O-CG 3.27Å; L431-K435 PolarHBondContact O-NZ 3.08Å |
| 432 | R | 78.4 | Confident | 74.3 | Confident | 152 Ų | 152 | 111.2 Ų | 111.2 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -88.7 | -47.5 | 168.1 | -72.8 | 163.8 | -168.1 | -160.2 | 5.5 | 110.8 | N428 E429 K430 D434 K435 E436 | N428-R432 WeakPolarHBondContact O-CD 3.31Å; N428-R432 VanDerWaalsContact O-CG 3.24Å; N428-R432 WeakPolarHBondContact O-CG 3.47Å; N428-R432 PolarHBondContact O-N 2.86Å; E429-R432 WeakPolarHBondContact O-CA 3.47Å; E429-R432 WeakPolarHBondContact O-CB 3.31Å; E429-R432 PolarHBondContact O-N 3.31Å; K430-R432 PolarHBondContact O-N 3.28Å; K430-R432 VanDerWaalsContact O-N 3.15Å; R432-D434 VanDerWaalsContact C-N 3.3Å; R432-D434 PolarHBondContact O-N 3.46Å; R432-K435 CarbonylContact O-C 3.49Å; R432-K435 WeakPolarHBondContact O-CA 3.32Å; R432-K435 PolarHBondContact O-N 2.66Å; R432-E436 PolarHBondContact O-N 2.89Å |
| 433 | M | 71.8 | Confident | 71.9 | Confident | 117 Ų | 117 | 116.8 Ų | 116.8 | 58% | 0.576 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -56.8 | -43.6 | 177.4 | -64.6 | -60.3 | 176 | 0 | 0 | 111.5 | E429 K430 K435 E436 N437 | E429-M433 WeakPolarHBondContact O-CG 3.38Å; E429-M433 PolarHBondContact O-N 3.13Å; K430-M433 PolarHBondContact O-N 3.09Å; M433-K435 PolarHBondContact O-N 3.04Å; M433-E436 PolarHBondContact O-N 3.04Å; M433-N437 WeakPolarHBondContact O-CB 3.43Å; M433-N437 PolarHBondContact O-N 3.47Å; M433-N437 PolarHBondContact O-ND2 2.9Å |
| 434 | D | 76.6 | Confident | 69.3 | Low | 83 Ų | 83 | 116.3 Ų | 116.3 | 44% | 0.444 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.2 | -43 | 174.1 | -70.8 | -25.4 | 0 | 0 | 0 | 112.1 | K430 R432 E436 N437 E438 | K430-D434 PolarHBondContact O-N 3.32Å; R432-D434 VanDerWaalsContact C-N 3.3Å; R432-D434 PolarHBondContact O-N 3.46Å; D434-E436 VanDerWaalsContact C-N 3.26Å; D434-E436 PolarHBondContact O-N 3.12Å; D434-N437 PolarHBondContact O-N 3.02Å; D434-E438 WeakPolarHBondContact O-CG 3.34Å; D434-E438 PolarHBondContact O-N 3.13Å |
| 435 | K | 75.2 | Confident | 66.9 | Low | 105 Ų | 105 | 121.1 Ų | 121.1 | 46% | 0.457 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73 | -14 | 178.1 | -71.6 | -178.5 | -169.1 | 78.1 | 0 | 114.1 | L431 R432 M433 K439 | L431-K435 WeakPolarHBondContact O-CD 3.49Å; L431-K435 WeakPolarHBondContact O-CG 3.27Å; L431-K435 PolarHBondContact O-NZ 3.08Å; R432-K435 CarbonylContact O-C 3.49Å; R432-K435 WeakPolarHBondContact O-CA 3.32Å; R432-K435 PolarHBondContact O-N 2.66Å; M433-K435 PolarHBondContact O-N 3.04Å; K435-K439 VanDerWaalsContact O-CD 3.3Å; K435-K439 WeakPolarHBondContact O-CD 2.99Å; K435-K439 VanDerWaalsContact O-CE 3.27Å; K435-K439 WeakPolarHBondContact O-CE 3.26Å; K435-K439 WeakPolarHBondContact O-CG 3Å |
| 436 | E | 68.9 | Low | 64.3 | Low | 117 Ų | 117 | 124 Ų | 124 | 55% | 0.547 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -92.3 | -39.2 | 172 | -68.6 | -170.2 | 172.4 | 0 | 0 | 110.6 | R432 M433 D434 K439 V440 | R432-E436 PolarHBondContact O-N 2.89Å; M433-E436 PolarHBondContact O-N 3.04Å; D434-E436 VanDerWaalsContact C-N 3.26Å; D434-E436 PolarHBondContact O-N 3.12Å; E436-K439 PolarHBondContact O-N 3.14Å; E436-V440 PolarHBondContact O-N 3.46Å |
| 437 | N | 61.7 | Low | 61.8 | Low | 110 Ų | 110 | 128.4 Ų | 128.4 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.1 | -43.3 | 169.2 | -76.1 | -34.3 | 0 | 0 | 0 | 112.5 | M433 D434 K439 V440 G441 | M433-N437 WeakPolarHBondContact O-CB 3.43Å; M433-N437 PolarHBondContact O-N 3.47Å; M433-N437 PolarHBondContact O-ND2 2.9Å; D434-N437 PolarHBondContact O-N 3.02Å; N437-K439 PolarHBondContact O-N 2.76Å; N437-V440 PolarHBondContact O-N 3.07Å; N437-V440 VanDerWaalsContact O-N 3.07Å; N437-G441 PolarHBondContact O-N 3.45Å |
| 438 | E | 60.1 | Low | 59.5 | Low | 154 Ų | 154 | 133.6 Ų | 133.6 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -58.1 | -35 | 174.5 | -81 | -163.9 | 132.3 | 0 | 0 | 112.7 | D434 V440 G441 | D434-E438 WeakPolarHBondContact O-CG 3.34Å; D434-E438 PolarHBondContact O-N 3.13Å; E438-V440 VanDerWaalsContact C-N 3.31Å; E438-V440 PolarHBondContact O-N 3.29Å; E438-G441 PolarHBondContact O-N 3.49Å |
| 439 | K | 58.6 | Low | 57.2 | Low | 162 Ų | 162 | 136 Ų | 136 | 70% | 0.704 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.6 | -21.1 | 178.1 | -69.8 | 168.7 | -169.2 | 156.8 | 0 | 113.4 | K435 E436 N437 | K435-K439 VanDerWaalsContact O-CD 3.3Å; K435-K439 WeakPolarHBondContact O-CD 2.99Å; K435-K439 VanDerWaalsContact O-CE 3.27Å; K435-K439 WeakPolarHBondContact O-CE 3.26Å; K435-K439 WeakPolarHBondContact O-CG 3Å; E436-K439 PolarHBondContact O-N 3.14Å; N437-K439 PolarHBondContact O-N 2.76Å |
| 440 | V | 57.1 | Low | 54.8 | Low | 119 Ų | 119 | 138.2 Ų | 138.2 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -91 | -25.5 | 174 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | E436 N437 E438 E442 | E436-V440 PolarHBondContact O-N 3.46Å; N437-V440 PolarHBondContact O-N 3.07Å; N437-V440 VanDerWaalsContact O-N 3.07Å; E438-V440 VanDerWaalsContact C-N 3.31Å; E438-V440 PolarHBondContact O-N 3.29Å; V440-E442 PolarHBondContact O-N 3.41Å |
| 441 | G | 49.1 | Very low | 52.4 | Low | 49 Ų | 49 | 135.5 Ų | 135.5 | 51% | 0.505 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -68.5 | -12.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | N437 E438 K443 S444 | N437-G441 PolarHBondContact O-N 3.45Å; E438-G441 PolarHBondContact O-N 3.49Å; G441-K443 PolarHBondContact O-N 2.91Å; G441-S444 PolarHBondContact O-N 3.4Å |
| 442 | E | 48.3 | Very low | 50.3 | Low | 191 Ų | 191 | 138.2 Ų | 138.2 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -69.7 | 8.2 | -175.2 | -142.6 | -167.8 | -174.8 | 0 | 0 | 114.7 | V440 | V440-E442 PolarHBondContact O-N 3.41Š|
| 443 | K | 45.3 | Very low | 48.1 | Very low | 194 Ų | 194 | 134.5 Ų | 134.5 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -130.7 | 43.8 | 174.9 | -76 | -171 | 178.8 | 174.3 | 0 | 115.6 | G441 | G441-K443 PolarHBondContact O-N 2.91Š|
| 444 | S | 37.7 | Very low | 46.3 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -164.3 | 117.7 | 143.4 | -89.7 | 0 | 0 | 0 | 0 | 114.2 | G441 | G441-S444 PolarHBondContact O-N 3.4Š| ||
| 445 | K | 42.2 | Very low | 44 | Very low | 207 Ų | 207 | 139.2 Ų | 139.2 | 90% | 0.9 | 74% | 0.744 | S | S | * | * | trans | -96.5 | 122.1 | 157.8 | -74.4 | -176.7 | 177.4 | 178.6 | 0 | 109.2 | ||||
| 446 | T | 34.1 | Very low | 42.1 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | -176.1 | 144.2 | 144.1 | -83.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 447 | K | 35.3 | Very low | 40.2 | Very low | 203 Ų | 203 | 144.2 Ų | 144.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | 75.5 | 143.1 | 172.7 | -82 | 176.8 | 176.4 | -174.3 | 0 | 119 | ||||
| 448 | Q | 32.4 | Very low | 38.8 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -91.2 | 178.2 | 168.6 | -56.8 | 172.9 | -64.8 | 0 | 0 | 107.7 | ||||
| 449 | V | 30 | Very low | 37.6 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | -155.3 | 155.3 | 53.5 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 450 | N | 31.4 | Very low | 36.3 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -67 | 155.4 | 175 | -61.2 | 5.2 | 0 | 0 | 0 | 113 | ||||
| 451 | G | 29.5 | Very low | 35.2 | Very low | 76 Ų | 76 | 147.5 Ų | 147.5 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | -176.6 | 68.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 452 | V | 33.5 | Very low | 34.6 | Very low | 141 Ų | 141 | 152.5 Ų | 152.5 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -87 | 104 | 160.1 | 178 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 453 | A | 31.2 | Very low | 34.2 | Very low | 73 Ų | 73 | 151.6 Ų | 151.6 | 60% | 0.603 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81 | 143.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||
| 454 | Q | 34.3 | Very low | 34 | Very low | 158 Ų | 158 | 147 Ų | 147 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 116.5 | 145.3 | -74.7 | 172.3 | -114.3 | 0 | 0 | 104.1 | E456 | Q454-E456 PolarHBondContact NE2-OE1 3.1Å; Q454-E456 PolarHBondContact O-N 3.46Å |
| 455 | D | 28.5 | Very low | 34.4 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 116.8 | 145 | -63.1 | -52.8 | 0 | 0 | 0 | 104.5 | E457 | D455-E457 PolarHBondContact O-N 3.16Š|
