| 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 | 54.6 | Low | 50.1 | Low | 223 Ų | 223 | 142.9 Ų | 142.9 | 100% | 1.099 | 72% | 0.716 | S | S | * | * | 0 | 12.5 | 0 | -78.8 | -172.3 | -88 | 0 | 0 | 115.1 | |||||
| 2 | F | 46.4 | Very low | 49.7 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -86.1 | -13 | -178 | -96.5 | -95.3 | 0 | 0 | 0 | 116.3 | K4 | F2-K4 VanDerWaalsContact C-N 3.34Å; F2-K4 PolarHBondContact O-N 2.64Å |
| 3 | A | 49.4 | Very low | 49 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -75.7 | -16 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 4 | K | 51.7 | Low | 48.6 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 79% | 0.787 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -88.3 | -14.9 | -179.6 | -75.6 | -172.6 | 175.1 | -177.8 | 0 | 114.4 | F2 | F2-K4 VanDerWaalsContact C-N 3.34Å; F2-K4 PolarHBondContact O-N 2.64Å |
| 5 | L | 51.1 | Low | 48 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 57% | 0.571 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -81 | -39 | 176.4 | -101.6 | 79.9 | 0 | 0 | 0 | 113.2 | K7 K8 I9 | L5-K7 PolarHBondContact O-N 3.34Å; L5-K8 PolarHBondContact O-N 3.4Å; L5-K8 VanDerWaalsContact O-N 3.07Å; L5-I9 PolarHBondContact O-N 3.3Å |
| 6 | K | 50.4 | Low | 47.2 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 81% | 0.809 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -63.8 | -22.7 | -178.1 | -83.2 | -168.5 | 172.8 | -174.5 | 0 | 114.3 | ||
| 7 | K | 51.6 | Low | 46.4 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 62% | 0.617 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -77.8 | -33.8 | 173.4 | -166.5 | 176.9 | 177.8 | -170.9 | 0 | 112.5 | L5 A10 E11 | L5-K7 PolarHBondContact O-N 3.34Å; K7-A10 PolarHBondContact O-N 2.95Å; K7-E11 VanDerWaalsContact CE-OE1 3.26Å; K7-E11 WeakPolarHBondContact CE-OE1 3.5Å; K7-E11 IonicContact NZ-OE1 3.88Å |
| 8 | K | 50.3 | Low | 46.2 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 56% | 0.557 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -74.7 | -30.8 | -173.8 | -150.4 | -179.3 | -179.2 | -160.7 | 0 | 113.5 | L5 A10 E11 E12 | L5-K8 PolarHBondContact O-N 3.4Å; L5-K8 VanDerWaalsContact O-N 3.07Å; K8-A10 VanDerWaalsContact C-N 3.26Å; K8-A10 PolarHBondContact O-N 3.31Å; K8-E11 PolarHBondContact O-N 2.99Å; K8-E12 IonicContact NZ-OE1 2.61Å |
| 9 | I | 50.6 | Low | 45.9 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -21.7 | 178.1 | -62.7 | 172 | 0 | 0 | 0 | 112.2 | L5 | L5-I9 PolarHBondContact O-N 3.3Š|
| 10 | A | 46 | Very low | 45.4 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 63% | 0.628 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -13.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K7 K8 | K7-A10 PolarHBondContact O-N 2.95Å; K8-A10 VanDerWaalsContact C-N 3.26Å; K8-A10 PolarHBondContact O-N 3.31Å |
| 11 | E | 48.9 | Very low | 44.9 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 56% | 0.561 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -16.9 | -176.4 | -75.9 | 170.4 | 169.7 | 0 | 0 | 113.2 | K7 K8 | K7-E11 VanDerWaalsContact CE-OE1 3.26Å; K7-E11 WeakPolarHBondContact CE-OE1 3.5Å; K7-E11 IonicContact NZ-OE1 3.88Å; K8-E11 PolarHBondContact O-N 2.99Å |
| 12 | E | 45.1 | Very low | 43.8 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -96.7 | -8.9 | -178 | -84.2 | 173.7 | 177.9 | 0 | 0 | 115.4 | K8 A14 | K8-E12 IonicContact NZ-OE1 2.61Å; E12-A14 VanDerWaalsContact C-N 3.28Å; E12-A14 PolarHBondContact O-N 3.04Å |
| 13 | T | 40.5 | Very low | 43.3 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 77% | 0.767 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 9.6 | 178.2 | 46.1 | 0 | 0 | 0 | 0 | 115 | ||
| 14 | A | 44.3 | Very low | 42.8 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 25.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E12 | E12-A14 VanDerWaalsContact C-N 3.28Å; E12-A14 PolarHBondContact O-N 3.04Å |
| 15 | V | 39 | Very low | 42.2 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -134.1 | 119.1 | 178.4 | -176.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 16 | A | 34.8 | Very low | 41.5 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | 56.1 | 109.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 17 | Q | 34.3 | Very low | 40.7 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | -172.3 | 121.7 | 91 | -95.5 | 177.9 | 24.9 | 0 | 0 | 111.9 | |||||
| 18 | R | 43.1 | Very low | 39.9 | Very low | 241 Ų | 241 | 133 Ų | 133 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | -104.1 | 137.6 | 154.9 | -84.3 | -173.7 | 176.9 | 179.7 | -0.7 | 108.2 | ||||
| 19 | P | 39.3 | Very low | 39 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -127.8 | 139.1 | 144.4 | 33.5 | -21.5 | 0 | 0 | 0 | 111.6 | ||||
| 20 | G | 35.8 | Very low | 38 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 128.8 | 112.8 | -173 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 21 | G | 36.4 | Very low | 37.4 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | cis | 150.6 | 58.4 | 7.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | A | 31.6 | Very low | 36.6 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -148.5 | 108.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | R24 | A22-R24 PolarHBondContact O-N 3.26Š| ||
| 23 | T | 35.9 | Very low | 36 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -78 | 113.8 | -173 | -44.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 24 | R | 39.1 | Very low | 35.7 | Very low | 247 Ų | 247 | 137.9 Ų | 137.9 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | -139 | 98.7 | 156.6 | -93.4 | -169.5 | 174.4 | -172.7 | -0.8 | 109.6 | A22 | A22-R24 PolarHBondContact O-N 3.26Š| ||
| 25 | I | 37.7 | Very low | 34.9 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 141.6 | 168.3 | -67.5 | 179.9 | 0 | 0 | 0 | 108.2 | ||
| 26 | P | 36.8 | Very low | 34.6 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 157.6 | -171 | 1.7 | 17.1 | 0 | 0 | 0 | 111.9 | ||
| 27 | R | 33.6 | Very low | 34.4 | Very low | 253 Ų | 253 | 141.4 Ų | 141.4 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 118 | 164.3 | -81.2 | -172.8 | 169.2 | 111.5 | -3.2 | 110.4 | ||
| 28 | S | 34.3 | Very low | 34.2 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -149.6 | 111 | 161.8 | 56 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 29 | V | 31.9 | Very low | 33.8 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -178 | 132.5 | 111.1 | -85.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 30 | S | 29.8 | Very low | 33.4 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | 48 | 118 | 130.6 | -52.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 31 | K | 34.3 | Very low | 33.4 | Very low | 170 Ų | 170 | 134 Ų | 134 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | 109.9 | 140.4 | 112.7 | -89.9 | 177.6 | 161.5 | -131.7 | 0 | 121.8 | |||||
| 32 | E | 31.1 | Very low | 33.2 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | trans | 80.6 | 85.3 | 146.5 | -78.2 | 152.2 | -155.8 | 0 | 0 | 121.4 | ||||
| 33 | S | 32 | Very low | 33.4 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | 28.6 | 112.9 | 110.3 | -51 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 34 | V | 34 | Very low | 33.4 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | -167.1 | 153.1 | 129.8 | -97.1 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 35 | A | 27.8 | Very low | 32.9 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | cis | 171.8 | 150.9 | -24 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 36 | S | 32.6 | Very low | 32.7 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 74.6 | 135.3 | 143.8 | -130.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 37 | M | 32.2 | Very low | 32.7 | Very low | 183 Ų | 183 | 128.2 Ų | 128.2 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | trans | 65.7 | 140 | 155.8 | -36.4 | -151.8 | 81.6 | 0 | 0 | 117.6 | ||||
| 38 | G | 29.3 | Very low | 32.8 | Very low | 68 Ų | 68 | 123.5 Ų | 123.5 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | 151.1 | 157.2 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 39 | A | 34.1 | Very low | 32.8 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | 58.3 | 108.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 40 | D | 31.3 | Very low | 33.2 | Very low | 168 Ų | 168 | 121.6 Ų | 121.6 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -104.9 | 116.8 | 132 | -169.1 | 10.8 | 0 | 0 | 0 | 107.2 | ||||
| 41 | S | 35.5 | Very low | 33.7 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -122.5 | 113.5 | 173.7 | 177.8 | 0 | 0 | 0 | 0 | 102.5 | ||||
| 42 | G | 32.9 | Very low | 34.6 | Very low | 57 Ų | 57 | 117.6 Ų | 117.6 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | 98.4 | 116.2 | 66.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 43 | D | 34.9 | Very low | 35.8 | Very low | 155 Ų | 155 | 121.4 Ų | 121.4 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | 178.8 | 153.3 | 171.4 | -112.6 | 19 | 0 | 0 | 0 | 108.4 | ||||
| 44 | D | 36.7 | Very low | 37 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | cis | -163.2 | 159.6 | -38.8 | -133.1 | 15.8 | 0 | 0 | 0 | 110.8 | ||||
| 45 | F | 28.2 | Very low | 38.2 | Very low | 182 Ų | 182 | 121.9 Ų | 121.9 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | 38.4 | 122.5 | 149.6 | -88 | -108.1 | 0 | 0 | 0 | 124 | ||||
| 46 | A | 33.6 | Very low | 39.8 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | 61.7 | 98.1 | 122.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 47 | S | 35.7 | Very low | 41.6 | Very low | 105 Ų | 105 | 122.1 Ų | 122.1 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | -63.8 | 150.8 | 124.6 | -117 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 48 | D | 35.6 | Very low | 43.3 | Very low | 154 Ų | 154 | 117.4 Ų | 117.4 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | cis | -150.1 | 154.6 | 12.4 | -124.5 | -62.3 | 0 | 0 | 0 | 109.7 | ||||
| 49 | G | 35.3 | Very low | 45.3 | Very low | 69 Ų | 69 | 120.5 Ų | 120.5 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | -166.5 | 86.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S51 | G49-S51 PolarHBondContact O-N 2.94Š| ||
| 50 | S | 40.9 | Very low | 47.2 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 90% | 0.895 | 71% | 0.706 | S | S | * | * | trans | -56.5 | 122.3 | -178.2 | 43.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 51 | S | 40.6 | Very low | 49.4 | Very low | 97 Ų | 97 | 118.9 Ų | 118.9 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | trans | -149 | 154.3 | 160.4 | -166.6 | 0 | 0 | 0 | 0 | 111.5 | G49 | G49-S51 PolarHBondContact O-N 2.94Š| ||
| 52 | S | 52.4 | Low | 51.4 | Low | 91 Ų | 91 | 123.3 Ų | 123.3 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -76.5 | 157.9 | -164.3 | 44.2 | 0 | 0 | 0 | 0 | 115.4 | E54 | S52-E54 VanDerWaalsContact C-N 3.3Å; S52-E54 PolarHBondContact O-N 3.28Å | ||
| 53 | R | 55.9 | Low | 53.6 | Low | 224 Ų | 224 | 129 Ų | 129 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | -23.5 | -163.2 | -166.3 | 176.5 | -179.2 | -172.5 | -0.5 | 118.5 | ||
| 54 | E | 58.3 | Low | 55.9 | Low | 157 Ų | 157 | 125 Ų | 125 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -35.2 | -174.4 | -93.5 | 79.3 | -152.9 | 0 | 0 | 115.3 | S52 L56 | S52-E54 VanDerWaalsContact C-N 3.3Å; S52-E54 PolarHBondContact O-N 3.28Å; E54-L56 PolarHBondContact O-N 3.45Å |
| 55 | D | 57.5 | Low | 58.1 | Low | 114 Ų | 114 | 122.7 Ų | 122.7 | 61% | 0.61 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.3 | -24.7 | -171.6 | -103.9 | -27.9 | 0 | 0 | 0 | 114.3 | S57 | D55-S57 PolarHBondContact O-N 3.23Å |
| 56 | L | 63 | Low | 60.7 | Low | 109 Ų | 109 | 119.9 Ų | 119.9 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -57.9 | -34.6 | 178.2 | -87.5 | 158.7 | 0 | 0 | 0 | 112.9 | E54 L60 | E54-L56 PolarHBondContact O-N 3.45Å; L56-L60 WeakPolarHBondContact O-CB 3.36Å; L56-L60 PolarHBondContact O-N 3Å |
| 57 | S | 68.9 | Low | 63 | Low | 85 Ų | 85 | 120.1 Ų | 120.1 | 59% | 0.594 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.6 | -41.7 | -172.8 | -162.6 | 0 | 0 | 0 | 0 | 112.4 | D55 L60 L61 | D55-S57 PolarHBondContact O-N 3.23Å; S57-L60 WeakPolarHBondContact O-CB 3.28Å; S57-L60 PolarHBondContact O-N 3.41Å; S57-L61 PolarHBondContact O-N 3.27Å |
| 58 | S | 67.9 | Low | 65.4 | Low | 85 Ų | 85 | 121.3 Ų | 121.3 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.6 | -37.7 | -179.4 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | L61 R62 | S58-L61 PolarHBondContact O-N 3.09Å; S58-R62 PolarHBondContact O-N 2.72Å |
| 59 | Q | 71.1 | Confident | 67.7 | Low | 133 Ų | 133 | 119.9 Ų | 119.9 | 62% | 0.621 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.8 | -40.6 | 172.9 | -68.6 | -169 | 6.7 | 0 | 0 | 111.7 | L61 R62 R63 | Q59-L61 PolarHBondContact O-N 3.37Å; Q59-R62 PolarHBondContact O-N 2.95Å; Q59-R63 PolarHBondContact O-N 2.64Å |
| 60 | L | 74.3 | Confident | 70.1 | Confident | 100 Ų | 100 | 121.6 Ų | 121.6 | 52% | 0.524 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -58.1 | -44.7 | 173.3 | -91.4 | 163.8 | 0 | 0 | 0 | 111.9 | L56 S57 R62 R63 N64 | L56-L60 WeakPolarHBondContact O-CB 3.36Å; L56-L60 PolarHBondContact O-N 3Å; S57-L60 WeakPolarHBondContact O-CB 3.28Å; S57-L60 PolarHBondContact O-N 3.41Å; L60-R62 PolarHBondContact O-N 3.31Å; L60-R63 PolarHBondContact O-N 2.89Å; L60-N64 WeakPolarHBondContact O-CB 3.41Å; L60-N64 PolarHBondContact O-N 3.36Å; L60-N64 PolarHBondContact O-ND2 3.11Å |
| 61 | L | 78 | Confident | 72.2 | Confident | 134 Ų | 134 | 120.8 Ų | 120.8 | 70% | 0.702 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.1 | -42.9 | 179.2 | -157.2 | 81.5 | 0 | 0 | 0 | 111.8 | S57 S58 Q59 N64 E65 | S57-L61 PolarHBondContact O-N 3.27Å; S58-L61 PolarHBondContact O-N 3.09Å; Q59-L61 PolarHBondContact O-N 3.37Å; L61-N64 PolarHBondContact O-N 3.05Å; L61-E65 PolarHBondContact O-N 2.96Å |
| 62 | R | 77.8 | Confident | 74.5 | Confident | 202 Ų | 202 | 118.6 Ų | 118.6 | 76% | 0.762 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.4 | -38.8 | 179.5 | -135.8 | 177.2 | -165.1 | 170.9 | 4.3 | 112.3 | S58 Q59 L60 E65 Q66 | S58-R62 PolarHBondContact O-N 2.72Å; Q59-R62 PolarHBondContact O-N 2.95Å; L60-R62 PolarHBondContact O-N 3.31Å; R62-E65 PolarHBondContact O-N 3.19Å; R62-Q66 PolarHBondContact O-N 2.91Å; R62-Q66 VanDerWaalsContact O-N 3.08Å |
| 63 | R | 79.7 | Confident | 76.2 | Confident | 177 Ų | 177 | 121.8 Ų | 121.8 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.8 | -40.9 | 171.7 | -86.3 | -163.7 | 166.1 | 147.9 | -3.6 | 112.2 | Q59 L60 E65 Q66 M67 | Q59-R63 PolarHBondContact O-N 2.64Å; L60-R63 PolarHBondContact O-N 2.89Å; R63-E65 VanDerWaalsContact C-N 3.3Å; R63-E65 PolarHBondContact O-N 3.37Å; R63-Q66 PolarHBondContact O-N 3.35Å; R63-M67 WeakPolarHBondContact O-CG 3.36Å; R63-M67 PolarHBondContact O-N 3.11Å |
| 64 | N | 82.8 | Confident | 77.6 | Confident | 70 Ų | 70 | 116.7 Ų | 116.7 | 37% | 0.374 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.9 | -38.2 | 173.8 | -83.4 | -66.1 | 0 | 0 | 0 | 112.5 | L60 L61 M67 R68 | L60-N64 WeakPolarHBondContact O-CB 3.41Å; L60-N64 PolarHBondContact O-N 3.36Å; L60-N64 PolarHBondContact O-ND2 3.11Å; L61-N64 PolarHBondContact O-N 3.05Å; N64-M67 PolarHBondContact O-N 3.29Å; N64-M67 VanDerWaalsContact OD1-CE 3.24Å; N64-M67 WeakPolarHBondContact OD1-CE 3.49Å; N64-R68 PolarHBondContact O-N 3.4Å |
| 65 | E | 82.4 | Confident | 79.1 | Confident | 74 Ų | 74 | 112.3 Ų | 112.3 | 35% | 0.346 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.5 | -37.1 | 175 | -171.2 | 58.7 | -145.6 | 0 | 0 | 112.7 | L61 R62 R63 R68 K69 | L61-E65 PolarHBondContact O-N 2.96Å; R62-E65 PolarHBondContact O-N 3.19Å; R63-E65 VanDerWaalsContact C-N 3.3Å; R63-E65 PolarHBondContact O-N 3.37Å; E65-R68 IonicContact OE1-NH1 2.68Å; E65-R68 IonicContact OE2-CZ 3.79Å; E65-R68 IonicContact OE2-NH1 4Å; E65-R68 PolarHBondContact OE2-NH1 3.18Å; E65-R68 IonicContact OE2-NH2 2.94Å; E65-R68 PolarHBondContact OE2-NH2 3.48Å; E65-K69 WeakPolarHBondContact O-CG 3.36Å; E65-K69 PolarHBondContact O-N 2.91Å; E65-K69 WeakPolarHBondContact OE1-CE 3.41Å; E65-K69 IonicContact OE1-NZ 2.66Å |
| 66 | Q | 83.3 | Confident | 80.6 | Confident | 122 Ų | 122 | 111.9 Ų | 111.9 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.7 | -41.4 | 172.4 | -74.2 | 179.9 | -41.6 | 0 | 0 | 112.1 | R62 R63 K69 L70 | R62-Q66 PolarHBondContact O-N 2.91Å; R62-Q66 VanDerWaalsContact O-N 3.08Å; R63-Q66 PolarHBondContact O-N 3.35Å; Q66-K69 PolarHBondContact O-N 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.42Å; Q66-L70 PolarHBondContact O-N 3Å |
| 67 | M | 80.9 | Confident | 81.9 | Confident | 92 Ų | 92 | 113.7 Ų | 113.7 | 45% | 0.453 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.1 | -50 | 173.1 | -71.8 | -165.5 | -51.9 | 0 | 0 | 110.4 | R63 N64 K69 L70 E71 | R63-M67 WeakPolarHBondContact O-CG 3.36Å; R63-M67 PolarHBondContact O-N 3.11Å; N64-M67 PolarHBondContact O-N 3.29Å; N64-M67 VanDerWaalsContact OD1-CE 3.24Å; N64-M67 WeakPolarHBondContact OD1-CE 3.49Å; M67-K69 PolarHBondContact O-N 3.28Å; M67-K69 VanDerWaalsContact O-N 3.15Å; M67-L70 CarbonylContact O-C 3.6Å; M67-L70 WeakPolarHBondContact O-CA 3.19Å; M67-L70 PolarHBondContact O-N 3.35Å; M67-E71 WeakPolarHBondContact O-CB 3.45Å; M67-E71 VanDerWaalsContact O-CG 3.28Å; M67-E71 WeakPolarHBondContact O-CG 3.38Å; M67-E71 PolarHBondContact O-N 2.86Å |
| 68 | R | 86 | Confident | 82.9 | Confident | 131 Ų | 131 | 111.7 Ų | 111.7 | 49% | 0.494 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.3 | -33.5 | 177.6 | -113.2 | -175.4 | -63.2 | 104.6 | 8.6 | 114 | N64 E65 E71 A72 | N64-R68 PolarHBondContact O-N 3.4Å; E65-R68 IonicContact OE1-NH1 2.68Å; E65-R68 IonicContact OE2-CZ 3.79Å; E65-R68 IonicContact OE2-NH1 4Å; E65-R68 PolarHBondContact OE2-NH1 3.18Å; E65-R68 IonicContact OE2-NH2 2.94Å; E65-R68 PolarHBondContact OE2-NH2 3.48Å; R68-E71 WeakPolarHBondContact CA-OE2 3.46Å; R68-A72 WeakPolarHBondContact O-CB 3.24Å; R68-A72 PolarHBondContact O-N 2.9Å |
| 69 | K | 85.3 | Confident | 84 | Confident | 124 Ų | 124 | 112.1 Ų | 112.1 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.7 | -33.7 | 175.2 | -71.7 | 174.8 | -176.7 | 176.1 | 0 | 113 | E65 Q66 M67 R73 | E65-K69 WeakPolarHBondContact O-CG 3.36Å; E65-K69 PolarHBondContact O-N 2.91Å; E65-K69 WeakPolarHBondContact OE1-CE 3.41Å; E65-K69 IonicContact OE1-NZ 2.66Å; Q66-K69 PolarHBondContact O-N 3.24Å; M67-K69 PolarHBondContact O-N 3.28Å; M67-K69 VanDerWaalsContact O-N 3.15Å; K69-R73 WeakPolarHBondContact O-CG 3.42Å; K69-R73 PolarHBondContact O-N 3.17Å; K69-R73 VanDerWaalsContact O-N 3.15Å |
| 70 | L | 85 | Confident | 85 | Confident | 104 Ų | 104 | 111.1 Ų | 111.1 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73 | -38.6 | 173 | -69.4 | 171.7 | 0 | 0 | 0 | 111.4 | Q66 M67 R73 L74 | Q66-L70 WeakPolarHBondContact O-CG 3.42Å; Q66-L70 PolarHBondContact O-N 3Å; M67-L70 CarbonylContact O-C 3.6Å; M67-L70 WeakPolarHBondContact O-CA 3.19Å; M67-L70 PolarHBondContact O-N 3.35Å; L70-R73 PolarHBondContact O-N 3.2Å; L70-L74 VanDerWaalsContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CB 3.43Å; L70-L74 WeakPolarHBondContact O-CG 3.32Å; L70-L74 PolarHBondContact O-N 3.44Å |
| 71 | E | 85.3 | Confident | 85.8 | Confident | 111 Ų | 111 | 110.9 Ų | 110.9 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 171.9 | -72.4 | 167.2 | 173.8 | 0 | 0 | 111.5 | M67 R68 L74 S75 | M67-E71 WeakPolarHBondContact O-CB 3.45Å; M67-E71 VanDerWaalsContact O-CG 3.28Å; M67-E71 WeakPolarHBondContact O-CG 3.38Å; M67-E71 PolarHBondContact O-N 2.86Å; R68-E71 WeakPolarHBondContact CA-OE2 3.46Å; E71-L74 PolarHBondContact O-N 3.07Å; E71-S75 WeakPolarHBondContact O-CB 3.21Å; E71-S75 PolarHBondContact O-N 3.41Å |
| 72 | A | 88.1 | Confident | 86.5 | Confident | 51 Ų | 51 | 110.2 Ų | 110.2 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R68 L74 S75 D76 | R68-A72 WeakPolarHBondContact O-CB 3.24Å; R68-A72 PolarHBondContact O-N 2.9Å; A72-L74 PolarHBondContact O-N 3.29Å; A72-S75 WeakPolarHBondContact O-CA 3.38Å; A72-S75 WeakPolarHBondContact O-CB 3.29Å; A72-S75 PolarHBondContact O-N 2.84Å; A72-S75 VanDerWaalsContact O-N 3.11Å; A72-D76 VanDerWaalsContact O-CG 3.31Å; A72-D76 PolarHBondContact O-N 3.16Å |
| 73 | R | 88.3 | Confident | 87.2 | Confident | 158 Ų | 158 | 103.7 Ų | 103.7 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -39.3 | 175.8 | -74 | 177.7 | 175.7 | -169.9 | -2.2 | 112.9 | K69 L70 S75 D76 Y77 | K69-R73 WeakPolarHBondContact O-CG 3.42Å; K69-R73 PolarHBondContact O-N 3.17Å; K69-R73 VanDerWaalsContact O-N 3.15Å; L70-R73 PolarHBondContact O-N 3.2Å; R73-S75 VanDerWaalsContact C-N 3.3Å; R73-S75 PolarHBondContact O-N 2.87Å; R73-D76 PolarHBondContact O-N 3.41Å; R73-Y77 HydrophobicContact CB-CD2 4.48Å; R73-Y77 HydrophobicContact CB-CE2 4.38Å; R73-Y77 WeakPolarHBondContact O-CB 3.3Å; R73-Y77 WeakPolarHBondContact O-CD2 3.42Å; R73-Y77 PolarHBondContact O-N 3.26Å |
| 74 | L | 86.6 | Confident | 87.8 | Confident | 118 Ų | 118 | 100.2 Ų | 100.2 | 62% | 0.618 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.6 | -38.1 | 173.5 | -88.4 | 161.9 | 0 | 0 | 0 | 111.4 | L70 E71 A72 A78 | L70-L74 VanDerWaalsContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CB 3.43Å; L70-L74 WeakPolarHBondContact O-CG 3.32Å; L70-L74 PolarHBondContact O-N 3.44Å; E71-L74 PolarHBondContact O-N 3.07Å; A72-L74 PolarHBondContact O-N 3.29Å; L74-A78 WeakPolarHBondContact O-CB 3.45Å; L74-A78 PolarHBondContact O-N 3.49Å |
| 75 | S | 88.6 | Confident | 88.3 | Confident | 64 Ų | 64 | 100.8 Ų | 100.8 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 174.6 | -166.4 | 0 | 0 | 0 | 0 | 111.6 | E71 A72 R73 A78 E79 | E71-S75 WeakPolarHBondContact O-CB 3.21Å; E71-S75 PolarHBondContact O-N 3.41Å; A72-S75 WeakPolarHBondContact O-CA 3.38Å; A72-S75 WeakPolarHBondContact O-CB 3.29Å; A72-S75 PolarHBondContact O-N 2.84Å; A72-S75 VanDerWaalsContact O-N 3.11Å; R73-S75 VanDerWaalsContact C-N 3.3Å; R73-S75 PolarHBondContact O-N 2.87Å; S75-A78 PolarHBondContact O-N 3Å; S75-E79 WeakPolarHBondContact O-CB 3.4Å; S75-E79 PolarHBondContact O-N 2.7Å |
| 76 | D | 89 | Confident | 88.9 | Confident | 106 Ų | 106 | 102.6 Ų | 102.6 | 57% | 0.567 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.6 | -45.5 | 175.5 | -65.5 | -25.4 | 0 | 0 | 0 | 111.4 | A72 R73 E79 Q80 | A72-D76 VanDerWaalsContact O-CG 3.31Å; A72-D76 PolarHBondContact O-N 3.16Å; R73-D76 PolarHBondContact O-N 3.41Å; D76-E79 PolarHBondContact O-N 2.76Å; D76-Q80 WeakPolarHBondContact O-CB 3.5Å; D76-Q80 PolarHBondContact O-N 2.88Å |
| 77 | Y | 90.2 | Very high | 89.3 | Confident | 147 Ų | 147 | 101.3 Ų | 101.3 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.6 | -40.1 | 174.8 | -74.2 | -52.8 | 0 | 0 | 0 | 112.1 | R73 E79 Q80 V81 | R73-Y77 HydrophobicContact CB-CD2 4.48Å; R73-Y77 HydrophobicContact CB-CE2 4.38Å; R73-Y77 WeakPolarHBondContact O-CB 3.3Å; R73-Y77 WeakPolarHBondContact O-CD2 3.42Å; R73-Y77 PolarHBondContact O-N 3.26Å; Y77-E79 VanDerWaalsContact C-N 3.28Å; Y77-E79 PolarHBondContact O-N 3.27Å; Y77-Q80 PolarHBondContact O-N 3.03Å; Y77-V81 WeakPolarHBondContact O-CB 3.29Å; Y77-V81 VanDerWaalsContact O-CG2 3.32Å; Y77-V81 WeakPolarHBondContact O-CG2 3.44Å; Y77-V81 PolarHBondContact O-N 2.87Å |
| 78 | A | 89.7 | Confident | 89.9 | Confident | 43 Ų | 43 | 101.9 Ų | 101.9 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -31.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L74 S75 R82 | L74-A78 WeakPolarHBondContact O-CB 3.45Å; L74-A78 PolarHBondContact O-N 3.49Å; S75-A78 PolarHBondContact O-N 3Å; A78-R82 WeakPolarHBondContact O-CB 3.45Å; A78-R82 WeakPolarHBondContact O-CG 3.44Å; A78-R82 PolarHBondContact O-N 3.22Å; A78-R82 PolarHBondContact O-NE 2.92Å |
| 79 | E | 91.1 | Very high | 90.3 | Very high | 93 Ų | 93 | 99.6 Ų | 99.6 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75 | -40.5 | 172.3 | -177.7 | 151 | -166.6 | 0 | 0 | 111.9 | S75 D76 Y77 V81 R82 N83 | S75-E79 WeakPolarHBondContact O-CB 3.4Å; S75-E79 PolarHBondContact O-N 2.7Å; D76-E79 PolarHBondContact O-N 2.76Å; Y77-E79 VanDerWaalsContact C-N 3.28Å; Y77-E79 PolarHBondContact O-N 3.27Å; E79-V81 VanDerWaalsContact C-N 3.34Å; E79-V81 PolarHBondContact O-N 2.96Å; E79-R82 PolarHBondContact O-N 3.31Å; E79-N83 WeakPolarHBondContact O-CB 3.48Å; E79-N83 VanDerWaalsContact O-CG 3.29Å; E79-N83 PolarHBondContact O-N 3.49Å; E79-N83 PolarHBondContact O-ND2 2.85Å |
| 80 | Q | 92.7 | Very high | 90.8 | Very high | 112 Ų | 112 | 101.1 Ų | 101.1 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 172.6 | -168.4 | 176.7 | 37.2 | 0 | 0 | 111.2 | D76 Y77 N83 L84 | D76-Q80 WeakPolarHBondContact O-CB 3.5Å; D76-Q80 PolarHBondContact O-N 2.88Å; Y77-Q80 PolarHBondContact O-N 3.03Å; Q80-N83 PolarHBondContact O-N 3.41Å; Q80-L84 HydrophobicContact CG-CD1 4.27Å; Q80-L84 WeakPolarHBondContact O-CB 3.32Å; Q80-L84 VanDerWaalsContact O-CG 3.31Å; Q80-L84 WeakPolarHBondContact O-CG 3.4Å; Q80-L84 PolarHBondContact O-N 2.86Å |
| 81 | V | 91.3 | Very high | 91.2 | Very high | 96 Ų | 96 | 101.6 Ų | 101.6 | 58% | 0.582 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 173.5 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | Y77 E79 N83 L84 Q85 | Y77-V81 WeakPolarHBondContact O-CB 3.29Å; Y77-V81 VanDerWaalsContact O-CG2 3.32Å; Y77-V81 WeakPolarHBondContact O-CG2 3.44Å; Y77-V81 PolarHBondContact O-N 2.87Å; E79-V81 VanDerWaalsContact C-N 3.34Å; E79-V81 PolarHBondContact O-N 2.96Å; V81-N83 VanDerWaalsContact C-N 3.28Å; V81-N83 PolarHBondContact O-N 3.45Å; V81-L84 PolarHBondContact O-N 3.03Å; V81-Q85 VanDerWaalsContact O-CB 3.24Å; V81-Q85 WeakPolarHBondContact O-CB 3.39Å; V81-Q85 PolarHBondContact O-N 2.99Å |
| 82 | R | 93.1 | Very high | 91.5 | Very high | 119 Ų | 119 | 100.9 Ų | 100.9 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.5 | -37.1 | 173.9 | -82.6 | 176 | -81.5 | 135.2 | -6.5 | 112.5 | A78 E79 K86 | A78-R82 WeakPolarHBondContact O-CB 3.45Å; A78-R82 WeakPolarHBondContact O-CG 3.44Å; A78-R82 PolarHBondContact O-N 3.22Å; A78-R82 PolarHBondContact O-NE 2.92Å; E79-R82 PolarHBondContact O-N 3.31Å; R82-K86 VanDerWaalsContact O-CG 3.3Å; R82-K86 WeakPolarHBondContact O-CG 3.29Å; R82-K86 PolarHBondContact O-N 3.25Å |
| 83 | N | 92.4 | Very high | 91.8 | Very high | 66 Ų | 66 | 102.4 Ų | 102.4 | 35% | 0.353 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.8 | -41.4 | 178.5 | -72.7 | -27.1 | 0 | 0 | 0 | 112 | E79 Q80 V81 Q85 K86 I87 | E79-N83 WeakPolarHBondContact O-CB 3.48Å; E79-N83 VanDerWaalsContact O-CG 3.29Å; E79-N83 PolarHBondContact O-N 3.49Å; E79-N83 PolarHBondContact O-ND2 2.85Å; Q80-N83 PolarHBondContact O-N 3.41Å; V81-N83 VanDerWaalsContact C-N 3.28Å; V81-N83 PolarHBondContact O-N 3.45Å; N83-Q85 VanDerWaalsContact C-N 3.33Å; N83-Q85 PolarHBondContact O-N 2.87Å; N83-K86 PolarHBondContact O-N 3.09Å; N83-I87 VanDerWaalsContact O-CG1 3.27Å; N83-I87 WeakPolarHBondContact O-CG1 3.31Å; N83-I87 PolarHBondContact O-N 2.93Å |
| 84 | L | 92.6 | Very high | 92 | Very high | 104 Ų | 104 | 97.4 Ų | 97.4 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 171.7 | -73.3 | 170.9 | 0 | 0 | 0 | 111.6 | Q80 V81 I87 K88 | Q80-L84 HydrophobicContact CG-CD1 4.27Å; Q80-L84 WeakPolarHBondContact O-CB 3.32Å; Q80-L84 VanDerWaalsContact O-CG 3.31Å; Q80-L84 WeakPolarHBondContact O-CG 3.4Å; Q80-L84 PolarHBondContact O-N 2.86Å; V81-L84 PolarHBondContact O-N 3.03Å; L84-I87 PolarHBondContact O-N 3.37Å; L84-K88 WeakPolarHBondContact O-CB 3.44Å; L84-K88 PolarHBondContact O-N 2.95Å |
| 85 | Q | 92.7 | Very high | 92.3 | Very high | 81 Ų | 81 | 96.4 Ų | 96.4 | 38% | 0.379 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 175.8 | -178.8 | 58.8 | 26.4 | 0 | 0 | 111.6 | V81 N83 I87 K88 E89 | V81-Q85 VanDerWaalsContact O-CB 3.24Å; V81-Q85 WeakPolarHBondContact O-CB 3.39Å; V81-Q85 PolarHBondContact O-N 2.99Å; N83-Q85 VanDerWaalsContact C-N 3.33Å; N83-Q85 PolarHBondContact O-N 2.87Å; Q85-I87 VanDerWaalsContact C-N 3.31Å; Q85-I87 PolarHBondContact O-N 3.01Å; Q85-K88 WeakPolarHBondContact O-CB 3.33Å; Q85-K88 PolarHBondContact O-N 2.83Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.48Å; Q85-E89 PolarHBondContact NE2-OE1 3.23Å; Q85-E89 WeakPolarHBondContact O-CG 3.39Å; Q85-E89 PolarHBondContact O-N 3.42Å |
| 86 | K | 94.2 | Very high | 92.6 | Very high | 113 Ų | 113 | 99.1 Ų | 99.1 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -35 | 172.7 | -73.6 | 169.7 | -177 | 173 | 0 | 113.3 | R82 N83 K90 | R82-K86 VanDerWaalsContact O-CG 3.3Å; R82-K86 WeakPolarHBondContact O-CG 3.29Å; R82-K86 PolarHBondContact O-N 3.25Å; N83-K86 PolarHBondContact O-N 3.09Å; K86-K90 WeakPolarHBondContact O-CB 3.45Å; K86-K90 VanDerWaalsContact O-CG 3.28Å; K86-K90 WeakPolarHBondContact O-CG 3.49Å; K86-K90 PolarHBondContact O-N 2.86Å; K86-K90 VanDerWaalsContact O-N 3.13Å |
| 87 | I | 93.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 100.8 Ų | 100.8 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.7 | -45.4 | 176 | -71 | 164.3 | 0 | 0 | 0 | 109.8 | N83 L84 Q85 K90 L91 | N83-I87 VanDerWaalsContact O-CG1 3.27Å; N83-I87 WeakPolarHBondContact O-CG1 3.31Å; N83-I87 PolarHBondContact O-N 2.93Å; L84-I87 PolarHBondContact O-N 3.37Å; Q85-I87 VanDerWaalsContact C-N 3.31Å; Q85-I87 PolarHBondContact O-N 3.01Å; I87-K90 PolarHBondContact O-N 3.12Å; I87-L91 HydrophobicContact CG2-CD1 3.91Å; I87-L91 HydrophobicContact CG2-CG 4.42Å; I87-L91 WeakPolarHBondContact O-CG 3.47Å; I87-L91 PolarHBondContact O-N 3.49Å |
| 88 | K | 93.4 | Very high | 93 | Very high | 103 Ų | 103 | 100 Ų | 100 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56 | -51.9 | 174.2 | 178.2 | -173 | 163.5 | -173.4 | 0 | 111.2 | L84 Q85 K90 L91 E92 | L84-K88 WeakPolarHBondContact O-CB 3.44Å; L84-K88 PolarHBondContact O-N 2.95Å; Q85-K88 WeakPolarHBondContact O-CB 3.33Å; Q85-K88 PolarHBondContact O-N 2.83Å; K88-K90 VanDerWaalsContact C-N 3.32Å; K88-K90 PolarHBondContact O-N 3.39Å; K88-L91 CarbonylContact O-C 3.53Å; K88-L91 PolarHBondContact O-N 3.19Å; K88-E92 VanDerWaalsContact CE-CD 3.47Å; K88-E92 WeakPolarHBondContact CE-OE1 3.36Å; K88-E92 HydrophobicContact CG-CG 4.37Å; K88-E92 IonicContact NZ-OE1 3.71Å; K88-E92 WeakPolarHBondContact O-CG 3.41Å; K88-E92 PolarHBondContact O-N 2.92Å |
| 89 | E | 94.1 | Very high | 93.3 | Very high | 84 Ų | 84 | 103.3 Ų | 103.3 | 39% | 0.393 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.2 | -41.6 | 178.1 | -73.4 | 163.3 | -170.9 | 0 | 0 | 112.2 | Q85 E92 I93 | Q85-E89 WeakPolarHBondContact CG-OE1 3.48Å; Q85-E89 PolarHBondContact NE2-OE1 3.23Å; Q85-E89 WeakPolarHBondContact O-CG 3.39Å; Q85-E89 PolarHBondContact O-N 3.42Å; E89-E92 PolarHBondContact O-N 3.38Å; E89-I93 WeakPolarHBondContact O-CB 3.32Å; E89-I93 WeakPolarHBondContact O-CD1 3.29Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 3.34Å; E89-I93 PolarHBondContact O-N 3.43Å |
| 90 | K | 94.7 | Very high | 93.5 | Very high | 156 Ų | 156 | 101.9 Ų | 101.9 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.4 | -39 | 174.4 | -76.5 | 175.1 | 179.9 | -176.8 | 0 | 112.7 | K86 I87 K88 A94 | K86-K90 WeakPolarHBondContact O-CB 3.45Å; K86-K90 VanDerWaalsContact O-CG 3.28Å; K86-K90 WeakPolarHBondContact O-CG 3.49Å; K86-K90 PolarHBondContact O-N 2.86Å; K86-K90 VanDerWaalsContact O-N 3.13Å; I87-K90 PolarHBondContact O-N 3.12Å; K88-K90 VanDerWaalsContact C-N 3.32Å; K88-K90 PolarHBondContact O-N 3.39Å; K90-A94 VanDerWaalsContact O-CB 3.25Å; K90-A94 WeakPolarHBondContact O-CB 3.32Å; K90-A94 PolarHBondContact O-N 2.96Å |
| 91 | L | 93.3 | Very high | 93.5 | Very high | 113 Ų | 113 | 99 Ų | 99 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -70.5 | -38.2 | 176.7 | -70.8 | 171.8 | 0 | 0 | 0 | 111.6 | I87 K88 A94 L95 | I87-L91 HydrophobicContact CG2-CD1 3.91Å; I87-L91 HydrophobicContact CG2-CG 4.42Å; I87-L91 WeakPolarHBondContact O-CG 3.47Å; I87-L91 PolarHBondContact O-N 3.49Å; K88-L91 CarbonylContact O-C 3.53Å; K88-L91 PolarHBondContact O-N 3.19Å; L91-A94 PolarHBondContact O-N 2.69Å; L91-L95 VanDerWaalsContact O-CB 3.23Å; L91-L95 WeakPolarHBondContact O-CB 3.32Å; L91-L95 PolarHBondContact O-N 3.35Å |
| 92 | E | 92.6 | Very high | 93.5 | Very high | 96 Ų | 96 | 97.6 Ų | 97.6 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 173.6 | -74 | 172.9 | 155.8 | 0 | 0 | 110.7 | K88 E89 A94 L95 E96 | K88-E92 VanDerWaalsContact CE-CD 3.47Å; K88-E92 WeakPolarHBondContact CE-OE1 3.36Å; K88-E92 HydrophobicContact CG-CG 4.37Å; K88-E92 IonicContact NZ-OE1 3.71Å; K88-E92 WeakPolarHBondContact O-CG 3.41Å; K88-E92 PolarHBondContact O-N 2.92Å; E89-E92 PolarHBondContact O-N 3.38Å; E92-A94 VanDerWaalsContact C-N 3.32Å; E92-A94 PolarHBondContact O-N 2.94Å; E92-L95 PolarHBondContact O-N 3.07Å; E92-E96 WeakPolarHBondContact O-CB 3.25Å; E92-E96 PolarHBondContact O-N 2.85Å |
| 93 | I | 93.9 | Very high | 93.6 | Very high | 83 Ų | 83 | 96.9 Ų | 96.9 | 43% | 0.426 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 175.3 | -67.7 | 164.3 | 0 | 0 | 0 | 111.8 | E89 K97 | E89-I93 WeakPolarHBondContact O-CB 3.32Å; E89-I93 WeakPolarHBondContact O-CD1 3.29Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 3.34Å; E89-I93 PolarHBondContact O-N 3.43Å; I93-K97 HydrophobicContact CG2-CD 4.07Å; I93-K97 WeakPolarHBondContact O-CB 3.41Å; I93-K97 VanDerWaalsContact O-CG 3.24Å; I93-K97 WeakPolarHBondContact O-CG 3.39Å; I93-K97 PolarHBondContact O-N 2.84Å |
| 94 | A | 93.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 100.1 Ų | 100.1 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.6 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K90 L91 E92 H98 | K90-A94 VanDerWaalsContact O-CB 3.25Å; K90-A94 WeakPolarHBondContact O-CB 3.32Å; K90-A94 PolarHBondContact O-N 2.96Å; L91-A94 PolarHBondContact O-N 2.69Å; E92-A94 VanDerWaalsContact C-N 3.32Å; E92-A94 PolarHBondContact O-N 2.94Å; A94-H98 WeakPolarHBondContact O-CB 3.36Å; A94-H98 PolarHBondContact O-N 3.47Å |
| 95 | L | 92.9 | Very high | 93.8 | Very high | 97 Ų | 97 | 101.1 Ų | 101.1 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 176 | -178.3 | 64.3 | 0 | 0 | 0 | 111.2 | L91 E92 H98 Q99 | L91-L95 VanDerWaalsContact O-CB 3.23Å; L91-L95 WeakPolarHBondContact O-CB 3.32Å; L91-L95 PolarHBondContact O-N 3.35Å; E92-L95 PolarHBondContact O-N 3.07Å; L95-H98 PolarHBondContact O-N 2.71Å; L95-Q99 WeakPolarHBondContact O-CB 3.37Å; L95-Q99 VanDerWaalsContact O-CG 3.31Å; L95-Q99 WeakPolarHBondContact O-CG 3.31Å; L95-Q99 PolarHBondContact O-N 3.26Å |
| 96 | E | 93.7 | Very high | 93.9 | Very high | 120 Ų | 120 | 104.1 Ų | 104.1 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.6 | -50.8 | 175.2 | -175 | 176.6 | -144 | 0 | 0 | 110.5 | E92 H98 Q99 D100 | E92-E96 WeakPolarHBondContact O-CB 3.25Å; E92-E96 PolarHBondContact O-N 2.85Å; E96-H98 VanDerWaalsContact C-N 3.28Å; E96-H98 PolarHBondContact O-N 3.38Å; E96-Q99 PolarHBondContact O-N 3.18Å; E96-Q99 VanDerWaalsContact O-N 3.13Å; E96-D100 WeakPolarHBondContact O-CB 3.42Å; E96-D100 PolarHBondContact O-N 3.47Å |
| 97 | K | 95.2 | Very high | 93.9 | Very high | 142 Ų | 142 | 103 Ų | 103 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.9 | -36.5 | 174.9 | -75.9 | 174.2 | -179.4 | 177.8 | 0 | 113.4 | I93 S101 | I93-K97 HydrophobicContact CG2-CD 4.07Å; I93-K97 WeakPolarHBondContact O-CB 3.41Å; I93-K97 VanDerWaalsContact O-CG 3.24Å; I93-K97 WeakPolarHBondContact O-CG 3.39Å; I93-K97 PolarHBondContact O-N 2.84Å; K97-S101 VanDerWaalsContact O-CB 3.27Å; K97-S101 WeakPolarHBondContact O-CB 3.35Å; K97-S101 PolarHBondContact O-N 3.09Å |
| 98 | H | 94.3 | Very high | 93.9 | Very high | 131 Ų | 131 | 103.8 Ų | 103.8 | 61% | 0.606 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.7 | -42.5 | 175.6 | -179 | -91.6 | 0 | 0 | 0 | 111.6 | A94 L95 E96 S101 S102 | A94-H98 WeakPolarHBondContact O-CB 3.36Å; A94-H98 PolarHBondContact O-N 3.47Å; L95-H98 PolarHBondContact O-N 2.71Å; E96-H98 VanDerWaalsContact C-N 3.28Å; E96-H98 PolarHBondContact O-N 3.38Å; H98-S101 PolarHBondContact O-N 2.81Å; H98-S102 VanDerWaalsContact O-CB 3.28Å; H98-S102 WeakPolarHBondContact O-CB 3.42Å; H98-S102 PolarHBondContact O-N 3.01Å |
| 99 | Q | 94.6 | Very high | 94 | Very high | 111 Ų | 111 | 104.2 Ų | 104.2 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 174.7 | -73.5 | 176.3 | 3.9 | 0 | 0 | 111.4 | L95 E96 S102 M103 | L95-Q99 WeakPolarHBondContact O-CB 3.37Å; L95-Q99 VanDerWaalsContact O-CG 3.31Å; L95-Q99 WeakPolarHBondContact O-CG 3.31Å; L95-Q99 PolarHBondContact O-N 3.26Å; E96-Q99 PolarHBondContact O-N 3.18Å; E96-Q99 VanDerWaalsContact O-N 3.13Å; Q99-S102 PolarHBondContact O-N 3.05Å; Q99-M103 WeakPolarHBondContact O-CB 3.49Å; Q99-M103 PolarHBondContact O-N 2.81Å |
| 100 | D | 94.8 | Very high | 94 | Very high | 63 Ų | 63 | 103.5 Ų | 103.5 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 173.6 | -106.1 | 28.5 | 0 | 0 | 0 | 112.4 | E96 S102 M103 R104 | E96-D100 WeakPolarHBondContact O-CB 3.42Å; E96-D100 PolarHBondContact O-N 3.47Å; D100-S102 VanDerWaalsContact C-N 3.33Å; D100-S102 PolarHBondContact O-N 3.34Å; D100-M103 PolarHBondContact O-N 3.01Å; D100-R104 WeakPolarHBondContact O-CB 3.36Å; D100-R104 WeakPolarHBondContact O-CG 3.35Å; D100-R104 PolarHBondContact O-N 2.89Å; D100-R104 IonicContact OD2-CZ 2.75Å; D100-R104 IonicContact OD2-NH2 3.53Å; D100-R104 PolarHBondContact OD2-NH2 3.31Å |
| 101 | S | 93.4 | Very high | 94 | Very high | 51 Ų | 51 | 102 Ų | 102 | 36% | 0.357 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | K97 H98 K105 | K97-S101 VanDerWaalsContact O-CB 3.27Å; K97-S101 WeakPolarHBondContact O-CB 3.35Å; K97-S101 PolarHBondContact O-N 3.09Å; H98-S101 PolarHBondContact O-N 2.81Å; S101-K105 WeakPolarHBondContact O-CB 3.48Å; S101-K105 VanDerWaalsContact O-CG 3.27Å; S101-K105 WeakPolarHBondContact O-CG 3.42Å; S101-K105 PolarHBondContact O-N 3.45Å |
| 102 | S | 92.2 | Very high | 94 | Very high | 67 Ų | 67 | 100.3 Ų | 100.3 | 47% | 0.469 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 174.9 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | H98 Q99 D100 K105 F106 | H98-S102 VanDerWaalsContact O-CB 3.28Å; H98-S102 WeakPolarHBondContact O-CB 3.42Å; H98-S102 PolarHBondContact O-N 3.01Å; Q99-S102 PolarHBondContact O-N 3.05Å; D100-S102 VanDerWaalsContact C-N 3.33Å; D100-S102 PolarHBondContact O-N 3.34Å; S102-K105 PolarHBondContact O-N 3.28Å; S102-F106 WeakPolarHBondContact O-CB 3.4Å; S102-F106 PolarHBondContact O-N 3.1Å |
| 103 | M | 93.8 | Very high | 94.1 | Very high | 104 Ų | 104 | 102.8 Ų | 102.8 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 177.6 | -164.9 | -167.8 | -50.8 | 0 | 0 | 111.4 | Q99 D100 F106 Q107 | Q99-M103 WeakPolarHBondContact O-CB 3.49Å; Q99-M103 PolarHBondContact O-N 2.81Å; D100-M103 PolarHBondContact O-N 3.01Å; M103-F106 PolarHBondContact O-N 2.89Å; M103-Q107 WeakPolarHBondContact O-CB 3.34Å; M103-Q107 VanDerWaalsContact O-CG 3.29Å; M103-Q107 WeakPolarHBondContact O-CG 3.41Å; M103-Q107 PolarHBondContact O-N 2.86Å |
| 104 | R | 94.9 | Very high | 94.2 | Very high | 135 Ų | 135 | 104.4 Ų | 104.4 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 175.3 | -72 | 179.7 | -138 | 163.9 | 5.4 | 111.9 | D100 F106 Q107 E108 | D100-R104 WeakPolarHBondContact O-CB 3.36Å; D100-R104 WeakPolarHBondContact O-CG 3.35Å; D100-R104 PolarHBondContact O-N 2.89Å; D100-R104 IonicContact OD2-CZ 2.75Å; D100-R104 IonicContact OD2-NH2 3.53Å; D100-R104 PolarHBondContact OD2-NH2 3.31Å; R104-F106 VanDerWaalsContact C-N 3.28Å; R104-F106 PolarHBondContact O-N 3.42Å; R104-Q107 CarbonylContact O-C 3.54Å; R104-Q107 WeakPolarHBondContact O-CB 3.5Å; R104-Q107 PolarHBondContact O-N 3.45Å; R104-Q107 VanDerWaalsContact O-N 3.1Å; R104-E108 WeakPolarHBondContact O-CB 3.33Å; R104-E108 VanDerWaalsContact O-CG 3.3Å; R104-E108 WeakPolarHBondContact O-CG 3.29Å; R104-E108 PolarHBondContact O-N 3.21Å |
| 105 | K | 95.1 | Very high | 94.3 | Very high | 125 Ų | 125 | 104 Ų | 104 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58 | -39.9 | 174.5 | -76.1 | 172.7 | -179.4 | 177.6 | 0 | 112.3 | S101 S102 Q109 | S101-K105 WeakPolarHBondContact O-CB 3.48Å; S101-K105 VanDerWaalsContact O-CG 3.27Å; S101-K105 WeakPolarHBondContact O-CG 3.42Å; S101-K105 PolarHBondContact O-N 3.45Å; S102-K105 PolarHBondContact O-N 3.28Å; K105-Q109 WeakPolarHBondContact O-CB 3.49Å; K105-Q109 VanDerWaalsContact O-CG 3.27Å; K105-Q109 WeakPolarHBondContact O-CG 3.34Å; K105-Q109 PolarHBondContact O-N 3.18Å |
| 106 | F | 93.9 | Very high | 94.3 | Very high | 144 Ų | 144 | 103.7 Ų | 103.7 | 63% | 0.632 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.5 | -38.7 | 175.5 | -175.4 | -95.4 | 0 | 0 | 0 | 112.3 | S102 M103 R104 N110 | S102-F106 WeakPolarHBondContact O-CB 3.4Å; S102-F106 PolarHBondContact O-N 3.1Å; M103-F106 PolarHBondContact O-N 2.89Å; R104-F106 VanDerWaalsContact C-N 3.28Å; R104-F106 PolarHBondContact O-N 3.42Å; F106-N110 WeakPolarHBondContact O-CB 3.46Å; F106-N110 PolarHBondContact O-N 2.94Å |
| 107 | Q | 94.8 | Very high | 94.4 | Very high | 88 Ų | 88 | 105.9 Ų | 105.9 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -50.7 | 173.7 | -73.6 | 165.2 | -10 | 0 | 0 | 111.2 | M103 R104 Q109 N110 E111 | M103-Q107 WeakPolarHBondContact O-CB 3.34Å; M103-Q107 VanDerWaalsContact O-CG 3.29Å; M103-Q107 WeakPolarHBondContact O-CG 3.41Å; M103-Q107 PolarHBondContact O-N 2.86Å; R104-Q107 CarbonylContact O-C 3.54Å; R104-Q107 WeakPolarHBondContact O-CB 3.5Å; R104-Q107 PolarHBondContact O-N 3.45Å; R104-Q107 VanDerWaalsContact O-N 3.1Å; Q107-Q109 VanDerWaalsContact C-N 3.34Å; Q107-Q109 PolarHBondContact O-N 2.93Å; Q107-N110 CarbonylContact O-C 3.59Å; Q107-N110 PolarHBondContact O-N 2.85Å; Q107-N110 VanDerWaalsContact O-N 3.12Å; Q107-E111 WeakPolarHBondContact O-CB 3.38Å; Q107-E111 WeakPolarHBondContact O-CG 3.45Å; Q107-E111 PolarHBondContact O-N 2.82Å |
| 108 | E | 94.4 | Very high | 94.3 | Very high | 113 Ų | 113 | 101.8 Ų | 101.8 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 175.4 | -71.2 | 164.9 | -165.1 | 0 | 0 | 112 | R104 T112 | R104-E108 WeakPolarHBondContact O-CB 3.33Å; R104-E108 VanDerWaalsContact O-CG 3.3Å; R104-E108 WeakPolarHBondContact O-CG 3.29Å; R104-E108 PolarHBondContact O-N 3.21Å; E108-T112 WeakPolarHBondContact O-CB 3.4Å; E108-T112 WeakPolarHBondContact O-CG2 3.42Å; E108-T112 PolarHBondContact O-N 2.83Å; E108-T112 PolarHBondContact O-OG1 2.92Å |
| 109 | Q | 94.8 | Very high | 94.4 | Very high | 111 Ų | 111 | 102.2 Ų | 102.2 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 173.2 | -78.1 | 179.6 | -4.7 | 0 | 0 | 111.5 | K105 Q107 E111 T112 F113 | K105-Q109 WeakPolarHBondContact O-CB 3.49Å; K105-Q109 VanDerWaalsContact O-CG 3.27Å; K105-Q109 WeakPolarHBondContact O-CG 3.34Å; K105-Q109 PolarHBondContact O-N 3.18Å; Q107-Q109 VanDerWaalsContact C-N 3.34Å; Q107-Q109 PolarHBondContact O-N 2.93Å; Q109-E111 PolarHBondContact O-N 3.25Å; Q109-T112 WeakPolarHBondContact CA-OG1 3.39Å; Q109-T112 PolarHBondContact O-N 3.13Å; Q109-T112 PolarHBondContact O-OG1 3.4Å; Q109-F113 HydrophobicContact CB-CE2 4.47Å; Q109-F113 WeakPolarHBondContact O-CB 3.42Å; Q109-F113 WeakPolarHBondContact O-CD2 3.31Å; Q109-F113 PolarHBondContact O-N 2.96Å |
| 110 | N | 93.6 | Very high | 94.3 | Very high | 69 Ų | 69 | 103.3 Ų | 103.3 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.6 | 168.2 | 75.1 | 0 | 0 | 0 | 112.5 | F106 Q107 F113 Q114 | F106-N110 WeakPolarHBondContact O-CB 3.46Å; F106-N110 PolarHBondContact O-N 2.94Å; Q107-N110 CarbonylContact O-C 3.59Å; Q107-N110 PolarHBondContact O-N 2.85Å; Q107-N110 VanDerWaalsContact O-N 3.12Å; N110-F113 PolarHBondContact O-N 2.85Å; N110-Q114 PolarHBondContact ND2-NE2 3.28Å; N110-Q114 WeakPolarHBondContact O-CB 3.41Å; N110-Q114 VanDerWaalsContact O-CG 3.28Å; N110-Q114 WeakPolarHBondContact O-CG 3.28Å; N110-Q114 PolarHBondContact O-N 2.96Å; N110-Q114 PolarHBondContact OD1-NE2 3.13Å |
| 111 | E | 95.1 | Very high | 94.3 | Very high | 124 Ų | 124 | 103 Ų | 103 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 175.5 | -75.5 | 176.2 | -171.5 | 0 | 0 | 111.6 | Q107 Q109 Q114 A115 | Q107-E111 WeakPolarHBondContact O-CB 3.38Å; Q107-E111 WeakPolarHBondContact O-CG 3.45Å; Q107-E111 PolarHBondContact O-N 2.82Å; Q109-E111 PolarHBondContact O-N 3.25Å; E111-Q114 PolarHBondContact O-N 3.49Å; E111-A115 VanDerWaalsContact O-CB 3.28Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 3.27Å |
| 112 | T | 94.3 | Very high | 94.3 | Very high | 78 Ų | 78 | 106.5 Ų | 106.5 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 175.5 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | E108 Q109 N116 | E108-T112 WeakPolarHBondContact O-CB 3.4Å; E108-T112 WeakPolarHBondContact O-CG2 3.42Å; E108-T112 PolarHBondContact O-N 2.83Å; E108-T112 PolarHBondContact O-OG1 2.92Å; Q109-T112 WeakPolarHBondContact CA-OG1 3.39Å; Q109-T112 PolarHBondContact O-N 3.13Å; Q109-T112 PolarHBondContact O-OG1 3.4Å; T112-N116 VanDerWaalsContact O-CB 3.27Å; T112-N116 WeakPolarHBondContact O-CB 3.31Å; T112-N116 PolarHBondContact O-N 3.38Å; T112-N116 PolarHBondContact O-ND2 3Å |
| 113 | F | 94.4 | Very high | 94.4 | Very high | 148 Ų | 148 | 105.1 Ų | 105.1 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -43.7 | 171 | -79.7 | -60.9 | 0 | 0 | 0 | 112.4 | Q109 N110 N116 R117 | Q109-F113 HydrophobicContact CB-CE2 4.47Å; Q109-F113 WeakPolarHBondContact O-CB 3.42Å; Q109-F113 WeakPolarHBondContact O-CD2 3.31Å; Q109-F113 PolarHBondContact O-N 2.96Å; N110-F113 PolarHBondContact O-N 2.85Å; F113-N116 PolarHBondContact O-N 2.87Å; F113-R117 WeakPolarHBondContact O-CB 3.42Å; F113-R117 PolarHBondContact O-N 3.47Å |
| 114 | Q | 95.2 | Very high | 94.5 | Very high | 118 Ų | 118 | 105.7 Ų | 105.7 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.2 | -42.7 | 177.2 | -72.4 | -176 | 30.7 | 0 | 0 | 111.8 | N110 E111 R117 A118 | N110-Q114 PolarHBondContact ND2-NE2 3.28Å; N110-Q114 WeakPolarHBondContact O-CB 3.41Å; N110-Q114 VanDerWaalsContact O-CG 3.28Å; N110-Q114 WeakPolarHBondContact O-CG 3.28Å; N110-Q114 PolarHBondContact O-N 2.96Å; N110-Q114 PolarHBondContact OD1-NE2 3.13Å; E111-Q114 PolarHBondContact O-N 3.49Å; Q114-R117 PolarHBondContact O-N 3.2Å; Q114-A118 WeakPolarHBondContact O-CB 3.4Å; Q114-A118 PolarHBondContact O-N 2.88Å |
| 115 | A | 94.3 | Very high | 94.5 | Very high | 45 Ų | 45 | 102 Ų | 102 | 37% | 0.372 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E111 A118 K119 | E111-A115 VanDerWaalsContact O-CB 3.28Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 3.27Å; A115-A118 PolarHBondContact O-N 3.43Å; A115-K119 WeakPolarHBondContact O-CB 3.28Å; A115-K119 WeakPolarHBondContact O-CG 3.44Å; A115-K119 PolarHBondContact O-N 2.85Å |
| 116 | N | 94.2 | Very high | 94.5 | Very high | 91 Ų | 91 | 100.5 Ų | 100.5 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 175.6 | -73.8 | -21.9 | 0 | 0 | 0 | 111.8 | T112 F113 M120 | T112-N116 VanDerWaalsContact O-CB 3.27Å; T112-N116 WeakPolarHBondContact O-CB 3.31Å; T112-N116 PolarHBondContact O-N 3.38Å; T112-N116 PolarHBondContact O-ND2 3Å; F113-N116 PolarHBondContact O-N 2.87Å; N116-M120 WeakPolarHBondContact O-CB 3.28Å; N116-M120 PolarHBondContact O-N 3.45Å |
| 117 | R | 94.4 | Very high | 94.6 | Very high | 166 Ų | 166 | 96 Ų | 96 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 172.9 | 176.7 | 176.3 | 164.6 | 168.3 | -5.3 | 111.8 | F113 Q114 M120 A121 | F113-R117 WeakPolarHBondContact O-CB 3.42Å; F113-R117 PolarHBondContact O-N 3.47Å; Q114-R117 PolarHBondContact O-N 3.2Å; R117-M120 PolarHBondContact O-N 2.85Å; R117-A121 PolarHBondContact O-N 2.93Å |
| 118 | A | 94.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 97.3 Ų | 97.3 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q114 A115 M120 A121 E122 | Q114-A118 WeakPolarHBondContact O-CB 3.4Å; Q114-A118 PolarHBondContact O-N 2.88Å; A115-A118 PolarHBondContact O-N 3.43Å; A118-M120 VanDerWaalsContact C-N 3.27Å; A118-M120 PolarHBondContact O-N 3.27Å; A118-A121 PolarHBondContact O-N 3.31Å; A118-A121 VanDerWaalsContact O-N 3.14Å; A118-E122 WeakPolarHBondContact O-CB 3.46Å; A118-E122 PolarHBondContact O-N 3.43Å |
| 119 | K | 95.6 | Very high | 94.7 | Very high | 140 Ų | 140 | 94.6 Ų | 94.6 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.2 | -38.6 | 174.4 | -74.5 | 174.5 | 179.6 | 179.1 | 0 | 112.8 | A115 G123 | A115-K119 WeakPolarHBondContact O-CB 3.28Å; A115-K119 WeakPolarHBondContact O-CG 3.44Å; A115-K119 PolarHBondContact O-N 2.85Å; K119-G123 PolarHBondContact O-N 2.91Å |
| 120 | M | 93.3 | Very high | 94.7 | Very high | 134 Ų | 134 | 97.5 Ų | 97.5 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.9 | -40.7 | 177.5 | -161.3 | -175 | -60.4 | 0 | 0 | 111.7 | N116 R117 A118 G123 L124 | N116-M120 WeakPolarHBondContact O-CB 3.28Å; N116-M120 PolarHBondContact O-N 3.45Å; R117-M120 PolarHBondContact O-N 2.85Å; A118-M120 VanDerWaalsContact C-N 3.27Å; A118-M120 PolarHBondContact O-N 3.27Å; M120-G123 PolarHBondContact O-N 3.25Å; M120-L124 WeakPolarHBondContact O-CG 3.35Å; M120-L124 PolarHBondContact O-N 3.15Å |
| 121 | A | 94.4 | Very high | 94.9 | Very high | 57 Ų | 57 | 98.9 Ų | 98.9 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R117 A118 L124 A125 | R117-A121 PolarHBondContact O-N 2.93Å; A118-A121 PolarHBondContact O-N 3.31Å; A118-A121 VanDerWaalsContact O-N 3.14Å; A121-L124 PolarHBondContact O-N 3.19Å; A121-A125 WeakPolarHBondContact O-CB 3.35Å; A121-A125 PolarHBondContact O-N 2.86Å |
| 122 | E | 93.9 | Very high | 94.9 | Very high | 124 Ų | 124 | 98 Ų | 98 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -43.7 | 174.2 | -174.3 | 179.5 | -170.8 | 0 | 0 | 111.5 | A118 L124 A125 L126 | A118-E122 WeakPolarHBondContact O-CB 3.46Å; A118-E122 PolarHBondContact O-N 3.43Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 3.39Å; E122-A125 PolarHBondContact O-N 2.74Å; E122-L126 HydrophobicContact CG-CD1 4.19Å; E122-L126 WeakPolarHBondContact O-CB 3.28Å; E122-L126 WeakPolarHBondContact O-CG 3.48Å; E122-L126 PolarHBondContact O-N 2.7Å |
| 123 | G | 95.1 | Very high | 95 | Very high | 38 Ų | 38 | 99.7 Ų | 99.7 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K119 M120 A127 | K119-G123 PolarHBondContact O-N 2.91Å; M120-G123 PolarHBondContact O-N 3.25Å; G123-A127 WeakPolarHBondContact O-CB 3.33Å; G123-A127 PolarHBondContact O-N 3.32Å |
| 124 | L | 94.6 | Very high | 95.1 | Very high | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.2 | -42.4 | 173.3 | -71.5 | 171.4 | 0 | 0 | 0 | 112.1 | M120 A121 E122 A127 L128 | M120-L124 WeakPolarHBondContact O-CG 3.35Å; M120-L124 PolarHBondContact O-N 3.15Å; A121-L124 PolarHBondContact O-N 3.19Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 3.39Å; L124-A127 PolarHBondContact O-N 3.01Å; L124-L128 WeakPolarHBondContact O-CG 3.27Å; L124-L128 PolarHBondContact O-N 2.97Å |
| 125 | A | 95.5 | Very high | 95.2 | Very high | 57 Ų | 57 | 97.9 Ų | 97.9 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A121 E122 L128 A129 | A121-A125 WeakPolarHBondContact O-CB 3.35Å; A121-A125 PolarHBondContact O-N 2.86Å; E122-A125 PolarHBondContact O-N 2.74Å; A125-L128 PolarHBondContact O-N 3.4Å; A125-A129 WeakPolarHBondContact O-CB 3.48Å; A125-A129 PolarHBondContact O-N 3.33Å |
| 126 | L | 95.6 | Very high | 95.3 | Very high | 95 Ų | 95 | 98.9 Ų | 98.9 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 174.2 | -72.2 | 170.8 | 0 | 0 | 0 | 112.4 | E122 R130 | E122-L126 HydrophobicContact CG-CD1 4.19Å; E122-L126 WeakPolarHBondContact O-CB 3.28Å; E122-L126 WeakPolarHBondContact O-CG 3.48Å; E122-L126 PolarHBondContact O-N 2.7Å; L126-R130 WeakPolarHBondContact O-CB 3.33Å; L126-R130 VanDerWaalsContact O-CG 3.3Å; L126-R130 WeakPolarHBondContact O-CG 3.42Å; L126-R130 PolarHBondContact O-N 2.93Å |
| 127 | A | 95.4 | Very high | 95.4 | Very high | 50 Ų | 50 | 99.6 Ų | 99.6 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G123 L124 K131 | G123-A127 WeakPolarHBondContact O-CB 3.33Å; G123-A127 PolarHBondContact O-N 3.32Å; L124-A127 PolarHBondContact O-N 3.01Å; A127-K131 WeakPolarHBondContact O-CG 3.31Å; A127-K131 PolarHBondContact O-N 2.99Å; A127-K131 VanDerWaalsContact O-N 3.12Å |
| 128 | L | 95.4 | Very high | 95.5 | Very high | 114 Ų | 114 | 96.2 Ų | 96.2 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -49.8 | 173.3 | -71.1 | 171.9 | 0 | 0 | 0 | 111.3 | L124 A125 R130 K131 D132 | L124-L128 WeakPolarHBondContact O-CG 3.27Å; L124-L128 PolarHBondContact O-N 2.97Å; A125-L128 PolarHBondContact O-N 3.4Å; L128-R130 VanDerWaalsContact C-N 3.29Å; L128-R130 PolarHBondContact O-N 3.27Å; L128-K131 CarbonylContact O-C 3.57Å; L128-K131 WeakPolarHBondContact O-CA 3.48Å; L128-K131 WeakPolarHBondContact O-CB 3.26Å; L128-K131 PolarHBondContact O-N 2.87Å; L128-D132 PolarHBondContact O-N 3.43Å |
| 129 | A | 95.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 99.2 Ų | 99.2 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.2 | -39.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A125 D132 Q133 | A125-A129 WeakPolarHBondContact O-CB 3.48Å; A125-A129 PolarHBondContact O-N 3.33Å; A129-D132 PolarHBondContact O-N 2.92Å; A129-Q133 WeakPolarHBondContact O-CB 3.46Å; A129-Q133 PolarHBondContact O-N 3.43Å |
| 130 | R | 95.8 | Very high | 95.7 | Very high | 172 Ų | 172 | 96.3 Ų | 96.3 | 65% | 0.649 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -39.2 | 172.1 | -76.2 | 175.7 | -178.9 | 179 | 1.6 | 112.4 | L126 L128 Q133 E134 | L126-R130 WeakPolarHBondContact O-CB 3.33Å; L126-R130 VanDerWaalsContact O-CG 3.3Å; L126-R130 WeakPolarHBondContact O-CG 3.42Å; L126-R130 PolarHBondContact O-N 2.93Å; L128-R130 VanDerWaalsContact C-N 3.29Å; L128-R130 PolarHBondContact O-N 3.27Å; R130-Q133 PolarHBondContact O-N 2.86Å; R130-E134 WeakPolarHBondContact O-CG 3.47Å; R130-E134 PolarHBondContact O-N 2.94Å |
| 131 | K | 96.3 | Very high | 95.8 | Very high | 98 Ų | 98 | 94.3 Ų | 94.3 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 176.5 | -76.4 | -71.9 | 170.1 | -129.9 | 0 | 112 | A127 L128 Q133 E134 W135 | A127-K131 WeakPolarHBondContact O-CG 3.31Å; A127-K131 PolarHBondContact O-N 2.99Å; A127-K131 VanDerWaalsContact O-N 3.12Å; L128-K131 CarbonylContact O-C 3.57Å; L128-K131 WeakPolarHBondContact O-CA 3.48Å; L128-K131 WeakPolarHBondContact O-CB 3.26Å; L128-K131 PolarHBondContact O-N 2.87Å; K131-Q133 VanDerWaalsContact C-N 3.32Å; K131-Q133 PolarHBondContact O-N 3.32Å; K131-E134 IonicContact NZ-OE1 2.69Å; K131-E134 PolarHBondContact NZ-OE1 3.23Å; K131-E134 IonicContact NZ-OE2 3.2Å; K131-E134 PolarHBondContact NZ-OE2 2.92Å; K131-E134 PolarHBondContact O-N 3.37Å; K131-W135 PolarHBondContact O-N 3.24Å |
| 132 | D | 95.8 | Very high | 95.9 | Very high | 107 Ų | 107 | 96.5 Ų | 96.5 | 57% | 0.572 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | 175.1 | -65.5 | -26 | 0 | 0 | 0 | 110.9 | L128 A129 W135 S136 | L128-D132 PolarHBondContact O-N 3.43Å; A129-D132 PolarHBondContact O-N 2.92Å; D132-W135 PolarHBondContact O-N 2.87Å; D132-S136 WeakPolarHBondContact O-CB 3.28Å; D132-S136 PolarHBondContact O-N 3.02Å |
| 133 | Q | 96.6 | Very high | 96 | Very high | 112 Ų | 112 | 95.1 Ų | 95.1 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -50.5 | 171.4 | -177 | 179.9 | -10 | 0 | 0 | 112.2 | A129 R130 K131 W135 S136 E137 | A129-Q133 WeakPolarHBondContact O-CB 3.46Å; A129-Q133 PolarHBondContact O-N 3.43Å; R130-Q133 PolarHBondContact O-N 2.86Å; K131-Q133 VanDerWaalsContact C-N 3.32Å; K131-Q133 PolarHBondContact O-N 3.32Å; Q133-W135 PolarHBondContact O-N 2.86Å; Q133-S136 WeakPolarHBondContact O-CB 3.35Å; Q133-S136 PolarHBondContact O-N 2.89Å; Q133-S136 VanDerWaalsContact O-N 3.09Å; Q133-E137 HydrophobicContact CG-CG 4.42Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.37Å; Q133-E137 PolarHBondContact NE2-OE1 2.62Å; Q133-E137 WeakPolarHBondContact O-CG 3.41Å; Q133-E137 PolarHBondContact O-N 2.87Å |