| 456 | E | 35.1 | Very low | 34.5 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | -70 | 110.6 | 150.9 | -54.7 | -88 | 138.3 | 0 | 0 | 102 | Q454 D458 | Q454-E456 PolarHBondContact NE2-OE1 3.1Å; Q454-E456 PolarHBondContact O-N 3.46Å; E456-D458 PolarHBondContact O-N 3.24Å | ||
| 457 | E | 29.6 | Very low | 35 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | -63.5 | 98.5 | 162.2 | -72.7 | 173.8 | 164.7 | 0 | 0 | 104.7 | D455 E459 | D455-E457 PolarHBondContact O-N 3.16Å; E457-E459 PolarHBondContact O-N 3.36Å | ||
| 458 | D | 31.2 | Very low | 35.8 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -57.9 | 97.1 | 156.6 | -81.3 | -47.4 | 0 | 0 | 0 | 104.3 | E456 E460 | E456-D458 PolarHBondContact O-N 3.24Å; D458-E460 PolarHBondContact O-N 3.34Å | ||
| 459 | E | 35 | Very low | 37 | Very low | 177 Ų | 177 | 125.9 Ų | 125.9 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | trans | -53.8 | 94.9 | 150.1 | -73.2 | -179.5 | 166 | 0 | 0 | 104.4 | E457 E461 | E457-E459 PolarHBondContact O-N 3.36Å; E459-E461 PolarHBondContact O-N 3.07Å | ||
| 460 | E | 31.9 | Very low | 38.6 | Very low | 167 Ų | 167 | 123.5 Ų | 123.5 | 78% | 0.78 | 66% | 0.664 | S | S | * | * | trans | -50.8 | 95.8 | 149.2 | -61.7 | -86.6 | -172.9 | 0 | 0 | 103.4 | D458 D462 | D458-E460 PolarHBondContact O-N 3.34Å; E460-D462 VanDerWaalsContact C-N 3.26Å; E460-D462 PolarHBondContact O-N 2.69Å | ||
| 461 | E | 34.7 | Very low | 40.8 | Very low | 123 Ų | 123 | 115.9 Ų | 115.9 | 58% | 0.575 | 62% | 0.623 | S | S | * | * | trans | -52 | 108.5 | 157.1 | -78.8 | -174.4 | 168.1 | 0 | 0 | 102.4 | N321 E459 E463 | N321-E461 PolarHBondContact ND2-OE1 3.23Å; N321-E461 PolarHBondContact ND2-OE2 3.13Å; E459-E461 PolarHBondContact O-N 3.07Å; E461-E463 PolarHBondContact O-N 3.09Å | ||
| 462 | D | 34.6 | Very low | 43 | Very low | 154 Ų | 154 | 115.6 Ų | 115.6 | 82% | 0.824 | 60% | 0.602 | S | S | * | * | trans | -56.7 | 89.8 | 168.6 | -82.1 | -54.7 | 0 | 0 | 0 | 105.2 | E460 D464 | E460-D462 VanDerWaalsContact C-N 3.26Å; E460-D462 PolarHBondContact O-N 2.69Å; D462-D464 PolarHBondContact O-N 2.87Å | ||
| 463 | E | 41.8 | Very low | 45.1 | Very low | 171 Ų | 171 | 114.1 Ų | 114.1 | 80% | 0.799 | 59% | 0.589 | S | S | * | * | trans | -59.6 | 93.7 | 161.1 | -79 | -163.6 | 156 | 0 | 0 | 102.8 | E461 E465 | E461-E463 PolarHBondContact O-N 3.09Å; E463-E465 PolarHBondContact O-N 3.22Å | ||
| 464 | D | 39.9 | Very low | 47.4 | Very low | 98 Ų | 98 | 113 Ų | 113 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | trans | -70.7 | 66.2 | -177.2 | -172.4 | 7.4 | 0 | 0 | 0 | 107.6 | R269 D462 S466 | R269-D464 IonicContact CZ-OD2 3.3Å; R269-D464 IonicContact NH1-OD2 2.86Å; R269-D464 PolarHBondContact NH1-OD2 2.72Å; R269-D464 IonicContact NH2-OD1 2.89Å; R269-D464 IonicContact NH2-OD2 2.61Å; R269-D464 PolarHBondContact NH2-OD2 2.83Å; D462-D464 PolarHBondContact O-N 2.87Å; D464-S466 WeakPolarHBondContact O-CB 3.5Å; D464-S466 PolarHBondContact O-N 2.91Å | ||
| 465 | E | 46.9 | Very low | 49.5 | Very low | 164 Ų | 164 | 106.6 Ų | 106.6 | 77% | 0.766 | 54% | 0.542 | S | S | * | . | trans | -70.3 | 46.1 | 169.4 | -160.5 | 174.3 | -130.5 | 0 | 0 | 108.8 | E463 S467 | E463-E465 PolarHBondContact O-N 3.22Å; E465-S467 PolarHBondContact O-N 2.88Å | ||
| 466 | S | 44.5 | Very low | 51.8 | Low | 48 Ų | 48 | 105.3 Ų | 105.3 | 34% | 0.336 | 53% | 0.531 | S | S | . | . | -47.2 | 68.1 | 128.4 | -166.3 | 0 | 0 | 0 | 0 | 110.3 | K273 D464 D468 | K273-S466 PolarHBondContact NZ-O 3.01Å; D464-S466 WeakPolarHBondContact O-CB 3.5Å; D464-S466 PolarHBondContact O-N 2.91Å; S466-D468 PolarHBondContact O-N 3.5Å | |||
| 467 | S | 43.3 | Very low | 53.6 | Low | 49 Ų | 49 | 100.2 Ų | 100.2 | 34% | 0.343 | 51% | 0.514 | S | S | . | . | -50.8 | 72.2 | 126.2 | -79.7 | 0 | 0 | 0 | 0 | 108.9 | E465 P469 E472 | E465-S467 PolarHBondContact O-N 2.88Å; S467-P469 WeakPolarHBondContact O-CD 3.28Å; S467-P469 VanDerWaalsContact O-N 3.08Å; S467-E472 WeakPolarHBondContact CA-OE1 3.48Å; S467-E472 WeakPolarHBondContact CB-OE1 3.37Å; S467-E472 WeakPolarHBondContact CB-OE2 3.46Å; S467-E472 VanDerWaalsContact OG-CD 3.24Å; S467-E472 PolarHBondContact OG-OE1 3.49Å; S467-E472 PolarHBondContact OG-OE2 2.85Å | |||
| 468 | D | 51.7 | Low | 55.7 | Low | 50 Ų | 50 | 92.2 Ų | 92.2 | 27% | 0.267 | 48% | 0.478 | S | S | . | . | trans | -60.8 | 96.9 | 160.3 | -175.1 | -3.8 | 0 | 0 | 0 | 105.5 | K270 S466 D470 I471 | K270-D468 VanDerWaalsContact CE-CG 3.47Å; K270-D468 WeakPolarHBondContact CE-OD2 3.37Å; K270-D468 IonicContact NZ-OD1 2.7Å; K270-D468 IonicContact NZ-OD2 3.05Å; K270-D468 PolarHBondContact NZ-OD2 3.36Å; S466-D468 PolarHBondContact O-N 3.5Å; D468-D470 PolarHBondContact O-N 3.41Å; D468-I471 WeakPolarHBondContact O-CG2 3.4Å; D468-I471 PolarHBondContact O-N 2.87Å | ||
| 469 | P | 57.6 | Low | 57.5 | Low | 84 Ų | 84 | 89.1 Ų | 89.1 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -27.4 | -154.9 | 24.4 | -34.1 | 0 | 0 | 0 | 112.1 | S467 I471 E472 D473 | S467-P469 WeakPolarHBondContact O-CD 3.28Å; S467-P469 VanDerWaalsContact O-N 3.08Å; P469-I471 VanDerWaalsContact C-N 3.26Å; P469-I471 PolarHBondContact O-N 3.24Å; P469-E472 CarbonylContact O-C 3.59Å; P469-E472 WeakPolarHBondContact O-CA 3.42Å; P469-E472 PolarHBondContact O-N 3.4Å; P469-D473 PolarHBondContact O-N 3.32Å |
| 470 | D | 64.9 | Low | 58.9 | Low | 84 Ų | 84 | 87 Ų | 87 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -45 | -39.1 | 170.1 | -172.4 | 69.1 | 0 | 0 | 0 | 114.4 | K270 D468 E474 | K270-D470 IonicContact NZ-OD2 3.91Å; K270-D470 PolarHBondContact NZ-OD2 3.42Å; D468-D470 PolarHBondContact O-N 3.41Å; D470-E474 WeakPolarHBondContact O-CG 3.47Å; D470-E474 PolarHBondContact O-N 3.27Å |
| 471 | I | 76.9 | Confident | 60 | Low | 0 Ų | 0 | 86.7 Ų | 86.7 | 0% | 0 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -81.3 | -27.2 | 177.9 | -162.8 | 54.1 | 0 | 0 | 0 | 113.3 | Y237 K270 K273 I274 D468 P469 E474 I475 | Y237-I471 HydrophobicContact CE2-CD1 3.98Å; K270-I471 HydrophobicContact CB-CB 4.48Å; K270-I471 HydrophobicContact CB-CD1 3.94Å; K270-I471 HydrophobicContact CB-CG1 3.93Å; K270-I471 HydrophobicContact CD-CB 4.04Å; K270-I471 HydrophobicContact CD-CD1 4.22Å; K270-I471 HydrophobicContact CD-CG1 4.3Å; K270-I471 HydrophobicContact CG-CB 3.98Å; K270-I471 HydrophobicContact CG-CD1 4.26Å; K270-I471 HydrophobicContact CG-CG1 3.99Å; K270-I471 HydrophobicContact CG-CG2 4.47Å; K273-I471 HydrophobicContact CD-CG2 3.72Å; I274-I471 HydrophobicContact CD1-CD1 3.99Å; I274-I471 HydrophobicContact CG1-CD1 4.07Å; D468-I471 WeakPolarHBondContact O-CG2 3.4Å; D468-I471 PolarHBondContact O-N 2.87Å; P469-I471 VanDerWaalsContact C-N 3.26Å; P469-I471 PolarHBondContact O-N 3.24Å; I471-E474 HydrophobicContact CD1-CB 4.34Å; I471-E474 WeakPolarHBondContact CD1-OE2 3.45Å; I471-I475 HydrophobicContact CG1-CD1 4.33Å; I471-I475 WeakPolarHBondContact O-CB 3.38Å; I471-I475 WeakPolarHBondContact O-CD1 3.22Å; I471-I475 VanDerWaalsContact O-CG1 3.23Å; I471-I475 WeakPolarHBondContact O-CG1 3.42Å; I471-I475 PolarHBondContact O-N 3.33Å; I471-I475 VanDerWaalsContact O-N 3.09Å |
| 472 | E | 76.8 | Confident | 60.8 | Low | 70 Ų | 70 | 85.1 Ų | 85.1 | 33% | 0.327 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -76.5 | -37.8 | 174.6 | -81.5 | 143.6 | -136.1 | 0 | 0 | 110.2 | K273 S467 P469 I475 E476 | K273-E472 IonicContact NZ-OE1 3.32Å; K273-E472 PolarHBondContact NZ-OE1 3.33Å; S467-E472 WeakPolarHBondContact CA-OE1 3.48Å; S467-E472 WeakPolarHBondContact CB-OE1 3.37Å; S467-E472 WeakPolarHBondContact CB-OE2 3.46Å; S467-E472 VanDerWaalsContact OG-CD 3.24Å; S467-E472 PolarHBondContact OG-OE1 3.49Å; S467-E472 PolarHBondContact OG-OE2 2.85Å; P469-E472 CarbonylContact O-C 3.59Å; P469-E472 WeakPolarHBondContact O-CA 3.42Å; P469-E472 PolarHBondContact O-N 3.4Å; E472-I475 PolarHBondContact O-N 3.28Å; E472-E476 WeakPolarHBondContact O-CB 3.44Å; E472-E476 WeakPolarHBondContact O-CG 3.24Å; E472-E476 PolarHBondContact O-N 3.46Å |
| 473 | D | 77.1 | Confident | 61.3 | Low | 110 Ų | 110 | 81.4 Ų | 81.4 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.7 | -44 | 167.4 | -76.4 | -33.5 | 0 | 0 | 0 | 112 | P469 I475 E476 A477 | P469-D473 PolarHBondContact O-N 3.32Å; D473-I475 PolarHBondContact O-N 3.29Å; D473-E476 PolarHBondContact O-N 3.06Å; D473-A477 VanDerWaalsContact O-CB 3.22Å; D473-A477 WeakPolarHBondContact O-CB 3.17Å; D473-A477 PolarHBondContact O-N 3.09Å |