| 134 | E | 96.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 98.8 Ų | 98.8 | 33% | 0.327 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.1 | -35.3 | 176.4 | -77.7 | 176.2 | -143.2 | 0 | 0 | 112.6 | R130 K131 K138 | R130-E134 WeakPolarHBondContact O-CG 3.47Å; R130-E134 PolarHBondContact O-N 2.94Å; K131-E134 IonicContact NZ-OE1 2.69Å; K131-E134 PolarHBondContact NZ-OE1 3.23Å; K131-E134 IonicContact NZ-OE2 3.2Å; K131-E134 PolarHBondContact NZ-OE2 2.92Å; K131-E134 PolarHBondContact O-N 3.37Å; E134-K138 WeakPolarHBondContact O-CD 3.39Å; E134-K138 VanDerWaalsContact O-CG 3.24Å; E134-K138 WeakPolarHBondContact O-CG 3.37Å; E134-K138 PolarHBondContact O-N 2.87Å; E134-K138 IonicContact OE2-NZ 2.87Å |
| 135 | W | 96.9 | Very high | 96.2 | Very high | 159 Ų | 159 | 97.3 Ų | 97.3 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -75.7 | -37.6 | 176.3 | -75 | 121.8 | 0 | 0 | 0 | 112.5 | K131 D132 Q133 K138 M139 | K131-W135 PolarHBondContact O-N 3.24Å; D132-W135 PolarHBondContact O-N 2.87Å; Q133-W135 PolarHBondContact O-N 2.86Å; W135-K138 HydrophobicContact CE3-CD 3.96Å; W135-K138 HydrophobicContact CZ3-CD 4.14Å; W135-K138 PolarHBondContact O-N 2.73Å; W135-M139 WeakPolarHBondContact O-CG 3.43Å; W135-M139 PolarHBondContact O-N 3.42Å |
| 136 | S | 96.2 | Very high | 96.3 | Very high | 65 Ų | 65 | 100.4 Ų | 100.4 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 173.1 | -163.7 | 0 | 0 | 0 | 0 | 111.2 | D132 Q133 K138 M139 D140 | D132-S136 WeakPolarHBondContact O-CB 3.28Å; D132-S136 PolarHBondContact O-N 3.02Å; Q133-S136 WeakPolarHBondContact O-CB 3.35Å; Q133-S136 PolarHBondContact O-N 2.89Å; Q133-S136 VanDerWaalsContact O-N 3.09Å; S136-K138 VanDerWaalsContact C-N 3.3Å; S136-K138 PolarHBondContact O-N 3.49Å; S136-M139 WeakPolarHBondContact O-CB 3.44Å; S136-M139 PolarHBondContact O-N 2.82Å; S136-M139 VanDerWaalsContact O-N 3.08Å; S136-D140 PolarHBondContact O-N 2.9Å |
| 137 | E | 97 | Very high | 96.4 | Very high | 107 Ų | 107 | 100.7 Ų | 100.7 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 179.2 | -70.6 | 172.5 | -173.6 | 0 | 0 | 112.1 | Q133 Q141 | Q133-E137 HydrophobicContact CG-CG 4.42Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.37Å; Q133-E137 PolarHBondContact NE2-OE1 2.62Å; Q133-E137 WeakPolarHBondContact O-CG 3.41Å; Q133-E137 PolarHBondContact O-N 2.87Å; E137-Q141 WeakPolarHBondContact O-CB 3.36Å; E137-Q141 PolarHBondContact O-N 2.82Å |
| 138 | K | 97 | Very high | 96.5 | Very high | 95 Ų | 95 | 103 Ų | 103 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 172.6 | -74.2 | 166.7 | -170.8 | 159.6 | 0 | 112.7 | E134 W135 S136 Q141 L142 | E134-K138 WeakPolarHBondContact O-CD 3.39Å; E134-K138 VanDerWaalsContact O-CG 3.24Å; E134-K138 WeakPolarHBondContact O-CG 3.37Å; E134-K138 PolarHBondContact O-N 2.87Å; E134-K138 IonicContact OE2-NZ 2.87Å; W135-K138 HydrophobicContact CE3-CD 3.96Å; W135-K138 HydrophobicContact CZ3-CD 4.14Å; W135-K138 PolarHBondContact O-N 2.73Å; S136-K138 VanDerWaalsContact C-N 3.3Å; S136-K138 PolarHBondContact O-N 3.49Å; K138-Q141 PolarHBondContact O-N 3Å; K138-L142 WeakPolarHBondContact O-CB 3.44Å; K138-L142 VanDerWaalsContact O-CG 3.31Å; K138-L142 WeakPolarHBondContact O-CG 3.38Å; K138-L142 PolarHBondContact O-N 3.47Å |
| 139 | M | 95.6 | Very high | 96.6 | Very high | 118 Ų | 118 | 102.7 Ų | 102.7 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.4 | -44.6 | 175.5 | -78.2 | -65.6 | -61.3 | 0 | 0 | 111.2 | W135 S136 Q141 L142 E143 | W135-M139 WeakPolarHBondContact O-CG 3.43Å; W135-M139 PolarHBondContact O-N 3.42Å; S136-M139 WeakPolarHBondContact O-CB 3.44Å; S136-M139 PolarHBondContact O-N 2.82Å; S136-M139 VanDerWaalsContact O-N 3.08Å; M139-Q141 VanDerWaalsContact C-N 3.29Å; M139-Q141 PolarHBondContact O-N 3.29Å; M139-L142 PolarHBondContact O-N 2.8Å; M139-E143 WeakPolarHBondContact O-CB 3.31Å; M139-E143 PolarHBondContact O-N 3.25Å |
| 140 | D | 96.5 | Very high | 96.6 | Very high | 80 Ų | 80 | 104.1 Ų | 104.1 | 43% | 0.428 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 176 | -67.9 | -22.7 | 0 | 0 | 0 | 111.8 | S136 K144 | S136-D140 PolarHBondContact O-N 2.9Å; D140-K144 WeakPolarHBondContact O-CD 3.47Å; D140-K144 VanDerWaalsContact O-CG 3.23Å; D140-K144 WeakPolarHBondContact O-CG 3.46Å; D140-K144 PolarHBondContact O-N 3.5Å; D140-K144 VanDerWaalsContact O-N 3.07Å |
| 141 | Q | 96.4 | Very high | 96.7 | Very high | 91 Ų | 91 | 98.8 Ų | 98.8 | 43% | 0.425 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -46.3 | 175.7 | -177.4 | 57.6 | 27.9 | 0 | 0 | 111.9 | E137 K138 M139 E143 K144 E145 | E137-Q141 WeakPolarHBondContact O-CB 3.36Å; E137-Q141 PolarHBondContact O-N 2.82Å; K138-Q141 PolarHBondContact O-N 3Å; M139-Q141 VanDerWaalsContact C-N 3.29Å; M139-Q141 PolarHBondContact O-N 3.29Å; Q141-E143 VanDerWaalsContact C-N 3.32Å; Q141-E143 PolarHBondContact O-N 3.38Å; Q141-K144 PolarHBondContact O-N 2.91Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.44Å; Q141-E145 PolarHBondContact NE2-OE1 3.45Å; Q141-E145 WeakPolarHBondContact O-CG 3.29Å; Q141-E145 PolarHBondContact O-N 3.27Å |
| 142 | L | 95.7 | Very high | 96.7 | Very high | 103 Ų | 103 | 99 Ų | 99 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 176 | -72.2 | 170.9 | 0 | 0 | 0 | 112.6 | K138 M139 K146 | K138-L142 WeakPolarHBondContact O-CB 3.44Å; K138-L142 VanDerWaalsContact O-CG 3.31Å; K138-L142 WeakPolarHBondContact O-CG 3.38Å; K138-L142 PolarHBondContact O-N 3.47Å; M139-L142 PolarHBondContact O-N 2.8Å; L142-K146 WeakPolarHBondContact O-CB 3.35Å; L142-K146 PolarHBondContact O-N 3.35Å |
| 143 | E | 96.8 | Very high | 96.8 | Very high | 96 Ų | 96 | 99.6 Ų | 99.6 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 175.1 | -171.7 | 115.7 | -108.2 | 0 | 0 | 111.3 | M139 Q141 K146 I147 | M139-E143 WeakPolarHBondContact O-CB 3.31Å; M139-E143 PolarHBondContact O-N 3.25Å; Q141-E143 VanDerWaalsContact C-N 3.32Å; Q141-E143 PolarHBondContact O-N 3.38Å; E143-K146 PolarHBondContact O-N 2.91Å; E143-K146 IonicContact OE1-NZ 3.85Å; E143-K146 PolarHBondContact OE1-NZ 3.37Å; E143-I147 HydrophobicContact CG-CD1 4.21Å; E143-I147 WeakPolarHBondContact O-CD1 3.3Å; E143-I147 VanDerWaalsContact O-CG1 3.26Å; E143-I147 WeakPolarHBondContact O-CG1 3.35Å; E143-I147 PolarHBondContact O-N 2.93Å |
| 144 | K | 97.5 | Very high | 96.8 | Very high | 115 Ų | 115 | 98.5 Ų | 98.5 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 172.2 | -70.5 | 161.9 | -168.5 | 164.7 | 0 | 111.8 | D140 Q141 K146 I147 I148 | D140-K144 WeakPolarHBondContact O-CD 3.47Å; D140-K144 VanDerWaalsContact O-CG 3.23Å; D140-K144 WeakPolarHBondContact O-CG 3.46Å; D140-K144 PolarHBondContact O-N 3.5Å; D140-K144 VanDerWaalsContact O-N 3.07Å; Q141-K144 PolarHBondContact O-N 2.91Å; K144-K146 PolarHBondContact O-N 3.37Å; K144-I147 PolarHBondContact O-N 3.31Å; K144-I148 WeakPolarHBondContact O-CG1 3.37Å; K144-I148 PolarHBondContact O-N 3.13Å |
| 145 | E | 96.9 | Very high | 96.8 | Very high | 84 Ų | 84 | 100.4 Ų | 100.4 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 177.5 | -74.8 | 170 | -163.3 | 0 | 0 | 111.7 | Q141 I147 I148 L149 | Q141-E145 WeakPolarHBondContact CG-OE1 3.44Å; Q141-E145 PolarHBondContact NE2-OE1 3.45Å; Q141-E145 WeakPolarHBondContact O-CG 3.29Å; Q141-E145 PolarHBondContact O-N 3.27Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.48Å; E145-I148 PolarHBondContact O-N 2.98Å; E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 VanDerWaalsContact O-CG 3.29Å; E145-L149 WeakPolarHBondContact O-CG 3.39Å; E145-L149 PolarHBondContact O-N 2.96Å |
| 146 | K | 96.6 | Very high | 96.8 | Very high | 121 Ų | 121 | 98.5 Ų | 98.5 | 53% | 0.526 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 173 | 169.9 | -173.2 | 158.3 | -153.4 | 0 | 112.2 | L142 E143 K144 T150 | L142-K146 WeakPolarHBondContact O-CB 3.35Å; L142-K146 PolarHBondContact O-N 3.35Å; E143-K146 PolarHBondContact O-N 2.91Å; E143-K146 IonicContact OE1-NZ 3.85Å; E143-K146 PolarHBondContact OE1-NZ 3.37Å; K144-K146 PolarHBondContact O-N 3.37Å; K146-T150 WeakPolarHBondContact O-CG2 3.46Å; K146-T150 PolarHBondContact O-N 2.9Å; K146-T150 PolarHBondContact O-OG1 2.93Å |
| 147 | I | 98.1 | Very high | 96.8 | Very high | 101 Ų | 101 | 101.2 Ų | 101.2 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 177.5 | -69.5 | 162.9 | 0 | 0 | 0 | 111.2 | E143 K144 E145 T150 A151 | E143-I147 HydrophobicContact CG-CD1 4.21Å; E143-I147 WeakPolarHBondContact O-CD1 3.3Å; E143-I147 VanDerWaalsContact O-CG1 3.26Å; E143-I147 WeakPolarHBondContact O-CG1 3.35Å; E143-I147 PolarHBondContact O-N 2.93Å; K144-I147 PolarHBondContact O-N 3.31Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.48Å; I147-T150 PolarHBondContact O-OG1 3.32Å; I147-T150 VanDerWaalsContact O-OG1 3.1Å; I147-A151 WeakPolarHBondContact O-CB 3.29Å; I147-A151 PolarHBondContact O-N 2.98Å |
| 148 | I | 97.4 | Very high | 96.8 | Very high | 98 Ų | 98 | 99.8 Ų | 99.8 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 177.6 | -67.6 | 164.4 | 0 | 0 | 0 | 110.5 | K144 E145 T150 A151 Q152 | K144-I148 WeakPolarHBondContact O-CG1 3.37Å; K144-I148 PolarHBondContact O-N 3.13Å; E145-I148 PolarHBondContact O-N 2.98Å; I148-T150 PolarHBondContact O-N 2.94Å; I148-A151 PolarHBondContact O-N 3Å; I148-Q152 WeakPolarHBondContact O-CG 3.45Å; I148-Q152 PolarHBondContact O-N 3.36Å |
| 149 | L | 97 | Very high | 96.7 | Very high | 108 Ų | 108 | 99.2 Ų | 99.2 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.6 | -37.4 | 179.9 | -71.5 | 171.5 | 0 | 0 | 0 | 112.7 | E145 L153 | E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 VanDerWaalsContact O-CG 3.29Å; E145-L149 WeakPolarHBondContact O-CG 3.39Å; E145-L149 PolarHBondContact O-N 2.96Å; L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-L153 PolarHBondContact O-N 3.25Å |
| 150 | T | 96.6 | Very high | 96.8 | Very high | 86 Ų | 86 | 97.2 Ų | 97.2 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.5 | -34.9 | 174.7 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | K146 I147 I148 L153 Q154 | K146-T150 WeakPolarHBondContact O-CG2 3.46Å; K146-T150 PolarHBondContact O-N 2.9Å; K146-T150 PolarHBondContact O-OG1 2.93Å; I147-T150 PolarHBondContact O-OG1 3.32Å; I147-T150 VanDerWaalsContact O-OG1 3.1Å; I148-T150 PolarHBondContact O-N 2.94Å; T150-L153 PolarHBondContact O-N 2.8Å; T150-Q154 WeakPolarHBondContact O-CB 3.44Å; T150-Q154 PolarHBondContact O-N 3.12Å |
| 151 | A | 97.3 | Very high | 96.8 | Very high | 60 Ų | 60 | 98 Ų | 98 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I147 I148 L153 Q154 E155 | I147-A151 WeakPolarHBondContact O-CB 3.29Å; I147-A151 PolarHBondContact O-N 2.98Å; I148-A151 PolarHBondContact O-N 3Å; A151-L153 PolarHBondContact O-N 3.34Å; A151-Q154 PolarHBondContact O-N 2.82Å; A151-E155 WeakPolarHBondContact O-CB 3.28Å; A151-E155 PolarHBondContact O-N 3.19Å |
| 152 | Q | 96.9 | Very high | 96.8 | Very high | 102 Ų | 102 | 97.8 Ų | 97.8 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 175.5 | -73.8 | 175.9 | -11.2 | 0 | 0 | 112.4 | I148 E155 M156 | I148-Q152 WeakPolarHBondContact O-CG 3.45Å; I148-Q152 PolarHBondContact O-N 3.36Å; Q152-E155 PolarHBondContact O-N 2.98Å; Q152-M156 WeakPolarHBondContact O-CB 3.48Å; Q152-M156 WeakPolarHBondContact O-CG 3.3Å; Q152-M156 PolarHBondContact O-N 3.16Å |
| 153 | L | 96.5 | Very high | 96.8 | Very high | 120 Ų | 120 | 98.6 Ų | 98.6 | 63% | 0.628 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 177 | -171.5 | 154.4 | 0 | 0 | 0 | 111.6 | L149 T150 A151 K157 | L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-L153 PolarHBondContact O-N 3.25Å; T150-L153 PolarHBondContact O-N 2.8Å; A151-L153 PolarHBondContact O-N 3.34Å; L153-K157 WeakPolarHBondContact O-CB 3.43Å; L153-K157 PolarHBondContact O-N 3.12Å |
| 154 | Q | 97.3 | Very high | 96.9 | Very high | 90 Ų | 90 | 99.7 Ų | 99.7 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -37.1 | 176.3 | -174.5 | 59.4 | 43.9 | 0 | 0 | 111.9 | T150 A151 K157 N158 | T150-Q154 WeakPolarHBondContact O-CB 3.44Å; T150-Q154 PolarHBondContact O-N 3.12Å; A151-Q154 PolarHBondContact O-N 2.82Å; Q154-K157 PolarHBondContact O-N 3.03Å; Q154-N158 PolarHBondContact NE2-OD1 2.84Å; Q154-N158 PolarHBondContact O-N 3.47Å; Q154-N158 PolarHBondContact O-OD1 3.02Å |
| 155 | E | 96.9 | Very high | 96.8 | Very high | 109 Ų | 109 | 98.9 Ų | 98.9 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -51.1 | 174 | -170.6 | -177.4 | 173.3 | 0 | 0 | 111.3 | A151 Q152 K157 N158 Q159 | A151-E155 WeakPolarHBondContact O-CB 3.28Å; A151-E155 PolarHBondContact O-N 3.19Å; Q152-E155 PolarHBondContact O-N 2.98Å; E155-K157 PolarHBondContact O-N 3.3Å; E155-N158 WeakPolarHBondContact O-CB 3.37Å; E155-N158 PolarHBondContact O-N 2.9Å; E155-Q159 HydrophobicContact CG-CG 4.44Å; E155-Q159 WeakPolarHBondContact O-CG 3.44Å; E155-Q159 PolarHBondContact O-N 3.39Å; E155-Q159 PolarHBondContact OE1-NE2 3.36Å; E155-Q159 VanDerWaalsContact OE1-NE2 3.09Å |
| 156 | M | 95.5 | Very high | 96.8 | Very high | 120 Ų | 120 | 103.3 Ų | 103.3 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.7 | -38.3 | 175.4 | -73.6 | -62 | -59 | 0 | 0 | 112.2 | Q152 S160 | Q152-M156 WeakPolarHBondContact O-CB 3.48Å; Q152-M156 WeakPolarHBondContact O-CG 3.3Å; Q152-M156 PolarHBondContact O-N 3.16Å; M156-S160 WeakPolarHBondContact O-CB 3.34Å; M156-S160 PolarHBondContact O-N 2.94Å |
| 157 | K | 96.9 | Very high | 96.8 | Very high | 122 Ų | 122 | 104.9 Ų | 104.9 | 53% | 0.53 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 174.1 | -175.7 | 178.6 | 178 | -178.1 | 0 | 111.8 | L153 Q154 E155 S160 M161 | L153-K157 WeakPolarHBondContact O-CB 3.43Å; L153-K157 PolarHBondContact O-N 3.12Å; Q154-K157 PolarHBondContact O-N 3.03Å; E155-K157 PolarHBondContact O-N 3.3Å; K157-S160 PolarHBondContact O-N 3.33Å; K157-M161 WeakPolarHBondContact O-CG 3.45Å; K157-M161 PolarHBondContact O-N 3.42Å |
| 158 | N | 96.7 | Very high | 96.7 | Very high | 77 Ų | 77 | 103.2 Ų | 103.2 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 177 | -68.3 | -9 | 0 | 0 | 0 | 111.3 | Q154 E155 S160 M161 N162 | Q154-N158 PolarHBondContact NE2-OD1 2.84Å; Q154-N158 PolarHBondContact O-N 3.47Å; Q154-N158 PolarHBondContact O-OD1 3.02Å; E155-N158 WeakPolarHBondContact O-CB 3.37Å; E155-N158 PolarHBondContact O-N 2.9Å; N158-S160 PolarHBondContact O-N 3.35Å; N158-M161 PolarHBondContact O-N 3.02Å; N158-N162 VanDerWaalsContact O-CG 3.25Å; N158-N162 PolarHBondContact O-N 2.97Å; N158-N162 PolarHBondContact O-ND2 3.49Å |
| 159 | Q | 96.3 | Very high | 96.7 | Very high | 83 Ų | 83 | 104 Ų | 104 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 174.4 | -69.1 | 178.4 | 10.7 | 0 | 0 | 111.2 | E155 M161 N162 L163 | E155-Q159 HydrophobicContact CG-CG 4.44Å; E155-Q159 WeakPolarHBondContact O-CG 3.44Å; E155-Q159 PolarHBondContact O-N 3.39Å; E155-Q159 PolarHBondContact OE1-NE2 3.36Å; E155-Q159 VanDerWaalsContact OE1-NE2 3.09Å; Q159-M161 PolarHBondContact O-N 3.09Å; Q159-N162 PolarHBondContact O-N 2.73Å; Q159-L163 WeakPolarHBondContact O-CG 3.47Å; Q159-L163 PolarHBondContact O-N 2.88Å |
| 160 | S | 97.1 | Very high | 96.7 | Very high | 76 Ų | 76 | 103.2 Ų | 103.2 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.5 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | M156 K157 N158 L163 F164 | M156-S160 WeakPolarHBondContact O-CB 3.34Å; M156-S160 PolarHBondContact O-N 2.94Å; K157-S160 PolarHBondContact O-N 3.33Å; N158-S160 PolarHBondContact O-N 3.35Å; S160-L163 PolarHBondContact O-N 2.88Å; S160-F164 PolarHBondContact O-N 3Å |
| 161 | M | 96.2 | Very high | 96.7 | Very high | 97 Ų | 97 | 103 Ų | 103 | 48% | 0.478 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 174.6 | -69.8 | -57.2 | -51 | 0 | 0 | 112.4 | K157 N158 Q159 L163 F164 Q165 | K157-M161 WeakPolarHBondContact O-CG 3.45Å; K157-M161 PolarHBondContact O-N 3.42Å; N158-M161 PolarHBondContact O-N 3.02Å; Q159-M161 PolarHBondContact O-N 3.09Å; M161-L163 VanDerWaalsContact C-N 3.34Å; M161-L163 PolarHBondContact O-N 2.98Å; M161-F164 PolarHBondContact O-N 2.89Å; M161-Q165 WeakPolarHBondContact O-CG 3.31Å; M161-Q165 PolarHBondContact O-N 3.13Å |
| 162 | N | 96.7 | Very high | 96.7 | Very high | 86 Ų | 86 | 106.3 Ų | 106.3 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 176.5 | -68.8 | -26.9 | 0 | 0 | 0 | 112 | N158 Q159 R166 | N158-N162 VanDerWaalsContact O-CG 3.25Å; N158-N162 PolarHBondContact O-N 2.97Å; N158-N162 PolarHBondContact O-ND2 3.49Å; Q159-N162 PolarHBondContact O-N 2.73Å; N162-R166 WeakPolarHBondContact O-CB 3.34Å; N162-R166 WeakPolarHBondContact O-CG 3.34Å; N162-R166 PolarHBondContact O-N 3.31Å |
| 163 | L | 96.1 | Very high | 96.7 | Very high | 119 Ų | 119 | 106.4 Ų | 106.4 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.5 | -35.5 | 174.6 | -73.1 | 173.1 | 0 | 0 | 0 | 112.1 | Q159 S160 M161 R167 | Q159-L163 WeakPolarHBondContact O-CG 3.47Å; Q159-L163 PolarHBondContact O-N 2.88Å; S160-L163 PolarHBondContact O-N 2.88Å; M161-L163 VanDerWaalsContact C-N 3.34Å; M161-L163 PolarHBondContact O-N 2.98Å; L163-R167 WeakPolarHBondContact O-CB 3.48Å; L163-R167 PolarHBondContact O-N 2.99Å; L163-R167 VanDerWaalsContact O-N 3.13Å |
| 164 | F | 97.3 | Very high | 96.7 | Very high | 119 Ų | 119 | 105.7 Ų | 105.7 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -49.1 | 174.1 | -168.2 | -90.4 | 0 | 0 | 0 | 111.2 | S160 M161 R166 R167 D168 | S160-F164 PolarHBondContact O-N 3Å; M161-F164 PolarHBondContact O-N 2.89Å; F164-R166 PolarHBondContact O-N 2.93Å; F164-R167 WeakPolarHBondContact O-CA 3.41Å; F164-R167 VanDerWaalsContact O-CB 3.31Å; F164-R167 WeakPolarHBondContact O-CB 3.42Å; F164-R167 PolarHBondContact O-N 3.48Å; F164-D168 WeakPolarHBondContact CD1-OD2 3.45Å; F164-D168 WeakPolarHBondContact CE1-OD1 3.4Å; F164-D168 WeakPolarHBondContact CE1-OD2 3.45Å; F164-D168 PolarHBondContact O-N 3.39Å |
| 165 | Q | 96.8 | Very high | 96.6 | Very high | 98 Ų | 98 | 103.3 Ų | 103.3 | 46% | 0.458 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.3 | -46.2 | 176.3 | -73 | 173.4 | -17 | 0 | 0 | 112.5 | M161 R167 D168 E169 | M161-Q165 WeakPolarHBondContact O-CG 3.31Å; M161-Q165 PolarHBondContact O-N 3.13Å; Q165-R167 PolarHBondContact O-N 3.46Å; Q165-D168 PolarHBondContact O-N 3.33Å; Q165-E169 WeakPolarHBondContact O-CB 3.48Å; Q165-E169 VanDerWaalsContact O-CG 3.31Å; Q165-E169 WeakPolarHBondContact O-CG 3.4Å; Q165-E169 PolarHBondContact O-N 3.5Å |
| 166 | R | 96.1 | Very high | 96.7 | Very high | 177 Ų | 177 | 104.1 Ų | 104.1 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -26.2 | 175 | -75.5 | 179.4 | 178.9 | -164.7 | -0.2 | 113.5 | N162 F164 M170 | N162-R166 WeakPolarHBondContact O-CB 3.34Å; N162-R166 WeakPolarHBondContact O-CG 3.34Å; N162-R166 PolarHBondContact O-N 3.31Å; F164-R166 PolarHBondContact O-N 2.93Å; R166-M170 VanDerWaalsContact O-CB 3.28Å; R166-M170 WeakPolarHBondContact O-CB 3.4Å; R166-M170 PolarHBondContact O-N 2.97Å; R166-M170 VanDerWaalsContact O-N 3.11Å |
| 167 | R | 96.9 | Very high | 96.8 | Very high | 155 Ų | 155 | 104.1 Ų | 104.1 | 59% | 0.585 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75.8 | -45.2 | 174.6 | -169.4 | 175.6 | -165.6 | 151.7 | 10.4 | 110.9 | L163 F164 Q165 E169 M170 D171 | L163-R167 WeakPolarHBondContact O-CB 3.48Å; L163-R167 PolarHBondContact O-N 2.99Å; L163-R167 VanDerWaalsContact O-N 3.13Å; F164-R167 WeakPolarHBondContact O-CA 3.41Å; F164-R167 VanDerWaalsContact O-CB 3.31Å; F164-R167 WeakPolarHBondContact O-CB 3.42Å; F164-R167 PolarHBondContact O-N 3.48Å; Q165-R167 PolarHBondContact O-N 3.46Å; R167-E169 VanDerWaalsContact C-N 3.32Å; R167-E169 PolarHBondContact O-N 2.96Å; R167-M170 HydrophobicContact CG-CE 4.37Å; R167-M170 WeakPolarHBondContact O-CB 3.27Å; R167-M170 PolarHBondContact O-N 3.36Å; R167-M170 VanDerWaalsContact O-N 3.11Å; R167-D171 PolarHBondContact O-N 3.29Å |
| 168 | D | 96.1 | Very high | 96.8 | Very high | 66 Ų | 66 | 105 Ų | 105 | 35% | 0.353 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 174.2 | -61.7 | -21.4 | 0 | 0 | 0 | 110.7 | F164 Q165 M170 D171 E172 | F164-D168 WeakPolarHBondContact CD1-OD2 3.45Å; F164-D168 WeakPolarHBondContact CE1-OD1 3.4Å; F164-D168 WeakPolarHBondContact CE1-OD2 3.45Å; F164-D168 PolarHBondContact O-N 3.39Å; Q165-D168 PolarHBondContact O-N 3.33Å; D168-M170 VanDerWaalsContact C-N 3.31Å; D168-M170 PolarHBondContact O-N 2.91Å; D168-D171 PolarHBondContact O-N 2.92Å; D168-E172 WeakPolarHBondContact O-CG 3.35Å; D168-E172 PolarHBondContact O-N 3.04Å |
| 169 | E | 97.2 | Very high | 96.8 | Very high | 114 Ų | 114 | 106.1 Ų | 106.1 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.3 | -39.3 | 173.7 | -72.2 | 169.2 | 179.8 | 0 | 0 | 112.6 | Q165 R167 L173 | Q165-E169 WeakPolarHBondContact O-CB 3.48Å; Q165-E169 VanDerWaalsContact O-CG 3.31Å; Q165-E169 WeakPolarHBondContact O-CG 3.4Å; Q165-E169 PolarHBondContact O-N 3.5Å; R167-E169 VanDerWaalsContact C-N 3.32Å; R167-E169 PolarHBondContact O-N 2.96Å; E169-L173 WeakPolarHBondContact O-CB 3.38Å; E169-L173 VanDerWaalsContact O-CG 3.24Å; E169-L173 WeakPolarHBondContact O-CG 3.38Å; E169-L173 PolarHBondContact O-N 3.22Å |
| 170 | M | 96.3 | Very high | 96.8 | Very high | 91 Ų | 91 | 106.4 Ų | 106.4 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.9 | -44.4 | 177.9 | -175.1 | 178.3 | 72.9 | 0 | 0 | 111.7 | R166 R167 D168 E172 L173 E174 | R166-M170 VanDerWaalsContact O-CB 3.28Å; R166-M170 WeakPolarHBondContact O-CB 3.4Å; R166-M170 PolarHBondContact O-N 2.97Å; R166-M170 VanDerWaalsContact O-N 3.11Å; R167-M170 HydrophobicContact CG-CE 4.37Å; R167-M170 WeakPolarHBondContact O-CB 3.27Å; R167-M170 PolarHBondContact O-N 3.36Å; R167-M170 VanDerWaalsContact O-N 3.11Å; D168-M170 VanDerWaalsContact C-N 3.31Å; D168-M170 PolarHBondContact O-N 2.91Å; M170-E172 VanDerWaalsContact C-N 3.31Å; M170-E172 PolarHBondContact O-N 2.96Å; M170-L173 PolarHBondContact O-N 3.13Å; M170-L173 VanDerWaalsContact O-N 3.17Å; M170-E174 WeakPolarHBondContact O-CG 3.49Å; M170-E174 PolarHBondContact O-N 2.8Å |
| 171 | D | 97.1 | Very high | 96.8 | Very high | 83 Ų | 83 | 108.2 Ų | 108.2 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 177.4 | -68.8 | 5.2 | 0 | 0 | 0 | 110.7 | R167 D168 G175 | R167-D171 PolarHBondContact O-N 3.29Å; D168-D171 PolarHBondContact O-N 2.92Å; D171-G175 PolarHBondContact O-N 3.28Å |
| 172 | E | 97.6 | Very high | 96.9 | Very high | 129 Ų | 129 | 107 Ų | 107 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | 170.1 | -76.6 | -172.9 | -176.5 | 0 | 0 | 112.2 | D168 M170 G175 F176 | D168-E172 WeakPolarHBondContact O-CG 3.35Å; D168-E172 PolarHBondContact O-N 3.04Å; M170-E172 VanDerWaalsContact C-N 3.31Å; M170-E172 PolarHBondContact O-N 2.96Å; E172-G175 WeakPolarHBondContact O-CA 3.34Å; E172-G175 PolarHBondContact O-N 2.83Å; E172-F176 HydrophobicContact CB-CE2 4.41Å; E172-F176 WeakPolarHBondContact O-CD2 3.44Å; E172-F176 PolarHBondContact O-N 2.86Å |
| 173 | L | 96.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 107 Ų | 107 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.3 | -74.5 | 170 | 0 | 0 | 0 | 112.4 | E169 M170 G175 F176 Q177 | E169-L173 WeakPolarHBondContact O-CB 3.38Å; E169-L173 VanDerWaalsContact O-CG 3.24Å; E169-L173 WeakPolarHBondContact O-CG 3.38Å; E169-L173 PolarHBondContact O-N 3.22Å; M170-L173 PolarHBondContact O-N 3.13Å; M170-L173 VanDerWaalsContact O-N 3.17Å; L173-G175 VanDerWaalsContact C-N 3.32Å; L173-F176 PolarHBondContact O-N 3.4Å; L173-Q177 VanDerWaalsContact O-CG 3.3Å; L173-Q177 WeakPolarHBondContact O-CG 3.23Å; L173-Q177 PolarHBondContact O-N 3.3Å |
| 174 | E | 95.9 | Very high | 97 | Very high | 105 Ų | 105 | 105.6 Ų | 105.6 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 172 | -74.3 | -174.3 | -170.2 | 0 | 0 | 111 | M170 F176 Q177 Q178 | M170-E174 WeakPolarHBondContact O-CG 3.49Å; M170-E174 PolarHBondContact O-N 2.8Å; E174-F176 PolarHBondContact O-N 2.87Å; E174-Q177 PolarHBondContact O-N 2.95Å; E174-Q178 WeakPolarHBondContact O-CB 3.34Å; E174-Q178 PolarHBondContact O-N 3.34Å |
| 175 | G | 96.7 | Very high | 97.1 | Very high | 40 Ų | 40 | 107.3 Ų | 107.3 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D171 E172 L173 Q178 Q179 | D171-G175 PolarHBondContact O-N 3.28Å; E172-G175 WeakPolarHBondContact O-CA 3.34Å; E172-G175 PolarHBondContact O-N 2.83Å; L173-G175 VanDerWaalsContact C-N 3.32Å; G175-Q178 PolarHBondContact O-N 3.39Å; G175-Q179 PolarHBondContact O-N 2.95Å |
| 176 | F | 97.4 | Very high | 97.1 | Very high | 126 Ų | 126 | 108.2 Ų | 108.2 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -44.2 | 174.7 | -69.8 | -60 | 0 | 0 | 0 | 112.2 | E172 L173 E174 Q178 Q179 E180 | E172-F176 HydrophobicContact CB-CE2 4.41Å; E172-F176 WeakPolarHBondContact O-CD2 3.44Å; E172-F176 PolarHBondContact O-N 2.86Å; L173-F176 PolarHBondContact O-N 3.4Å; E174-F176 PolarHBondContact O-N 2.87Å; F176-Q178 VanDerWaalsContact C-N 3.34Å; F176-Q178 PolarHBondContact O-N 2.81Å; F176-Q179 WeakPolarHBondContact O-CB 3.42Å; F176-Q179 PolarHBondContact O-N 2.62Å; F176-E180 PolarHBondContact O-N 3.41Å |
| 177 | Q | 97.6 | Very high | 97.2 | Very high | 121 Ų | 121 | 105.3 Ų | 105.3 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.7 | -44 | 176.2 | -73.2 | 176.3 | 22.8 | 0 | 0 | 111.6 | L173 E174 Q179 E180 L181 | L173-Q177 VanDerWaalsContact O-CG 3.3Å; L173-Q177 WeakPolarHBondContact O-CG 3.23Å; L173-Q177 PolarHBondContact O-N 3.3Å; E174-Q177 PolarHBondContact O-N 2.95Å; Q177-Q179 VanDerWaalsContact C-N 3.3Å; Q177-Q179 PolarHBondContact O-N 2.89Å; Q177-E180 PolarHBondContact O-N 3.32Å; Q177-L181 WeakPolarHBondContact O-CB 3.41Å; Q177-L181 VanDerWaalsContact O-CG 3.3Å; Q177-L181 WeakPolarHBondContact O-CG 3.32Å; Q177-L181 PolarHBondContact O-N 2.95Å |
| 178 | Q | 97.3 | Very high | 97.2 | Very high | 140 Ų | 140 | 102.4 Ų | 102.4 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.7 | -31.4 | 178.1 | -166.8 | 165.1 | 14.6 | 0 | 0 | 112.3 | E174 G175 F176 S182 | E174-Q178 WeakPolarHBondContact O-CB 3.34Å; E174-Q178 PolarHBondContact O-N 3.34Å; G175-Q178 PolarHBondContact O-N 3.39Å; F176-Q178 VanDerWaalsContact C-N 3.34Å; F176-Q178 PolarHBondContact O-N 2.81Å; Q178-S182 WeakPolarHBondContact O-CB 3.35Å; Q178-S182 PolarHBondContact O-N 3.45Å; Q178-S182 PolarHBondContact O-OG 3.12Å |
| 179 | Q | 97.8 | Very high | 97.3 | Very high | 100 Ų | 100 | 102.7 Ų | 102.7 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -46.9 | 170.9 | -161.4 | -165 | 39.6 | 0 | 0 | 111.7 | G175 F176 Q177 S182 K183 | G175-Q179 PolarHBondContact O-N 2.95Å; F176-Q179 WeakPolarHBondContact O-CB 3.42Å; F176-Q179 PolarHBondContact O-N 2.62Å; Q177-Q179 VanDerWaalsContact C-N 3.3Å; Q177-Q179 PolarHBondContact O-N 2.89Å; Q179-S182 WeakPolarHBondContact O-CB 3.3Å; Q179-S182 PolarHBondContact O-N 2.97Å; Q179-K183 WeakPolarHBondContact O-CG 3.29Å; Q179-K183 PolarHBondContact O-N 2.92Å; Q179-K183 VanDerWaalsContact OE1-NZ 3.09Å |
| 180 | E | 95.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 102.5 Ų | 102.5 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 177.7 | -70 | -51.3 | 133.8 | 0 | 0 | 112.3 | F176 Q177 S182 K183 I184 | F176-E180 PolarHBondContact O-N 3.41Å; Q177-E180 PolarHBondContact O-N 3.32Å; E180-S182 PolarHBondContact O-N 3.16Å; E180-K183 WeakPolarHBondContact O-CB 3.5Å; E180-K183 PolarHBondContact O-N 2.92Å; E180-K183 VanDerWaalsContact O-N 3.13Å; E180-K183 IonicContact OE1-NZ 2.68Å; E180-K183 PolarHBondContact OE1-NZ 3.41Å; E180-I184 WeakPolarHBondContact O-CB 3.32Å; E180-I184 VanDerWaalsContact O-CG1 3.31Å; E180-I184 WeakPolarHBondContact O-CG1 3.33Å; E180-I184 PolarHBondContact O-N 3.33Å |
| 181 | L | 97.3 | Very high | 97.4 | Very high | 114 Ų | 114 | 105.4 Ų | 105.4 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.6 | -38.5 | 172.1 | -73.6 | 171 | 0 | 0 | 0 | 111.9 | Q177 K185 | Q177-L181 WeakPolarHBondContact O-CB 3.41Å; Q177-L181 VanDerWaalsContact O-CG 3.3Å; Q177-L181 WeakPolarHBondContact O-CG 3.32Å; Q177-L181 PolarHBondContact O-N 2.95Å; L181-K185 VanDerWaalsContact O-CB 3.26Å; L181-K185 WeakPolarHBondContact O-CB 3.36Å; L181-K185 PolarHBondContact O-N 3.4Å |
| 182 | S | 97.4 | Very high | 97.4 | Very high | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 176.1 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | Q178 Q179 E180 H186 | Q178-S182 WeakPolarHBondContact O-CB 3.35Å; Q178-S182 PolarHBondContact O-N 3.45Å; Q178-S182 PolarHBondContact O-OG 3.12Å; Q179-S182 WeakPolarHBondContact O-CB 3.3Å; Q179-S182 PolarHBondContact O-N 2.97Å; E180-S182 PolarHBondContact O-N 3.16Å; S182-H186 WeakPolarHBondContact O-CB 3.16Å; S182-H186 PolarHBondContact O-N 3.36Å |
| 183 | K | 98.2 | Very high | 97.3 | Very high | 87 Ų | 87 | 105.9 Ų | 105.9 | 38% | 0.378 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 172.9 | -70.4 | 167.1 | -172.3 | 163.7 | 0 | 111.1 | Q179 E180 H186 M187 | Q179-K183 WeakPolarHBondContact O-CG 3.29Å; Q179-K183 PolarHBondContact O-N 2.92Å; Q179-K183 VanDerWaalsContact OE1-NZ 3.09Å; E180-K183 WeakPolarHBondContact O-CB 3.5Å; E180-K183 PolarHBondContact O-N 2.92Å; E180-K183 VanDerWaalsContact O-N 3.13Å; E180-K183 IonicContact OE1-NZ 2.68Å; E180-K183 PolarHBondContact OE1-NZ 3.41Å; K183-H186 PolarHBondContact O-N 3.18Å; K183-M187 WeakPolarHBondContact O-CG 3.46Å; K183-M187 PolarHBondContact O-N 2.89Å |
| 184 | I | 97.9 | Very high | 97.3 | Very high | 88 Ų | 88 | 103.5 Ų | 103.5 | 45% | 0.451 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 177.6 | -68.3 | 165.7 | 0 | 0 | 0 | 110.3 | E180 H186 M187 L188 | E180-I184 WeakPolarHBondContact O-CB 3.32Å; E180-I184 VanDerWaalsContact O-CG1 3.31Å; E180-I184 WeakPolarHBondContact O-CG1 3.33Å; E180-I184 PolarHBondContact O-N 3.33Å; I184-H186 VanDerWaalsContact C-N 3.31Å; I184-H186 PolarHBondContact O-N 2.87Å; I184-M187 HydrophobicContact CG1-CE 4.43Å; I184-M187 PolarHBondContact O-N 3.18Å; I184-L188 WeakPolarHBondContact O-CB 3.39Å; I184-L188 PolarHBondContact O-N 3Å |
| 185 | K | 98.3 | Very high | 97.4 | Very high | 155 Ų | 155 | 103.3 Ų | 103.3 | 67% | 0.674 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.2 | -42.4 | 176.6 | -175.7 | 176.4 | -178.8 | 177.7 | 0 | 112.2 | L181 L189 | L181-K185 VanDerWaalsContact O-CB 3.26Å; L181-K185 WeakPolarHBondContact O-CB 3.36Å; L181-K185 PolarHBondContact O-N 3.4Å; K185-L189 VanDerWaalsContact O-CB 3.31Å; K185-L189 WeakPolarHBondContact O-CB 3.44Å; K185-L189 PolarHBondContact O-N 3.42Å |
| 186 | H | 97.9 | Very high | 97.4 | Very high | 117 Ų | 117 | 102.4 Ų | 102.4 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 177.3 | -177 | 58.5 | 0 | 0 | 0 | 112.9 | S182 K183 I184 K190 | S182-H186 WeakPolarHBondContact O-CB 3.16Å; S182-H186 PolarHBondContact O-N 3.36Å; K183-H186 PolarHBondContact O-N 3.18Å; I184-H186 VanDerWaalsContact C-N 3.31Å; I184-H186 PolarHBondContact O-N 2.87Å; H186-K190 WeakPolarHBondContact NE2-CE 3.44Å; H186-K190 WeakPolarHBondContact O-CB 3.06Å; H186-K190 WeakPolarHBondContact O-CG 3.32Å; H186-K190 PolarHBondContact O-N 2.87Å |
| 187 | M | 97.2 | Very high | 97.4 | Very high | 117 Ų | 117 | 102.1 Ų | 102.1 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.7 | -42.3 | 175 | -71.4 | -166.6 | -61.9 | 0 | 0 | 112 | K183 I184 K190 K191 | K183-M187 WeakPolarHBondContact O-CG 3.46Å; K183-M187 PolarHBondContact O-N 2.89Å; I184-M187 HydrophobicContact CG1-CE 4.43Å; I184-M187 PolarHBondContact O-N 3.18Å; M187-K190 PolarHBondContact O-N 3.47Å; M187-K191 VanDerWaalsContact O-CG 3.32Å; M187-K191 WeakPolarHBondContact O-CG 3.4Å; M187-K191 PolarHBondContact O-N 2.75Å |
| 188 | L | 97.6 | Very high | 97.3 | Very high | 93 Ų | 93 | 102.4 Ų | 102.4 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -49 | 178.8 | -170.5 | 152.1 | 0 | 0 | 0 | 110.5 | I184 K190 K191 E192 | I184-L188 WeakPolarHBondContact O-CB 3.39Å; I184-L188 PolarHBondContact O-N 3Å; L188-K190 VanDerWaalsContact C-N 3.33Å; L188-K190 PolarHBondContact O-N 2.74Å; L188-K191 CarbonylContact O-C 3.58Å; L188-K191 WeakPolarHBondContact O-CA 3.27Å; L188-K191 WeakPolarHBondContact O-CB 3.31Å; L188-K191 PolarHBondContact O-N 3Å; L188-E192 HydrophobicContact CD2-CG 4.02Å; L188-E192 WeakPolarHBondContact CD2-OE1 3.26Å; L188-E192 WeakPolarHBondContact O-CG 3.44Å; L188-E192 PolarHBondContact O-N 3.46Å |
| 189 | L | 98.4 | Very high | 97.3 | Very high | 72 Ų | 72 | 101.2 Ų | 101.2 | 38% | 0.377 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 177.1 | -171.3 | 133.9 | 0 | 0 | 0 | 112.2 | K185 K191 E192 E193 | K185-L189 VanDerWaalsContact O-CB 3.31Å; K185-L189 WeakPolarHBondContact O-CB 3.44Å; K185-L189 PolarHBondContact O-N 3.42Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 2.84Å; L189-E192 PolarHBondContact O-N 3.39Å; L189-E193 WeakPolarHBondContact CD2-OE1 3.4Å; L189-E193 WeakPolarHBondContact O-CG 3.2Å; L189-E193 PolarHBondContact O-N 3.01Å |
| 190 | K | 97.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 102.9 Ų | 102.9 | 48% | 0.478 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -33.5 | 171.1 | -85.2 | 177.2 | 161.7 | 168.3 | 0 | 113.4 | H186 M187 L188 S194 | H186-K190 WeakPolarHBondContact NE2-CE 3.44Å; H186-K190 WeakPolarHBondContact O-CB 3.06Å; H186-K190 WeakPolarHBondContact O-CG 3.32Å; H186-K190 PolarHBondContact O-N 2.87Å; M187-K190 PolarHBondContact O-N 3.47Å; L188-K190 VanDerWaalsContact C-N 3.33Å; L188-K190 PolarHBondContact O-N 2.74Å; K190-S194 WeakPolarHBondContact O-CB 3.41Å; K190-S194 PolarHBondContact O-N 3.44Å; K190-S194 VanDerWaalsContact O-N 3.08Å; K190-S194 PolarHBondContact O-OG 3.34Å |
| 191 | K | 97.3 | Very high | 97.4 | Very high | 153 Ų | 153 | 104.1 Ų | 104.1 | 67% | 0.665 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.8 | -43.2 | 176.7 | -75.7 | -70.8 | -177 | 178.5 | 0 | 111.1 | M187 L188 L189 S194 L195 | M187-K191 VanDerWaalsContact O-CG 3.32Å; M187-K191 WeakPolarHBondContact O-CG 3.4Å; M187-K191 PolarHBondContact O-N 2.75Å; L188-K191 CarbonylContact O-C 3.58Å; L188-K191 WeakPolarHBondContact O-CA 3.27Å; L188-K191 WeakPolarHBondContact O-CB 3.31Å; L188-K191 PolarHBondContact O-N 3Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 2.84Å; K191-S194 WeakPolarHBondContact CA-OG 3.47Å; K191-S194 PolarHBondContact O-N 3.31Å; K191-S194 VanDerWaalsContact O-N 3.14Å; K191-S194 PolarHBondContact O-OG 2.89Å; K191-L195 WeakPolarHBondContact O-CB 3.49Å; K191-L195 PolarHBondContact O-N 3.36Å |
| 192 | E | 96.7 | Very high | 97.4 | Very high | 117 Ų | 117 | 104.6 Ų | 104.6 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 171 | -69 | 175.4 | 150.5 | 0 | 0 | 111.4 | L188 L189 S194 L195 G196 | L188-E192 HydrophobicContact CD2-CG 4.02Å; L188-E192 WeakPolarHBondContact CD2-OE1 3.26Å; L188-E192 WeakPolarHBondContact O-CG 3.44Å; L188-E192 PolarHBondContact O-N 3.46Å; L189-E192 PolarHBondContact O-N 3.39Å; E192-S194 VanDerWaalsContact C-N 3.29Å; E192-S194 PolarHBondContact O-N 3.46Å; E192-L195 PolarHBondContact O-N 2.97Å; E192-G196 PolarHBondContact O-N 2.94Å |
| 193 | E | 97.3 | Very high | 97.4 | Very high | 104 Ų | 104 | 106.5 Ų | 106.5 | 49% | 0.486 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.8 | -37.2 | 174.1 | -76.6 | 179 | -169.2 | 0 | 0 | 113.1 | L189 K197 | L189-E193 WeakPolarHBondContact CD2-OE1 3.4Å; L189-E193 WeakPolarHBondContact O-CG 3.2Å; L189-E193 PolarHBondContact O-N 3.01Å; E193-K197 WeakPolarHBondContact O-CD 3.47Å; E193-K197 WeakPolarHBondContact O-CG 3.41Å; E193-K197 PolarHBondContact O-N 2.92Å |
| 194 | S | 96.2 | Very high | 97.4 | Very high | 53 Ų | 53 | 103.8 Ų | 103.8 | 37% | 0.371 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.4 | -33.9 | 177.4 | 72 | 0 | 0 | 0 | 0 | 112.9 | K190 K191 E192 M198 | K190-S194 WeakPolarHBondContact O-CB 3.41Å; K190-S194 PolarHBondContact O-N 3.44Å; K190-S194 VanDerWaalsContact O-N 3.08Å; K190-S194 PolarHBondContact O-OG 3.34Å; K191-S194 WeakPolarHBondContact CA-OG 3.47Å; K191-S194 PolarHBondContact O-N 3.31Å; K191-S194 VanDerWaalsContact O-N 3.14Å; K191-S194 PolarHBondContact O-OG 2.89Å; E192-S194 VanDerWaalsContact C-N 3.29Å; E192-S194 PolarHBondContact O-N 3.46Å; S194-M198 PolarHBondContact O-N 3.25Å; S194-M198 VanDerWaalsContact O-N 3.14Å |
| 195 | L | 97.2 | Very high | 97.3 | Very high | 102 Ų | 102 | 107.6 Ų | 107.6 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.6 | -49 | 176.7 | -173 | 112.9 | 0 | 0 | 0 | 110 | K191 E192 K197 M198 E199 | K191-L195 WeakPolarHBondContact O-CB 3.49Å; K191-L195 PolarHBondContact O-N 3.36Å; E192-L195 PolarHBondContact O-N 2.97Å; L195-K197 PolarHBondContact O-N 3.45Å; L195-M198 CarbonylContact O-C 3.57Å; L195-M198 WeakPolarHBondContact O-CA 3.41Å; L195-M198 WeakPolarHBondContact O-CB 3.41Å; L195-M198 PolarHBondContact O-N 3.47Å; L195-E199 WeakPolarHBondContact CD2-OE1 3.39Å; L195-E199 WeakPolarHBondContact O-CG 3.49Å; L195-E199 PolarHBondContact O-N 3.49Å |
| 196 | G | 97.4 | Very high | 97.3 | Very high | 21 Ų | 21 | 104.2 Ų | 104.2 | 22% | 0.216 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -60.4 | -30.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E192 Q200 | E192-G196 PolarHBondContact O-N 2.94Å; G196-Q200 VanDerWaalsContact O-CG 3.25Å; G196-Q200 WeakPolarHBondContact O-CG 3.3Å; G196-Q200 PolarHBondContact O-N 2.88Å; G196-Q200 VanDerWaalsContact O-N 3.08Å |
| 197 | K | 97.8 | Very high | 97.3 | Very high | 120 Ų | 120 | 103.6 Ų | 103.6 | 52% | 0.522 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -45.9 | 170.5 | -73.8 | 167.4 | -174.1 | 166.4 | 0 | 111.9 | E193 L195 E199 Q200 E201 | E193-K197 WeakPolarHBondContact O-CD 3.47Å; E193-K197 WeakPolarHBondContact O-CG 3.41Å; E193-K197 PolarHBondContact O-N 2.92Å; L195-K197 PolarHBondContact O-N 3.45Å; K197-E199 VanDerWaalsContact C-N 3.32Å; K197-E199 PolarHBondContact O-N 3.05Å; K197-Q200 PolarHBondContact O-N 2.96Å; K197-E201 WeakPolarHBondContact O-CG 3.38Å; K197-E201 PolarHBondContact O-N 3.23Å |
| 198 | M | 96.1 | Very high | 97.3 | Very high | 127 Ų | 127 | 102.1 Ų | 102.1 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.9 | -36.8 | 175.6 | -77.2 | -75.8 | 167.6 | 0 | 0 | 112.5 | S194 L195 E201 L202 | S194-M198 PolarHBondContact O-N 3.25Å; S194-M198 VanDerWaalsContact O-N 3.14Å; L195-M198 CarbonylContact O-C 3.57Å; L195-M198 WeakPolarHBondContact O-CA 3.41Å; L195-M198 WeakPolarHBondContact O-CB 3.41Å; L195-M198 PolarHBondContact O-N 3.47Å; M198-E201 PolarHBondContact O-N 3.28Å; M198-L202 VanDerWaalsContact O-CB 3.32Å; M198-L202 WeakPolarHBondContact O-CB 3.33Å; M198-L202 PolarHBondContact O-N 2.96Å |
| 199 | E | 96.8 | Very high | 97.3 | Very high | 114 Ų | 114 | 102.8 Ų | 102.8 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 173.6 | -71 | 174.6 | 156.8 | 0 | 0 | 111.6 | L195 K197 L202 E203 | L195-E199 WeakPolarHBondContact CD2-OE1 3.39Å; L195-E199 WeakPolarHBondContact O-CG 3.49Å; L195-E199 PolarHBondContact O-N 3.49Å; K197-E199 VanDerWaalsContact C-N 3.32Å; K197-E199 PolarHBondContact O-N 3.05Å; E199-L202 PolarHBondContact O-N 2.87Å; E199-E203 WeakPolarHBondContact O-CB 3.36Å; E199-E203 PolarHBondContact O-N 2.97Å |
| 200 | Q | 97.6 | Very high | 97.2 | Very high | 136 Ų | 136 | 102.3 Ų | 102.3 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 174.6 | -73.8 | 171.9 | 15.2 | 0 | 0 | 112.5 | G196 K197 A204 | G196-Q200 VanDerWaalsContact O-CG 3.25Å; G196-Q200 WeakPolarHBondContact O-CG 3.3Å; G196-Q200 PolarHBondContact O-N 2.88Å; G196-Q200 VanDerWaalsContact O-N 3.08Å; K197-Q200 PolarHBondContact O-N 2.96Å; Q200-A204 WeakPolarHBondContact O-CB 3.32Å; Q200-A204 PolarHBondContact O-N 2.88Å |
| 201 | E | 97.8 | Very high | 97.2 | Very high | 116 Ų | 116 | 103.7 Ų | 103.7 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 174 | -74.9 | 178.5 | -155.7 | 0 | 0 | 111.5 | K197 M198 A204 R205 | K197-E201 WeakPolarHBondContact O-CG 3.38Å; K197-E201 PolarHBondContact O-N 3.23Å; M198-E201 PolarHBondContact O-N 3.28Å; E201-A204 WeakPolarHBondContact O-CB 3.29Å; E201-A204 PolarHBondContact O-N 3.19Å; E201-R205 WeakPolarHBondContact O-CG 3.47Å; E201-R205 PolarHBondContact O-N 3.4Å |
| 202 | L | 97.1 | Very high | 97.1 | Very high | 123 Ų | 123 | 100.3 Ų | 100.3 | 64% | 0.644 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | 176.2 | -170.9 | 81.6 | 0 | 0 | 0 | 111.6 | M198 E199 A204 R205 T206 | M198-L202 VanDerWaalsContact O-CB 3.32Å; M198-L202 WeakPolarHBondContact O-CB 3.33Å; M198-L202 PolarHBondContact O-N 2.96Å; E199-L202 PolarHBondContact O-N 2.87Å; L202-A204 VanDerWaalsContact C-N 3.34Å; L202-R205 PolarHBondContact O-N 2.99Å; L202-T206 WeakPolarHBondContact O-CB 3.43Å; L202-T206 PolarHBondContact O-N 3.35Å; L202-T206 PolarHBondContact O-OG1 3.39Å |
| 203 | E | 97.7 | Very high | 97.1 | Very high | 112 Ų | 112 | 100.1 Ų | 100.1 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 176.6 | -163.1 | -159.8 | -146.3 | 0 | 0 | 111.2 | E199 T206 R207 | E199-E203 WeakPolarHBondContact O-CB 3.36Å; E199-E203 PolarHBondContact O-N 2.97Å; E203-T206 PolarHBondContact O-N 2.87Å; E203-R207 WeakPolarHBondContact O-CB 3.4Å; E203-R207 WeakPolarHBondContact O-CG 3.43Å; E203-R207 PolarHBondContact O-N 2.57Å; E203-R207 PolarHBondContact O-NE 3.2Å; E203-R207 IonicContact OE2-CZ 3.62Å; E203-R207 IonicContact OE2-NE 3.59Å; E203-R207 IonicContact OE2-NH2 2.78Å; E203-R207 PolarHBondContact OE2-NH2 3.21Å |
| 204 | A | 97.4 | Very high | 97.1 | Very high | 29 Ų | 29 | 101.1 Ų | 101.1 | 24% | 0.24 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q200 E201 L202 T206 R207 E208 | Q200-A204 WeakPolarHBondContact O-CB 3.32Å; Q200-A204 PolarHBondContact O-N 2.88Å; E201-A204 WeakPolarHBondContact O-CB 3.29Å; E201-A204 PolarHBondContact O-N 3.19Å; L202-A204 VanDerWaalsContact C-N 3.34Å; A204-T206 VanDerWaalsContact C-N 3.32Å; A204-T206 PolarHBondContact O-N 3.47Å; A204-R207 PolarHBondContact O-N 3.24Å; A204-E208 WeakPolarHBondContact O-CG 3.47Å; A204-E208 PolarHBondContact O-N 3.04Å |
| 205 | R | 96.9 | Very high | 97.2 | Very high | 169 Ų | 169 | 104.6 Ų | 104.6 | 64% | 0.638 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62 | -37.4 | 174.4 | -69.6 | -52.7 | -168.4 | -177.6 | 3.2 | 112.8 | E201 L202 E208 L209 | E201-R205 WeakPolarHBondContact O-CG 3.47Å; E201-R205 PolarHBondContact O-N 3.4Å; L202-R205 PolarHBondContact O-N 2.99Å; R205-E208 VanDerWaalsContact CD-OE2 3.23Å; R205-E208 WeakPolarHBondContact CD-OE2 3.4Å; R205-E208 IonicContact CZ-OE2 2.68Å; R205-E208 IonicContact NE-OE2 3.22Å; R205-E208 IonicContact NH1-OE2 3.99Å; R205-E208 PolarHBondContact NH1-OE2 3Å; R205-E208 PolarHBondContact O-N 3.47Å; R205-L209 WeakPolarHBondContact O-CB 3.29Å; R205-L209 PolarHBondContact O-N 3.4Å |
| 206 | T | 97.2 | Very high | 97.1 | Very high | 84 Ų | 84 | 104.5 Ų | 104.5 | 52% | 0.515 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | L202 E203 A204 L209 S210 | L202-T206 WeakPolarHBondContact O-CB 3.43Å; L202-T206 PolarHBondContact O-N 3.35Å; L202-T206 PolarHBondContact O-OG1 3.39Å; E203-T206 PolarHBondContact O-N 2.87Å; A204-T206 VanDerWaalsContact C-N 3.32Å; A204-T206 PolarHBondContact O-N 3.47Å; T206-L209 PolarHBondContact O-N 2.84Å; T206-S210 PolarHBondContact O-N 2.98Å; T206-S210 PolarHBondContact O-OG 3.18Å |
| 207 | R | 97.6 | Very high | 97.1 | Very high | 104 Ų | 104 | 109.8 Ų | 109.8 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.9 | -28.2 | 174.5 | -73.8 | -176.6 | -91.3 | 101.5 | -6.4 | 113.7 | E203 A204 S210 R211 | E203-R207 WeakPolarHBondContact O-CB 3.4Å; E203-R207 WeakPolarHBondContact O-CG 3.43Å; E203-R207 PolarHBondContact O-N 2.57Å; E203-R207 PolarHBondContact O-NE 3.2Å; E203-R207 IonicContact OE2-CZ 3.62Å; E203-R207 IonicContact OE2-NE 3.59Å; E203-R207 IonicContact OE2-NH2 2.78Å; E203-R207 PolarHBondContact OE2-NH2 3.21Å; A204-R207 PolarHBondContact O-N 3.24Å; R207-S210 PolarHBondContact O-OG 3.37Å; R207-R211 WeakPolarHBondContact O-CG 3.34Å |
| 208 | E | 97.4 | Very high | 97.1 | Very high | 86 Ų | 86 | 108.7 Ų | 108.7 | 40% | 0.402 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.6 | -48.9 | 170.1 | -74.2 | 171.5 | 180 | 0 | 0 | 110.8 | A204 R205 S210 R211 T212 | A204-E208 WeakPolarHBondContact O-CG 3.47Å; A204-E208 PolarHBondContact O-N 3.04Å; R205-E208 VanDerWaalsContact CD-OE2 3.23Å; R205-E208 WeakPolarHBondContact CD-OE2 3.4Å; R205-E208 IonicContact CZ-OE2 2.68Å; R205-E208 IonicContact NE-OE2 3.22Å; R205-E208 IonicContact NH1-OE2 3.99Å; R205-E208 PolarHBondContact NH1-OE2 3Å; R205-E208 PolarHBondContact O-N 3.47Å; E208-S210 PolarHBondContact O-N 2.69Å; E208-R211 WeakPolarHBondContact O-CB 3.17Å; E208-R211 PolarHBondContact O-N 2.88Å; E208-R211 VanDerWaalsContact O-N 3.14Å; E208-T212 PolarHBondContact O-N 2.98Å |
| 209 | L | 96.8 | Very high | 97.1 | Very high | 107 Ų | 107 | 106.1 Ų | 106.1 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.3 | -44.7 | -179.5 | -174.6 | 140.7 | 0 | 0 | 0 | 111.7 | R205 T206 R211 T212 Q213 | R205-L209 WeakPolarHBondContact O-CB 3.29Å; R205-L209 PolarHBondContact O-N 3.4Å; T206-L209 PolarHBondContact O-N 2.84Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-R211 PolarHBondContact O-N 3.31Å; L209-T212 WeakPolarHBondContact CA-OG1 3.5Å; L209-T212 PolarHBondContact O-N 3.48Å; L209-T212 PolarHBondContact O-OG1 3.2Å; L209-Q213 WeakPolarHBondContact O-CB 3.39Å; L209-Q213 PolarHBondContact O-N 3.07Å |
| 210 | S | 96.8 | Very high | 97 | Very high | 62 Ų | 62 | 105.2 Ų | 105.2 | 43% | 0.434 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 177.1 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | T206 R207 E208 Q213 E214 | T206-S210 PolarHBondContact O-N 2.98Å; T206-S210 PolarHBondContact O-OG 3.18Å; R207-S210 PolarHBondContact O-OG 3.37Å; E208-S210 PolarHBondContact O-N 2.69Å; S210-Q213 PolarHBondContact O-N 3.45Å; S210-E214 PolarHBondContact O-N 3.37Å |
| 211 | R | 97.6 | Very high | 97 | Very high | 139 Ų | 139 | 103.9 Ų | 103.9 | 53% | 0.525 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -47.1 | 174.5 | -70.9 | 172.4 | -171.5 | 141.6 | -1.6 | 111.6 | R207 E208 L209 Q213 E214 E215 | R207-R211 WeakPolarHBondContact O-CG 3.34Å; E208-R211 WeakPolarHBondContact O-CB 3.17Å; E208-R211 PolarHBondContact O-N 2.88Å; E208-R211 VanDerWaalsContact O-N 3.14Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-R211 PolarHBondContact O-N 3.31Å; R211-Q213 PolarHBondContact O-N 3.2Å; R211-E214 WeakPolarHBondContact O-CB 3.45Å; R211-E214 PolarHBondContact O-N 3.31Å; R211-E214 VanDerWaalsContact O-N 3.12Å; R211-E215 WeakPolarHBondContact O-CB 3.41Å; R211-E215 WeakPolarHBondContact O-CG 3.5Å; R211-E215 PolarHBondContact O-N 3.24Å |
| 212 | T | 96 | Very high | 97 | Very high | 81 Ų | 81 | 104 Ų | 104 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -31 | 178 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | E208 L209 L216 | E208-T212 PolarHBondContact O-N 2.98Å; L209-T212 WeakPolarHBondContact CA-OG1 3.5Å; L209-T212 PolarHBondContact O-N 3.48Å; L209-T212 PolarHBondContact O-OG1 3.2Å; T212-L216 VanDerWaalsContact O-CB 3.28Å; T212-L216 WeakPolarHBondContact O-CB 3.32Å; T212-L216 PolarHBondContact O-N 2.88Å |
| 213 | Q | 97.1 | Very high | 96.9 | Very high | 114 Ų | 114 | 101.3 Ų | 101.3 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.4 | -38.5 | 174.6 | -172.6 | 171.4 | -3.5 | 0 | 0 | 112.1 | L209 S210 R211 L216 M217 | L209-Q213 WeakPolarHBondContact O-CB 3.39Å; L209-Q213 PolarHBondContact O-N 3.07Å; S210-Q213 PolarHBondContact O-N 3.45Å; R211-Q213 PolarHBondContact O-N 3.2Å; Q213-L216 PolarHBondContact O-N 3.02Å; Q213-M217 WeakPolarHBondContact O-CG 3.42Å; Q213-M217 PolarHBondContact O-N 3.2Å |
| 214 | E | 97.1 | Very high | 96.8 | Very high | 124 Ų | 124 | 99.1 Ų | 99.1 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 172.3 | -173.6 | 176.3 | -172.4 | 0 | 0 | 111.6 | S210 R211 L216 M217 N218 | S210-E214 PolarHBondContact O-N 3.37Å; R211-E214 WeakPolarHBondContact O-CB 3.45Å; R211-E214 PolarHBondContact O-N 3.31Å; R211-E214 VanDerWaalsContact O-N 3.12Å; E214-L216 VanDerWaalsContact C-N 3.34Å; E214-L216 PolarHBondContact O-N 2.85Å; E214-M217 PolarHBondContact O-N 3.35Å; E214-N218 WeakPolarHBondContact O-CB 3.31Å; E214-N218 VanDerWaalsContact O-CG 3.25Å; E214-N218 PolarHBondContact O-N 2.92Å; E214-N218 PolarHBondContact O-ND2 2.91Å |
| 215 | E | 97.3 | Very high | 96.8 | Very high | 126 Ų | 126 | 100.4 Ų | 100.4 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.1 | -42.3 | 173.1 | -72.2 | 170.4 | -174.8 | 0 | 0 | 112 | R211 N218 S219 | R211-E215 WeakPolarHBondContact O-CB 3.41Å; R211-E215 WeakPolarHBondContact O-CG 3.5Å; R211-E215 PolarHBondContact O-N 3.24Å; E215-N218 PolarHBondContact O-N 3.49Å; E215-S219 WeakPolarHBondContact O-CB 3.28Å; E215-S219 PolarHBondContact O-N 3.33Å |
| 216 | L | 96.6 | Very high | 96.8 | Very high | 100 Ų | 100 | 97.3 Ų | 97.3 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 175.2 | -179.8 | 63 | 0 | 0 | 0 | 112.2 | T212 Q213 E214 S219 N220 | T212-L216 VanDerWaalsContact O-CB 3.28Å; T212-L216 WeakPolarHBondContact O-CB 3.32Å; T212-L216 PolarHBondContact O-N 2.88Å; Q213-L216 PolarHBondContact O-N 3.02Å; E214-L216 VanDerWaalsContact C-N 3.34Å; E214-L216 PolarHBondContact O-N 2.85Å; L216-S219 PolarHBondContact O-N 2.84Å; L216-N220 WeakPolarHBondContact O-CB 3.49Å; L216-N220 VanDerWaalsContact O-CG 3.28Å; L216-N220 PolarHBondContact O-N 3.45Å; L216-N220 PolarHBondContact O-ND2 3.41Å |
| 217 | M | 96.4 | Very high | 96.8 | Very high | 133 Ų | 133 | 96.3 Ų | 96.3 | 66% | 0.655 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 175.3 | -69.8 | -124.1 | -72.7 | 0 | 0 | 111.4 | Q213 E214 N220 Q221 | Q213-M217 WeakPolarHBondContact O-CG 3.42Å; Q213-M217 PolarHBondContact O-N 3.2Å; E214-M217 PolarHBondContact O-N 3.35Å; M217-N220 PolarHBondContact O-N 2.9Å; M217-Q221 PolarHBondContact O-N 3.47Å |
| 218 | N | 97.4 | Very high | 96.8 | Very high | 96 Ų | 96 | 96.5 Ų | 96.5 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.3 | -69.5 | -30.1 | 0 | 0 | 0 | 111.8 | E214 E215 Q221 M222 | E214-N218 WeakPolarHBondContact O-CB 3.31Å; E214-N218 VanDerWaalsContact O-CG 3.25Å; E214-N218 PolarHBondContact O-N 2.92Å; E214-N218 PolarHBondContact O-ND2 2.91Å; E215-N218 PolarHBondContact O-N 3.49Å; N218-Q221 PolarHBondContact O-N 3.07Å; N218-M222 VanDerWaalsContact O-CG 3.29Å; N218-M222 WeakPolarHBondContact O-CG 3.41Å; N218-M222 PolarHBondContact O-N 2.89Å |
| 219 | S | 95.8 | Very high | 96.7 | Very high | 73 Ų | 73 | 97.8 Ų | 97.8 | 51% | 0.51 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.2 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | E215 L216 Q221 M222 S223 | E215-S219 WeakPolarHBondContact O-CB 3.28Å; E215-S219 PolarHBondContact O-N 3.33Å; L216-S219 PolarHBondContact O-N 2.84Å; S219-Q221 PolarHBondContact O-N 2.7Å; S219-M222 PolarHBondContact O-N 2.87Å; S219-S223 WeakPolarHBondContact O-CB 3.5Å; S219-S223 PolarHBondContact O-N 2.84Å |
| 220 | N | 95.9 | Very high | 96.7 | Very high | 95 Ų | 95 | 98.4 Ų | 98.4 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 175.9 | -74.9 | -20.7 | 0 | 0 | 0 | 112 | L216 M217 S223 S224 | L216-N220 WeakPolarHBondContact O-CB 3.49Å; L216-N220 VanDerWaalsContact O-CG 3.28Å; L216-N220 PolarHBondContact O-N 3.45Å; L216-N220 PolarHBondContact O-ND2 3.41Å; M217-N220 PolarHBondContact O-N 2.9Å; N220-S223 WeakPolarHBondContact O-CB 3.36Å; N220-S223 PolarHBondContact O-N 3.48Å; N220-S224 PolarHBondContact O-N 3.15Å |
| 221 | Q | 97.5 | Very high | 96.7 | Very high | 109 Ų | 109 | 100.2 Ų | 100.2 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 174.1 | -174.4 | 62.1 | 53.9 | 0 | 0 | 111.1 | M217 N218 S219 S223 S224 D225 | M217-Q221 PolarHBondContact O-N 3.47Å; N218-Q221 PolarHBondContact O-N 3.07Å; S219-Q221 PolarHBondContact O-N 2.7Å; Q221-S223 VanDerWaalsContact C-N 3.27Å; Q221-S223 PolarHBondContact O-N 2.93Å; Q221-S224 WeakPolarHBondContact O-CB 3.31Å; Q221-S224 PolarHBondContact O-N 3.18Å; Q221-S224 VanDerWaalsContact O-N 3.13Å; Q221-D225 PolarHBondContact NE2-OD1 3.4Å; Q221-D225 PolarHBondContact O-N 2.89Å |
| 222 | M | 96.6 | Very high | 96.7 | Very high | 117 Ų | 117 | 97.4 Ų | 97.4 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.1 | -37.1 | 176 | -70.6 | -65.5 | -61.2 | 0 | 0 | 112.5 | N218 S219 L226 | N218-M222 VanDerWaalsContact O-CG 3.29Å; N218-M222 WeakPolarHBondContact O-CG 3.41Å; N218-M222 PolarHBondContact O-N 2.89Å; S219-M222 PolarHBondContact O-N 2.87Å; M222-L226 WeakPolarHBondContact O-CB 3.49Å; M222-L226 VanDerWaalsContact O-CG 3.32Å; M222-L226 WeakPolarHBondContact O-CG 3.34Å; M222-L226 PolarHBondContact O-N 3.18Å |
| 223 | S | 94.8 | Very high | 96.7 | Very high | 67 Ų | 67 | 97.9 Ų | 97.9 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 174.2 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | S219 N220 Q221 L226 S227 | S219-S223 WeakPolarHBondContact O-CB 3.5Å; S219-S223 PolarHBondContact O-N 2.84Å; N220-S223 WeakPolarHBondContact O-CB 3.36Å; N220-S223 PolarHBondContact O-N 3.48Å; Q221-S223 VanDerWaalsContact C-N 3.27Å; Q221-S223 PolarHBondContact O-N 2.93Å; S223-L226 PolarHBondContact O-N 3.17Å; S223-S227 WeakPolarHBondContact O-CB 3.47Å; S223-S227 PolarHBondContact O-N 2.92Å; S223-S227 PolarHBondContact O-OG 3.37Å; S223-S227 VanDerWaalsContact O-OG 3.07Å |
| 224 | S | 97 | Very high | 96.7 | Very high | 67 Ų | 67 | 98.7 Ų | 98.7 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | N220 Q221 L226 S227 Q228 | N220-S224 PolarHBondContact O-N 3.15Å; Q221-S224 WeakPolarHBondContact O-CB 3.31Å; Q221-S224 PolarHBondContact O-N 3.18Å; Q221-S224 VanDerWaalsContact O-N 3.13Å; S224-L226 VanDerWaalsContact C-N 3.29Å; S224-L226 PolarHBondContact O-N 3.36Å; S224-S227 PolarHBondContact O-N 3.46Å; S224-Q228 PolarHBondContact O-N 3.37Å |
| 225 | D | 97.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 99.3 Ų | 99.3 | 30% | 0.299 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 178.8 | -68.6 | 6.4 | 0 | 0 | 0 | 112.1 | Q221 K229 | Q221-D225 PolarHBondContact NE2-OD1 3.4Å; Q221-D225 PolarHBondContact O-N 2.89Å; D225-K229 WeakPolarHBondContact O-CD 3.07Å; D225-K229 WeakPolarHBondContact O-CG 3.46Å; D225-K229 PolarHBondContact O-N 3.02Å |
| 226 | L | 96.8 | Very high | 96.6 | Very high | 103 Ų | 103 | 99.3 Ų | 99.3 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.4 | -41 | 174.5 | -77.9 | 168.6 | 0 | 0 | 0 | 112.1 | M222 S223 S224 K229 L230 | M222-L226 WeakPolarHBondContact O-CB 3.49Å; M222-L226 VanDerWaalsContact O-CG 3.32Å; M222-L226 WeakPolarHBondContact O-CG 3.34Å; M222-L226 PolarHBondContact O-N 3.18Å; S223-L226 PolarHBondContact O-N 3.17Å; S224-L226 VanDerWaalsContact C-N 3.29Å; S224-L226 PolarHBondContact O-N 3.36Å; L226-K229 PolarHBondContact O-N 3.41Å; L226-L230 PolarHBondContact O-N 3.26Å |
| 227 | S | 96.6 | Very high | 96.5 | Very high | 63 Ų | 63 | 102 Ų | 102 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 174.7 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | S223 S224 K229 L230 E231 | S223-S227 WeakPolarHBondContact O-CB 3.47Å; S223-S227 PolarHBondContact O-N 2.92Å; S223-S227 PolarHBondContact O-OG 3.37Å; S223-S227 VanDerWaalsContact O-OG 3.07Å; S224-S227 PolarHBondContact O-N 3.46Å; S227-K229 PolarHBondContact O-N 2.68Å; S227-L230 WeakPolarHBondContact O-CB 3.21Å; S227-L230 PolarHBondContact O-N 3.41Å; S227-E231 PolarHBondContact O-N 2.72Å |