| 474 | E | 78.6 | Confident | 61.6 | Low | 51 Ų | 51 | 77.3 Ų | 77.3 | 24% | 0.238 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 173.8 | -80.8 | -167 | 154.6 | 0 | 0 | 112.7 | Y237 D470 I471 S478 | Y237-E474 PolarHBondContact OH-OE2 3.22Å; D470-E474 WeakPolarHBondContact O-CG 3.47Å; D470-E474 PolarHBondContact O-N 3.27Å; I471-E474 HydrophobicContact CD1-CB 4.34Å; I471-E474 WeakPolarHBondContact CD1-OE2 3.45Å; E474-S478 PolarHBondContact O-N 3.2Å |
| 475 | I | 79.1 | Confident | 62 | Low | 22 Ų | 22 | 81.9 Ų | 81.9 | 11% | 0.113 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -72.4 | -39.3 | 178.2 | -72 | 168.2 | 0 | 0 | 0 | 111 | L230 K277 I471 E472 D473 S478 T479 | L230-I475 HydrophobicContact CD2-CG1 4.49Å; K277-I475 HydrophobicContact CD-CG2 3.95Å; K277-I475 HydrophobicContact CG-CG2 4.01Å; I471-I475 HydrophobicContact CG1-CD1 4.33Å; I471-I475 WeakPolarHBondContact O-CB 3.38Å; I471-I475 WeakPolarHBondContact O-CD1 3.22Å; I471-I475 VanDerWaalsContact O-CG1 3.23Å; I471-I475 WeakPolarHBondContact O-CG1 3.42Å; I471-I475 PolarHBondContact O-N 3.33Å; I471-I475 VanDerWaalsContact O-N 3.09Å; E472-I475 PolarHBondContact O-N 3.28Å; D473-I475 PolarHBondContact O-N 3.29Å; I475-S478 WeakPolarHBondContact O-CB 3.46Å; I475-S478 PolarHBondContact O-N 3.47Å; I475-S478 PolarHBondContact O-OG 2.93Å; I475-T479 PolarHBondContact O-OG1 3.11Å |
| 476 | E | 76.3 | Confident | 61.8 | Low | 115 Ų | 115 | 81.2 Ų | 81.2 | 54% | 0.537 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 174.2 | -76.9 | -148.7 | -175.3 | 0 | 0 | 112.2 | E472 D473 S478 T479 Q480 | E472-E476 WeakPolarHBondContact O-CB 3.44Å; E472-E476 WeakPolarHBondContact O-CG 3.24Å; E472-E476 PolarHBondContact O-N 3.46Å; D473-E476 PolarHBondContact O-N 3.06Å; E476-S478 PolarHBondContact O-N 3.03Å; E476-T479 CarbonylContact O-C 3.59Å; E476-T479 WeakPolarHBondContact O-CA 3.45Å; E476-T479 VanDerWaalsContact O-CB 3.28Å; E476-T479 WeakPolarHBondContact O-CB 3.27Å; E476-T479 PolarHBondContact O-N 3.3Å; E476-Q480 WeakPolarHBondContact O-CG 3.18Å; E476-Q480 PolarHBondContact O-N 3.12Å; E476-Q480 PolarHBondContact OE2-NE2 3.4Å |
| 477 | A | 73.1 | Confident | 62.2 | Low | 39 Ų | 39 | 86.3 Ų | 86.3 | 32% | 0.322 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.1 | -37.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D473 T479 Q480 Q481 | D473-A477 VanDerWaalsContact O-CB 3.22Å; D473-A477 WeakPolarHBondContact O-CB 3.17Å; D473-A477 PolarHBondContact O-N 3.09Å; A477-T479 PolarHBondContact O-N 2.95Å; A477-T479 VanDerWaalsContact O-N 3.17Å; A477-Q480 PolarHBondContact O-N 3.36Å; A477-Q481 PolarHBondContact O-N 3.42Å |
| 478 | S | 73.9 | Confident | 62.4 | Low | 13 Ų | 13 | 90.8 Ų | 90.8 | 9% | 0.091 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62 | -19.5 | 173.7 | 85.9 | 0 | 0 | 0 | 0 | 114.1 | Q226 E474 I475 E476 | Q226-S478 PolarHBondContact NE2-OG 2.82Å; E474-S478 PolarHBondContact O-N 3.2Å; I475-S478 WeakPolarHBondContact O-CB 3.46Å; I475-S478 PolarHBondContact O-N 3.47Å; I475-S478 PolarHBondContact O-OG 2.93Å; E476-S478 PolarHBondContact O-N 3.03Å |
| 479 | T | 69.9 | Low | 62 | Low | 82 Ų | 82 | 95 Ų | 95 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -95.4 | -39.2 | 176.2 | -49.5 | 0 | 0 | 0 | 0 | 111.3 | Q226 I475 E476 A477 Q481 | Q226-T479 PolarHBondContact NE2-OG1 3.44Å; I475-T479 PolarHBondContact O-OG1 3.11Å; E476-T479 CarbonylContact O-C 3.59Å; E476-T479 WeakPolarHBondContact O-CA 3.45Å; E476-T479 VanDerWaalsContact O-CB 3.28Å; E476-T479 WeakPolarHBondContact O-CB 3.27Å; E476-T479 PolarHBondContact O-N 3.3Å; A477-T479 PolarHBondContact O-N 2.95Å; A477-T479 VanDerWaalsContact O-N 3.17Å; T479-Q481 PolarHBondContact O-N 2.81Å |
| 480 | Q | 62.8 | Low | 61.5 | Low | 134 Ų | 134 | 97.2 Ų | 97.2 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.6 | -26.9 | -175.9 | -65.4 | -176.3 | 31.8 | 0 | 0 | 113.5 | E476 A477 H482 G483 | E476-Q480 WeakPolarHBondContact O-CG 3.18Å; E476-Q480 PolarHBondContact O-N 3.12Å; E476-Q480 PolarHBondContact OE2-NE2 3.4Å; A477-Q480 PolarHBondContact O-N 3.36Å; Q480-H482 PolarHBondContact O-N 3.08Å; Q480-G483 PolarHBondContact O-N 2.97Å; Q480-G483 VanDerWaalsContact O-N 3.12Å |
| 481 | Q | 56.7 | Low | 60.6 | Low | 159 Ų | 159 | 102.5 Ų | 102.5 | 74% | 0.743 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 9.6 | 174.3 | -75.4 | -169 | -0.8 | 0 | 0 | 115.6 | A477 T479 | A477-Q481 PolarHBondContact O-N 3.42Å; T479-Q481 PolarHBondContact O-N 2.81Å |
| 482 | H | 51.3 | Low | 58.9 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 42% | 0.421 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.7 | 11.4 | 172.9 | -151.7 | 59.4 | 0 | 0 | 0 | 114.5 | A222 Q480 | A222-H482 WeakPolarHBondContact CB-CD2 3.49Å; A222-H482 WeakPolarHBondContact CB-NE2 3.42Å; Q480-H482 PolarHBondContact O-N 3.08Å |
| 483 | G | 45.3 | Very low | 57.3 | Low | 75 Ų | 75 | 115.4 Ų | 115.4 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -87.4 | -20.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q480 | Q480-G483 PolarHBondContact O-N 2.97Å; Q480-G483 VanDerWaalsContact O-N 3.12Å |
| 484 | A | 47.1 | Very low | 55.2 | Low | 86 Ų | 86 | 117.3 Ų | 117.3 | 71% | 0.711 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -131.9 | 136.7 | -170 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 485 | E | 49.2 | Very low | 53.5 | Low | 194 Ų | 194 | 122.9 Ų | 122.9 | 91% | 0.907 | 66% | 0.662 | S | S | * | * | trans | 40.1 | 90.2 | 148.1 | -67.8 | 167.9 | -150.9 | 0 | 0 | 117.8 | ||||
| 486 | D | 42.3 | Very low | 51.5 | Low | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | trans | -147.3 | 93.2 | 145.8 | -155.7 | 15.8 | 0 | 0 | 0 | 105.7 | ||||
| 487 | D | 53 | Low | 49.6 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 83% | 0.829 | 70% | 0.7 | S | S | * | * | trans | -150.9 | 54.9 | -168.5 | -160.2 | 37.8 | 0 | 0 | 0 | 109.6 | ||||
| 488 | D | 46 | Very low | 47.9 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | trans | -145.8 | 147.1 | 171.2 | -133.6 | -8.4 | 0 | 0 | 0 | 111.8 | ||||
| 489 | D | 43.8 | Very low | 46.2 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | 33.3 | 94.2 | 168.1 | -71.8 | -25 | 0 | 0 | 0 | 122 | ||||
| 490 | N | 48.3 | Very low | 44.6 | Very low | 129 Ų | 129 | 145 Ų | 145 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | 34.2 | 104.8 | 105.2 | -173.8 | 98.1 | 0 | 0 | 0 | 118.8 | |||||
| 491 | E | 44.8 | Very low | 43.6 | Very low | 196 Ų | 196 | 142.5 Ų | 142.5 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -122.9 | 155.9 | 143.2 | -80.8 | -157.6 | 175.3 | 0 | 0 | 110.5 | ||||
| 492 | E | 41.1 | Very low | 42.6 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -91.2 | 156.7 | -151.2 | -56.5 | 179.7 | 131.6 | 0 | 0 | 115.1 | N494 | E492-N494 PolarHBondContact O-N 3.36Š| ||
| 493 | D | 42.9 | Very low | 42 | Very low | 167 Ų | 167 | 145 Ų | 145 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -61.8 | 127.8 | 166 | -73.7 | -52.3 | 0 | 0 | 0 | 111 | ||||
| 494 | N | 34.6 | Very low | 41.5 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -151.5 | 66.1 | 159.5 | -162.8 | 14.9 | 0 | 0 | 0 | 112.6 | E492 N496 | E492-N494 PolarHBondContact O-N 3.36Å; N494-N496 PolarHBondContact O-N 3.26Å | ||
| 495 | D | 42.2 | Very low | 40.9 | Very low | 168 Ų | 168 | 149 Ų | 149 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -71.1 | 100.9 | 161.1 | -90.3 | -30.5 | 0 | 0 | 0 | 109.4 | ||||
| 496 | N | 36.6 | Very low | 40.4 | Very low | 126 Ų | 126 | 146 Ų | 146 | 67% | 0.674 | 80% | 0.801 | S | S | * | * | trans | -155.3 | 171.5 | 154.4 | -150.8 | 44.2 | 0 | 0 | 0 | 114.2 | N494 | N494-N496 PolarHBondContact O-N 3.26Š| ||
| 497 | E | 36.2 | Very low | 40.1 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 80.3 | 117.2 | -179.3 | -52 | -50.1 | 145.5 | 0 | 0 | 115.8 | ||||
| 498 | A | 38.6 | Very low | 39.5 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -107.5 | -172.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 499 | D | 37.3 | Very low | 38.9 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | -57.5 | 136.8 | 170.7 | -59.3 | -78.3 | 0 | 0 | 0 | 112.6 | ||||
| 500 | E | 36.3 | Very low | 38.4 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -151.6 | 157.2 | 139.1 | -105.9 | -57.3 | 172.7 | 0 | 0 | 109.5 | ||||
| 501 | A | 41.5 | Very low | 37.8 | Very low | 82 Ų | 82 | 143.9 Ų | 143.9 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -112 | 155.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 502 | V | 36.3 | Very low | 37.1 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | trans | -141.3 | 131.7 | 158.2 | -169 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 503 | D | 37.9 | Very low | 36.7 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -90.4 | 154.7 | 179 | -91.6 | -47.7 | 0 | 0 | 0 | 114.1 | ||||
| 504 | D | 35.4 | Very low | 36.1 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | trans | 34.7 | 123 | 140.1 | -158.1 | 0.5 | 0 | 0 | 0 | 122 | ||||
| 505 | A | 34.8 | Very low | 36 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -167.6 | 79 | 148.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 506 | D | 38 | Very low | 35.5 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | 40.2 | 140.4 | 129.7 | -160.1 | 28.2 | 0 | 0 | 0 | 125.6 | |||||
| 507 | N | 37.5 | Very low | 35 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 56% | 0.561 | 76% | 0.761 | S | S | * | * | trans | 83.4 | 129.6 | 142.2 | -104.4 | -40.9 | 0 | 0 | 0 | 126.2 | ||||
| 508 | K | 39.2 | Very low | 34.6 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | trans | 66.4 | 157 | 144.3 | -73.4 | 155.9 | 175.7 | -75.2 | 0 | 120.5 | ||||
| 509 | E | 34.2 | Very low | 34.3 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | cis | -153.3 | 131.5 | -14.7 | -120.2 | 152.7 | -166.8 | 0 | 0 | 106 | ||||
| 510 | D | 32.9 | Very low | 34.2 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | 76.3 | 145.1 | 94.1 | -166 | 33.6 | 0 | 0 | 0 | 116.7 | |||||
| 511 | Q | 35.9 | Very low | 33.9 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | 65.6 | 149.6 | 173.5 | -67.9 | 162.4 | 64.6 | 0 | 0 | 117.2 | ||||
| 512 | T | 29.9 | Very low | 33.6 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | cis | -163.6 | 141.6 | -6.9 | 18.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 513 | L | 32.2 | Very low | 33.6 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | trans | 51.6 | 175.1 | 134.6 | -65.7 | 176.1 | 0 | 0 | 0 | 123.1 | ||||
| 514 | D | 31 | Very low | 33.3 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | 65.5 | 107.6 | 175.7 | -55.1 | -12.7 | 0 | 0 | 0 | 114.9 | ||||
| 515 | E | 33 | Very low | 33.3 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | cis | 63.8 | 96.1 | 41.7 | -159.4 | -175 | 152.9 | 0 | 0 | 114.3 | ||||
| 516 | T | 30.2 | Very low | 33.2 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 89% | 0.89 | 72% | 0.724 | S | S | * | * | -170.3 | 151.6 | 128.7 | 14.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 517 | G | 27.7 | Very low | 33 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | -124.6 | 148.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 518 | S | 28 | Very low | 32.7 | Very low | 123 Ų | 123 | 134 Ų | 134 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -150.8 | 152.8 | 161.1 | -153.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 519 | T | 31.7 | Very low | 32.6 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | -100.4 | -172.9 | 176.8 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 520 | K | 33.7 | Very low | 32.6 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 70% | 0.704 | 75% | 0.752 | S | S | * | * | trans | 87 | 145.3 | 165.5 | -54.6 | -161.7 | 140.1 | -65.8 | 0 | 117 | ||||
| 521 | D | 31.2 | Very low | 32.8 | Very low | 101 Ų | 101 | 135 Ų | 135 | 54% | 0.54 | 75% | 0.754 | S | S | . | * | cis | -161.6 | 157.2 | -19.3 | -83.1 | -29 | 0 | 0 | 0 | 106.7 | ||||
| 522 | E | 36 | Very low | 32.6 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | 47.9 | 148.1 | 143.4 | -69 | 168.5 | -167.5 | 0 | 0 | 121.8 | ||||
| 523 | D | 34.5 | Very low | 32.9 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | cis | -143.3 | -130 | -14.5 | -168 | 23.8 | 0 | 0 | 0 | 107.6 | ||||
| 524 | D | 32.7 | Very low | 33.9 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | cis | -159.3 | 154.9 | -4.1 | 153.2 | 49.9 | 0 | 0 | 0 | 108.2 | ||||
| 525 | S | 35.1 | Very low | 33.8 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | trans | 68.6 | 145.2 | 155.7 | -87.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 526 | T | 31.9 | Very low | 33.9 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | -163.4 | 141.3 | -27.3 | 5.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 527 | S | 34.8 | Very low | 33.8 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | 37 | 124.2 | 138.5 | -158.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 528 | D | 31.8 | Very low | 34.2 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | -162.5 | 161.3 | 96.4 | -148.5 | -5.7 | 0 | 0 | 0 | 112.8 | |||||
| 529 | E | 36.8 | Very low | 34.4 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 65% | 0.654 | 76% | 0.761 | S | S | * | * | trans | -102.7 | 154.5 | 178.7 | -84.7 | -148.2 | 127.2 | 0 | 0 | 113.7 | ||||
| 530 | T | 33.2 | Very low | 34.5 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 91% | 0.914 | 76% | 0.764 | S | S | * | * | -156.6 | 147.5 | 126.8 | -8.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 531 | Q | 38.2 | Very low | 35.3 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | -96.2 | 164.2 | -175.6 | -55.7 | 175.3 | 10.2 | 0 | 0 | 112.4 | ||||
| 532 | I | 30.7 | Very low | 35.6 | Very low | 168 Ų | 168 | 145 Ų | 145 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | trans | 173.8 | 138.2 | 132.3 | -86.7 | 150.3 | 0 | 0 | 0 | 109.2 | ||||
| 533 | S | 36.7 | Very low | 35.4 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -128.2 | -177 | 175.6 | -56.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 534 | P | 54.1 | Low | 35.5 | Very low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | -122.3 | 171.3 | -66.4 | 38.1 | -25.8 | 0 | 0 | 0 | 111.5 | |||||
| 535 | M | 28.2 | Very low | 36.4 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 94% | 0.941 | 78% | 0.777 | S | S | * | * | trans | -146.8 | 149.3 | 163.8 | -87 | -60 | 145.7 | 0 | 0 | 112.5 | ||||
| 536 | S | 34 | Very low | 36.3 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -93.2 | 166.7 | 171 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 537 | D | 29.8 | Very low | 36.3 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | 176.2 | 144.9 | 111.4 | -89.5 | -1.8 | 0 | 0 | 0 | 113.7 | |||||
| 538 | I | 35.2 | Very low | 36.3 | Very low | 165 Ų | 165 | 142 Ų | 142 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -89.5 | 144.2 | 172.8 | -64.6 | 167.3 | 0 | 0 | 0 | 108.6 | ||||
| 539 | R | 31.7 | Very low | 36.3 | Very low | 239 Ų | 239 | 143.3 Ų | 143.3 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -110.9 | 124.5 | 177.5 | -74.9 | -175.3 | 175.2 | 177.2 | 0.3 | 112.7 | ||||
| 540 | S | 34.7 | Very low | 36 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -130 | 133.1 | 159.7 | -64.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 541 | P | 49.8 | Very low | 36 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -104.9 | 168.5 | 162.1 | 37.6 | -30 | 0 | 0 | 0 | 111.6 | ||||
| 542 | R | 37.1 | Very low | 35.7 | Very low | 217 Ų | 217 | 141.8 Ų | 141.8 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | cis | 175.7 | 127.7 | -28.1 | 177.3 | -170.9 | -172.2 | -170 | 3.2 | 107.1 | ||||
| 543 | D | 33 | Very low | 35.6 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -177.3 | -179.3 | 132.5 | -96.9 | -19.5 | 0 | 0 | 0 | 112.3 | ||||
| 544 | S | 35.6 | Very low | 35.3 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -154.3 | -158.4 | -156.8 | -46.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 545 | P | 52 | Low | 34.1 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -138.2 | -171.5 | -16.7 | 38.5 | -19 | 0 | 0 | 0 | 115.6 | ||||
| 546 | S | 32.5 | Very low | 34.2 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | 80.8 | 147.9 | 152.6 | -61.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 547 | Q | 33 | Very low | 34.1 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 77% | 0.771 | 75% | 0.749 | S | S | * | * | cis | -163.3 | 166.4 | -5.1 | -119.5 | 167.4 | 71.7 | 0 | 0 | 113.4 | ||||
| 548 | S | 34.8 | Very low | 34.7 | Very low | 90 Ų | 90 | 141 Ų | 141 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | 60.5 | 117.7 | 154.2 | 51.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 549 | E | 30.9 | Very low | 34.5 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | 79.3 | 150.8 | 83.9 | -72.6 | 178.3 | 135.9 | 0 | 0 | 115.8 | |||||