| 228 | Q | 97.3 | Very high | 96.4 | Very high | 108 Ų | 108 | 98.3 Ų | 98.3 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.4 | -175.4 | -175 | -28.2 | 0 | 0 | 111.7 | S224 L230 E231 E232 | S224-Q228 PolarHBondContact O-N 3.37Å; Q228-L230 VanDerWaalsContact C-N 3.29Å; Q228-L230 PolarHBondContact O-N 3.17Å; Q228-E231 PolarHBondContact O-N 2.95Å; Q228-E232 PolarHBondContact NE2-OE1 3.11Å; Q228-E232 WeakPolarHBondContact O-CG 3.49Å; Q228-E232 PolarHBondContact O-N 2.88Å |
| 229 | K | 97.2 | Very high | 96.4 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 175.6 | -74.7 | 167.1 | -176.1 | 163 | 0 | 112.3 | D225 L226 S227 E232 L233 | D225-K229 WeakPolarHBondContact O-CD 3.07Å; D225-K229 WeakPolarHBondContact O-CG 3.46Å; D225-K229 PolarHBondContact O-N 3.02Å; L226-K229 PolarHBondContact O-N 3.41Å; S227-K229 PolarHBondContact O-N 2.68Å; K229-E232 PolarHBondContact O-N 3.44Å; K229-L233 WeakPolarHBondContact O-CB 3.45Å; K229-L233 WeakPolarHBondContact O-CD1 3.45Å; K229-L233 PolarHBondContact O-N 3.49Å |
| 230 | L | 96 | Very high | 96.4 | Very high | 120 Ų | 120 | 98.2 Ų | 98.2 | 63% | 0.628 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -44.1 | 174.6 | -100.7 | 166.2 | 0 | 0 | 0 | 111.7 | L226 S227 Q228 L233 Q234 | L226-L230 PolarHBondContact O-N 3.26Å; S227-L230 WeakPolarHBondContact O-CB 3.21Å; S227-L230 PolarHBondContact O-N 3.41Å; Q228-L230 VanDerWaalsContact C-N 3.29Å; Q228-L230 PolarHBondContact O-N 3.17Å; L230-L233 PolarHBondContact O-N 3.11Å; L230-Q234 VanDerWaalsContact O-CB 3.32Å; L230-Q234 WeakPolarHBondContact O-CB 3.48Å; L230-Q234 PolarHBondContact O-N 3.19Å |
| 231 | E | 96.3 | Very high | 96.3 | Very high | 99 Ų | 99 | 98.1 Ų | 98.1 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 174 | -66 | -172 | 176.3 | 0 | 0 | 112.7 | S227 Q228 Q234 R235 | S227-E231 PolarHBondContact O-N 2.72Å; Q228-E231 PolarHBondContact O-N 2.95Å; E231-Q234 PolarHBondContact O-N 2.98Å; E231-R235 VanDerWaalsContact CB-NH1 3.31Å; E231-R235 VanDerWaalsContact O-CG 3.29Å; E231-R235 WeakPolarHBondContact O-CG 3.28Å; E231-R235 PolarHBondContact O-N 2.94Å; E231-R235 IonicContact OE2-CZ 2.62Å; E231-R235 IonicContact OE2-NH1 2.74Å; E231-R235 PolarHBondContact OE2-NH1 3.47Å; E231-R235 IonicContact OE2-NH2 3.16Å; E231-R235 PolarHBondContact OE2-NH2 3.18Å |
| 232 | E | 96.9 | Very high | 96.2 | Very high | 80 Ų | 80 | 99.6 Ų | 99.6 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 175.9 | -72.8 | 170 | -171.6 | 0 | 0 | 111.3 | Q228 K229 Q234 R235 H236 | Q228-E232 PolarHBondContact NE2-OE1 3.11Å; Q228-E232 WeakPolarHBondContact O-CG 3.49Å; Q228-E232 PolarHBondContact O-N 2.88Å; K229-E232 PolarHBondContact O-N 3.44Å; E232-Q234 PolarHBondContact O-N 3.5Å; E232-R235 PolarHBondContact O-N 3.39Å; E232-H236 PolarHBondContact O-CD2 3.22Å; E232-H236 PolarHBondContact O-N 3.44Å |
| 233 | L | 96.6 | Very high | 96.2 | Very high | 92 Ų | 92 | 99.4 Ų | 99.4 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 172.1 | -93 | 140.5 | 0 | 0 | 0 | 111.9 | K229 L230 H236 Y237 | K229-L233 WeakPolarHBondContact O-CB 3.45Å; K229-L233 WeakPolarHBondContact O-CD1 3.45Å; K229-L233 PolarHBondContact O-N 3.49Å; L230-L233 PolarHBondContact O-N 3.11Å; L233-H236 WeakPolarHBondContact O-CB 3.18Å; L233-H236 PolarHBondContact O-N 2.9Å; L233-Y237 HydrophobicContact CD2-CE2 3.98Å; L233-Y237 WeakPolarHBondContact O-CD2 3.28Å; L233-Y237 PolarHBondContact O-N 2.92Å |
| 234 | Q | 96.8 | Very high | 96.2 | Very high | 131 Ų | 131 | 101.9 Ų | 101.9 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -43 | 178.9 | -172.7 | 173.9 | -4.7 | 0 | 0 | 111.8 | L230 E231 E232 H236 Y237 S238 | L230-Q234 VanDerWaalsContact O-CB 3.32Å; L230-Q234 WeakPolarHBondContact O-CB 3.48Å; L230-Q234 PolarHBondContact O-N 3.19Å; E231-Q234 PolarHBondContact O-N 2.98Å; E232-Q234 PolarHBondContact O-N 3.5Å; Q234-H236 VanDerWaalsContact C-N 3.33Å; Q234-H236 PolarHBondContact O-N 3.36Å; Q234-Y237 PolarHBondContact O-N 3.07Å; Q234-S238 PolarHBondContact O-N 2.89Å; Q234-S238 PolarHBondContact O-OG 3.42Å |
| 235 | R | 96.2 | Very high | 96.1 | Very high | 137 Ų | 137 | 102.2 Ų | 102.2 | 52% | 0.517 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 172.6 | -71.2 | 171.4 | -171.6 | 111 | 7.7 | 111.3 | E231 E232 S238 T239 | E231-R235 VanDerWaalsContact CB-NH1 3.31Å; E231-R235 VanDerWaalsContact O-CG 3.29Å; E231-R235 WeakPolarHBondContact O-CG 3.28Å; E231-R235 PolarHBondContact O-N 2.94Å; E231-R235 IonicContact OE2-CZ 2.62Å; E231-R235 IonicContact OE2-NH1 2.74Å; E231-R235 PolarHBondContact OE2-NH1 3.47Å; E231-R235 IonicContact OE2-NH2 3.16Å; E231-R235 PolarHBondContact OE2-NH2 3.18Å; E232-R235 PolarHBondContact O-N 3.39Å; R235-S238 PolarHBondContact O-N 2.92Å; R235-T239 PolarHBondContact O-N 3.16Å; R235-T239 PolarHBondContact O-OG1 3.46Å |
| 236 | H | 96.3 | Very high | 96 | Very high | 126 Ų | 126 | 106.2 Ų | 106.2 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -41.7 | 175.5 | -74.6 | -54.6 | 0 | 0 | 0 | 113 | E232 L233 Q234 T239 L240 | E232-H236 PolarHBondContact O-CD2 3.22Å; E232-H236 PolarHBondContact O-N 3.44Å; L233-H236 WeakPolarHBondContact O-CB 3.18Å; L233-H236 PolarHBondContact O-N 2.9Å; Q234-H236 VanDerWaalsContact C-N 3.33Å; Q234-H236 PolarHBondContact O-N 3.36Å; H236-T239 PolarHBondContact O-N 3.12Å; H236-L240 WeakPolarHBondContact O-CB 3.19Å; H236-L240 WeakPolarHBondContact O-CG 3.22Å; H236-L240 PolarHBondContact O-N 2.87Å |
| 237 | Y | 94.6 | Very high | 96 | Very high | 156 Ų | 156 | 105.9 Ų | 105.9 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.7 | -45.8 | 174.7 | -82.2 | -66.3 | 0 | 0 | 0 | 111.8 | L233 Q234 T239 L240 E241 | L233-Y237 HydrophobicContact CD2-CE2 3.98Å; L233-Y237 WeakPolarHBondContact O-CD2 3.28Å; L233-Y237 PolarHBondContact O-N 2.92Å; Q234-Y237 PolarHBondContact O-N 3.07Å; Y237-T239 PolarHBondContact O-N 3.02Å; Y237-L240 PolarHBondContact O-N 2.85Å; Y237-E241 WeakPolarHBondContact O-CB 3.29Å; Y237-E241 PolarHBondContact O-N 3.07Å |
| 238 | S | 95.9 | Very high | 96 | Very high | 56 Ų | 56 | 107 Ų | 107 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | Q234 R235 L240 E241 E242 | Q234-S238 PolarHBondContact O-N 2.89Å; Q234-S238 PolarHBondContact O-OG 3.42Å; R235-S238 PolarHBondContact O-N 2.92Å; S238-L240 PolarHBondContact O-N 3.46Å; S238-E241 PolarHBondContact O-N 2.94Å; S238-E242 WeakPolarHBondContact O-CG 3.49Å; S238-E242 PolarHBondContact O-N 3.23Å |
| 239 | T | 96 | Very high | 95.8 | Very high | 64 Ų | 64 | 104.6 Ų | 104.6 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 175.7 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | R235 H236 Y237 E241 Q243 | R235-T239 PolarHBondContact O-N 3.16Å; R235-T239 PolarHBondContact O-OG1 3.46Å; H236-T239 PolarHBondContact O-N 3.12Å; Y237-T239 PolarHBondContact O-N 3.02Å; T239-E241 VanDerWaalsContact C-N 3.35Å; T239-Q243 VanDerWaalsContact O-CG 3.27Å; T239-Q243 WeakPolarHBondContact O-CG 3.45Å; T239-Q243 PolarHBondContact O-N 2.7Å |
| 240 | L | 95.5 | Very high | 95.7 | Very high | 103 Ų | 103 | 102.8 Ų | 102.8 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.9 | -33.8 | 175.6 | -75.9 | 169.3 | 0 | 0 | 0 | 112.2 | H236 Y237 S238 Q243 R244 | H236-L240 WeakPolarHBondContact O-CB 3.19Å; H236-L240 WeakPolarHBondContact O-CG 3.22Å; H236-L240 PolarHBondContact O-N 2.87Å; Y237-L240 PolarHBondContact O-N 2.85Å; S238-L240 PolarHBondContact O-N 3.46Å; L240-Q243 PolarHBondContact O-N 2.85Å; L240-R244 WeakPolarHBondContact O-CB 3.38Å; L240-R244 PolarHBondContact O-N 3.09Å |
| 241 | E | 95.1 | Very high | 95.7 | Very high | 93 Ų | 93 | 102.8 Ų | 102.8 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -47.2 | 174.1 | 177.5 | 143 | -115.6 | 0 | 0 | 111.6 | Y237 S238 T239 Q243 R244 D245 | Y237-E241 WeakPolarHBondContact O-CB 3.29Å; Y237-E241 PolarHBondContact O-N 3.07Å; S238-E241 PolarHBondContact O-N 2.94Å; T239-E241 VanDerWaalsContact C-N 3.35Å; E241-Q243 VanDerWaalsContact C-N 3.31Å; E241-Q243 PolarHBondContact O-N 2.99Å; E241-R244 WeakPolarHBondContact O-CB 3.27Å; E241-R244 PolarHBondContact O-N 2.92Å; E241-R244 IonicContact OE1-CZ 2.62Å; E241-R244 IonicContact OE1-NH1 3.9Å; E241-R244 PolarHBondContact OE1-NH1 3.39Å; E241-R244 IonicContact OE1-NH2 2.73Å; E241-R244 PolarHBondContact OE1-NH2 3.16Å; E241-D245 WeakPolarHBondContact O-CB 3.4Å; E241-D245 VanDerWaalsContact O-CG 3.31Å; E241-D245 PolarHBondContact O-N 3.21Å |
| 242 | E | 95.1 | Very high | 95.5 | Very high | 139 Ų | 139 | 101.1 Ų | 101.1 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.3 | -42.3 | 172.3 | -72.3 | 173.5 | -172.8 | 0 | 0 | 112.1 | S238 D245 H246 | S238-E242 WeakPolarHBondContact O-CG 3.49Å; S238-E242 PolarHBondContact O-N 3.23Å; E242-D245 PolarHBondContact O-N 3.32Å; E242-H246 WeakPolarHBondContact O-CB 3.33Å; E242-H246 PolarHBondContact O-N 3.47Å |
| 243 | Q | 95.6 | Very high | 95.4 | Very high | 113 Ų | 113 | 98.9 Ų | 98.9 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 175.3 | -74.4 | 174.6 | 14.2 | 0 | 0 | 112.3 | T239 L240 E241 D245 H246 V247 | T239-Q243 VanDerWaalsContact O-CG 3.27Å; T239-Q243 WeakPolarHBondContact O-CG 3.45Å; T239-Q243 PolarHBondContact O-N 2.7Å; L240-Q243 PolarHBondContact O-N 2.85Å; E241-Q243 VanDerWaalsContact C-N 3.31Å; E241-Q243 PolarHBondContact O-N 2.99Å; Q243-D245 VanDerWaalsContact C-N 3.33Å; Q243-D245 PolarHBondContact O-N 3.47Å; Q243-H246 PolarHBondContact O-N 3Å; Q243-V247 WeakPolarHBondContact O-CG2 3.45Å; Q243-V247 PolarHBondContact O-N 3.07Å |
| 244 | R | 95.3 | Very high | 95.3 | Very high | 119 Ų | 119 | 96.7 Ų | 96.7 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.9 | -48.2 | 175.2 | 179.6 | -159.2 | 71.3 | -153.5 | 0 | 110.4 | L240 E241 V247 I248 | L240-R244 WeakPolarHBondContact O-CB 3.38Å; L240-R244 PolarHBondContact O-N 3.09Å; E241-R244 WeakPolarHBondContact O-CB 3.27Å; E241-R244 PolarHBondContact O-N 2.92Å; E241-R244 IonicContact OE1-CZ 2.62Å; E241-R244 IonicContact OE1-NH1 3.9Å; E241-R244 PolarHBondContact OE1-NH1 3.39Å; E241-R244 IonicContact OE1-NH2 2.73Å; E241-R244 PolarHBondContact OE1-NH2 3.16Å; R244-V247 PolarHBondContact O-N 3.48Å; R244-I248 HydrophobicContact CG-CD1 3.86Å; R244-I248 WeakPolarHBondContact O-CG1 3.42Å; R244-I248 PolarHBondContact O-N 2.99Å |
| 245 | D | 95.4 | Very high | 95.2 | Very high | 74 Ų | 74 | 94.2 Ų | 94.2 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.6 | -35.4 | -176 | -68.2 | -7.1 | 0 | 0 | 0 | 111.6 | E241 E242 Q243 I248 A249 | E241-D245 WeakPolarHBondContact O-CB 3.4Å; E241-D245 VanDerWaalsContact O-CG 3.31Å; E241-D245 PolarHBondContact O-N 3.21Å; E242-D245 PolarHBondContact O-N 3.32Å; Q243-D245 VanDerWaalsContact C-N 3.33Å; Q243-D245 PolarHBondContact O-N 3.47Å; D245-I248 PolarHBondContact O-N 3.11Å; D245-A249 WeakPolarHBondContact O-CB 3.47Å; D245-A249 PolarHBondContact O-N 3.18Å |
| 246 | H | 95.6 | Very high | 95 | Very high | 141 Ų | 141 | 91.2 Ų | 91.2 | 65% | 0.653 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 169.9 | -171.7 | 73.6 | 0 | 0 | 0 | 112.4 | E242 Q243 A249 S250 | E242-H246 WeakPolarHBondContact O-CB 3.33Å; E242-H246 PolarHBondContact O-N 3.47Å; Q243-H246 PolarHBondContact O-N 3Å; H246-A249 PolarHBondContact O-N 2.82Å; H246-S250 WeakPolarHBondContact O-CB 3.33Å; H246-S250 PolarHBondContact O-N 3.27Å |
| 247 | V | 95.8 | Very high | 95 | Very high | 96 Ų | 96 | 92.4 Ų | 92.4 | 58% | 0.582 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -40.3 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | Q243 R244 S250 K251 | Q243-V247 WeakPolarHBondContact O-CG2 3.45Å; Q243-V247 PolarHBondContact O-N 3.07Å; R244-V247 PolarHBondContact O-N 3.48Å; V247-S250 PolarHBondContact O-N 2.96Å; V247-K251 VanDerWaalsContact O-CB 3.28Å; V247-K251 WeakPolarHBondContact O-CB 3.09Å; V247-K251 PolarHBondContact O-N 2.83Å |
| 248 | I | 95.8 | Very high | 95 | Very high | 85 Ų | 85 | 89.1 Ų | 89.1 | 44% | 0.436 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 175.1 | -69.4 | 167.8 | 0 | 0 | 0 | 110.8 | R244 D245 K251 T252 | R244-I248 HydrophobicContact CG-CD1 3.86Å; R244-I248 WeakPolarHBondContact O-CG1 3.42Å; R244-I248 PolarHBondContact O-N 2.99Å; D245-I248 PolarHBondContact O-N 3.11Å; I248-K251 PolarHBondContact O-N 2.9Å; I248-T252 HydrophobicContact CG2-CG2 4.4Å; I248-T252 WeakPolarHBondContact O-CB 3.41Å; I248-T252 WeakPolarHBondContact O-CG2 3.48Å; I248-T252 PolarHBondContact O-N 3.38Å; I248-T252 PolarHBondContact O-OG1 3.33Å |
| 249 | A | 94.8 | Very high | 94.9 | Very high | 58 Ų | 58 | 89.7 Ų | 89.7 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D245 H246 T252 G253 | D245-A249 WeakPolarHBondContact O-CB 3.47Å; D245-A249 PolarHBondContact O-N 3.18Å; H246-A249 PolarHBondContact O-N 2.82Å; A249-T252 WeakPolarHBondContact CA-OG1 3.31Å; A249-T252 PolarHBondContact O-OG1 3.18Å; A249-T252 VanDerWaalsContact O-OG1 3.13Å; A249-G253 PolarHBondContact O-N 3.37Å |
| 250 | S | 94.8 | Very high | 94.8 | Very high | 77 Ų | 77 | 88.9 Ų | 88.9 | 54% | 0.538 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | H246 V247 A254 | H246-S250 WeakPolarHBondContact O-CB 3.33Å; H246-S250 PolarHBondContact O-N 3.27Å; V247-S250 PolarHBondContact O-N 2.96Å; S250-A254 WeakPolarHBondContact O-CB 3.31Å; S250-A254 PolarHBondContact O-N 3.14Å |
| 251 | K | 94.9 | Very high | 94.7 | Very high | 119 Ų | 119 | 89.6 Ų | 89.6 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -51.4 | 178.6 | -179.4 | 175.3 | -178.5 | -80.9 | 0 | 111.2 | V247 I248 G253 A254 E255 | V247-K251 VanDerWaalsContact O-CB 3.28Å; V247-K251 WeakPolarHBondContact O-CB 3.09Å; V247-K251 PolarHBondContact O-N 2.83Å; I248-K251 PolarHBondContact O-N 2.9Å; K251-G253 VanDerWaalsContact C-N 3.3Å; K251-G253 PolarHBondContact O-N 3.42Å; K251-A254 CarbonylContact O-C 3.57Å; K251-A254 WeakPolarHBondContact O-CA 3.33Å; K251-A254 WeakPolarHBondContact O-CB 3.43Å; K251-A254 PolarHBondContact O-N 2.9Å; K251-E255 WeakPolarHBondContact CE-OE1 2.88Å; K251-E255 HydrophobicContact CG-CG 4.49Å; K251-E255 IonicContact NZ-OE1 2.72Å; K251-E255 PolarHBondContact NZ-OE1 2.86Å; K251-E255 IonicContact NZ-OE2 3.98Å; K251-E255 WeakPolarHBondContact O-CG 3.47Å; K251-E255 PolarHBondContact O-N 3.33Å |
| 252 | T | 93.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 89.7 Ų | 89.7 | 40% | 0.399 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -36.2 | 176.8 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | I248 A249 E255 S256 | I248-T252 HydrophobicContact CG2-CG2 4.4Å; I248-T252 WeakPolarHBondContact O-CB 3.41Å; I248-T252 WeakPolarHBondContact O-CG2 3.48Å; I248-T252 PolarHBondContact O-N 3.38Å; I248-T252 PolarHBondContact O-OG1 3.33Å; A249-T252 WeakPolarHBondContact CA-OG1 3.31Å; A249-T252 PolarHBondContact O-OG1 3.18Å; A249-T252 VanDerWaalsContact O-OG1 3.13Å; T252-E255 PolarHBondContact O-N 3.21Å; T252-S256 WeakPolarHBondContact O-CB 3.39Å; T252-S256 PolarHBondContact O-N 3.2Å; T252-S256 PolarHBondContact O-OG 3.24Å |
| 253 | G | 94.5 | Very high | 94.5 | Very high | 32 Ų | 32 | 88.7 Ų | 88.7 | 33% | 0.33 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -31.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A249 K251 K257 | A249-G253 PolarHBondContact O-N 3.37Å; K251-G253 VanDerWaalsContact C-N 3.3Å; K251-G253 PolarHBondContact O-N 3.42Å; G253-K257 WeakPolarHBondContact O-CG 3.19Å; G253-K257 PolarHBondContact O-N 3.46Å |
| 254 | A | 93.1 | Very high | 94.4 | Very high | 46 Ų | 46 | 88.5 Ų | 88.5 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.5 | -44 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S250 K251 S256 K257 I258 | S250-A254 WeakPolarHBondContact O-CB 3.31Å; S250-A254 PolarHBondContact O-N 3.14Å; K251-A254 CarbonylContact O-C 3.57Å; K251-A254 WeakPolarHBondContact O-CA 3.33Å; K251-A254 WeakPolarHBondContact O-CB 3.43Å; K251-A254 PolarHBondContact O-N 2.9Å; A254-S256 VanDerWaalsContact C-N 3.31Å; A254-S256 PolarHBondContact O-N 3.32Å; A254-K257 WeakPolarHBondContact O-CB 3.31Å; A254-K257 PolarHBondContact O-N 3.34Å; A254-K257 VanDerWaalsContact O-N 3.09Å; A254-I258 WeakPolarHBondContact O-CG1 3.42Å; A254-I258 PolarHBondContact O-N 3.13Å |
| 255 | E | 94.4 | Very high | 94.2 | Very high | 79 Ų | 79 | 88.8 Ų | 88.8 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 173.4 | -71.9 | 166.8 | 164.4 | 0 | 0 | 111 | K251 T252 K257 I258 T259 | K251-E255 WeakPolarHBondContact CE-OE1 2.88Å; K251-E255 HydrophobicContact CG-CG 4.49Å; K251-E255 IonicContact NZ-OE1 2.72Å; K251-E255 PolarHBondContact NZ-OE1 2.86Å; K251-E255 IonicContact NZ-OE2 3.98Å; K251-E255 WeakPolarHBondContact O-CG 3.47Å; K251-E255 PolarHBondContact O-N 3.33Å; T252-E255 PolarHBondContact O-N 3.21Å; E255-K257 VanDerWaalsContact C-N 3.29Å; E255-K257 PolarHBondContact O-N 2.93Å; E255-I258 WeakPolarHBondContact O-CB 3.34Å; E255-I258 PolarHBondContact O-N 3.29Å; E255-I258 VanDerWaalsContact O-N 3.13Å; E255-T259 PolarHBondContact O-N 3.34Å; E255-T259 PolarHBondContact O-OG1 2.83Å |
| 256 | S | 94 | Very high | 94.1 | Very high | 74 Ų | 74 | 91.7 Ų | 91.7 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -36.2 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 112.9 | T252 A254 T259 A260 | T252-S256 WeakPolarHBondContact O-CB 3.39Å; T252-S256 PolarHBondContact O-N 3.2Å; T252-S256 PolarHBondContact O-OG 3.24Å; A254-S256 VanDerWaalsContact C-N 3.31Å; A254-S256 PolarHBondContact O-N 3.32Å; S256-T259 WeakPolarHBondContact CA-OG1 3.47Å; S256-T259 PolarHBondContact O-OG1 3.03Å; S256-A260 WeakPolarHBondContact O-CB 3.31Å; S256-A260 PolarHBondContact O-N 3.03Å; S256-A260 VanDerWaalsContact O-N 3.13Å |
| 257 | K | 95.8 | Very high | 94 | Very high | 151 Ų | 151 | 89.5 Ų | 89.5 | 66% | 0.657 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -71.8 | -39.3 | 174.4 | -73.1 | 170.3 | -176.2 | 174.7 | 0 | 111.8 | G253 A254 E255 A260 L261 | G253-K257 WeakPolarHBondContact O-CG 3.19Å; G253-K257 PolarHBondContact O-N 3.46Å; A254-K257 WeakPolarHBondContact O-CB 3.31Å; A254-K257 PolarHBondContact O-N 3.34Å; A254-K257 VanDerWaalsContact O-N 3.09Å; E255-K257 VanDerWaalsContact C-N 3.29Å; E255-K257 PolarHBondContact O-N 2.93Å; K257-A260 PolarHBondContact O-N 2.96Å; K257-L261 VanDerWaalsContact O-CG 3.31Å; K257-L261 WeakPolarHBondContact O-CG 3.41Å; K257-L261 PolarHBondContact O-N 3.09Å |
| 258 | I | 93.9 | Very high | 93.9 | Very high | 88 Ų | 88 | 90 Ų | 90 | 45% | 0.451 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -51.3 | 175.4 | -68.9 | 164.3 | 0 | 0 | 0 | 109.3 | A254 E255 A260 L261 E262 | A254-I258 WeakPolarHBondContact O-CG1 3.42Å; A254-I258 PolarHBondContact O-N 3.13Å; E255-I258 WeakPolarHBondContact O-CB 3.34Å; E255-I258 PolarHBondContact O-N 3.29Å; E255-I258 VanDerWaalsContact O-N 3.13Å; I258-A260 VanDerWaalsContact C-N 3.27Å; I258-A260 PolarHBondContact O-N 3.42Å; I258-L261 CarbonylContact O-C 3.58Å; I258-L261 WeakPolarHBondContact O-CA 3.24Å; I258-L261 WeakPolarHBondContact O-CB 3.44Å; I258-L261 PolarHBondContact O-N 2.83Å; I258-E262 HydrophobicContact CG2-CG 4.25Å; I258-E262 WeakPolarHBondContact O-CG 3.28Å; I258-E262 PolarHBondContact O-N 3.31Å |
| 259 | T | 93.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 90.9 Ų | 90.9 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -34 | 178.2 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | E255 S256 Q263 | E255-T259 PolarHBondContact O-N 3.34Å; E255-T259 PolarHBondContact O-OG1 2.83Å; S256-T259 WeakPolarHBondContact CA-OG1 3.47Å; S256-T259 PolarHBondContact O-OG1 3.03Å; T259-Q263 WeakPolarHBondContact O-CB 3.45Å; T259-Q263 VanDerWaalsContact O-CG 3.28Å; T259-Q263 WeakPolarHBondContact O-CG 3.49Å; T259-Q263 PolarHBondContact O-N 3.08Å |
| 260 | A | 93.4 | Very high | 93.6 | Very high | 47 Ų | 47 | 90.7 Ų | 90.7 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.5 | -34 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S256 K257 I258 K264 | S256-A260 WeakPolarHBondContact O-CB 3.31Å; S256-A260 PolarHBondContact O-N 3.03Å; S256-A260 VanDerWaalsContact O-N 3.13Å; K257-A260 PolarHBondContact O-N 2.96Å; I258-A260 VanDerWaalsContact C-N 3.27Å; I258-A260 PolarHBondContact O-N 3.42Å; A260-K264 WeakPolarHBondContact O-CG 3.36Å; A260-K264 PolarHBondContact O-N 3.41Å; A260-K264 VanDerWaalsContact O-N 3.12Å |
| 261 | L | 93.6 | Very high | 93.5 | Very high | 119 Ų | 119 | 92.3 Ų | 92.3 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.6 | -41.2 | 173 | -71.8 | 170.3 | 0 | 0 | 0 | 111.6 | K257 I258 Q263 K264 E265 | K257-L261 VanDerWaalsContact O-CG 3.31Å; K257-L261 WeakPolarHBondContact O-CG 3.41Å; K257-L261 PolarHBondContact O-N 3.09Å; I258-L261 CarbonylContact O-C 3.58Å; I258-L261 WeakPolarHBondContact O-CA 3.24Å; I258-L261 WeakPolarHBondContact O-CB 3.44Å; I258-L261 PolarHBondContact O-N 2.83Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 3.14Å; L261-K264 CarbonylContact O-C 3.55Å; L261-K264 PolarHBondContact O-N 3.38Å; L261-K264 VanDerWaalsContact O-N 3.12Å; L261-E265 PolarHBondContact O-N 2.88Å |
| 262 | E | 93.8 | Very high | 93.3 | Very high | 95 Ų | 95 | 91.9 Ų | 91.9 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 173.4 | -70.3 | 170.8 | 164.2 | 0 | 0 | 111.5 | I258 E265 Q266 | I258-E262 HydrophobicContact CG2-CG 4.25Å; I258-E262 WeakPolarHBondContact O-CG 3.28Å; I258-E262 PolarHBondContact O-N 3.31Å; E262-E265 PolarHBondContact O-N 2.98Å; E262-Q266 VanDerWaalsContact O-CG 3.31Å; E262-Q266 WeakPolarHBondContact O-CG 3.43Å; E262-Q266 PolarHBondContact O-N 3.29Å |
| 263 | Q | 93.3 | Very high | 93.1 | Very high | 118 Ų | 118 | 94.6 Ų | 94.6 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 171.8 | -76.6 | 173.2 | 3.4 | 0 | 0 | 111.9 | T259 L261 Q266 E267 | T259-Q263 WeakPolarHBondContact O-CB 3.45Å; T259-Q263 VanDerWaalsContact O-CG 3.28Å; T259-Q263 WeakPolarHBondContact O-CG 3.49Å; T259-Q263 PolarHBondContact O-N 3.08Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 3.14Å; Q263-Q266 PolarHBondContact O-N 2.83Å; Q263-E267 WeakPolarHBondContact O-CG 3.38Å; Q263-E267 PolarHBondContact O-N 2.93Å |
| 264 | K | 93.6 | Very high | 93 | Very high | 108 Ų | 108 | 97.5 Ų | 97.5 | 47% | 0.47 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 176.2 | -73.4 | -72.9 | 165.8 | -130.2 | 0 | 112.7 | A260 L261 E267 L268 | A260-K264 WeakPolarHBondContact O-CG 3.36Å; A260-K264 PolarHBondContact O-N 3.41Å; A260-K264 VanDerWaalsContact O-N 3.12Å; L261-K264 CarbonylContact O-C 3.55Å; L261-K264 PolarHBondContact O-N 3.38Å; L261-K264 VanDerWaalsContact O-N 3.12Å; K264-E267 IonicContact NZ-OE1 3.95Å; K264-E267 PolarHBondContact NZ-OE1 2.89Å; K264-E267 IonicContact NZ-OE2 2.69Å; K264-E267 PolarHBondContact NZ-OE2 3.24Å; K264-E267 PolarHBondContact O-N 3.39Å; K264-L268 WeakPolarHBondContact O-CB 3.48Å; K264-L268 VanDerWaalsContact O-CG 3.28Å; K264-L268 WeakPolarHBondContact O-CG 3.5Å; K264-L268 PolarHBondContact O-N 2.96Å |
| 265 | E | 91.4 | Very high | 92.8 | Very high | 126 Ų | 126 | 101.5 Ų | 101.5 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | 171.4 | -174.1 | 177 | 178 | 0 | 0 | 110.7 | L261 E262 E267 L268 Q269 | L261-E265 PolarHBondContact O-N 2.88Å; E262-E265 PolarHBondContact O-N 2.98Å; E265-E267 PolarHBondContact O-N 3Å; E265-L268 PolarHBondContact O-N 3.04Å; E265-Q269 WeakPolarHBondContact O-CB 3.46Å; E265-Q269 PolarHBondContact O-N 3.47Å |
| 266 | Q | 92.4 | Very high | 92.7 | Very high | 134 Ų | 134 | 100.5 Ų | 100.5 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -41.7 | 175.5 | -71 | 172.2 | 20 | 0 | 0 | 112.9 | E262 Q263 Q269 A270 | E262-Q266 VanDerWaalsContact O-CG 3.31Å; E262-Q266 WeakPolarHBondContact O-CG 3.43Å; E262-Q266 PolarHBondContact O-N 3.29Å; Q263-Q266 PolarHBondContact O-N 2.83Å; Q266-Q269 WeakPolarHBondContact O-CB 3.21Å; Q266-Q269 PolarHBondContact O-N 2.97Å; Q266-A270 WeakPolarHBondContact O-CB 3.27Å; Q266-A270 PolarHBondContact O-N 3.34Å |
| 267 | E | 93.3 | Very high | 92.5 | Very high | 95 Ų | 95 | 101.3 Ų | 101.3 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 172.9 | -75.3 | 175.8 | -155.7 | 0 | 0 | 111.8 | Q263 K264 E265 A270 L271 | Q263-E267 WeakPolarHBondContact O-CG 3.38Å; Q263-E267 PolarHBondContact O-N 2.93Å; K264-E267 IonicContact NZ-OE1 3.95Å; K264-E267 PolarHBondContact NZ-OE1 2.89Å; K264-E267 IonicContact NZ-OE2 2.69Å; K264-E267 PolarHBondContact NZ-OE2 3.24Å; K264-E267 PolarHBondContact O-N 3.39Å; E265-E267 PolarHBondContact O-N 3Å; E267-A270 PolarHBondContact O-N 3.3Å; E267-L271 WeakPolarHBondContact O-CG 3.47Å; E267-L271 PolarHBondContact O-N 2.99Å |
| 268 | L | 92.9 | Very high | 92.1 | Very high | 106 Ų | 106 | 97.5 Ų | 97.5 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66 | -40.2 | 176.7 | -72.8 | 169.5 | 0 | 0 | 0 | 111.8 | K264 E265 A270 L271 I272 | K264-L268 WeakPolarHBondContact O-CB 3.48Å; K264-L268 VanDerWaalsContact O-CG 3.28Å; K264-L268 WeakPolarHBondContact O-CG 3.5Å; K264-L268 PolarHBondContact O-N 2.96Å; E265-L268 PolarHBondContact O-N 3.04Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.19Å; L268-L271 HydrophobicContact CD2-CD1 4.49Å; L268-L271 PolarHBondContact O-N 3.32Å; L268-I272 VanDerWaalsContact O-CG1 3.27Å; L268-I272 WeakPolarHBondContact O-CG1 3.38Å; L268-I272 PolarHBondContact O-N 3.12Å |
| 269 | Q | 93.4 | Very high | 91.8 | Very high | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 175.1 | -160.4 | 84.2 | -20 | 0 | 0 | 110.8 | E265 Q266 I272 Q273 | E265-Q269 WeakPolarHBondContact O-CB 3.46Å; E265-Q269 PolarHBondContact O-N 3.47Å; Q266-Q269 WeakPolarHBondContact O-CB 3.21Å; Q266-Q269 PolarHBondContact O-N 2.97Å; Q269-I272 PolarHBondContact O-N 3.3Å; Q269-Q273 WeakPolarHBondContact O-CG 3.43Å; Q269-Q273 PolarHBondContact O-N 3.37Å |
| 270 | A | 91.8 | Very high | 91.5 | Very high | 53 Ų | 53 | 101.9 Ų | 101.9 | 44% | 0.438 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q266 E267 L268 Q273 Q274 | Q266-A270 WeakPolarHBondContact O-CB 3.27Å; Q266-A270 PolarHBondContact O-N 3.34Å; E267-A270 PolarHBondContact O-N 3.3Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.19Å; A270-Q273 PolarHBondContact O-N 3.35Å; A270-Q274 WeakPolarHBondContact O-CB 3.18Å; A270-Q274 PolarHBondContact O-N 2.89Å |
| 271 | L | 92.9 | Very high | 91.2 | Very high | 112 Ų | 112 | 105.4 Ų | 105.4 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -40.9 | 172.9 | -77.9 | 166.1 | 0 | 0 | 0 | 112.1 | E267 L268 Q274 L275 | E267-L271 WeakPolarHBondContact O-CG 3.47Å; E267-L271 PolarHBondContact O-N 2.99Å; L268-L271 HydrophobicContact CD2-CD1 4.49Å; L268-L271 PolarHBondContact O-N 3.32Å; L271-Q274 PolarHBondContact O-N 2.79Å; L271-L275 WeakPolarHBondContact O-CB 3.35Å; L271-L275 PolarHBondContact O-N 2.95Å |
| 272 | I | 90.3 | Very high | 90.8 | Very high | 109 Ų | 109 | 103.6 Ų | 103.6 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -42.8 | 175.5 | -69.7 | 163.2 | 0 | 0 | 0 | 110.8 | L268 Q269 L275 S276 | L268-I272 VanDerWaalsContact O-CG1 3.27Å; L268-I272 WeakPolarHBondContact O-CG1 3.38Å; L268-I272 PolarHBondContact O-N 3.12Å; Q269-I272 PolarHBondContact O-N 3.3Å; I272-L275 PolarHBondContact O-N 3.49Å; I272-S276 VanDerWaalsContact O-CB 3.31Å; I272-S276 WeakPolarHBondContact O-CB 3.31Å; I272-S276 PolarHBondContact O-N 3.38Å |
| 273 | Q | 90.4 | Very high | 90.2 | Very high | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -45.4 | 175.1 | -73.7 | 176.8 | 12.6 | 0 | 0 | 111.6 | Q269 A270 S276 I277 | Q269-Q273 WeakPolarHBondContact O-CG 3.43Å; Q269-Q273 PolarHBondContact O-N 3.37Å; A270-Q273 PolarHBondContact O-N 3.35Å; Q273-S276 WeakPolarHBondContact O-CB 3.3Å; Q273-S276 PolarHBondContact O-N 3.39Å; Q273-I277 WeakPolarHBondContact O-CG1 3.45Å; Q273-I277 PolarHBondContact O-N 2.87Å |