| 550 | S | 31.9 | Very low | 34.4 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | cis | -172 | 167.2 | -24.7 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 551 | M | 31.9 | Very low | 34.3 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | trans | 72 | 137.3 | 150.2 | -64.6 | -111.4 | 81.6 | 0 | 0 | 124.5 | ||||
| 552 | Q | 32.7 | Very low | 33.3 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | 66.5 | 169.1 | 141.8 | -72.2 | -179.2 | -29.7 | 0 | 0 | 121.8 | ||||
| 553 | T | 27.7 | Very low | 33.1 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | -173.2 | 145 | -68.4 | 35.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 554 | D | 31.1 | Very low | 34.1 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | 88.3 | 152.5 | 146.8 | -118.7 | -31.2 | 0 | 0 | 0 | 125 | ||||
| 555 | E | 28.1 | Very low | 33.8 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | 57.5 | 153.3 | 156.6 | -63.9 | -141.7 | 117 | 0 | 0 | 123.8 | ||||
| 556 | Q | 30.1 | Very low | 32.7 | Very low | 133 Ų | 133 | 120.5 Ų | 120.5 | 62% | 0.621 | 71% | 0.709 | S | S | * | * | cis | -171.1 | 142.5 | -41.4 | -122.9 | -166.5 | 87.3 | 0 | 0 | 112.2 | ||||
| 557 | Q | 32.1 | Very low | 32.5 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 67% | 0.673 | 71% | 0.711 | S | S | * | * | trans | 57.7 | 177.7 | 149.9 | -83.9 | -156.5 | -2.1 | 0 | 0 | 120.6 | ||||
| 558 | P | 42.9 | Very low | 32.3 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 71% | 0.71 | S | S | * | * | cis | -117.9 | 163 | -5.7 | 42.8 | -29.9 | 0 | 0 | 0 | 113.6 | ||||
| 559 | S | 30.9 | Very low | 32.1 | Very low | 80 Ų | 80 | 126.3 Ų | 126.3 | 56% | 0.559 | 72% | 0.719 | S | S | * | * | cis | 80.3 | 136.9 | 24.2 | -48 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 560 | T | 30.2 | Very low | 31.9 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | cis | -120.6 | -163 | -7 | 55.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 561 | N | 30.9 | Very low | 31.7 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | cis | -158.3 | -173.7 | 9 | -142.4 | -17.8 | 0 | 0 | 0 | 106.7 | S563 | N561-S563 PolarHBondContact ND2-OG 2.75Å; N561-S563 PolarHBondContact OD1-OG 2.97Å | ||
| 562 | G | 28.8 | Very low | 31.3 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | cis | 173.2 | -178.7 | 2.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 563 | S | 33.8 | Very low | 31.6 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | cis | -168.8 | 178.9 | -3.8 | -119.5 | 0 | 0 | 0 | 0 | 109.2 | N561 | N561-S563 PolarHBondContact ND2-OG 2.75Å; N561-S563 PolarHBondContact OD1-OG 2.97Å | ||
| 564 | P | 54.3 | Low | 31.6 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | trans | -106.6 | -158.4 | -140.5 | 41.7 | -32.4 | 0 | 0 | 0 | 114 | ||||
| 565 | A | 29.7 | Very low | 31.7 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | cis | -159.3 | -179.7 | 26.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 566 | A | 27.4 | Very low | 31.8 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | cis | -146.7 | 159.1 | 13.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 567 | L | 29 | Very low | 31.7 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | cis | 64.9 | 131.3 | 42.7 | -60.4 | 176 | 0 | 0 | 0 | 112.9 | ||||
| 568 | Q | 29.8 | Very low | 31.5 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | cis | -135.1 | 162.5 | -3.8 | -84.8 | 125 | -51.6 | 0 | 0 | 108.3 | ||||
| 569 | Q | 29.9 | Very low | 30.8 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | 89.8 | 109.7 | 29.1 | -153.7 | 179.4 | 24.6 | 0 | 0 | 115.6 | ||||
| 570 | S | 26.4 | Very low | 30.8 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -172.1 | 136.6 | 163.8 | 16 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 571 | E | 27.6 | Very low | 31.6 | Very low | 186 Ų | 186 | 125.7 Ų | 125.7 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | 66.3 | 126.7 | 57.8 | -66.9 | -178.5 | -164.4 | 0 | 0 | 112.3 | |||||
| 572 | D | 23.8 | Very low | 31.4 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | cis | -152.6 | -176.5 | 0.2 | -165.4 | 12.9 | 0 | 0 | 0 | 111.5 | ||||
| 573 | L | 39.8 | Very low | 31.4 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -54.3 | 156.2 | -175.9 | -68.3 | 159.8 | 0 | 0 | 0 | 116.5 | ||||
| 574 | S | 26.6 | Very low | 31.1 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -144.8 | 123.9 | 161.1 | -172.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 575 | N | 33.8 | Very low | 29.8 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | trans | -118.8 | 145.8 | 173.4 | -76 | -63.9 | 0 | 0 | 0 | 109.4 | ||||
| 576 | Q | 29.2 | Very low | 31.3 | Very low | 203 Ų | 203 | 131.4 Ų | 131.4 | 95% | 0.949 | 77% | 0.771 | S | S | * | * | 171.6 | 173.6 | 123 | -95.9 | 168.4 | 103.3 | 0 | 0 | 113.4 | |||||
| 577 | A | 27.8 | Very low | 31.4 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -127 | 172.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 578 | S | 29.8 | Very low | 31.4 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 92% | 0.923 | 79% | 0.785 | S | S | * | * | trans | 73.1 | 148.2 | 165.2 | -157.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 579 | G | 27.4 | Very low | 31.2 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 179.7 | 50.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 580 | V | 30.6 | Very low | 32.1 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | 74.1 | 148.5 | 144.6 | 171.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 581 | P | 47.5 | Very low | 32.3 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | trans | -119.8 | -155.7 | -159.4 | 39.4 | -20.2 | 0 | 0 | 0 | 114.7 | ||||
| 582 | V | 27 | Very low | 32.4 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | -164.2 | 165.9 | 86.1 | 157.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 583 | T | 29.1 | Very low | 33.5 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | -52.4 | -178.6 | -176.6 | 57.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 584 | D | 27.5 | Very low | 33.4 | Very low | 152 Ų | 152 | 122.3 Ų | 122.3 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | cis | -155.2 | -172.5 | 30 | -106.3 | -56 | 0 | 0 | 0 | 113.9 | ||||
| 585 | D | 26.4 | Very low | 34 | Very low | 144 Ų | 144 | 121.1 Ų | 121.1 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -84.8 | -146.7 | -177.6 | -168.7 | 39.2 | 0 | 0 | 0 | 114.3 | ||||
| 586 | P | 60 | Low | 34.2 | Very low | 92 Ų | 92 | 119.1 Ų | 119.1 | 60% | 0.597 | 78% | 0.781 | S | S | * | * | -100 | 167 | -104.1 | 37.4 | -29.2 | 0 | 0 | 0 | 118 | |||||
| 587 | T | 29.7 | Very low | 34.4 | Very low | 138 Ų | 138 | 115.9 Ų | 115.9 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | 34.9 | 111.1 | 145.8 | -51.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 588 | A | 30.1 | Very low | 34.9 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 168.1 | 170.2 | 134.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 589 | L | 26 | Very low | 35.2 | Very low | 167 Ų | 167 | 117.1 Ų | 117.1 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -72.8 | -176.6 | 171.7 | -65.9 | 163.9 | 0 | 0 | 0 | 113.1 | ||||
| 590 | P | 48.6 | Very low | 35.4 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | cis | -142.2 | 173 | 3.4 | 39.9 | -19.2 | 0 | 0 | 0 | 119.4 | ||||
| 591 | S | 30.6 | Very low | 35.5 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 67.6 | 117 | 138.2 | -73.5 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 592 | S | 28 | Very low | 35.8 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | 74.9 | 163.6 | 123.8 | -56.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 593 | P | 48.2 | Very low | 36.2 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | cis | -127.9 | 170.6 | -4.7 | 41.9 | -27.5 | 0 | 0 | 0 | 116.2 | ||||