| 274 | Q | 91.8 | Very high | 89.7 | Confident | 94 Ų | 94 | 100 Ų | 100 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 176 | -176.9 | 57.6 | 49.4 | 0 | 0 | 111.5 | A270 L271 S276 I277 D278 | A270-Q274 WeakPolarHBondContact O-CB 3.18Å; A270-Q274 PolarHBondContact O-N 2.89Å; L271-Q274 PolarHBondContact O-N 2.79Å; Q274-S276 VanDerWaalsContact C-N 3.25Å; Q274-S276 PolarHBondContact O-N 2.94Å; Q274-I277 WeakPolarHBondContact O-CB 3.19Å; Q274-I277 PolarHBondContact O-N 2.92Å; Q274-I277 VanDerWaalsContact O-N 3.15Å; Q274-D278 VanDerWaalsContact NE2-CG 3.33Å; Q274-D278 PolarHBondContact NE2-OD1 3.25Å; Q274-D278 PolarHBondContact NE2-OD2 2.98Å; Q274-D278 VanDerWaalsContact NE2-OD2 3.13Å; Q274-D278 VanDerWaalsContact O-CG 3.32Å; Q274-D278 PolarHBondContact O-N 3.3Å |
| 275 | L | 89.4 | Confident | 89.1 | Confident | 129 Ų | 129 | 98.4 Ų | 98.4 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.8 | -34.5 | 177.2 | -157.4 | 94.8 | 0 | 0 | 0 | 112 | L271 I272 L279 | L271-L275 WeakPolarHBondContact O-CB 3.35Å; L271-L275 PolarHBondContact O-N 2.95Å; I272-L275 PolarHBondContact O-N 3.49Å; L275-L279 VanDerWaalsContact O-CB 3.29Å; L275-L279 WeakPolarHBondContact O-CB 3.42Å; L275-L279 PolarHBondContact O-N 2.93Å |
| 276 | S | 90.8 | Very high | 88.5 | Confident | 58 Ų | 58 | 95.9 Ų | 95.9 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 175.2 | -167.8 | 0 | 0 | 0 | 0 | 111.9 | I272 Q273 Q274 L279 Q280 | I272-S276 VanDerWaalsContact O-CB 3.31Å; I272-S276 WeakPolarHBondContact O-CB 3.31Å; I272-S276 PolarHBondContact O-N 3.38Å; Q273-S276 WeakPolarHBondContact O-CB 3.3Å; Q273-S276 PolarHBondContact O-N 3.39Å; Q274-S276 VanDerWaalsContact C-N 3.25Å; Q274-S276 PolarHBondContact O-N 2.94Å; S276-L279 PolarHBondContact O-N 2.88Å; S276-Q280 WeakPolarHBondContact O-CB 3.33Å; S276-Q280 WeakPolarHBondContact O-CG 3.48Å; S276-Q280 PolarHBondContact O-N 2.93Å |
| 277 | I | 90.5 | Very high | 87.9 | Confident | 92 Ų | 92 | 94.6 Ų | 94.6 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 172.7 | -68.2 | 162.7 | 0 | 0 | 0 | 110.5 | Q273 Q274 L279 Q280 K281 | Q273-I277 WeakPolarHBondContact O-CG1 3.45Å; Q273-I277 PolarHBondContact O-N 2.87Å; Q274-I277 WeakPolarHBondContact O-CB 3.19Å; Q274-I277 PolarHBondContact O-N 2.92Å; Q274-I277 VanDerWaalsContact O-N 3.15Å; I277-L279 VanDerWaalsContact C-N 3.33Å; I277-L279 PolarHBondContact O-N 3.37Å; I277-Q280 PolarHBondContact O-N 3.41Å; I277-K281 WeakPolarHBondContact O-CB 3.37Å; I277-K281 PolarHBondContact O-N 3.33Å |
| 278 | D | 87.4 | Confident | 87.2 | Confident | 71 Ų | 71 | 95.8 Ų | 95.8 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 178.3 | -67.8 | -30.5 | 0 | 0 | 0 | 111.3 | Q274 K281 V282 | Q274-D278 VanDerWaalsContact NE2-CG 3.33Å; Q274-D278 PolarHBondContact NE2-OD1 3.25Å; Q274-D278 PolarHBondContact NE2-OD2 2.98Å; Q274-D278 VanDerWaalsContact NE2-OD2 3.13Å; Q274-D278 VanDerWaalsContact O-CG 3.32Å; Q274-D278 PolarHBondContact O-N 3.3Å; D278-K281 PolarHBondContact O-N 2.75Å; D278-V282 WeakPolarHBondContact O-CG2 3.37Å; D278-V282 PolarHBondContact O-N 3.36Å |
| 279 | L | 88.4 | Confident | 86.5 | Confident | 119 Ų | 119 | 96.7 Ų | 96.7 | 62% | 0.623 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -47.2 | 172.8 | -169 | 77.5 | 0 | 0 | 0 | 111.4 | L275 S276 I277 K281 V282 T283 | L275-L279 VanDerWaalsContact O-CB 3.29Å; L275-L279 WeakPolarHBondContact O-CB 3.42Å; L275-L279 PolarHBondContact O-N 2.93Å; S276-L279 PolarHBondContact O-N 2.88Å; I277-L279 VanDerWaalsContact C-N 3.33Å; I277-L279 PolarHBondContact O-N 3.37Å; L279-K281 VanDerWaalsContact C-N 3.31Å; L279-K281 PolarHBondContact O-N 3.4Å; L279-V282 PolarHBondContact O-N 2.96Å; L279-T283 WeakPolarHBondContact O-CG2 3.32Å; L279-T283 PolarHBondContact O-N 2.86Å; L279-T283 PolarHBondContact O-OG1 2.83Å |
| 280 | Q | 85.9 | Confident | 85.8 | Confident | 128 Ų | 128 | 97 Ų | 97 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.1 | -44.1 | 175.2 | -77.1 | -179.1 | 0.7 | 0 | 0 | 111.5 | S276 I277 T283 A284 | S276-Q280 WeakPolarHBondContact O-CB 3.33Å; S276-Q280 WeakPolarHBondContact O-CG 3.48Å; S276-Q280 PolarHBondContact O-N 2.93Å; I277-Q280 PolarHBondContact O-N 3.41Å; Q280-T283 WeakPolarHBondContact CA-OG1 3.4Å; Q280-T283 PolarHBondContact O-N 3.34Å; Q280-T283 PolarHBondContact O-OG1 3.37Å; Q280-A284 PolarHBondContact O-N 3.32Å |
| 281 | K | 88.9 | Confident | 85.2 | Confident | 120 Ų | 120 | 98.4 Ų | 98.4 | 52% | 0.522 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 176.4 | -172.7 | 179 | -177.8 | -90.3 | 0 | 111.6 | I277 D278 L279 T283 A284 E285 | I277-K281 WeakPolarHBondContact O-CB 3.37Å; I277-K281 PolarHBondContact O-N 3.33Å; D278-K281 PolarHBondContact O-N 2.75Å; L279-K281 VanDerWaalsContact C-N 3.31Å; L279-K281 PolarHBondContact O-N 3.4Å; K281-T283 VanDerWaalsContact C-N 3.33Å; K281-T283 PolarHBondContact O-N 2.88Å; K281-A284 PolarHBondContact O-N 2.94Å; K281-E285 IonicContact NZ-OE1 3.41Å; K281-E285 PolarHBondContact NZ-OE1 3.36Å; K281-E285 WeakPolarHBondContact O-CG 3.44Å; K281-E285 PolarHBondContact O-N 3.06Å |
| 282 | V | 84.1 | Confident | 84.5 | Confident | 81 Ų | 81 | 97.2 Ų | 97.2 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 175.9 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | D278 L279 A284 E285 T286 | D278-V282 WeakPolarHBondContact O-CG2 3.37Å; D278-V282 PolarHBondContact O-N 3.36Å; L279-V282 PolarHBondContact O-N 2.96Å; V282-A284 VanDerWaalsContact C-N 3.33Å; V282-A284 PolarHBondContact O-N 3.4Å; V282-E285 PolarHBondContact O-N 3.1Å; V282-T286 PolarHBondContact O-N 3.2Å; V282-T286 PolarHBondContact O-OG1 3.02Å; V282-T286 VanDerWaalsContact O-OG1 3.1Å |
| 283 | T | 80.7 | Confident | 83.6 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 175.7 | 53.6 | 0 | 0 | 0 | 0 | 112.7 | L279 Q280 K281 T286 Q287 | L279-T283 WeakPolarHBondContact O-CG2 3.32Å; L279-T283 PolarHBondContact O-N 2.86Å; L279-T283 PolarHBondContact O-OG1 2.83Å; Q280-T283 WeakPolarHBondContact CA-OG1 3.4Å; Q280-T283 PolarHBondContact O-N 3.34Å; Q280-T283 PolarHBondContact O-OG1 3.37Å; K281-T283 VanDerWaalsContact C-N 3.33Å; K281-T283 PolarHBondContact O-N 2.88Å; T283-T286 VanDerWaalsContact CA-OG1 3.29Å; T283-T286 WeakPolarHBondContact CA-OG1 3.23Å; T283-T286 PolarHBondContact O-N 3.25Å; T283-T286 PolarHBondContact O-OG1 2.91Å; T283-Q287 PolarHBondContact O-N 3.45Å |
| 284 | A | 82.4 | Confident | 82.8 | Confident | 59 Ų | 59 | 93.9 Ų | 93.9 | 49% | 0.488 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q280 K281 V282 T286 Q287 E288 | Q280-A284 PolarHBondContact O-N 3.32Å; K281-A284 PolarHBondContact O-N 2.94Å; V282-A284 VanDerWaalsContact C-N 3.33Å; V282-A284 PolarHBondContact O-N 3.4Å; A284-T286 VanDerWaalsContact C-N 3.31Å; A284-T286 PolarHBondContact O-N 2.9Å; A284-Q287 PolarHBondContact O-N 3.24Å; A284-E288 WeakPolarHBondContact O-CB 3.38Å; A284-E288 PolarHBondContact O-N 2.87Å |
| 285 | E | 82.4 | Confident | 81.6 | Confident | 73 Ų | 73 | 95 Ų | 95 | 34% | 0.341 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -32.4 | 174.4 | -73.1 | -179.6 | -160 | 0 | 0 | 112.6 | K281 V282 K289 | K281-E285 IonicContact NZ-OE1 3.41Å; K281-E285 PolarHBondContact NZ-OE1 3.36Å; K281-E285 WeakPolarHBondContact O-CG 3.44Å; K281-E285 PolarHBondContact O-N 3.06Å; V282-E285 PolarHBondContact O-N 3.1Å; E285-K289 WeakPolarHBondContact O-CD 3.27Å; E285-K289 VanDerWaalsContact O-CG 3.31Å; E285-K289 WeakPolarHBondContact O-CG 3.49Å; E285-K289 PolarHBondContact O-N 2.96Å |
| 286 | T | 77.4 | Confident | 80.6 | Confident | 74 Ų | 74 | 93.5 Ų | 93.5 | 45% | 0.454 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.3 | -40.7 | 170.6 | 44.4 | 0 | 0 | 0 | 0 | 112 | V282 T283 A284 K289 E290 | V282-T286 PolarHBondContact O-N 3.2Å; V282-T286 PolarHBondContact O-OG1 3.02Å; V282-T286 VanDerWaalsContact O-OG1 3.1Å; T283-T286 VanDerWaalsContact CA-OG1 3.29Å; T283-T286 WeakPolarHBondContact CA-OG1 3.23Å; T283-T286 PolarHBondContact O-N 3.25Å; T283-T286 PolarHBondContact O-OG1 2.91Å; A284-T286 VanDerWaalsContact C-N 3.31Å; A284-T286 PolarHBondContact O-N 2.9Å; T286-K289 PolarHBondContact O-N 3.2Å; T286-E290 PolarHBondContact O-N 3.42Å |
| 287 | Q | 80.1 | Confident | 79.1 | Confident | 106 Ų | 106 | 96.6 Ų | 96.6 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 176.4 | -173.2 | 61.8 | 51.3 | 0 | 0 | 111.6 | T283 A284 K289 E290 D291 | T283-Q287 PolarHBondContact O-N 3.45Å; A284-Q287 PolarHBondContact O-N 3.24Å; Q287-K289 VanDerWaalsContact C-N 3.27Å; Q287-K289 PolarHBondContact O-N 2.74Å; Q287-E290 VanDerWaalsContact O-CB 3.32Å; Q287-E290 WeakPolarHBondContact O-CB 3.45Å; Q287-E290 PolarHBondContact O-N 3.4Å; Q287-E290 VanDerWaalsContact O-N 3.12Å; Q287-D291 PolarHBondContact NE2-OD1 3.3Å; Q287-D291 VanDerWaalsContact O-CG 3.24Å; Q287-D291 PolarHBondContact O-N 3.28Å |
| 288 | E | 79.4 | Confident | 77.8 | Confident | 121 Ų | 121 | 98.1 Ų | 98.1 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.7 | -38.1 | 174.1 | -173.9 | -178.1 | -174.9 | 0 | 0 | 111.5 | A284 D291 I292 | A284-E288 WeakPolarHBondContact O-CB 3.38Å; A284-E288 PolarHBondContact O-N 2.87Å; E288-D291 PolarHBondContact O-N 2.86Å; E288-I292 HydrophobicContact CG-CD1 4.27Å; E288-I292 WeakPolarHBondContact O-CB 3.43Å; E288-I292 WeakPolarHBondContact O-CD1 3.4Å; E288-I292 WeakPolarHBondContact O-CG1 3.46Å; E288-I292 PolarHBondContact O-N 2.81Å |
| 289 | K | 78.6 | Confident | 76.4 | Confident | 125 Ų | 125 | 100.2 Ų | 100.2 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -35.8 | 174.1 | -73.7 | 168.9 | -173.9 | 161.7 | 0 | 112.7 | E285 T286 Q287 I292 I293 | E285-K289 WeakPolarHBondContact O-CD 3.27Å; E285-K289 VanDerWaalsContact O-CG 3.31Å; E285-K289 WeakPolarHBondContact O-CG 3.49Å; E285-K289 PolarHBondContact O-N 2.96Å; T286-K289 PolarHBondContact O-N 3.2Å; Q287-K289 VanDerWaalsContact C-N 3.27Å; Q287-K289 PolarHBondContact O-N 2.74Å; K289-I292 PolarHBondContact O-N 3.2Å; K289-I293 VanDerWaalsContact O-CG1 3.29Å; K289-I293 WeakPolarHBondContact O-CG1 3.38Å; K289-I293 PolarHBondContact O-N 2.8Å |
| 290 | E | 77.8 | Confident | 74.9 | Confident | 110 Ų | 110 | 98.7 Ų | 98.7 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 172.1 | -148.7 | 77.6 | -145.9 | 0 | 0 | 110.3 | T286 Q287 I292 I293 I294 | T286-E290 PolarHBondContact O-N 3.42Å; Q287-E290 VanDerWaalsContact O-CB 3.32Å; Q287-E290 WeakPolarHBondContact O-CB 3.45Å; Q287-E290 PolarHBondContact O-N 3.4Å; Q287-E290 VanDerWaalsContact O-N 3.12Å; E290-I292 VanDerWaalsContact C-N 3.34Å; E290-I292 PolarHBondContact O-N 2.8Å; E290-I293 WeakPolarHBondContact O-CA 3.35Å; E290-I293 WeakPolarHBondContact O-CB 3.37Å; E290-I293 PolarHBondContact O-N 3.36Å; E290-I294 WeakPolarHBondContact O-CG1 3.43Å; E290-I294 PolarHBondContact O-N 3.39Å |
| 291 | D | 78.8 | Confident | 73.3 | Confident | 84 Ų | 84 | 95.2 Ų | 95.2 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 176.8 | -64.4 | -10.2 | 0 | 0 | 0 | 111.7 | Q287 E288 I294 H295 | Q287-D291 PolarHBondContact NE2-OD1 3.3Å; Q287-D291 VanDerWaalsContact O-CG 3.24Å; Q287-D291 PolarHBondContact O-N 3.28Å; E288-D291 PolarHBondContact O-N 2.86Å; D291-I294 PolarHBondContact O-N 3.48Å; D291-H295 WeakPolarHBondContact O-CB 3.41Å; D291-H295 PolarHBondContact O-N 3.46Å |
| 292 | I | 78.4 | Confident | 71.5 | Confident | 87 Ų | 87 | 92.2 Ų | 92.2 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 171.5 | -71.4 | 162.9 | 0 | 0 | 0 | 111.5 | E288 K289 E290 H295 L296 | E288-I292 HydrophobicContact CG-CD1 4.27Å; E288-I292 WeakPolarHBondContact O-CB 3.43Å; E288-I292 WeakPolarHBondContact O-CD1 3.4Å; E288-I292 WeakPolarHBondContact O-CG1 3.46Å; E288-I292 PolarHBondContact O-N 2.81Å; K289-I292 PolarHBondContact O-N 3.2Å; E290-I292 VanDerWaalsContact C-N 3.34Å; E290-I292 PolarHBondContact O-N 2.8Å; I292-H295 PolarHBondContact O-N 2.94Å; I292-L296 HydrophobicContact CG2-CD1 4.07Å; I292-L296 HydrophobicContact CG2-CG 4.49Å; I292-L296 WeakPolarHBondContact O-CB 3.46Å; I292-L296 VanDerWaalsContact O-CG 3.29Å; I292-L296 WeakPolarHBondContact O-CG 3.41Å; I292-L296 PolarHBondContact O-N 3.27Å |
| 293 | I | 71.9 | Confident | 69.9 | Low | 80 Ų | 80 | 94.6 Ų | 94.6 | 41% | 0.41 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 174.6 | -71.1 | 162.3 | 0 | 0 | 0 | 110.3 | K289 E290 L296 Q297 | K289-I293 VanDerWaalsContact O-CG1 3.29Å; K289-I293 WeakPolarHBondContact O-CG1 3.38Å; K289-I293 PolarHBondContact O-N 2.8Å; E290-I293 WeakPolarHBondContact O-CA 3.35Å; E290-I293 WeakPolarHBondContact O-CB 3.37Å; E290-I293 PolarHBondContact O-N 3.36Å; I293-L296 PolarHBondContact O-N 3.08Å; I293-Q297 WeakPolarHBondContact O-CG 3.48Å; I293-Q297 PolarHBondContact O-N 3.22Å |
| 294 | I | 72.8 | Confident | 68.2 | Low | 81 Ų | 81 | 98.6 Ų | 98.6 | 42% | 0.415 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 173.4 | -65.8 | 166.8 | 0 | 0 | 0 | 110.1 | E290 D291 L296 Q297 E298 | E290-I294 WeakPolarHBondContact O-CG1 3.43Å; E290-I294 PolarHBondContact O-N 3.39Å; D291-I294 PolarHBondContact O-N 3.48Å; I294-L296 VanDerWaalsContact C-N 3.29Å; I294-L296 PolarHBondContact O-N 3.33Å; I294-Q297 WeakPolarHBondContact O-CB 3.45Å; I294-Q297 PolarHBondContact O-N 2.89Å; I294-Q297 VanDerWaalsContact O-N 3.09Å; I294-E298 PolarHBondContact O-N 2.92Å |
| 295 | H | 68.5 | Low | 66.3 | Low | 116 Ų | 116 | 104.9 Ų | 104.9 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 176.8 | -172.3 | -20.5 | 0 | 0 | 0 | 111.6 | D291 I292 E298 K299 | D291-H295 WeakPolarHBondContact O-CB 3.41Å; D291-H295 PolarHBondContact O-N 3.46Å; I292-H295 PolarHBondContact O-N 2.94Å; H295-E298 PolarHBondContact O-N 2.88Å; H295-K299 VanDerWaalsContact O-CB 3.24Å; H295-K299 WeakPolarHBondContact O-CB 3.33Å; H295-K299 PolarHBondContact O-N 3.46Å |
| 296 | L | 67.8 | Low | 64.5 | Low | 98 Ų | 98 | 111.9 Ų | 111.9 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68 | -36.2 | 175.7 | -74.2 | 169.3 | 0 | 0 | 0 | 112.3 | I292 I293 I294 K299 V300 | I292-L296 HydrophobicContact CG2-CD1 4.07Å; I292-L296 HydrophobicContact CG2-CG 4.49Å; I292-L296 WeakPolarHBondContact O-CB 3.46Å; I292-L296 VanDerWaalsContact O-CG 3.29Å; I292-L296 WeakPolarHBondContact O-CG 3.41Å; I292-L296 PolarHBondContact O-N 3.27Å; I293-L296 PolarHBondContact O-N 3.08Å; I294-L296 VanDerWaalsContact C-N 3.29Å; I294-L296 PolarHBondContact O-N 3.33Å; L296-K299 PolarHBondContact O-N 3.19Å; L296-V300 WeakPolarHBondContact O-CG2 3.32Å; L296-V300 PolarHBondContact O-N 3.4Å |
| 297 | Q | 60 | Low | 62.6 | Low | 123 Ų | 123 | 116.2 Ų | 116.2 | 58% | 0.575 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.7 | -43.9 | 172.7 | -69.6 | 170.1 | 3.3 | 0 | 0 | 111.6 | I293 I294 K299 V300 A301 | I293-Q297 WeakPolarHBondContact O-CG 3.48Å; I293-Q297 PolarHBondContact O-N 3.22Å; I294-Q297 WeakPolarHBondContact O-CB 3.45Å; I294-Q297 PolarHBondContact O-N 2.89Å; I294-Q297 VanDerWaalsContact O-N 3.09Å; Q297-K299 VanDerWaalsContact C-N 3.28Å; Q297-K299 PolarHBondContact O-N 3.45Å; Q297-V300 PolarHBondContact O-N 2.99Å; Q297-A301 PolarHBondContact O-N 3.36Å |
| 298 | E | 62.4 | Low | 60.3 | Low | 125 Ų | 125 | 119.7 Ų | 119.7 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.6 | -31.5 | 172.4 | -69.1 | -173 | 153.4 | 0 | 0 | 112.6 | I294 H295 A301 S302 | I294-E298 PolarHBondContact O-N 2.92Å; H295-E298 PolarHBondContact O-N 2.88Å; E298-A301 PolarHBondContact O-N 2.81Å; E298-S302 VanDerWaalsContact O-CB 3.29Å; E298-S302 WeakPolarHBondContact O-CB 3.47Å; E298-S302 PolarHBondContact O-N 2.92Å; E298-S302 PolarHBondContact O-OG 3.37Å |
| 299 | K | 58.3 | Low | 57.9 | Low | 114 Ų | 114 | 122.4 Ų | 122.4 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.4 | -33.7 | 176.2 | -157.1 | 169.3 | -172 | 174.5 | 0 | 112 | H295 L296 Q297 S302 L303 | H295-K299 VanDerWaalsContact O-CB 3.24Å; H295-K299 WeakPolarHBondContact O-CB 3.33Å; H295-K299 PolarHBondContact O-N 3.46Å; L296-K299 PolarHBondContact O-N 3.19Å; Q297-K299 VanDerWaalsContact C-N 3.28Å; Q297-K299 PolarHBondContact O-N 3.45Å; K299-S302 WeakPolarHBondContact CA-OG 3.45Å; K299-S302 PolarHBondContact O-OG 2.78Å; K299-L303 WeakPolarHBondContact O-CB 3.4Å; K299-L303 WeakPolarHBondContact O-CD1 3.49Å; K299-L303 WeakPolarHBondContact O-CG 3.47Å; K299-L303 PolarHBondContact O-N 2.96Å |
| 300 | V | 55.7 | Low | 55.7 | Low | 87 Ų | 87 | 123.2 Ų | 123.2 | 53% | 0.527 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.4 | -50.9 | 168.7 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | L296 Q297 S302 L303 E304 | L296-V300 WeakPolarHBondContact O-CG2 3.32Å; L296-V300 PolarHBondContact O-N 3.4Å; Q297-V300 PolarHBondContact O-N 2.99Å; V300-S302 PolarHBondContact O-N 3.23Å; V300-L303 PolarHBondContact O-N 2.84Å; V300-L303 VanDerWaalsContact O-N 3.17Å; V300-E304 PolarHBondContact O-N 3.01Å; V300-E304 VanDerWaalsContact O-N 3.16Å |
| 301 | A | 53 | Low | 53.6 | Low | 56 Ų | 56 | 125.5 Ų | 125.5 | 46% | 0.463 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.5 | -25.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q297 E298 | Q297-A301 PolarHBondContact O-N 3.36Å; E298-A301 PolarHBondContact O-N 2.81Å |
| 302 | S | 50.2 | Low | 51.5 | Low | 57 Ų | 57 | 127 Ų | 127 | 40% | 0.399 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -91.1 | -21.9 | 176.4 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | E298 K299 V300 K305 | E298-S302 VanDerWaalsContact O-CB 3.29Å; E298-S302 WeakPolarHBondContact O-CB 3.47Å; E298-S302 PolarHBondContact O-N 2.92Å; E298-S302 PolarHBondContact O-OG 3.37Å; K299-S302 WeakPolarHBondContact CA-OG 3.45Å; K299-S302 PolarHBondContact O-OG 2.78Å; V300-S302 PolarHBondContact O-N 3.23Å; S302-K305 PolarHBondContact O-N 3.27Å |
| 303 | L | 51.9 | Low | 49.4 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.2 | -31.4 | 168.7 | -76.6 | 168.9 | 0 | 0 | 0 | 112 | K299 V300 K305 | K299-L303 WeakPolarHBondContact O-CB 3.4Å; K299-L303 WeakPolarHBondContact O-CD1 3.49Å; K299-L303 WeakPolarHBondContact O-CG 3.47Å; K299-L303 PolarHBondContact O-N 2.96Å; V300-L303 PolarHBondContact O-N 2.84Å; V300-L303 VanDerWaalsContact O-N 3.17Å; L303-K305 PolarHBondContact O-N 3.12Å |
| 304 | E | 45.4 | Very low | 47.7 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -19.3 | 171.4 | -69 | -178.8 | 150.9 | 0 | 0 | 113.4 | V300 | V300-E304 PolarHBondContact O-N 3.01Å; V300-E304 VanDerWaalsContact O-N 3.16Å |
| 305 | K | 40.9 | Very low | 46.1 | Very low | 191 Ų | 191 | 136.9 Ų | 136.9 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 9.8 | -170.5 | -155.6 | 174 | 179 | 178.2 | 0 | 114.7 | S302 L303 | S302-K305 PolarHBondContact O-N 3.27Å; L303-K305 PolarHBondContact O-N 3.12Å |
| 306 | R | 45.6 | Very low | 44.6 | Very low | 219 Ų | 219 | 140.1 Ų | 140.1 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | trans | -132 | 49.1 | -174.2 | -160.4 | 177.7 | -83.1 | -178.8 | -4.9 | 113.6 | ||||
| 307 | L | 38.3 | Very low | 43.5 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | trans | -105.7 | 7.4 | 171.7 | -153.5 | 94.3 | 0 | 0 | 0 | 114 | ||||
| 308 | E | 30.3 | Very low | 43.2 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -131.4 | 104.2 | -179.5 | -72.9 | -177.9 | 154.4 | 0 | 0 | 113.8 | ||
| 309 | Q | 30.1 | Very low | 42.9 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | 71.8 | 85.7 | 141.1 | -53.7 | -175.3 | 11 | 0 | 0 | 122.7 | ||||
| 310 | N | 31.3 | Very low | 42.3 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | 42 | 128.9 | 114.4 | -73.2 | -5.1 | 0 | 0 | 0 | 126.1 | |||||
| 311 | L | 33.1 | Very low | 42.2 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 67.9 | 160.6 | 130.8 | -61.2 | 173.4 | 0 | 0 | 0 | 119 | ||||
| 312 | S | 36.1 | Very low | 42.4 | Very low | 116 Ų | 116 | 154.6 Ų | 154.6 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | cis | -168.2 | 168.4 | -6.3 | 34.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 313 | G | 33.6 | Very low | 42.8 | Very low | 71 Ų | 71 | 160.7 Ų | 160.7 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | cis | 153.8 | 146.2 | -6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 314 | E | 37.4 | Very low | 43 | Very low | 203 Ų | 203 | 161.3 Ų | 161.3 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | trans | 76.9 | 131.9 | 153.3 | -150.7 | 141.2 | -140.5 | 0 | 0 | 121.8 | ||||
| 315 | E | 37.3 | Very low | 43.9 | Very low | 181 Ų | 181 | 156.8 Ų | 156.8 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -113.7 | 151.2 | -169.8 | -62 | 178.6 | 132.9 | 0 | 0 | 113.2 | ||||
| 316 | H | 37.3 | Very low | 45.2 | Very low | 185 Ų | 185 | 153.4 Ų | 153.4 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -93.8 | 117.3 | 173.3 | -97.1 | 36.8 | 0 | 0 | 0 | 113.2 | ||||
| 317 | V | 46.2 | Very low | 46 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | trans | 46.9 | 96.6 | 135.3 | -170.1 | 0 | 0 | 0 | 0 | 116.1 | E319 | V317-E319 HydrophobicContact CG1-CB 4.49Š| ||
| 318 | Q | 53.2 | Low | 47.4 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | cis | 75.8 | 17.8 | 17.1 | -131.6 | -166.3 | 60.2 | 0 | 0 | 120 | ||||
| 319 | E | 54.9 | Low | 49.7 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | trans | -144.3 | 34.1 | 173.3 | -154.2 | 141.5 | -123.6 | 0 | 0 | 118.1 | V317 K322 | V317-E319 HydrophobicContact CG1-CB 4.49Å; E319-K322 IonicContact OE1-NZ 2.64Å; E319-K322 PolarHBondContact OE1-NZ 3.44Å | ||
| 320 | L | 47.1 | Very low | 51.9 | Low | 176 Ų | 176 | 136.6 Ų | 136.6 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -128.5 | 11.4 | 172 | -92.6 | 161.8 | 0 | 0 | 0 | 115 | ||
| 321 | L | 52.5 | Low | 54 | Low | 166 Ų | 166 | 134.7 Ų | 134.7 | 87% | 0.869 | 71% | 0.705 | S | S | * | * | trans | -112.7 | 20.1 | -178.1 | -73.9 | 172.6 | 0 | 0 | 0 | 114.4 | ||||
| 322 | K | 57.7 | Low | 56.2 | Low | 134 Ų | 134 | 131 Ų | 131 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | trans | -90.1 | -6.4 | -171.4 | -73.3 | -178.8 | 178.4 | 173.9 | 0 | 116.4 | E319 | E319-K322 IonicContact OE1-NZ 2.64Å; E319-K322 PolarHBondContact OE1-NZ 3.44Å | ||
| 323 | E | 57.8 | Low | 58.4 | Low | 185 Ų | 185 | 128.3 Ų | 128.3 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -95 | -12.3 | -174.3 | -65.3 | -159.5 | 146.6 | 0 | 0 | 116.2 | ||
| 324 | K | 57.3 | Low | 60.6 | Low | 143 Ų | 143 | 128.7 Ų | 128.7 | 62% | 0.622 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -70.6 | -44.9 | 175.2 | -165.9 | -180 | 176.9 | -107.6 | 0 | 115.5 | L326 E328 | K324-L326 VanDerWaalsContact C-N 3.32Å; K324-L326 PolarHBondContact O-N 2.98Å; K324-E328 VanDerWaalsContact CE-OE1 3.28Å; K324-E328 WeakPolarHBondContact CE-OE1 3.48Å; K324-E328 IonicContact NZ-OE1 2.66Å; K324-E328 PolarHBondContact NZ-OE1 2.87Å; K324-E328 IonicContact NZ-OE2 2.88Å; K324-E328 PolarHBondContact NZ-OE2 3.34Å |
| 325 | P | 63.8 | Low | 62.7 | Low | 69 Ų | 69 | 126 Ų | 126 | 45% | 0.448 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.6 | -23 | -168.1 | 27.4 | -35 | 0 | 0 | 0 | 114 | A327 E328 Q329 | P325-A327 VanDerWaalsContact C-N 3.32Å; P325-A327 PolarHBondContact O-N 3.28Å; P325-E328 PolarHBondContact O-N 2.98Å; P325-Q329 PolarHBondContact O-N 2.98Å |
| 326 | L | 67.9 | Low | 65 | Low | 121 Ų | 121 | 122.4 Ų | 122.4 | 63% | 0.634 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69 | -29.2 | -176.5 | -124.1 | 159.9 | 0 | 0 | 0 | 112.9 | K324 N330 | K324-L326 VanDerWaalsContact C-N 3.32Å; K324-L326 PolarHBondContact O-N 2.98Å; L326-N330 PolarHBondContact O-ND2 2.86Å |
| 327 | A | 62.6 | Low | 67.2 | Low | 71 Ų | 71 | 120 Ų | 120 | 59% | 0.587 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -79.5 | -33.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P325 | P325-A327 VanDerWaalsContact C-N 3.32Å; P325-A327 PolarHBondContact O-N 3.28Å |
| 328 | E | 69.1 | Low | 69 | Low | 105 Ų | 105 | 120.4 Ų | 120.4 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68 | -36.5 | 175.4 | -68.3 | 176.3 | 153.1 | 0 | 0 | 110.8 | K324 P325 L331 E332 | K324-E328 VanDerWaalsContact CE-OE1 3.28Å; K324-E328 WeakPolarHBondContact CE-OE1 3.48Å; K324-E328 IonicContact NZ-OE1 2.66Å; K324-E328 PolarHBondContact NZ-OE1 2.87Å; K324-E328 IonicContact NZ-OE2 2.88Å; K324-E328 PolarHBondContact NZ-OE2 3.34Å; P325-E328 PolarHBondContact O-N 2.98Å; E328-L331 PolarHBondContact O-N 3.5Å; E328-E332 PolarHBondContact O-N 2.9Å |
| 329 | Q | 77.2 | Confident | 70.6 | Confident | 111 Ų | 111 | 117 Ų | 117 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.3 | -51.2 | 174.4 | -167.6 | 74.9 | 46.1 | 0 | 0 | 113 | P325 L331 E332 D333 | P325-Q329 PolarHBondContact O-N 2.98Å; Q329-L331 VanDerWaalsContact C-N 3.27Å; Q329-L331 PolarHBondContact O-N 3.44Å; Q329-E332 PolarHBondContact O-N 2.99Å; Q329-D333 PolarHBondContact O-N 2.87Å |
| 330 | N | 75.7 | Confident | 72.1 | Confident | 100 Ų | 100 | 113.1 Ų | 113.1 | 54% | 0.535 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.6 | -29.7 | -178 | -76 | -38.3 | 0 | 0 | 0 | 113.4 | L326 T334 | L326-N330 PolarHBondContact O-ND2 2.86Å; N330-T334 WeakPolarHBondContact O-CG2 3.35Å; N330-T334 PolarHBondContact O-N 3.17Å; N330-T334 PolarHBondContact O-OG1 3.03Å |
| 331 | L | 75.8 | Confident | 73.8 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.4 | -32.7 | 175 | -162.5 | 85.4 | 0 | 0 | 0 | 111.7 | E328 Q329 T334 R335 | E328-L331 PolarHBondContact O-N 3.5Å; Q329-L331 VanDerWaalsContact C-N 3.27Å; Q329-L331 PolarHBondContact O-N 3.44Å; L331-T334 PolarHBondContact O-OG1 3.06Å; L331-T334 VanDerWaalsContact O-OG1 3.09Å; L331-R335 PolarHBondContact O-N 3.04Å |
| 332 | E | 79.5 | Confident | 75.4 | Confident | 79 Ų | 79 | 107.8 Ų | 107.8 | 37% | 0.369 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -76 | -42 | 177.6 | -173.6 | 52.2 | -148.8 | 0 | 0 | 111.4 | E328 Q329 T334 R335 Q336 | E328-E332 PolarHBondContact O-N 2.9Å; Q329-E332 PolarHBondContact O-N 2.99Å; E332-T334 VanDerWaalsContact C-N 3.33Å; E332-T334 PolarHBondContact O-N 3.15Å; E332-R335 WeakPolarHBondContact O-CB 3.47Å; E332-R335 PolarHBondContact O-N 3.06Å; E332-R335 VanDerWaalsContact O-N 3.11Å; E332-Q336 WeakPolarHBondContact O-CG 3.47Å; E332-Q336 PolarHBondContact O-N 3.31Å; E332-Q336 PolarHBondContact OE1-NE2 3.42Å |
| 333 | D | 83.1 | Confident | 76.8 | Confident | 59 Ų | 59 | 104.1 Ų | 104.1 | 32% | 0.316 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 176.6 | -66 | -17.9 | 0 | 0 | 0 | 111.9 | Q329 Q336 Q337 | Q329-D333 PolarHBondContact O-N 2.87Å; D333-Q336 PolarHBondContact O-N 3.4Å; D333-Q337 WeakPolarHBondContact O-CG 3.3Å; D333-Q337 PolarHBondContact O-N 3.14Å |
| 334 | T | 80.3 | Confident | 78.2 | Confident | 79 Ų | 79 | 98.7 Ų | 98.7 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.7 | -33.1 | 175.5 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | N330 L331 E332 L338 | N330-T334 WeakPolarHBondContact O-CG2 3.35Å; N330-T334 PolarHBondContact O-N 3.17Å; N330-T334 PolarHBondContact O-OG1 3.03Å; L331-T334 PolarHBondContact O-OG1 3.06Å; L331-T334 VanDerWaalsContact O-OG1 3.09Å; E332-T334 VanDerWaalsContact C-N 3.33Å; E332-T334 PolarHBondContact O-N 3.15Å; T334-L338 WeakPolarHBondContact O-CB 3.22Å; T334-L338 PolarHBondContact O-N 3.21Å |
| 335 | R | 81.6 | Confident | 79.7 | Confident | 148 Ų | 148 | 98 Ų | 98 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -44.6 | 169.3 | -88.7 | -175.7 | 167.3 | 132.2 | 0 | 112.2 | L331 E332 L338 L339 | L331-R335 PolarHBondContact O-N 3.04Å; E332-R335 WeakPolarHBondContact O-CB 3.47Å; E332-R335 PolarHBondContact O-N 3.06Å; E332-R335 VanDerWaalsContact O-N 3.11Å; R335-L338 PolarHBondContact O-N 3.32Å; R335-L339 WeakPolarHBondContact O-CG 3.11Å; R335-L339 PolarHBondContact O-N 3.49Å |
| 336 | Q | 84.4 | Confident | 80.8 | Confident | 104 Ų | 104 | 96.9 Ų | 96.9 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | -179.4 | -70.3 | -179.7 | 19.3 | 0 | 0 | 111.9 | E332 D333 L338 L339 A340 | E332-Q336 WeakPolarHBondContact O-CG 3.47Å; E332-Q336 PolarHBondContact O-N 3.31Å; E332-Q336 PolarHBondContact OE1-NE2 3.42Å; D333-Q336 PolarHBondContact O-N 3.4Å; Q336-L338 PolarHBondContact O-N 2.96Å; Q336-L339 PolarHBondContact O-N 2.88Å; Q336-A340 WeakPolarHBondContact O-CB 3.45Å; Q336-A340 PolarHBondContact O-N 2.95Å |
| 337 | Q | 84.3 | Confident | 81.9 | Confident | 136 Ų | 136 | 98.4 Ų | 98.4 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 172.6 | -71.1 | 174.8 | 14.6 | 0 | 0 | 112.4 | D333 A340 A341 | D333-Q337 WeakPolarHBondContact O-CG 3.3Å; D333-Q337 PolarHBondContact O-N 3.14Å; Q337-A340 PolarHBondContact O-N 3.37Å; Q337-A341 WeakPolarHBondContact O-CB 3.3Å; Q337-A341 PolarHBondContact O-N 2.74Å |
| 338 | L | 83.6 | Confident | 83.2 | Confident | 126 Ų | 126 | 97.5 Ų | 97.5 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.1 | -36 | 179.7 | -153.8 | 155.4 | 0 | 0 | 0 | 111.8 | T334 R335 Q336 R342 | T334-L338 WeakPolarHBondContact O-CB 3.22Å; T334-L338 PolarHBondContact O-N 3.21Å; R335-L338 PolarHBondContact O-N 3.32Å; Q336-L338 PolarHBondContact O-N 2.96Å; L338-R342 WeakPolarHBondContact O-CB 3.25Å; L338-R342 PolarHBondContact O-N 3.3Å |
| 339 | L | 85.9 | Confident | 84.2 | Confident | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 170 | -74.6 | 170.2 | 0 | 0 | 0 | 112.1 | R335 Q336 R342 S343 | R335-L339 WeakPolarHBondContact O-CG 3.11Å; R335-L339 PolarHBondContact O-N 3.49Å; Q336-L339 PolarHBondContact O-N 2.88Å; L339-R342 PolarHBondContact O-N 3.35Å; L339-S343 WeakPolarHBondContact O-CB 3.34Å; L339-S343 PolarHBondContact O-N 2.87Å |
| 340 | A | 86 | Confident | 84.9 | Confident | 54 Ų | 54 | 95.3 Ų | 95.3 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q336 Q337 S343 S344 | Q336-A340 WeakPolarHBondContact O-CB 3.45Å; Q336-A340 PolarHBondContact O-N 2.95Å; Q337-A340 PolarHBondContact O-N 3.37Å; A340-S343 PolarHBondContact O-N 2.94Å; A340-S343 PolarHBondContact O-OG 2.86Å; A340-S344 PolarHBondContact O-N 3.23Å |
| 341 | A | 83.9 | Confident | 85.6 | Confident | 52 Ų | 52 | 93.2 Ų | 93.2 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.4 | -50.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q337 S343 S344 Q345 | Q337-A341 WeakPolarHBondContact O-CB 3.3Å; Q337-A341 PolarHBondContact O-N 2.74Å; A341-S343 VanDerWaalsContact C-N 3.28Å; A341-S343 PolarHBondContact O-N 2.85Å; A341-S344 PolarHBondContact O-N 3.35Å; A341-S344 VanDerWaalsContact O-N 3.11Å; A341-S344 PolarHBondContact O-OG 3.27Å; A341-Q345 PolarHBondContact O-N 3.43Å |
| 342 | R | 86.3 | Confident | 86.3 | Confident | 178 Ų | 178 | 93.7 Ų | 93.7 | 67% | 0.672 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.5 | -37.5 | 176.4 | -170.1 | 178.2 | -179.1 | -169.9 | -0.4 | 112.7 | L338 L339 Q345 A346 | L338-R342 WeakPolarHBondContact O-CB 3.25Å; L338-R342 PolarHBondContact O-N 3.3Å; L339-R342 PolarHBondContact O-N 3.35Å; R342-Q345 PolarHBondContact O-N 3.13Å; R342-A346 WeakPolarHBondContact O-CB 3.37Å; R342-A346 PolarHBondContact O-N 3.24Å |
| 343 | S | 85.9 | Confident | 86.9 | Confident | 56 Ų | 56 | 94.4 Ų | 94.4 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -37.4 | 176.1 | 84.1 | 0 | 0 | 0 | 0 | 112.8 | L339 A340 A341 K347 | L339-S343 WeakPolarHBondContact O-CB 3.34Å; L339-S343 PolarHBondContact O-N 2.87Å; A340-S343 PolarHBondContact O-N 2.94Å; A340-S343 PolarHBondContact O-OG 2.86Å; A341-S343 VanDerWaalsContact C-N 3.28Å; A341-S343 PolarHBondContact O-N 2.85Å; S343-K347 VanDerWaalsContact O-CG 3.32Å; S343-K347 WeakPolarHBondContact O-CG 3.31Å; S343-K347 PolarHBondContact O-N 2.9Å |
| 344 | S | 88.1 | Confident | 87.3 | Confident | 71 Ų | 71 | 94.2 Ų | 94.2 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 175.4 | 73.1 | 0 | 0 | 0 | 0 | 111.7 | A340 A341 K347 A348 | A340-S344 PolarHBondContact O-N 3.23Å; A341-S344 PolarHBondContact O-N 3.35Å; A341-S344 VanDerWaalsContact O-N 3.11Å; A341-S344 PolarHBondContact O-OG 3.27Å; S344-K347 PolarHBondContact O-N 2.72Å; S344-A348 PolarHBondContact O-N 2.93Å |
| 345 | Q | 88.6 | Confident | 88 | Confident | 128 Ų | 128 | 98.2 Ų | 98.2 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -41.4 | 175.4 | -169 | 176.2 | 6.4 | 0 | 0 | 111.6 | A341 R342 K347 A348 I349 | A341-Q345 PolarHBondContact O-N 3.43Å; R342-Q345 PolarHBondContact O-N 3.13Å; Q345-K347 PolarHBondContact O-N 2.93Å; Q345-A348 PolarHBondContact O-N 3.37Å; Q345-I349 HydrophobicContact CG-CD1 4.12Å; Q345-I349 VanDerWaalsContact O-CG1 3.3Å; Q345-I349 WeakPolarHBondContact O-CG1 3.5Å; Q345-I349 PolarHBondContact O-N 2.86Å |
| 346 | A | 87.7 | Confident | 88.5 | Confident | 47 Ų | 47 | 94.7 Ų | 94.7 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R342 I349 N350 | R342-A346 WeakPolarHBondContact O-CB 3.37Å; R342-A346 PolarHBondContact O-N 3.24Å; A346-I349 PolarHBondContact O-N 3.37Å; A346-N350 WeakPolarHBondContact O-CB 3.25Å; A346-N350 VanDerWaalsContact O-CG 3.29Å; A346-N350 PolarHBondContact O-N 2.88Å |
| 347 | K | 91.3 | Very high | 89 | Confident | 152 Ų | 152 | 95.4 Ų | 95.4 | 66% | 0.661 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 173.4 | -72.7 | 170.8 | -178 | 178.3 | 0 | 112.1 | S343 S344 Q345 N350 A351 | S343-K347 VanDerWaalsContact O-CG 3.32Å; S343-K347 WeakPolarHBondContact O-CG 3.31Å; S343-K347 PolarHBondContact O-N 2.9Å; S344-K347 PolarHBondContact O-N 2.72Å; Q345-K347 PolarHBondContact O-N 2.93Å; K347-N350 PolarHBondContact O-N 2.78Å; K347-A351 WeakPolarHBondContact O-CB 3.41Å; K347-A351 PolarHBondContact O-N 2.89Å |
| 348 | A | 89.7 | Confident | 89.4 | Confident | 53 Ų | 53 | 94.5 Ų | 94.5 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S344 Q345 A351 L352 | S344-A348 PolarHBondContact O-N 2.93Å; Q345-A348 PolarHBondContact O-N 3.37Å; A348-A351 PolarHBondContact O-N 3.34Å; A348-L352 WeakPolarHBondContact O-CG 3.45Å; A348-L352 PolarHBondContact O-N 3.46Å |
| 349 | I | 90.3 | Very high | 89.9 | Confident | 75 Ų | 75 | 93.4 Ų | 93.4 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 174.2 | -70 | 165.6 | 0 | 0 | 0 | 110.3 | Q345 A346 A351 L352 E353 | Q345-I349 HydrophobicContact CG-CD1 4.12Å; Q345-I349 VanDerWaalsContact O-CG1 3.3Å; Q345-I349 WeakPolarHBondContact O-CG1 3.5Å; Q345-I349 PolarHBondContact O-N 2.86Å; A346-I349 PolarHBondContact O-N 3.37Å; I349-A351 VanDerWaalsContact C-N 3.26Å; I349-A351 PolarHBondContact O-N 2.75Å; I349-L352 PolarHBondContact O-N 2.94Å; I349-E353 HydrophobicContact CG2-CG 4.28Å; I349-E353 WeakPolarHBondContact CG2-OE1 3.5Å; I349-E353 WeakPolarHBondContact O-CG 3.32Å; I349-E353 PolarHBondContact O-N 2.84Å |
| 350 | N | 90.7 | Very high | 90.2 | Very high | 94 Ų | 94 | 93.8 Ų | 93.8 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.4 | -36.3 | 176.6 | -72.5 | -11.8 | 0 | 0 | 0 | 112.8 | A346 K347 T354 | A346-N350 WeakPolarHBondContact O-CB 3.25Å; A346-N350 VanDerWaalsContact O-CG 3.29Å; A346-N350 PolarHBondContact O-N 2.88Å; K347-N350 PolarHBondContact O-N 2.78Å; N350-T354 PolarHBondContact O-N 2.83Å; N350-T354 PolarHBondContact O-OG1 3Å |
| 351 | A | 91.5 | Very high | 90.6 | Very high | 57 Ų | 57 | 97.8 Ų | 97.8 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.1 | -33.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K347 A348 I349 T354 R355 | K347-A351 WeakPolarHBondContact O-CB 3.41Å; K347-A351 PolarHBondContact O-N 2.89Å; A348-A351 PolarHBondContact O-N 3.34Å; I349-A351 VanDerWaalsContact C-N 3.26Å; I349-A351 PolarHBondContact O-N 2.75Å; A351-T354 WeakPolarHBondContact CA-OG1 3.32Å; A351-T354 PolarHBondContact O-OG1 3.14Å; A351-T354 VanDerWaalsContact O-OG1 3.09Å; A351-R355 WeakPolarHBondContact O-CB 3.42Å; A351-R355 PolarHBondContact O-N 3.22Å |
| 352 | L | 90.4 | Very high | 91.1 | Very high | 114 Ų | 114 | 99.5 Ų | 99.5 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.3 | -42.3 | 172.7 | -72.2 | 170.3 | 0 | 0 | 0 | 111.5 | A348 I349 T354 R355 V356 | A348-L352 WeakPolarHBondContact O-CG 3.45Å; A348-L352 PolarHBondContact O-N 3.46Å; I349-L352 PolarHBondContact O-N 2.94Å; L352-T354 VanDerWaalsContact C-N 3.35Å; L352-T354 PolarHBondContact O-N 3.45Å; L352-R355 PolarHBondContact O-N 3.19Å; L352-V356 WeakPolarHBondContact O-CG2 3.39Å; L352-V356 PolarHBondContact O-N 3.43Å |
| 353 | E | 91.9 | Very high | 91.5 | Very high | 94 Ų | 94 | 95.7 Ų | 95.7 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 177 | -71.9 | 178.6 | -172.4 | 0 | 0 | 113.1 | I349 R357 | I349-E353 HydrophobicContact CG2-CG 4.28Å; I349-E353 WeakPolarHBondContact CG2-OE1 3.5Å; I349-E353 WeakPolarHBondContact O-CG 3.32Å; I349-E353 PolarHBondContact O-N 2.84Å; E353-R357 PolarHBondContact O-N 3.25Å; E353-R357 PolarHBondContact O-NE 3.47Å; E353-R357 IonicContact OE2-NH2 2.64Å |
| 354 | T | 91.8 | Very high | 91.8 | Very high | 55 Ų | 55 | 98.3 Ų | 98.3 | 34% | 0.337 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -46 | 172 | 35 | 0 | 0 | 0 | 0 | 110.9 | N350 A351 L352 V356 R357 E358 | N350-T354 PolarHBondContact O-N 2.83Å; N350-T354 PolarHBondContact O-OG1 3Å; A351-T354 WeakPolarHBondContact CA-OG1 3.32Å; A351-T354 PolarHBondContact O-OG1 3.14Å; A351-T354 VanDerWaalsContact O-OG1 3.09Å; L352-T354 VanDerWaalsContact C-N 3.35Å; L352-T354 PolarHBondContact O-N 3.45Å; T354-V356 VanDerWaalsContact C-N 3.31Å; T354-V356 PolarHBondContact O-N 2.91Å; T354-R357 PolarHBondContact O-N 3.26Å; T354-E358 WeakPolarHBondContact O-CG 3.45Å; T354-E358 PolarHBondContact O-N 3.03Å |
| 355 | R | 94.2 | Very high | 92.1 | Very high | 163 Ų | 163 | 97.1 Ų | 97.1 | 62% | 0.615 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -33.6 | 176.2 | -168.3 | 177 | -178.7 | 101.7 | -1 | 113.4 | A351 L352 L359 | A351-R355 WeakPolarHBondContact O-CB 3.42Å; A351-R355 PolarHBondContact O-N 3.22Å; L352-R355 PolarHBondContact O-N 3.19Å; R355-L359 HydrophobicContact CG-CD1 4.44Å; R355-L359 WeakPolarHBondContact O-CB 3.48Å; R355-L359 VanDerWaalsContact O-CG 3.25Å; R355-L359 WeakPolarHBondContact O-CG 3.49Å; R355-L359 PolarHBondContact O-N 2.85Å |
| 356 | V | 92.9 | Very high | 92.2 | Very high | 74 Ų | 74 | 93.7 Ų | 93.7 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -48.2 | 172.3 | 168.1 | 0 | 0 | 0 | 0 | 110.3 | L352 T354 E358 L359 E360 | L352-V356 WeakPolarHBondContact O-CG2 3.39Å; L352-V356 PolarHBondContact O-N 3.43Å; T354-V356 VanDerWaalsContact C-N 3.31Å; T354-V356 PolarHBondContact O-N 2.91Å; V356-E358 VanDerWaalsContact C-N 3.34Å; V356-E358 PolarHBondContact O-N 2.88Å; V356-L359 PolarHBondContact O-N 3.14Å; V356-L359 VanDerWaalsContact O-N 3.13Å; V356-E360 HydrophobicContact CG1-CG 4.29Å; V356-E360 WeakPolarHBondContact O-CG 3.42Å; V356-E360 PolarHBondContact O-N 2.89Å |
| 357 | R | 93.2 | Very high | 92.4 | Very high | 119 Ų | 119 | 96.7 Ų | 96.7 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 175.7 | -88.3 | 177.1 | -84.1 | 123.7 | -7.7 | 113.4 | E353 T354 Q361 | E353-R357 PolarHBondContact O-N 3.25Å; E353-R357 PolarHBondContact O-NE 3.47Å; E353-R357 IonicContact OE2-NH2 2.64Å; T354-R357 PolarHBondContact O-N 3.26Å; R357-Q361 WeakPolarHBondContact O-CB 3.39Å; R357-Q361 VanDerWaalsContact O-CG 3.31Å; R357-Q361 WeakPolarHBondContact O-CG 3.4Å; R357-Q361 PolarHBondContact O-N 3.08Å |
| 358 | E | 93.7 | Very high | 92.5 | Very high | 116 Ų | 116 | 93.7 Ų | 93.7 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 173.1 | -74 | 167.7 | -173.9 | 0 | 0 | 111.1 | T354 V356 Q361 T362 | T354-E358 WeakPolarHBondContact O-CG 3.45Å; T354-E358 PolarHBondContact O-N 3.03Å; V356-E358 VanDerWaalsContact C-N 3.34Å; V356-E358 PolarHBondContact O-N 2.88Å; E358-Q361 PolarHBondContact O-N 2.74Å; E358-T362 WeakPolarHBondContact O-CG2 3.49Å; E358-T362 PolarHBondContact O-N 3.47Å; E358-T362 PolarHBondContact O-OG1 3.41Å |
| 359 | L | 93.4 | Very high | 92.7 | Very high | 104 Ų | 104 | 97.5 Ų | 97.5 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 176.8 | -75.5 | 169.2 | 0 | 0 | 0 | 112.1 | R355 V356 Q361 T362 L363 | R355-L359 HydrophobicContact CG-CD1 4.44Å; R355-L359 WeakPolarHBondContact O-CB 3.48Å; R355-L359 VanDerWaalsContact O-CG 3.25Å; R355-L359 WeakPolarHBondContact O-CG 3.49Å; R355-L359 PolarHBondContact O-N 2.85Å; V356-L359 PolarHBondContact O-N 3.14Å; V356-L359 VanDerWaalsContact O-N 3.13Å; L359-Q361 PolarHBondContact O-N 3.09Å; L359-T362 WeakPolarHBondContact CA-OG1 3.47Å; L359-T362 PolarHBondContact O-N 3.33Å; L359-T362 PolarHBondContact O-OG1 2.96Å; L359-L363 WeakPolarHBondContact O-CB 3.44Å; L359-L363 PolarHBondContact O-N 3.1Å |
| 360 | E | 93.6 | Very high | 92.9 | Very high | 113 Ų | 113 | 98.8 Ų | 98.8 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 174.9 | -72.6 | 169.8 | 162.6 | 0 | 0 | 111.5 | V356 L363 Q364 | V356-E360 HydrophobicContact CG1-CG 4.29Å; V356-E360 WeakPolarHBondContact O-CG 3.42Å; V356-E360 PolarHBondContact O-N 2.89Å; E360-L363 PolarHBondContact O-N 3.47Å; E360-Q364 WeakPolarHBondContact O-CB 3.25Å; E360-Q364 PolarHBondContact O-N 3.29Å |
| 361 | Q | 93.8 | Very high | 93 | Very high | 138 Ų | 138 | 100.7 Ų | 100.7 | 65% | 0.645 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 174.8 | -75.9 | 179.4 | -6.5 | 0 | 0 | 112.5 | R357 E358 L359 A365 | R357-Q361 WeakPolarHBondContact O-CB 3.39Å; R357-Q361 VanDerWaalsContact O-CG 3.31Å; R357-Q361 WeakPolarHBondContact O-CG 3.4Å; R357-Q361 PolarHBondContact O-N 3.08Å; E358-Q361 PolarHBondContact O-N 2.74Å; L359-Q361 PolarHBondContact O-N 3.09Å; Q361-A365 WeakPolarHBondContact O-CB 3.1Å; Q361-A365 PolarHBondContact O-N 3.28Å |
| 362 | T | 93.8 | Very high | 93.1 | Very high | 88 Ų | 88 | 104.2 Ų | 104.2 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.3 | -34.6 | 176.4 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | E358 L359 S366 | E358-T362 WeakPolarHBondContact O-CG2 3.49Å; E358-T362 PolarHBondContact O-N 3.47Å; E358-T362 PolarHBondContact O-OG1 3.41Å; L359-T362 WeakPolarHBondContact CA-OG1 3.47Å; L359-T362 PolarHBondContact O-N 3.33Å; L359-T362 PolarHBondContact O-OG1 2.96Å; T362-S366 WeakPolarHBondContact O-CB 3.29Å; T362-S366 PolarHBondContact O-N 2.94Å |
| 363 | L | 94.1 | Very high | 93.1 | Very high | 98 Ų | 98 | 102 Ų | 102 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -50.9 | 175.7 | -178.1 | 66.6 | 0 | 0 | 0 | 110 | L359 E360 A365 S366 E367 | L359-L363 WeakPolarHBondContact O-CB 3.44Å; L359-L363 PolarHBondContact O-N 3.1Å; E360-L363 PolarHBondContact O-N 3.47Å; L363-A365 VanDerWaalsContact C-N 3.34Å; L363-A365 PolarHBondContact O-N 2.88Å; L363-S366 CarbonylContact O-C 3.57Å; L363-S366 WeakPolarHBondContact O-CA 3.3Å; L363-S366 WeakPolarHBondContact O-CB 3.47Å; L363-S366 PolarHBondContact O-N 3.47Å; L363-S366 PolarHBondContact O-OG 2.94Å; L363-E367 PolarHBondContact O-N 2.85Å |
| 364 | Q | 93.9 | Very high | 93.2 | Very high | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 177.5 | -175.2 | -180 | -20.9 | 0 | 0 | 111.5 | E360 S366 E367 E368 | E360-Q364 WeakPolarHBondContact O-CB 3.25Å; E360-Q364 PolarHBondContact O-N 3.29Å; Q364-S366 VanDerWaalsContact C-N 3.26Å; Q364-S366 PolarHBondContact O-N 3.22Å; Q364-E367 PolarHBondContact O-N 3.34Å; Q364-E368 HydrophobicContact CG-CG 4.49Å; Q364-E368 WeakPolarHBondContact CG-OE1 3.41Å; Q364-E368 PolarHBondContact NE2-OE1 2.8Å; Q364-E368 WeakPolarHBondContact O-CB 3.37Å; Q364-E368 WeakPolarHBondContact O-CG 3.3Å; Q364-E368 PolarHBondContact O-N 3.45Å |
| 365 | A | 93 | Very high | 93.3 | Very high | 45 Ų | 45 | 102.4 Ų | 102.4 | 37% | 0.372 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q361 L363 Q369 | Q361-A365 WeakPolarHBondContact O-CB 3.1Å; Q361-A365 PolarHBondContact O-N 3.28Å; L363-A365 VanDerWaalsContact C-N 3.34Å; L363-A365 PolarHBondContact O-N 2.88Å; A365-Q369 WeakPolarHBondContact O-CB 3.26Å; A365-Q369 VanDerWaalsContact O-CG 3.28Å; A365-Q369 WeakPolarHBondContact O-CG 3.31Å; A365-Q369 PolarHBondContact O-N 2.75Å |
| 366 | S | 90.7 | Very high | 93.2 | Very high | 56 Ų | 56 | 98.4 Ų | 98.4 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.2 | -34.3 | 175.4 | 78.4 | 0 | 0 | 0 | 0 | 113.2 | T362 L363 Q364 L370 | T362-S366 WeakPolarHBondContact O-CB 3.29Å; T362-S366 PolarHBondContact O-N 2.94Å; L363-S366 CarbonylContact O-C 3.57Å; L363-S366 WeakPolarHBondContact O-CA 3.3Å; L363-S366 WeakPolarHBondContact O-CB 3.47Å; L363-S366 PolarHBondContact O-N 3.47Å; L363-S366 PolarHBondContact O-OG 2.94Å; Q364-S366 VanDerWaalsContact C-N 3.26Å; Q364-S366 PolarHBondContact O-N 3.22Å; S366-L370 VanDerWaalsContact O-CB 3.31Å; S366-L370 WeakPolarHBondContact O-CB 3.44Å; S366-L370 PolarHBondContact O-N 3.34Å |
| 367 | E | 92.8 | Very high | 93.2 | Very high | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -42.4 | 174.4 | -72.3 | -174.3 | 156.2 | 0 | 0 | 111.2 | L363 Q364 L370 Q371 | L363-E367 PolarHBondContact O-N 2.85Å; Q364-E367 PolarHBondContact O-N 3.34Å; E367-L370 PolarHBondContact O-N 3.34Å; E367-Q371 WeakPolarHBondContact O-CG 3.02Å; E367-Q371 PolarHBondContact O-N 2.84Å |
| 368 | E | 93.3 | Very high | 93.3 | Very high | 89 Ų | 89 | 94.9 Ų | 94.9 | 42% | 0.416 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 173.7 | -71.8 | 174.5 | -166.3 | 0 | 0 | 111.3 | Q364 Q371 Q372 | Q364-E368 HydrophobicContact CG-CG 4.49Å; Q364-E368 WeakPolarHBondContact CG-OE1 3.41Å; Q364-E368 PolarHBondContact NE2-OE1 2.8Å; Q364-E368 WeakPolarHBondContact O-CB 3.37Å; Q364-E368 WeakPolarHBondContact O-CG 3.3Å; Q364-E368 PolarHBondContact O-N 3.45Å; E368-Q371 PolarHBondContact O-N 2.91Å; E368-Q372 WeakPolarHBondContact O-CB 3.47Å; E368-Q372 VanDerWaalsContact O-CG 3.26Å; E368-Q372 WeakPolarHBondContact O-CG 3.3Å; E368-Q372 PolarHBondContact O-N 2.98Å |
| 369 | Q | 94.3 | Very high | 93.2 | Very high | 134 Ų | 134 | 92.3 Ų | 92.3 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -39.5 | 172.5 | -78.1 | -180 | 4.1 | 0 | 0 | 112.7 | A365 Q372 S373 | A365-Q369 WeakPolarHBondContact O-CB 3.26Å; A365-Q369 VanDerWaalsContact O-CG 3.28Å; A365-Q369 WeakPolarHBondContact O-CG 3.31Å; A365-Q369 PolarHBondContact O-N 2.75Å; Q369-Q372 PolarHBondContact O-N 3.32Å; Q369-S373 WeakPolarHBondContact O-CB 3.43Å; Q369-S373 PolarHBondContact O-N 2.9Å |
| 370 | L | 93.8 | Very high | 93.2 | Very high | 101 Ų | 101 | 92.4 Ų | 92.4 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 176.9 | -177 | 64.7 | 0 | 0 | 0 | 111.3 | S366 E367 S373 Q374 | S366-L370 VanDerWaalsContact O-CB 3.31Å; S366-L370 WeakPolarHBondContact O-CB 3.44Å; S366-L370 PolarHBondContact O-N 3.34Å; E367-L370 PolarHBondContact O-N 3.34Å; L370-S373 PolarHBondContact O-N 2.96Å; L370-Q374 WeakPolarHBondContact O-CB 3.35Å; L370-Q374 VanDerWaalsContact O-CG 3.28Å; L370-Q374 WeakPolarHBondContact O-CG 3.45Å; L370-Q374 PolarHBondContact O-N 3.19Å |
| 371 | Q | 93.6 | Very high | 93.3 | Very high | 134 Ų | 134 | 92.4 Ų | 92.4 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 174.5 | -74.6 | -179.2 | 3.2 | 0 | 0 | 111.9 | E367 E368 Q374 G375 | E367-Q371 WeakPolarHBondContact O-CG 3.02Å; E367-Q371 PolarHBondContact O-N 2.84Å; E368-Q371 PolarHBondContact O-N 2.91Å; Q371-Q374 PolarHBondContact O-N 2.91Å; Q371-G375 PolarHBondContact O-N 3.42Å |
| 372 | Q | 92.4 | Very high | 93.3 | Very high | 132 Ų | 132 | 88.3 Ų | 88.3 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61 | -45 | 173.7 | -72 | 171.1 | 29.4 | 0 | 0 | 111.3 | E368 Q369 Q374 G375 V376 | E368-Q372 WeakPolarHBondContact O-CB 3.47Å; E368-Q372 VanDerWaalsContact O-CG 3.26Å; E368-Q372 WeakPolarHBondContact O-CG 3.3Å; E368-Q372 PolarHBondContact O-N 2.98Å; Q369-Q372 PolarHBondContact O-N 3.32Å; Q372-Q374 PolarHBondContact O-N 2.86Å; Q372-G375 PolarHBondContact O-N 2.95Å; Q372-V376 WeakPolarHBondContact O-CG2 3.43Å; Q372-V376 PolarHBondContact O-N 3.37Å |
| 373 | S | 91.4 | Very high | 93.3 | Very high | 66 Ų | 66 | 89.9 Ų | 89.9 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.3 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | Q369 L370 V376 V377 | Q369-S373 WeakPolarHBondContact O-CB 3.43Å; Q369-S373 PolarHBondContact O-N 2.9Å; L370-S373 PolarHBondContact O-N 2.96Å; S373-V376 PolarHBondContact O-N 3.43Å; S373-V377 WeakPolarHBondContact O-CG2 3.46Å; S373-V377 PolarHBondContact O-N 2.84Å |
| 374 | Q | 93.5 | Very high | 93.3 | Very high | 116 Ų | 116 | 90.2 Ų | 90.2 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 174.8 | -76.6 | 173.4 | -1.4 | 0 | 0 | 111.4 | L370 Q371 Q372 V377 A378 | L370-Q374 WeakPolarHBondContact O-CB 3.35Å; L370-Q374 VanDerWaalsContact O-CG 3.28Å; L370-Q374 WeakPolarHBondContact O-CG 3.45Å; L370-Q374 PolarHBondContact O-N 3.19Å; Q371-Q374 PolarHBondContact O-N 2.91Å; Q372-Q374 PolarHBondContact O-N 2.86Å; Q374-V377 PolarHBondContact O-N 3.25Å; Q374-A378 WeakPolarHBondContact O-CB 3.47Å; Q374-A378 PolarHBondContact O-N 3.41Å |
| 375 | G | 93.1 | Very high | 93.3 | Very high | 43 Ų | 43 | 91.4 Ų | 91.4 | 44% | 0.443 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q371 Q372 A379 | Q371-G375 PolarHBondContact O-N 3.42Å; Q372-G375 PolarHBondContact O-N 2.95Å; G375-A379 WeakPolarHBondContact O-CB 3.09Å; G375-A379 PolarHBondContact O-N 3.08Å |
| 376 | V | 93.8 | Very high | 93.4 | Very high | 79 Ų | 79 | 96.1 Ų | 96.1 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | Q372 S373 A379 Q380 | Q372-V376 WeakPolarHBondContact O-CG2 3.43Å; Q372-V376 PolarHBondContact O-N 3.37Å; S373-V376 PolarHBondContact O-N 3.43Å; V376-A379 PolarHBondContact O-N 3.06Å; V376-Q380 WeakPolarHBondContact O-CG 3.49Å; V376-Q380 PolarHBondContact O-N 2.79Å |
| 377 | V | 92.7 | Very high | 93.5 | Very high | 64 Ų | 64 | 99 Ų | 99 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 177.3 | 170 | 0 | 0 | 0 | 0 | 111.1 | S373 Q374 A379 Q380 E381 | S373-V377 WeakPolarHBondContact O-CG2 3.46Å; S373-V377 PolarHBondContact O-N 2.84Å; Q374-V377 PolarHBondContact O-N 3.25Å; V377-A379 VanDerWaalsContact C-N 3.31Å; V377-A379 PolarHBondContact O-N 2.93Å; V377-Q380 PolarHBondContact O-N 3.13Å; V377-Q380 VanDerWaalsContact O-N 3.16Å; V377-E381 HydrophobicContact CG1-CG 4.39Å; V377-E381 WeakPolarHBondContact O-CG 3.27Å; V377-E381 PolarHBondContact O-N 2.79Å |
| 378 | A | 93.9 | Very high | 93.6 | Very high | 55 Ų | 55 | 97.2 Ų | 97.2 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q374 A382 | Q374-A378 WeakPolarHBondContact O-CB 3.47Å; Q374-A378 PolarHBondContact O-N 3.41Å; A378-A382 WeakPolarHBondContact O-CB 3.24Å; A378-A382 PolarHBondContact O-N 3.38Å |
| 379 | A | 93.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 95.5 Ų | 95.5 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G375 V376 V377 Q383 | G375-A379 WeakPolarHBondContact O-CB 3.09Å; G375-A379 PolarHBondContact O-N 3.08Å; V376-A379 PolarHBondContact O-N 3.06Å; V377-A379 VanDerWaalsContact C-N 3.31Å; V377-A379 PolarHBondContact O-N 2.93Å; A379-Q383 WeakPolarHBondContact O-CB 3.41Å; A379-Q383 PolarHBondContact O-N 2.61Å |
| 380 | Q | 93.3 | Very high | 93.6 | Very high | 107 Ų | 107 | 91.7 Ų | 91.7 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.9 | -73.7 | 176.2 | -6.9 | 0 | 0 | 112.2 | V376 V377 Q383 I384 | V376-Q380 WeakPolarHBondContact O-CG 3.49Å; V376-Q380 PolarHBondContact O-N 2.79Å; V377-Q380 PolarHBondContact O-N 3.13Å; V377-Q380 VanDerWaalsContact O-N 3.16Å; Q380-Q383 PolarHBondContact O-N 3.41Å; Q380-I384 VanDerWaalsContact O-CG1 3.28Å; Q380-I384 WeakPolarHBondContact O-CG1 3.38Å; Q380-I384 PolarHBondContact O-N 2.86Å |
| 381 | E | 93.9 | Very high | 93.6 | Very high | 112 Ų | 112 | 92.4 Ų | 92.4 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.1 | -74.8 | -177 | 164.7 | 0 | 0 | 111.9 | V377 I384 Q385 | V377-E381 HydrophobicContact CG1-CG 4.39Å; V377-E381 WeakPolarHBondContact O-CG 3.27Å; V377-E381 PolarHBondContact O-N 2.79Å; E381-I384 PolarHBondContact O-N 3.41Å; E381-Q385 WeakPolarHBondContact O-CG 3.39Å; E381-Q385 PolarHBondContact O-N 3.05Å |
| 382 | A | 93.8 | Very high | 93.6 | Very high | 53 Ų | 53 | 91.8 Ų | 91.8 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | A378 I384 Q385 E386 | A378-A382 WeakPolarHBondContact O-CB 3.24Å; A378-A382 PolarHBondContact O-N 3.38Å; A382-I384 PolarHBondContact O-N 3.05Å; A382-Q385 PolarHBondContact O-N 2.9Å; A382-E386 PolarHBondContact O-N 2.81Å |
| 383 | Q | 95.4 | Very high | 93.7 | Very high | 121 Ų | 121 | 92.1 Ų | 92.1 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -36.5 | 177.8 | -166.7 | 172.9 | 40.6 | 0 | 0 | 112.6 | A379 Q380 E386 L387 | A379-Q383 WeakPolarHBondContact O-CB 3.41Å; A379-Q383 PolarHBondContact O-N 2.61Å; Q380-Q383 PolarHBondContact O-N 3.41Å; Q383-E386 PolarHBondContact O-N 2.81Å; Q383-L387 WeakPolarHBondContact O-CB 3.25Å; Q383-L387 VanDerWaalsContact O-CG 3.29Å; Q383-L387 WeakPolarHBondContact O-CG 3.3Å; Q383-L387 PolarHBondContact O-N 3.47Å |
| 384 | I | 93.8 | Very high | 93.8 | Very high | 104 Ų | 104 | 92 Ų | 92 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 173.2 | -70.3 | 164.5 | 0 | 0 | 0 | 110.7 | Q380 E381 A382 L387 V388 | Q380-I384 VanDerWaalsContact O-CG1 3.28Å; Q380-I384 WeakPolarHBondContact O-CG1 3.38Å; Q380-I384 PolarHBondContact O-N 2.86Å; E381-I384 PolarHBondContact O-N 3.41Å; A382-I384 PolarHBondContact O-N 3.05Å; I384-L387 PolarHBondContact O-N 2.88Å; I384-V388 HydrophobicContact CG2-CG2 4.46Å; I384-V388 VanDerWaalsContact O-CG2 3.3Å; I384-V388 WeakPolarHBondContact O-CG2 3.27Å; I384-V388 PolarHBondContact O-N 3.16Å |
| 385 | Q | 94.3 | Very high | 93.8 | Very high | 137 Ų | 137 | 89.2 Ų | 89.2 | 64% | 0.64 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 176.9 | -71.6 | 176.5 | 23.1 | 0 | 0 | 112 | E381 A382 V388 A389 | E381-Q385 WeakPolarHBondContact O-CG 3.39Å; E381-Q385 PolarHBondContact O-N 3.05Å; A382-Q385 PolarHBondContact O-N 2.9Å; Q385-V388 PolarHBondContact O-N 2.95Å; Q385-A389 PolarHBondContact O-N 2.98Å |
| 386 | E | 94.5 | Very high | 93.9 | Very high | 144 Ų | 144 | 93.2 Ų | 93.2 | 67% | 0.673 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 176.1 | -168.7 | 171.4 | -147.6 | 0 | 0 | 111.8 | A382 Q383 V388 A389 A390 | A382-E386 PolarHBondContact O-N 2.81Å; Q383-E386 PolarHBondContact O-N 2.81Å; E386-V388 PolarHBondContact O-N 3.37Å; E386-A389 PolarHBondContact O-N 3.41Å; E386-A390 WeakPolarHBondContact O-CB 3.47Å; E386-A390 PolarHBondContact O-N 3.43Å |
| 387 | L | 93.5 | Very high | 93.9 | Very high | 116 Ų | 116 | 93.6 Ų | 93.6 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -37.7 | 173.4 | -73.4 | 170.5 | 0 | 0 | 0 | 112.9 | Q383 I384 N391 | Q383-L387 WeakPolarHBondContact O-CB 3.25Å; Q383-L387 VanDerWaalsContact O-CG 3.29Å; Q383-L387 WeakPolarHBondContact O-CG 3.3Å; Q383-L387 PolarHBondContact O-N 3.47Å; I384-L387 PolarHBondContact O-N 2.88Å; L387-N391 VanDerWaalsContact O-CB 3.29Å; L387-N391 WeakPolarHBondContact O-CB 3.25Å; L387-N391 PolarHBondContact O-N 2.8Å |
| 388 | V | 94.2 | Very high | 94.1 | Very high | 73 Ų | 73 | 96.6 Ų | 96.6 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 175.3 | 167.8 | 0 | 0 | 0 | 0 | 111 | I384 Q385 E386 N391 Q392 | I384-V388 HydrophobicContact CG2-CG2 4.46Å; I384-V388 VanDerWaalsContact O-CG2 3.3Å; I384-V388 WeakPolarHBondContact O-CG2 3.27Å; I384-V388 PolarHBondContact O-N 3.16Å; Q385-V388 PolarHBondContact O-N 2.95Å; E386-V388 PolarHBondContact O-N 3.37Å; V388-N391 PolarHBondContact O-N 2.88Å; V388-Q392 WeakPolarHBondContact O-CG 3.3Å; V388-Q392 PolarHBondContact O-N 3.2Å |
| 389 | A | 94.3 | Very high | 94.1 | Very high | 53 Ų | 53 | 99.4 Ų | 99.4 | 44% | 0.438 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q385 E386 N391 Q392 E393 | Q385-A389 PolarHBondContact O-N 2.98Å; E386-A389 PolarHBondContact O-N 3.41Å; A389-N391 VanDerWaalsContact C-N 3.29Å; A389-N391 PolarHBondContact O-N 2.93Å; A389-Q392 PolarHBondContact O-N 3.37Å; A389-Q392 VanDerWaalsContact O-N 3.16Å; A389-E393 PolarHBondContact O-N 2.88Å |