| 594 | A | 36.6 | Very low | 37.2 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | 32 | 143.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 595 | A | 40.3 | Very low | 37.7 | Very low | 98 Ų | 98 | 116.7 Ų | 116.7 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | cis | -156 | 178.3 | 12.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 596 | A | 37.6 | Very low | 38.5 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | cis | -141.3 | -144.2 | 4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 597 | V | 32.9 | Very low | 37.1 | Very low | 134 Ų | 134 | 118 Ų | 118 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | cis | -127.3 | -118.3 | 9.9 | -162.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 598 | T | 39.5 | Very low | 37.5 | Very low | 110 Ų | 110 | 117 Ų | 117 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | -153.5 | 145.1 | -177.1 | 54 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 599 | N | 35 | Very low | 37.5 | Very low | 141 Ų | 141 | 118.6 Ų | 118.6 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | cis | -116.4 | -167.7 | 6.1 | -63.5 | -86.2 | 0 | 0 | 0 | 108.7 | ||||
| 600 | G | 32.2 | Very low | 38.3 | Very low | 63 Ų | 63 | 116.3 Ų | 116.3 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | cis | 75.2 | 172.8 | 15.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 601 | N | 32 | Very low | 37.8 | Very low | 146 Ų | 146 | 118.2 Ų | 118.2 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | cis | -165.8 | 161.6 | -6.6 | -119.9 | 1.3 | 0 | 0 | 0 | 108.8 | ||||
| 602 | P | 55.4 | Low | 38.1 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | cis | -121.5 | -175 | -1.5 | 37.1 | -19.7 | 0 | 0 | 0 | 114.6 | ||||
| 603 | S | 33.8 | Very low | 38.5 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | trans | -82.6 | -174.8 | -176.7 | -118.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 604 | P | 51 | Low | 37.8 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | cis | -136.1 | 158 | 21.6 | 41.1 | -22.3 | 0 | 0 | 0 | 119.8 | ||||
| 605 | E | 38.3 | Very low | 37.4 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | trans | 33.8 | 141.4 | 135.6 | -56.8 | -161.2 | 105.6 | 0 | 0 | 121.4 | ||||
| 606 | Q | 41.9 | Very low | 37 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | cis | -163.3 | 172.3 | 7.9 | -125.8 | -174.5 | 54 | 0 | 0 | 108 | ||||
| 607 | N | 31.5 | Very low | 37 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 65% | 0.652 | 74% | 0.739 | S | S | * | * | cis | -146.2 | -156.5 | -1.8 | -156 | -22.1 | 0 | 0 | 0 | 109.4 | ||||
| 608 | T | 38.1 | Very low | 36.9 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | -140.8 | 170.5 | -162.9 | 61.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 609 | V | 29.8 | Very low | 36.7 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | -175.6 | 120.6 | 118.2 | 152 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 610 | T | 42.9 | Very low | 36.4 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | -157.2 | 155.5 | 161.9 | 40 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 611 | V | 38.4 | Very low | 36.2 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | -144.6 | 147.4 | 173.1 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 612 | E | 35.9 | Very low | 36.1 | Very low | 133 Ų | 133 | 131 Ų | 131 | 62% | 0.621 | 76% | 0.755 | S | S | * | * | trans | -151.6 | 177.4 | -162.2 | -49.6 | 176.4 | 7.7 | 0 | 0 | 113.9 | ||||
| 613 | Q | 38.1 | Very low | 34.9 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | 75.2 | 155 | 153.4 | -70.8 | 166.3 | 53.5 | 0 | 0 | 117.9 | ||||
| 614 | S | 33 | Very low | 35.7 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | cis | -152.3 | -176.3 | -2.4 | -109.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 615 | D | 28.6 | Very low | 34.9 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | cis | -165.4 | -156.8 | 41.7 | -143.5 | -52.9 | 0 | 0 | 0 | 114.4 | ||||
| 616 | T | 31.1 | Very low | 35.1 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -128.6 | -175.4 | -142.6 | 56.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 617 | Q | 37.6 | Very low | 34.6 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -112.2 | 162.1 | -171 | -57.3 | 175.4 | -4.4 | 0 | 0 | 115.2 | ||||
| 618 | T | 31.4 | Very low | 35 | Very low | 144 Ų | 144 | 129 Ų | 129 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -148.3 | -179 | 164.1 | 45.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 619 | T | 35.7 | Very low | 34.4 | Very low | 131 Ų | 131 | 134 Ų | 134 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -140 | 175.1 | -143.8 | 58.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 620 | N | 27.6 | Very low | 34.2 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | -161.7 | -179.9 | 167 | -119.3 | -106.7 | 0 | 0 | 0 | 112.1 | ||||
| 621 | G | 28.6 | Very low | 33.6 | Very low | 53 Ų | 53 | 133.5 Ų | 133.5 | 55% | 0.546 | 78% | 0.778 | S | S | . | * | cis | -170.2 | -17.9 | 6.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 622 | T | 28.7 | Very low | 33.1 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | 80.9 | 174.3 | 164.3 | -45.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 623 | S | 31.2 | Very low | 32.8 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -151.5 | -175.8 | -176 | -48.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 624 | P | 49.7 | Very low | 32.6 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | cis | -139.6 | 179.6 | -4.4 | 44.4 | -25.6 | 0 | 0 | 0 | 117.8 | ||||
| 625 | V | 34.9 | Very low | 32.5 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 37.6 | 126 | 143.6 | 174.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 626 | P | 42.1 | Very low | 33 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | -154.6 | -174.5 | 72.2 | 41.8 | -20.3 | 0 | 0 | 0 | 118.9 | |||||
| 627 | S | 31 | Very low | 33 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -116.7 | 160.6 | 174.9 | -40.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 628 | P | 39.5 | Very low | 32.6 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | -162.4 | 166.6 | 94.5 | 41.7 | -21.4 | 0 | 0 | 0 | 120.4 | |||||
| 629 | R | 25.5 | Very low | 32.6 | Very low | 220 Ų | 220 | 140.9 Ų | 140.9 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | trans | 65 | 114.9 | 144 | -85.3 | -166.7 | 170.8 | -174.6 | -1.2 | 124.9 | ||||
| 630 | T | 27.3 | Very low | 32.2 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | 65.7 | 138.1 | 130.5 | 63.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 631 | T | 29.3 | Very low | 32.3 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 74% | 0.737 | S | S | * | * | -172.6 | 148.5 | 66.6 | 35.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 632 | R | 27.9 | Very low | 32.3 | Very low | 227 Ų | 227 | 145.9 Ų | 145.9 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | 53.2 | 144.3 | 129.1 | -163.8 | -176.1 | -166 | -170.4 | 4 | 122.3 | |||||
| 633 | S | 31 | Very low | 32.3 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | cis | 176.7 | 173.1 | -24.7 | -80.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 634 | Q | 33.5 | Very low | 32.2 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | trans | 109 | 142.3 | 158.9 | -61.1 | -177.5 | 87.3 | 0 | 0 | 115.8 | ||||
| 635 | K | 31 | Very low | 31.1 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | cis | -166 | 135.4 | -2.9 | -120.7 | 173.7 | -179.6 | 155.3 | 0 | 113.7 | ||||
| 636 | R | 38.3 | Very low | 31 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | 58.7 | 159 | 144.2 | -63.8 | 167.5 | -177.8 | -179 | -3.7 | 118.7 | ||||
| 637 | K | 30.4 | Very low | 30.6 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | cis | -85.1 | -172.8 | -0 | -79.5 | 176 | 53.6 | -179.1 | 0 | 112.9 | ||||
| 638 | R | 31.1 | Very low | 30.5 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 53% | 0.532 | 74% | 0.74 | S | S | . | * | cis | 87.5 | 113.2 | 10.6 | -175.4 | 124.9 | -81.5 | -91.2 | 4 | 121.9 | E640 | R638-E640 IonicContact CZ-OE2 3.48Å; R638-E640 IonicContact NH1-OE2 3.33Å; R638-E640 PolarHBondContact NH1-OE2 3.22Å; R638-E640 IonicContact NH2-OE1 3.99Å; R638-E640 IonicContact NH2-OE2 2.73Å; R638-E640 PolarHBondContact NH2-OE2 2.84Å | ||
| 639 | E | 29.4 | Very low | 29.9 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 59% | 0.589 | 75% | 0.747 | S | S | * | * | cis | 176.2 | 157.5 | -27.9 | -105.2 | 137.1 | -110.1 | 0 | 0 | 109.8 | ||||
| 640 | E | 28.5 | Very low | 30.2 | Very low | 151 Ų | 151 | 149.3 Ų | 149.3 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 71.6 | 147.3 | 158.3 | -68 | 165.7 | 148.1 | 0 | 0 | 120 | R638 | R638-E640 IonicContact CZ-OE2 3.48Å; R638-E640 IonicContact NH1-OE2 3.33Å; R638-E640 PolarHBondContact NH1-OE2 3.22Å; R638-E640 IonicContact NH2-OE1 3.99Å; R638-E640 IonicContact NH2-OE2 2.73Å; R638-E640 PolarHBondContact NH2-OE2 2.84Å | ||
| 641 | M | 28.6 | Very low | 30.5 | Very low | 150 Ų | 150 | 153.3 Ų | 153.3 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | cis | -160.6 | 156.7 | 40.1 | -142.6 | -173.3 | -157.1 | 0 | 0 | 114 | ||||
| 642 | M | 29 | Very low | 30.5 | Very low | 157 Ų | 157 | 156.3 Ų | 156.3 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | 63.9 | 160.5 | 162 | -57.3 | -60.7 | 174.4 | 0 | 0 | 118.8 | ||||
| 643 | S | 29.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 154.4 Ų | 154.4 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | -159.5 | 170.5 | -39.7 | -165.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 644 | S | 27.7 | Very low | 30.4 | Very low | 97 Ų | 97 | 154.8 Ų | 154.8 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -58.2 | 138.7 | -175.8 | 55.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 645 | N | 28 | Very low | 30.6 | Very low | 168 Ų | 168 | 158.9 Ų | 158.9 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | -165.1 | 149.2 | 115.6 | -107.7 | -15 | 0 | 0 | 0 | 113.8 | |||||
| 646 | S | 31.9 | Very low | 30.5 | Very low | 109 Ų | 109 | 159.4 Ų | 159.4 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -148.3 | 140.4 | 172.9 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 647 | R | 33.3 | Very low | 30.3 | Very low | 239 Ų | 239 | 153.8 Ų | 153.8 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -174.4 | 108.3 | 164.5 | -99.7 | 152.9 | -169.4 | -156.4 | 2.5 | 106.2 | ||||
| 648 | S | 29.5 | Very low | 30.9 | Very low | 94 Ų | 94 | 153 Ų | 153 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | 84 | 112.2 | 50.9 | 79.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 649 | T | 27 | Very low | 31.1 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | -131.4 | 145.7 | 143.1 | -67.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 650 | K | 32.8 | Very low | 31.6 | Very low | 186 Ų | 186 | 150.3 Ų | 150.3 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | trans | -113 | 130.6 | -172.7 | -59.6 | 175.6 | -178.3 | 178.4 | 0 | 110 | ||||
| 651 | Q | 31.9 | Very low | 32.5 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 94% | 0.944 | 79% | 0.788 | S | S | * | * | trans | -87.1 | 152.9 | 147.5 | -79.5 | 179.1 | -25.9 | 0 | 0 | 109 | ||||
| 652 | K | 29.2 | Very low | 33 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -134.1 | 98.1 | -166.2 | -178.5 | -164.9 | 176.1 | -161.5 | 0 | 108.5 | ||||
| 653 | M | 29.7 | Very low | 33.8 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | trans | -63.6 | 134.4 | 172.5 | -65.4 | -65.5 | -94 | 0 | 0 | 109.9 | ||||
| 654 | S | 27.7 | Very low | 34.3 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -128 | 120.2 | 169.9 | 48.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 655 | Y | 37 | Very low | 34.9 | Very low | 233 Ų | 233 | 146.9 Ų | 146.9 | 91% | 0.914 | 77% | 0.774 | S | S | * | * | trans | -75.8 | 127.7 | 161.3 | -77.4 | -103.3 | 0 | 0 | 0 | 108.4 | ||||
| 656 | D | 30.1 | Very low | 35.1 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -164.4 | 161.6 | 137.2 | -142.5 | -38.1 | 0 | 0 | 0 | 110.9 | ||||
| 657 | S | 34.5 | Very low | 35.3 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 68.9 | 111.5 | 160 | -57 | 0 | 0 | 0 | 0 | 118.8 | A659 | S657-A659 PolarHBondContact O-N 2.56Š| ||
| 658 | D | 41.9 | Very low | 35.1 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | trans | -58.6 | 114.2 | 157.2 | -72.8 | -71.7 | 0 | 0 | 0 | 110 | ||||
| 659 | A | 36.1 | Very low | 35.1 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -96.4 | 115.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | S657 I661 | S657-A659 PolarHBondContact O-N 2.56Å; A659-I661 PolarHBondContact O-N 3.47Å | ||
| 660 | D | 39.9 | Very low | 35.2 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | trans | -66.1 | 102.6 | 172.8 | -102.7 | -48.6 | 0 | 0 | 0 | 109.7 | R402 P662 | R402-D660 IonicContact CZ-OD1 3Å; R402-D660 VanDerWaalsContact CZ-OD1 3.25Å; R402-D660 IonicContact NH1-OD1 2.71Å; R402-D660 PolarHBondContact NH1-OD1 3.43Å; R402-D660 IonicContact NH2-OD1 3.65Å; R402-D660 PolarHBondContact NH2-OD1 2.94Å; D660-P662 VanDerWaalsContact O-CD 3.25Å; D660-P662 WeakPolarHBondContact O-CD 3.49Å | ||
| 661 | I | 46.5 | Very low | 35 | Very low | 105 Ų | 105 | 130 Ų | 130 | 54% | 0.538 | 74% | 0.737 | S | S | . | * | trans | -64.5 | 117 | 165.9 | -58.8 | 174.4 | 0 | 0 | 0 | 106.6 | A659 L663 | A659-I661 PolarHBondContact O-N 3.47Å; I661-L663 PolarHBondContact O-N 2.84Å | ||
| 662 | P | 40.1 | Very low | 35 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | trans | -61.5 | 130.8 | 177.8 | -21.6 | 34.1 | 0 | 0 | 0 | 109.7 | D660 D664 | D660-P662 VanDerWaalsContact O-CD 3.25Å; D660-P662 WeakPolarHBondContact O-CD 3.49Å; P662-D664 HydrophobicContact CB-CB 4.09Å; P662-D664 PolarHBondContact O-N 2.83Å; P662-D664 VanDerWaalsContact O-N 3.09Å | ||
| 663 | L | 44.7 | Very low | 35.2 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 50% | 0.497 | 73% | 0.73 | S | S | . | * | trans | -83.8 | 44.7 | 166 | -69.3 | 167.9 | 0 | 0 | 0 | 109.7 | L398 R402 I661 | L398-L663 HydrophobicContact CD1-CD1 3.31Å; L398-L663 HydrophobicContact CG-CD1 4.12Å; R402-L663 HydrophobicContact CG-CD1 4.16Å; R402-L663 HydrophobicContact CG-CD2 4.17Å; R402-L663 HydrophobicContact CG-CG 4.47Å; I661-L663 PolarHBondContact O-N 2.84Å | ||
| 664 | D | 40.1 | Very low | 35.1 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -83.6 | 121.2 | 176.6 | -167.1 | 22.6 | 0 | 0 | 0 | 108.5 | P662 G666 | P662-D664 HydrophobicContact CB-CB 4.09Å; P662-D664 PolarHBondContact O-N 2.83Å; P662-D664 VanDerWaalsContact O-N 3.09Å; D664-G666 PolarHBondContact O-N 2.82Å | ||
| 665 | M | 40.3 | Very low | 35.1 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | trans | -69.5 | 120.1 | 170 | -79.9 | -67.3 | -70.4 | 0 | 0 | 107 | V667 | M665-V667 PolarHBondContact O-N 2.93Š| ||
| 666 | G | 33.9 | Very low | 34.7 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | trans | -67.7 | 57.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | D664 I668 | D664-G666 PolarHBondContact O-N 2.82Å; G666-I668 PolarHBondContact O-N 3.5Å | ||
| 667 | V | 34.8 | Very low | 34.5 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 56% | 0.558 | 74% | 0.737 | S | S | * | * | trans | -73.4 | 102.9 | 167 | -176.4 | 0 | 0 | 0 | 0 | 106.5 | M665 C669 | M665-V667 PolarHBondContact O-N 2.93Å; V667-C669 PolarHBondContact O-N 2.73Å | ||
| 668 | I | 29.3 | Very low | 34.2 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | -74.6 | 75.6 | -177.6 | -49.6 | -178.4 | 0 | 0 | 0 | 109.4 | G666 C670 | G666-I668 PolarHBondContact O-N 3.5Å; I668-C670 PolarHBondContact O-N 3.33Å | ||
| 669 | C | 29.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | -65.5 | 92.5 | 171.7 | -71 | 0 | 0 | 0 | 0 | 109.2 | V667 G671 | V667-C669 PolarHBondContact O-N 2.73Å; C669-G671 PolarHBondContact O-N 2.89Å | ||
| 670 | C | 29.6 | Very low | 33.2 | Very low | 104 Ų | 104 | 126 Ų | 126 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | trans | -70.7 | 70.5 | 177.6 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | I668 S672 | I668-C670 PolarHBondContact O-N 3.33Å; C670-S672 PolarHBondContact O-N 3.29Å | ||
| 671 | G | 28.1 | Very low | 32.8 | Very low | 66 Ų | 66 | 127.6 Ų | 127.6 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 127.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | C669 P673 | C669-G671 PolarHBondContact O-N 2.89Å; G671-P673 WeakPolarHBondContact O-CD 3.17Å |
| 672 | S | 32.1 | Very low | 31.8 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 127.2 | -175.8 | -66.4 | 0 | 0 | 0 | 0 | 112 | C670 | C670-S672 PolarHBondContact O-N 3.29Š|
| 673 | P | 32.8 | Very low | 31.4 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 136.3 | 166 | -19.1 | 32.5 | 0 | 0 | 0 | 110.5 | G671 | G671-P673 WeakPolarHBondContact O-CD 3.17Š|
| 674 | Q | 28.1 | Very low | 31.2 | Very low | 190 Ų | 190 | 131.1 Ų | 131.1 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 150.2 | 171.9 | -68.8 | 177.7 | -29.9 | 0 | 0 | 110.4 | ||
| 675 | K | 28.1 | Very low | 30.7 | Very low | 198 Ų | 198 | 130.2 Ų | 130.2 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 123.8 | 169.6 | -69.6 | -178.1 | 178.2 | -178.5 | 0 | 109.4 | ||
| 676 | E | 27 | Very low | 30.3 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 133 | 152.4 | -67.8 | -167.4 | 144.4 | 0 | 0 | 108.8 | ||
| 677 | E | 27.1 | Very low | 30.1 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 132.4 | 175.6 | -62 | -172.4 | 134.7 | 0 | 0 | 109.7 | ||
| 678 | S | 27.2 | Very low | 30.2 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -137.7 | 141.9 | 163.5 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 679 | S | 28.7 | Very low | 30.2 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -124.8 | 164.8 | -158.9 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 680 | A | 29.2 | Very low | 30.2 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | 103.9 | 149.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 681 | L | 31.1 | Very low | 30.1 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -65.7 | 167.5 | 175 | -60.3 | 100.4 | 0 | 0 | 0 | 110.1 | ||||
| 682 | D | 26.9 | Very low | 30.2 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | cis | -165.2 | 178.2 | 48.4 | -156.8 | -1.6 | 0 | 0 | 0 | 113.8 | ||||
| 683 | T | 31.7 | Very low | 30.1 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 68% | 0.681 | 81% | 0.809 | S | S | * | * | trans | -108.2 | 152.5 | 178.8 | -24.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 684 | P | 39.7 | Very low | 30.2 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | -153.7 | 132.1 | 104.8 | 34.8 | -15.5 | 0 | 0 | 0 | 117.7 | |||||
| 685 | T | 28.9 | Very low | 30.4 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | trans | 26.7 | 121.6 | 131.6 | -44.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 686 | K | 32.8 | Very low | 31.1 | Very low | 202 Ų | 202 | 136.5 Ų | 136.5 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -168.7 | 143.4 | 131.4 | -104.8 | 150.5 | -171.2 | 170.9 | 0 | 113.7 | ||||
| 687 | N | 28.6 | Very low | 32.4 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -90.6 | 167.5 | 174.5 | -59.3 | -14.5 | 0 | 0 | 0 | 111.2 | ||||
| 688 | P | 37.8 | Very low | 33.3 | Very low | 136 Ų | 136 | 129 Ų | 129 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | -136.2 | 175.9 | 106.1 | 38.8 | -29.4 | 0 | 0 | 0 | 114.9 | |||||
| 689 | T | 28.5 | Very low | 33.7 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -114.1 | 141.2 | -164.2 | -47.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 690 | V | 30 | Very low | 34.3 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | trans | -141.3 | 155.2 | 156.8 | -173.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 691 | S | 27 | Very low | 34.3 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -151.3 | 152.8 | -171.9 | 169.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 692 | V | 30.2 | Very low | 34.4 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -175.3 | 160.5 | 151.6 | 141.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 693 | Q | 31.7 | Very low | 34.5 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | -76.9 | 161.3 | -167.6 | -60 | 94.9 | -54.3 | 0 | 0 | 116.4 | ||||
| 694 | S | 34.7 | Very low | 34.5 | Very low | 110 Ų | 110 | 140 Ų | 140 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | cis | 81.7 | 134.5 | 25.3 | -71.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 695 | T | 31.2 | Very low | 34.2 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | cis | -151.5 | -147.4 | -0.8 | 36.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 696 | P | 42.5 | Very low | 34.2 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -139.3 | -173.4 | -8.4 | 45.9 | -25.4 | 0 | 0 | 0 | 117.6 | ||||
| 697 | P | 55.6 | Low | 34.4 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -117.2 | 176.9 | -175.7 | 42.6 | -33.5 | 0 | 0 | 0 | 116.3 | ||||
| 698 | P | 46.4 | Very low | 34.5 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | -167.7 | 156 | 112.3 | 40.2 | -18 | 0 | 0 | 0 | 123.7 | |||||
| 699 | K | 35.4 | Very low | 34.3 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 72.8 | 109.5 | 133.5 | -67.7 | 164.9 | -168.1 | 169.2 | 0 | 128.3 | ||||
| 700 | K | 39.6 | Very low | 34.7 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | 48.5 | 148.9 | 114.6 | -61.6 | -170.5 | 177.6 | -171.5 | 0 | 127.5 | |||||
| 701 | N | 30 | Very low | 35.6 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | 95.8 | 153.8 | 157.6 | -63.3 | -17.5 | 0 | 0 | 0 | 118.4 | ||||
| 702 | K | 32.8 | Very low | 36.3 | Very low | 195 Ų | 195 | 138.6 Ų | 138.6 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | cis | -162.8 | 172.4 | -17.3 | -113.8 | -169.9 | 175.8 | -169.4 | 0 | 112.6 | ||||
| 703 | V | 30.4 | Very low | 36.7 | Very low | 120 Ų | 120 | 141 Ų | 141 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -73.9 | 152.5 | -166.8 | -153.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 704 | N | 30.8 | Very low | 37.2 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | 155.7 | 125.9 | 134.1 | -79.5 | -3 | 0 | 0 | 0 | 111.8 | ||||
| 705 | V | 32.8 | Very low | 37.3 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | 87.2 | 111.6 | 63.3 | 169.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 706 | A | 29.4 | Very low | 37.7 | Very low | 83 Ų | 83 | 141.6 Ų | 141.6 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | 148.7 | 111.1 | 139.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 707 | T | 36.4 | Very low | 37.3 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | 51.5 | 129 | 136 | 61.4 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 708 | Q | 31.9 | Very low | 36.3 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | 115.8 | 133.5 | 120 | -122.8 | -179.9 | -31 | 0 | 0 | 121.5 | |||||
| 709 | C | 32.6 | Very low | 36.1 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | trans | 81.8 | 117 | 158.8 | -60 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 710 | D | 37.2 | Very low | 36.3 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -71.1 | 172.7 | 158.6 | -41.3 | -82.8 | 0 | 0 | 0 | 111.9 | ||||
| 711 | P | 48.5 | Very low | 36.1 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -144.6 | 157.4 | 111.5 | 39.1 | -26.7 | 0 | 0 | 0 | 115.4 | |||||
| 712 | D | 42.3 | Very low | 36.4 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -63.9 | 140.8 | 159 | -48.4 | -87.1 | 0 | 0 | 0 | 111.2 | ||||
| 713 | E | 39.5 | Very low | 36.5 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -154.2 | 120.4 | 148.4 | -135 | 166.8 | -145.8 | 0 | 0 | 112 | ||||
| 714 | I | 41.4 | Very low | 36.9 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -88 | 128.4 | 179.5 | -60.5 | 166.4 | 0 | 0 | 0 | 108.9 | V716 | I714-V716 HydrophobicContact CG2-CG2 4.33Š| ||
| 715 | I | 35.8 | Very low | 37.2 | Very low | 136 Ų | 136 | 141 Ų | 141 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | trans | -127.1 | 105.7 | 170.9 | -56.4 | -178 | 0 | 0 | 0 | 110.2 | L717 | I715-L717 HydrophobicContact CG2-CD1 4.44Å; I715-L717 HydrophobicContact CG2-CG 4.23Å | ||
| 716 | V | 40.3 | Very low | 37.5 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | trans | -92.9 | 130.6 | 165.8 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | I714 | I714-V716 HydrophobicContact CG2-CG2 4.33Š| ||
| 717 | L | 34.7 | Very low | 38.1 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -140.1 | 115.1 | 165.2 | -73.5 | 177.8 | 0 | 0 | 0 | 110.1 | I715 | I715-L717 HydrophobicContact CG2-CD1 4.44Å; I715-L717 HydrophobicContact CG2-CG 4.23Å | ||
| 718 | S | 34.8 | Very low | 38.2 | Very low | 92 Ų | 92 | 146.5 Ų | 146.5 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | trans | -96.5 | 168.8 | 164.5 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 719 | D | 40.6 | Very low | 38.7 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | 68 | 137.5 | 154.4 | -63 | -6.7 | 0 | 0 | 0 | 118.5 | ||||
| 720 | S | 40.2 | Very low | 39.2 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | cis | -161.2 | 157.1 | -12.3 | -77.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 721 | D | 34.6 | Very low | 39.3 | Very low | 243 Ų | 243 | 146.8 Ų | 146.8 | 100% | 1.299 | 82% | 0.816 | S | S | * | * | trans | -163 | 0 | 133.5 | -116.6 | 1.4 | 0 | 0 | 0 | 109.7 |
Retrieved 721 of 721 residues in 413 ms
(Link to these results)