| 390 | A | 93.8 | Very high | 94.2 | Very high | 55 Ų | 55 | 102.7 Ų | 102.7 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E386 S394 | E386-A390 WeakPolarHBondContact O-CB 3.47Å; E386-A390 PolarHBondContact O-N 3.43Å; A390-S394 VanDerWaalsContact O-CB 3.3Å; A390-S394 WeakPolarHBondContact O-CB 3.4Å; A390-S394 PolarHBondContact O-N 3.31Å |
| 391 | N | 93.2 | Very high | 94.2 | Very high | 115 Ų | 115 | 99.6 Ų | 99.6 | 62% | 0.615 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.5 | -36.5 | 176 | -171.2 | 44 | 0 | 0 | 0 | 112.6 | L387 V388 A389 S395 | L387-N391 VanDerWaalsContact O-CB 3.29Å; L387-N391 WeakPolarHBondContact O-CB 3.25Å; L387-N391 PolarHBondContact O-N 2.8Å; V388-N391 PolarHBondContact O-N 2.88Å; A389-N391 VanDerWaalsContact C-N 3.29Å; A389-N391 PolarHBondContact O-N 2.93Å; N391-S395 WeakPolarHBondContact O-CB 3.49Å; N391-S395 PolarHBondContact O-N 3.19Å |
| 392 | Q | 94.4 | Very high | 94.3 | Very high | 122 Ų | 122 | 98.6 Ų | 98.6 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 172.7 | -72.9 | 174.7 | 9.3 | 0 | 0 | 111.5 | V388 A389 S395 H396 | V388-Q392 WeakPolarHBondContact O-CG 3.3Å; V388-Q392 PolarHBondContact O-N 3.2Å; A389-Q392 PolarHBondContact O-N 3.37Å; A389-Q392 VanDerWaalsContact O-N 3.16Å; Q392-S395 PolarHBondContact O-N 2.93Å; Q392-H396 PolarHBondContact O-CD2 2.82Å; Q392-H396 VanDerWaalsContact O-CD2 3.32Å; Q392-H396 PolarHBondContact O-N 3.3Å |
| 393 | E | 93.9 | Very high | 94.4 | Very high | 138 Ų | 138 | 98.8 Ų | 98.8 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 176.1 | -171.3 | 168.5 | -156.4 | 0 | 0 | 111.3 | A389 S395 H396 V397 | A389-E393 PolarHBondContact O-N 2.88Å; E393-S395 VanDerWaalsContact C-N 3.35Å; E393-S395 PolarHBondContact O-N 2.85Å; E393-H396 PolarHBondContact O-N 3.27Å; E393-H396 VanDerWaalsContact O-N 3.12Å; E393-V397 WeakPolarHBondContact O-CG2 3.46Å; E393-V397 PolarHBondContact O-N 2.95Å |
| 394 | S | 93.3 | Very high | 94.4 | Very high | 65 Ų | 65 | 96.5 Ų | 96.5 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 173 | -177 | 0 | 0 | 0 | 0 | 112.3 | A390 H396 V397 Q398 | A390-S394 VanDerWaalsContact O-CB 3.3Å; A390-S394 WeakPolarHBondContact O-CB 3.4Å; A390-S394 PolarHBondContact O-N 3.31Å; S394-H396 PolarHBondContact O-N 2.89Å; S394-V397 PolarHBondContact O-N 3.44Å; S394-Q398 WeakPolarHBondContact O-CB 3.4Å; S394-Q398 PolarHBondContact O-N 3.03Å |
| 395 | S | 94.4 | Very high | 94.4 | Very high | 56 Ų | 56 | 97.6 Ų | 97.6 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 112.6 | N391 Q392 E393 Q399 | N391-S395 WeakPolarHBondContact O-CB 3.49Å; N391-S395 PolarHBondContact O-N 3.19Å; Q392-S395 PolarHBondContact O-N 2.93Å; E393-S395 VanDerWaalsContact C-N 3.35Å; E393-S395 PolarHBondContact O-N 2.85Å; S395-Q399 WeakPolarHBondContact O-CB 3.31Å; S395-Q399 VanDerWaalsContact O-CG 3.31Å; S395-Q399 WeakPolarHBondContact O-CG 3.33Å; S395-Q399 PolarHBondContact O-N 3.13Å |
| 396 | H | 95.2 | Very high | 94.5 | Very high | 128 Ų | 128 | 97.2 Ų | 97.2 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67 | -45.5 | 176.4 | -86.8 | -63.4 | 0 | 0 | 0 | 111.9 | Q392 E393 S394 Q398 Q399 Q400 | Q392-H396 PolarHBondContact O-CD2 2.82Å; Q392-H396 VanDerWaalsContact O-CD2 3.32Å; Q392-H396 PolarHBondContact O-N 3.3Å; E393-H396 PolarHBondContact O-N 3.27Å; E393-H396 VanDerWaalsContact O-N 3.12Å; S394-H396 PolarHBondContact O-N 2.89Å; H396-Q398 VanDerWaalsContact C-N 3.31Å; H396-Q398 PolarHBondContact O-N 3.05Å; H396-Q399 PolarHBondContact O-N 3.49Å; H396-Q400 WeakPolarHBondContact O-CB 3.47Å; H396-Q400 PolarHBondContact O-N 2.84Å |
| 397 | V | 93.9 | Very high | 94.6 | Very high | 87 Ų | 87 | 96.2 Ų | 96.2 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | E393 S394 Q400 A401 | E393-V397 WeakPolarHBondContact O-CG2 3.46Å; E393-V397 PolarHBondContact O-N 2.95Å; S394-V397 PolarHBondContact O-N 3.44Å; V397-Q400 PolarHBondContact O-N 3.23Å; V397-A401 WeakPolarHBondContact O-CB 3.28Å; V397-A401 PolarHBondContact O-N 3.43Å |
| 398 | Q | 95.1 | Very high | 94.7 | Very high | 126 Ų | 126 | 96.9 Ų | 96.9 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.9 | -37.1 | 179 | -170.4 | 162.2 | 7.8 | 0 | 0 | 112.8 | S394 H396 A401 L402 | S394-Q398 WeakPolarHBondContact O-CB 3.4Å; S394-Q398 PolarHBondContact O-N 3.03Å; H396-Q398 VanDerWaalsContact C-N 3.31Å; H396-Q398 PolarHBondContact O-N 3.05Å; Q398-A401 PolarHBondContact O-N 2.92Å; Q398-L402 HydrophobicContact CG-CD1 4.49Å; Q398-L402 WeakPolarHBondContact O-CG 3.31Å; Q398-L402 PolarHBondContact O-N 2.8Å |
| 399 | Q | 94.9 | Very high | 94.8 | Very high | 115 Ų | 115 | 98.2 Ų | 98.2 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 170.8 | -75.3 | 175.2 | 9.4 | 0 | 0 | 111.8 | S395 H396 L402 A403 | S395-Q399 WeakPolarHBondContact O-CB 3.31Å; S395-Q399 VanDerWaalsContact O-CG 3.31Å; S395-Q399 WeakPolarHBondContact O-CG 3.33Å; S395-Q399 PolarHBondContact O-N 3.13Å; H396-Q399 PolarHBondContact O-N 3.49Å; Q399-L402 PolarHBondContact O-N 3.41Å; Q399-A403 WeakPolarHBondContact O-CB 3.35Å; Q399-A403 PolarHBondContact O-N 3.41Å |
| 400 | Q | 94.8 | Very high | 94.9 | Very high | 129 Ų | 129 | 101.9 Ų | 101.9 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 176.4 | -169.9 | 175.8 | 16 | 0 | 0 | 111.8 | H396 V397 A403 L404 | H396-Q400 WeakPolarHBondContact O-CB 3.47Å; H396-Q400 PolarHBondContact O-N 2.84Å; V397-Q400 PolarHBondContact O-N 3.23Å; Q400-A403 PolarHBondContact O-N 3.47Å; Q400-L404 HydrophobicContact CG-CD1 4.36Å; Q400-L404 WeakPolarHBondContact O-CG 3.45Å; Q400-L404 PolarHBondContact O-N 3.36Å |
| 401 | A | 93.9 | Very high | 95.1 | Very high | 42 Ų | 42 | 107.5 Ų | 107.5 | 35% | 0.347 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V397 Q398 A403 L404 E405 | V397-A401 WeakPolarHBondContact O-CB 3.28Å; V397-A401 PolarHBondContact O-N 3.43Å; Q398-A401 PolarHBondContact O-N 2.92Å; A401-A403 VanDerWaalsContact C-N 3.33Å; A401-A403 PolarHBondContact O-N 2.86Å; A401-L404 PolarHBondContact O-N 3.36Å; A401-E405 WeakPolarHBondContact O-CG 3.49Å; A401-E405 PolarHBondContact O-N 3.35Å |
| 402 | L | 95.5 | Very high | 95.2 | Very high | 92 Ų | 92 | 105.3 Ų | 105.3 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 177 | -72.4 | 168.6 | 0 | 0 | 0 | 112.8 | Q398 Q399 E405 Q406 | Q398-L402 HydrophobicContact CG-CD1 4.49Å; Q398-L402 WeakPolarHBondContact O-CG 3.31Å; Q398-L402 PolarHBondContact O-N 2.8Å; Q399-L402 PolarHBondContact O-N 3.41Å; L402-E405 PolarHBondContact O-N 2.97Å; L402-Q406 WeakPolarHBondContact O-CG 3.35Å; L402-Q406 PolarHBondContact O-N 3.46Å |
| 403 | A | 95.3 | Very high | 95.3 | Very high | 56 Ų | 56 | 104.6 Ų | 104.6 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q399 Q400 A401 Q407 | Q399-A403 WeakPolarHBondContact O-CB 3.35Å; Q399-A403 PolarHBondContact O-N 3.41Å; Q400-A403 PolarHBondContact O-N 3.47Å; A401-A403 VanDerWaalsContact C-N 3.33Å; A401-A403 PolarHBondContact O-N 2.86Å; A403-Q407 PolarHBondContact O-N 3.46Å |
| 404 | L | 95.7 | Very high | 95.4 | Very high | 74 Ų | 74 | 100.4 Ų | 100.4 | 39% | 0.387 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 174 | -72.6 | 169.2 | 0 | 0 | 0 | 111.7 | Q400 A401 Q406 Q407 F408 | Q400-L404 HydrophobicContact CG-CD1 4.36Å; Q400-L404 WeakPolarHBondContact O-CG 3.45Å; Q400-L404 PolarHBondContact O-N 3.36Å; A401-L404 PolarHBondContact O-N 3.36Å; L404-Q406 PolarHBondContact O-N 3.37Å; L404-Q407 PolarHBondContact O-N 2.97Å; L404-F408 HydrophobicContact CB-CD2 4.47Å; L404-F408 HydrophobicContact CB-CE2 4.31Å; L404-F408 WeakPolarHBondContact O-CD2 3.48Å; L404-F408 PolarHBondContact O-N 2.88Å |
| 405 | E | 95.3 | Very high | 95.5 | Very high | 126 Ų | 126 | 101.5 Ų | 101.5 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.5 | -44.8 | 174.4 | -76.6 | -179.5 | 172.6 | 0 | 0 | 111.9 | A401 L402 F408 L409 | A401-E405 WeakPolarHBondContact O-CG 3.49Å; A401-E405 PolarHBondContact O-N 3.35Å; L402-E405 PolarHBondContact O-N 2.97Å; E405-F408 PolarHBondContact O-N 2.88Å; E405-L409 WeakPolarHBondContact O-CB 3.49Å; E405-L409 PolarHBondContact O-N 3.31Å |
| 406 | Q | 95.7 | Very high | 95.6 | Very high | 129 Ų | 129 | 104.1 Ų | 104.1 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.9 | -45.9 | 173 | -77.3 | -175.3 | -12.5 | 0 | 0 | 111.8 | L402 L404 F408 L409 E410 | L402-Q406 WeakPolarHBondContact O-CG 3.35Å; L402-Q406 PolarHBondContact O-N 3.46Å; L404-Q406 PolarHBondContact O-N 3.37Å; Q406-F408 VanDerWaalsContact C-N 3.33Å; Q406-F408 PolarHBondContact O-N 2.9Å; Q406-L409 PolarHBondContact O-N 2.86Å; Q406-E410 WeakPolarHBondContact O-CG 3.49Å; Q406-E410 PolarHBondContact O-N 3.29Å |
| 407 | Q | 96.4 | Very high | 95.7 | Very high | 123 Ų | 123 | 100.9 Ų | 100.9 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | 178.4 | -168.6 | -178.8 | 25.3 | 0 | 0 | 112.5 | A403 L404 R411 | A403-Q407 PolarHBondContact O-N 3.46Å; L404-Q407 PolarHBondContact O-N 2.97Å; Q407-R411 VanDerWaalsContact O-CB 3.27Å; Q407-R411 WeakPolarHBondContact O-CB 3.44Å; Q407-R411 PolarHBondContact O-N 3.47Å; Q407-R411 VanDerWaalsContact O-N 3.07Å |
| 408 | F | 95.1 | Very high | 95.8 | Very high | 131 Ų | 131 | 102.4 Ų | 102.4 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.6 | -38 | 174.6 | -73.8 | -59.6 | 0 | 0 | 0 | 112.2 | L404 E405 Q406 R411 T412 | L404-F408 HydrophobicContact CB-CD2 4.47Å; L404-F408 HydrophobicContact CB-CE2 4.31Å; L404-F408 WeakPolarHBondContact O-CD2 3.48Å; L404-F408 PolarHBondContact O-N 2.88Å; E405-F408 PolarHBondContact O-N 2.88Å; Q406-F408 VanDerWaalsContact C-N 3.33Å; Q406-F408 PolarHBondContact O-N 2.9Å; F408-R411 PolarHBondContact O-N 3.18Å; F408-T412 WeakPolarHBondContact O-CB 3.29Å; F408-T412 PolarHBondContact O-N 2.83Å; F408-T412 PolarHBondContact O-OG1 3.31Å |
| 409 | L | 96.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 100.8 Ų | 100.8 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 176.1 | -177.6 | 65.1 | 0 | 0 | 0 | 111.4 | E405 Q406 R411 T412 Q413 | E405-L409 WeakPolarHBondContact O-CB 3.49Å; E405-L409 PolarHBondContact O-N 3.31Å; Q406-L409 PolarHBondContact O-N 2.86Å; L409-R411 VanDerWaalsContact C-N 3.32Å; L409-R411 PolarHBondContact O-N 3.17Å; L409-T412 PolarHBondContact O-N 3.44Å; L409-T412 VanDerWaalsContact O-N 3.15Å; L409-Q413 WeakPolarHBondContact O-CG 3.41Å; L409-Q413 PolarHBondContact O-N 3.02Å |
| 410 | E | 96.3 | Very high | 96 | Very high | 131 Ų | 131 | 98 Ų | 98 | 61% | 0.612 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.5 | -43.4 | 176 | -72.7 | -179.6 | 174.3 | 0 | 0 | 111.7 | Q406 T412 Q413 A414 | Q406-E410 WeakPolarHBondContact O-CG 3.49Å; Q406-E410 PolarHBondContact O-N 3.29Å; E410-T412 VanDerWaalsContact C-N 3.34Å; E410-T412 PolarHBondContact O-N 2.86Å; E410-Q413 PolarHBondContact O-N 3.49Å; E410-A414 WeakPolarHBondContact O-CB 3.37Å; E410-A414 PolarHBondContact O-N 3.28Å |
| 411 | R | 97.3 | Very high | 96 | Very high | 172 Ų | 172 | 94.4 Ų | 94.4 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -37.2 | 176.5 | -174.7 | 171.3 | -178.6 | 160.2 | 0.3 | 112.3 | Q407 F408 L409 L415 | Q407-R411 VanDerWaalsContact O-CB 3.27Å; Q407-R411 WeakPolarHBondContact O-CB 3.44Å; Q407-R411 PolarHBondContact O-N 3.47Å; Q407-R411 VanDerWaalsContact O-N 3.07Å; F408-R411 PolarHBondContact O-N 3.18Å; L409-R411 VanDerWaalsContact C-N 3.32Å; L409-R411 PolarHBondContact O-N 3.17Å; R411-L415 HydrophobicContact CG-CD1 4.31Å; R411-L415 VanDerWaalsContact O-CG 3.3Å; R411-L415 WeakPolarHBondContact O-CG 3.48Å; R411-L415 PolarHBondContact O-N 3.21Å |
| 412 | T | 95.9 | Very high | 96.1 | Very high | 69 Ų | 69 | 98.2 Ų | 98.2 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -49.8 | 176.3 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | F408 L409 E410 A414 L415 E416 | F408-T412 WeakPolarHBondContact O-CB 3.29Å; F408-T412 PolarHBondContact O-N 2.83Å; F408-T412 PolarHBondContact O-OG1 3.31Å; L409-T412 PolarHBondContact O-N 3.44Å; L409-T412 VanDerWaalsContact O-N 3.15Å; E410-T412 VanDerWaalsContact C-N 3.34Å; E410-T412 PolarHBondContact O-N 2.86Å; T412-A414 VanDerWaalsContact C-N 3.3Å; T412-A414 PolarHBondContact O-N 3.25Å; T412-L415 PolarHBondContact O-N 2.9Å; T412-L415 VanDerWaalsContact O-N 3.09Å; T412-E416 HydrophobicContact CG2-CG 4.46Å; T412-E416 WeakPolarHBondContact O-CG 3.38Å; T412-E416 PolarHBondContact O-N 3.38Å |
| 413 | Q | 96.3 | Very high | 96.1 | Very high | 107 Ų | 107 | 99.5 Ų | 99.5 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -38.6 | 176.5 | -69.8 | 175.9 | 7.1 | 0 | 0 | 112.5 | L409 E410 E416 A417 | L409-Q413 WeakPolarHBondContact O-CG 3.41Å; L409-Q413 PolarHBondContact O-N 3.02Å; E410-Q413 PolarHBondContact O-N 3.49Å; Q413-E416 PolarHBondContact O-N 3.01Å; Q413-A417 WeakPolarHBondContact O-CB 3.44Å; Q413-A417 PolarHBondContact O-N 2.73Å |
| 414 | A | 96.8 | Very high | 96.2 | Very high | 51 Ų | 51 | 105.5 Ų | 105.5 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E410 T412 Q418 | E410-A414 WeakPolarHBondContact O-CB 3.37Å; E410-A414 PolarHBondContact O-N 3.28Å; T412-A414 VanDerWaalsContact C-N 3.3Å; T412-A414 PolarHBondContact O-N 3.25Å; A414-Q418 WeakPolarHBondContact O-CG 3.48Å; A414-Q418 PolarHBondContact O-N 3.32Å; A414-Q418 VanDerWaalsContact O-N 3.12Å |
| 415 | L | 96.3 | Very high | 96.2 | Very high | 88 Ų | 88 | 104.2 Ų | 104.2 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.1 | -42.3 | 174.9 | -72 | 170 | 0 | 0 | 0 | 111.8 | R411 T412 A417 Q418 I419 | R411-L415 HydrophobicContact CG-CD1 4.31Å; R411-L415 VanDerWaalsContact O-CG 3.3Å; R411-L415 WeakPolarHBondContact O-CG 3.48Å; R411-L415 PolarHBondContact O-N 3.21Å; T412-L415 PolarHBondContact O-N 2.9Å; T412-L415 VanDerWaalsContact O-N 3.09Å; L415-A417 VanDerWaalsContact C-N 3.34Å; L415-A417 PolarHBondContact O-N 2.95Å; L415-Q418 WeakPolarHBondContact O-CB 3.34Å; L415-Q418 PolarHBondContact O-N 2.91Å; L415-Q418 VanDerWaalsContact O-N 3.16Å; L415-I419 WeakPolarHBondContact O-CG1 3.42Å; L415-I419 PolarHBondContact O-N 3.11Å |
| 416 | E | 96.5 | Very high | 96.2 | Very high | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 173.2 | -72.7 | 174.1 | 170.3 | 0 | 0 | 111.5 | T412 Q413 Q418 I419 V420 | T412-E416 HydrophobicContact CG2-CG 4.46Å; T412-E416 WeakPolarHBondContact O-CG 3.38Å; T412-E416 PolarHBondContact O-N 3.38Å; Q413-E416 PolarHBondContact O-N 3.01Å; E416-Q418 VanDerWaalsContact C-N 3.32Å; E416-Q418 PolarHBondContact O-N 3.11Å; E416-I419 PolarHBondContact O-N 3.06Å; E416-V420 WeakPolarHBondContact O-CG2 3.48Å; E416-V420 PolarHBondContact O-N 3.45Å |
| 417 | A | 95.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 103.5 Ų | 103.5 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q413 L415 A421 | Q413-A417 WeakPolarHBondContact O-CB 3.44Å; Q413-A417 PolarHBondContact O-N 2.73Å; L415-A417 VanDerWaalsContact C-N 3.34Å; L415-A417 PolarHBondContact O-N 2.95Å; A417-A421 WeakPolarHBondContact O-CB 3.48Å; A417-A421 PolarHBondContact O-N 2.93Å |
| 418 | Q | 97.4 | Very high | 96.2 | Very high | 118 Ų | 118 | 99.9 Ų | 99.9 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.7 | -42.2 | 173.1 | -75.3 | 179.8 | 26.2 | 0 | 0 | 112.3 | A414 L415 E416 A421 L422 | A414-Q418 WeakPolarHBondContact O-CG 3.48Å; A414-Q418 PolarHBondContact O-N 3.32Å; A414-Q418 VanDerWaalsContact O-N 3.12Å; L415-Q418 WeakPolarHBondContact O-CB 3.34Å; L415-Q418 PolarHBondContact O-N 2.91Å; L415-Q418 VanDerWaalsContact O-N 3.16Å; E416-Q418 VanDerWaalsContact C-N 3.32Å; E416-Q418 PolarHBondContact O-N 3.11Å; Q418-A421 PolarHBondContact O-N 2.88Å; Q418-L422 WeakPolarHBondContact O-CB 3.44Å; Q418-L422 VanDerWaalsContact O-CG 3.31Å; Q418-L422 WeakPolarHBondContact O-CG 3.31Å; Q418-L422 PolarHBondContact O-N 2.92Å |
| 419 | I | 95.6 | Very high | 96.1 | Very high | 93 Ų | 93 | 98.8 Ų | 98.8 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.9 | -50.7 | 175.9 | -69.5 | 164.1 | 0 | 0 | 0 | 109.8 | L415 E416 A421 L422 E423 | L415-I419 WeakPolarHBondContact O-CG1 3.42Å; L415-I419 PolarHBondContact O-N 3.11Å; E416-I419 PolarHBondContact O-N 3.06Å; I419-A421 VanDerWaalsContact C-N 3.29Å; I419-A421 PolarHBondContact O-N 3.49Å; I419-L422 PolarHBondContact O-N 3.09Å; I419-L422 VanDerWaalsContact O-N 3.14Å; I419-E423 HydrophobicContact CG2-CG 4.33Å; I419-E423 WeakPolarHBondContact O-CB 3.46Å; I419-E423 WeakPolarHBondContact O-CG 3.09Å; I419-E423 PolarHBondContact O-N 3.48Å |
| 420 | V | 97.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 99.1 Ų | 99.1 | 33% | 0.333 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -35 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 112.2 | E416 R424 | E416-V420 WeakPolarHBondContact O-CG2 3.48Å; E416-V420 PolarHBondContact O-N 3.45Å; V420-R424 VanDerWaalsContact CG1-CZ 3.48Å; V420-R424 WeakPolarHBondContact O-CB 3.32Å; V420-R424 VanDerWaalsContact O-CG 3.28Å; V420-R424 WeakPolarHBondContact O-CG 3.32Å; V420-R424 PolarHBondContact O-N 3.43Å; V420-R424 VanDerWaalsContact O-N 3.09Å |
| 421 | A | 96.1 | Very high | 96.1 | Very high | 54 Ų | 54 | 96.1 Ų | 96.1 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A417 Q418 I419 R424 A425 | A417-A421 WeakPolarHBondContact O-CB 3.48Å; A417-A421 PolarHBondContact O-N 2.93Å; Q418-A421 PolarHBondContact O-N 2.88Å; I419-A421 VanDerWaalsContact C-N 3.29Å; I419-A421 PolarHBondContact O-N 3.49Å; A421-R424 PolarHBondContact O-N 2.83Å; A421-A425 WeakPolarHBondContact O-CB 3.48Å; A421-A425 PolarHBondContact O-N 2.88Å |
| 422 | L | 95.3 | Very high | 96 | Very high | 122 Ų | 122 | 91.8 Ų | 91.8 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.2 | -38.6 | 176.5 | -71.2 | 170 | 0 | 0 | 0 | 112.2 | Q418 I419 A425 R426 | Q418-L422 WeakPolarHBondContact O-CB 3.44Å; Q418-L422 VanDerWaalsContact O-CG 3.31Å; Q418-L422 WeakPolarHBondContact O-CG 3.31Å; Q418-L422 PolarHBondContact O-N 2.92Å; I419-L422 PolarHBondContact O-N 3.09Å; I419-L422 VanDerWaalsContact O-N 3.14Å; L422-A425 PolarHBondContact O-N 2.8Å; L422-R426 VanDerWaalsContact O-CB 3.31Å; L422-R426 WeakPolarHBondContact O-CB 3.43Å; L422-R426 PolarHBondContact O-N 3.23Å |
| 423 | E | 95.8 | Very high | 95.9 | Very high | 120 Ų | 120 | 91.4 Ų | 91.4 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 173.8 | -74.6 | 178.3 | 161.2 | 0 | 0 | 111.7 | I419 R426 A427 | I419-E423 HydrophobicContact CG2-CG 4.33Å; I419-E423 WeakPolarHBondContact O-CB 3.46Å; I419-E423 WeakPolarHBondContact O-CG 3.09Å; I419-E423 PolarHBondContact O-N 3.48Å; E423-R426 PolarHBondContact O-N 3.24Å; E423-A427 WeakPolarHBondContact O-CB 3.46Å; E423-A427 PolarHBondContact O-N 3.06Å |
| 424 | R | 96.4 | Very high | 95.8 | Very high | 181 Ų | 181 | 89.5 Ų | 89.5 | 68% | 0.683 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | 174.6 | -74.4 | 173.1 | -176.4 | 154.2 | 4.4 | 112.6 | V420 A421 A427 A428 | V420-R424 VanDerWaalsContact CG1-CZ 3.48Å; V420-R424 WeakPolarHBondContact O-CB 3.32Å; V420-R424 VanDerWaalsContact O-CG 3.28Å; V420-R424 WeakPolarHBondContact O-CG 3.32Å; V420-R424 PolarHBondContact O-N 3.43Å; V420-R424 VanDerWaalsContact O-N 3.09Å; A421-R424 PolarHBondContact O-N 2.83Å; R424-A427 PolarHBondContact O-N 2.83Å; R424-A428 PolarHBondContact O-N 3.33Å |
| 425 | A | 96.2 | Very high | 95.8 | Very high | 47 Ų | 47 | 92.1 Ų | 92.1 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -49.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A421 L422 A427 A428 D429 | A421-A425 WeakPolarHBondContact O-CB 3.48Å; A421-A425 PolarHBondContact O-N 2.88Å; L422-A425 PolarHBondContact O-N 2.8Å; A425-A427 VanDerWaalsContact C-N 3.31Å; A425-A427 PolarHBondContact O-N 3.37Å; A425-A428 WeakPolarHBondContact O-CB 3.25Å; A425-A428 PolarHBondContact O-N 2.97Å; A425-A428 VanDerWaalsContact O-N 3.1Å; A425-D429 PolarHBondContact O-N 2.95Å |
| 426 | R | 95.3 | Very high | 95.8 | Very high | 189 Ų | 189 | 89.1 Ų | 89.1 | 71% | 0.713 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.1 | -39.4 | 176.2 | -174.9 | -178.4 | 179.3 | -165.2 | -0.1 | 112.7 | L422 E423 Q430 | L422-R426 VanDerWaalsContact O-CB 3.31Å; L422-R426 WeakPolarHBondContact O-CB 3.43Å; L422-R426 PolarHBondContact O-N 3.23Å; E423-R426 PolarHBondContact O-N 3.24Å; R426-Q430 WeakPolarHBondContact O-CB 3.26Å; R426-Q430 PolarHBondContact O-N 2.88Å |
| 427 | A | 95.7 | Very high | 95.7 | Very high | 52 Ų | 52 | 89.6 Ų | 89.6 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E423 R424 A425 Q430 T431 | E423-A427 WeakPolarHBondContact O-CB 3.46Å; E423-A427 PolarHBondContact O-N 3.06Å; R424-A427 PolarHBondContact O-N 2.83Å; A425-A427 VanDerWaalsContact C-N 3.31Å; A425-A427 PolarHBondContact O-N 3.37Å; A427-Q430 PolarHBondContact O-N 3.24Å; A427-T431 WeakPolarHBondContact O-CG2 3.46Å; A427-T431 PolarHBondContact O-N 3.5Å; A427-T431 PolarHBondContact O-OG1 3.09Å |
| 428 | A | 95.4 | Very high | 95.7 | Very high | 47 Ų | 47 | 92.5 Ų | 92.5 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | R424 A425 Q430 T431 T432 | R424-A428 PolarHBondContact O-N 3.33Å; A425-A428 WeakPolarHBondContact O-CB 3.25Å; A425-A428 PolarHBondContact O-N 2.97Å; A425-A428 VanDerWaalsContact O-N 3.1Å; A428-Q430 VanDerWaalsContact C-N 3.29Å; A428-Q430 PolarHBondContact O-N 3.37Å; A428-T431 PolarHBondContact O-N 3.48Å; A428-T431 PolarHBondContact O-OG1 2.82Å; A428-T432 PolarHBondContact O-N 3.4Å; A428-T432 PolarHBondContact O-OG1 2.94Å |
| 429 | D | 94.8 | Very high | 95.7 | Very high | 107 Ų | 107 | 92.4 Ų | 92.4 | 57% | 0.572 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.2 | -37.2 | 177.2 | -67.2 | -22.3 | 0 | 0 | 0 | 112.3 | A425 T432 A433 | A425-D429 PolarHBondContact O-N 2.95Å; D429-T432 WeakPolarHBondContact CA-OG1 3.36Å; D429-T432 PolarHBondContact O-OG1 3.4Å; D429-A433 VanDerWaalsContact O-CB 3.27Å; D429-A433 WeakPolarHBondContact O-CB 3.43Å; D429-A433 PolarHBondContact O-N 2.94Å |
| 430 | Q | 96.4 | Very high | 95.7 | Very high | 107 Ų | 107 | 92.8 Ų | 92.8 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 172.5 | -177.4 | 176.8 | -23.9 | 0 | 0 | 111.2 | R426 A427 A428 T432 A433 E434 | R426-Q430 WeakPolarHBondContact O-CB 3.26Å; R426-Q430 PolarHBondContact O-N 2.88Å; A427-Q430 PolarHBondContact O-N 3.24Å; A428-Q430 VanDerWaalsContact C-N 3.29Å; A428-Q430 PolarHBondContact O-N 3.37Å; Q430-T432 VanDerWaalsContact C-N 3.35Å; Q430-T432 PolarHBondContact O-N 3.28Å; Q430-A433 PolarHBondContact O-N 3.27Å; Q430-E434 HydrophobicContact CG-CG 4.42Å; Q430-E434 PolarHBondContact NE2-OE1 3.49Å; Q430-E434 WeakPolarHBondContact O-CB 3.49Å; Q430-E434 WeakPolarHBondContact O-CG 3.36Å; Q430-E434 PolarHBondContact O-N 3.04Å |
| 431 | T | 95.4 | Very high | 95.6 | Very high | 69 Ų | 69 | 95.9 Ų | 95.9 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 179.1 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | A427 A428 Q435 | A427-T431 WeakPolarHBondContact O-CG2 3.46Å; A427-T431 PolarHBondContact O-N 3.5Å; A427-T431 PolarHBondContact O-OG1 3.09Å; A428-T431 PolarHBondContact O-N 3.48Å; A428-T431 PolarHBondContact O-OG1 2.82Å; T431-Q435 WeakPolarHBondContact O-CB 3.27Å; T431-Q435 WeakPolarHBondContact O-CG 3.44Å; T431-Q435 PolarHBondContact O-N 2.91Å |
| 432 | T | 95.6 | Very high | 95.6 | Very high | 81 Ų | 81 | 100 Ų | 100 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72 | -39.9 | 175.2 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | A428 D429 Q430 Q435 G436 | A428-T432 PolarHBondContact O-N 3.4Å; A428-T432 PolarHBondContact O-OG1 2.94Å; D429-T432 WeakPolarHBondContact CA-OG1 3.36Å; D429-T432 PolarHBondContact O-OG1 3.4Å; Q430-T432 VanDerWaalsContact C-N 3.35Å; Q430-T432 PolarHBondContact O-N 3.28Å; T432-Q435 PolarHBondContact O-N 3.36Å; T432-G436 PolarHBondContact O-N 3.48Å |
| 433 | A | 93.3 | Very high | 95.6 | Very high | 61 Ų | 61 | 99.8 Ų | 99.8 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D429 Q430 Q435 G436 M437 | D429-A433 VanDerWaalsContact O-CB 3.27Å; D429-A433 WeakPolarHBondContact O-CB 3.43Å; D429-A433 PolarHBondContact O-N 2.94Å; Q430-A433 PolarHBondContact O-N 3.27Å; A433-Q435 PolarHBondContact O-N 3.28Å; A433-G436 PolarHBondContact O-N 2.96Å; A433-M437 WeakPolarHBondContact O-CB 3.36Å; A433-M437 PolarHBondContact O-N 3.48Å |
| 434 | E | 95.1 | Very high | 95.5 | Very high | 66 Ų | 66 | 99 Ų | 99 | 31% | 0.308 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -36.5 | 174.3 | -74.4 | -179.5 | -155.7 | 0 | 0 | 112.7 | Q430 R438 | Q430-E434 HydrophobicContact CG-CG 4.42Å; Q430-E434 PolarHBondContact NE2-OE1 3.49Å; Q430-E434 WeakPolarHBondContact O-CB 3.49Å; Q430-E434 WeakPolarHBondContact O-CG 3.36Å; Q430-E434 PolarHBondContact O-N 3.04Å; E434-R438 VanDerWaalsContact O-CG 3.3Å; E434-R438 WeakPolarHBondContact O-CG 3.37Å; E434-R438 PolarHBondContact O-N 3.01Å; E434-R438 IonicContact OE2-CZ 3.38Å; E434-R438 IonicContact OE2-NH1 3.96Å; E434-R438 IonicContact OE2-NH2 2.69Å; E434-R438 PolarHBondContact OE2-NH2 3.33Å |
| 435 | Q | 95.6 | Very high | 95.5 | Very high | 107 Ų | 107 | 92.7 Ų | 92.7 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 174.2 | -76.2 | 171.1 | 14.3 | 0 | 0 | 111.5 | T431 T432 A433 M437 R438 Q439 | T431-Q435 WeakPolarHBondContact O-CB 3.27Å; T431-Q435 WeakPolarHBondContact O-CG 3.44Å; T431-Q435 PolarHBondContact O-N 2.91Å; T432-Q435 PolarHBondContact O-N 3.36Å; A433-Q435 PolarHBondContact O-N 3.28Å; Q435-M437 VanDerWaalsContact C-N 3.35Å; Q435-M437 PolarHBondContact O-N 2.96Å; Q435-R438 PolarHBondContact O-N 2.95Å; Q435-Q439 WeakPolarHBondContact O-CG 3.33Å; Q435-Q439 PolarHBondContact O-N 2.84Å |
| 436 | G | 97.5 | Very high | 95.5 | Very high | 25 Ų | 25 | 93.1 Ų | 93.1 | 26% | 0.258 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T432 A433 Q439 L440 | T432-G436 PolarHBondContact O-N 3.48Å; A433-G436 PolarHBondContact O-N 2.96Å; G436-Q439 PolarHBondContact O-N 2.85Å; G436-L440 WeakPolarHBondContact O-CG 3.19Å; G436-L440 PolarHBondContact O-N 3.25Å |
| 437 | M | 93.9 | Very high | 95.5 | Very high | 120 Ų | 120 | 89.4 Ų | 89.4 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.7 | -48.6 | 173.9 | -173 | 179 | -67.7 | 0 | 0 | 111.5 | A433 Q435 Q439 L440 E441 | A433-M437 WeakPolarHBondContact O-CB 3.36Å; A433-M437 PolarHBondContact O-N 3.48Å; Q435-M437 VanDerWaalsContact C-N 3.35Å; Q435-M437 PolarHBondContact O-N 2.96Å; M437-Q439 VanDerWaalsContact C-N 3.3Å; M437-Q439 PolarHBondContact O-N 3.13Å; M437-L440 PolarHBondContact O-N 3.39Å; M437-E441 WeakPolarHBondContact O-CG 3.37Å; M437-E441 PolarHBondContact O-N 3.45Å |
| 438 | R | 96.4 | Very high | 95.6 | Very high | 122 Ų | 122 | 93.7 Ų | 93.7 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -35.1 | 177 | -70.3 | 175.4 | -164.4 | 110.9 | 5.6 | 112.8 | E434 Q435 Q442 | E434-R438 VanDerWaalsContact O-CG 3.3Å; E434-R438 WeakPolarHBondContact O-CG 3.37Å; E434-R438 PolarHBondContact O-N 3.01Å; E434-R438 IonicContact OE2-CZ 3.38Å; E434-R438 IonicContact OE2-NH1 3.96Å; E434-R438 IonicContact OE2-NH2 2.69Å; E434-R438 PolarHBondContact OE2-NH2 3.33Å; Q435-R438 PolarHBondContact O-N 2.95Å; R438-Q442 VanDerWaalsContact O-CG 3.31Å; R438-Q442 WeakPolarHBondContact O-CG 3.45Å; R438-Q442 PolarHBondContact O-N 2.99Å |
| 439 | Q | 96.8 | Very high | 95.6 | Very high | 116 Ų | 116 | 97.4 Ų | 97.4 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 174.2 | -74.8 | 171.8 | -3.5 | 0 | 0 | 111.1 | Q435 G436 M437 E441 Q442 E443 | Q435-Q439 WeakPolarHBondContact O-CG 3.33Å; Q435-Q439 PolarHBondContact O-N 2.84Å; G436-Q439 PolarHBondContact O-N 2.85Å; M437-Q439 VanDerWaalsContact C-N 3.3Å; M437-Q439 PolarHBondContact O-N 3.13Å; Q439-E441 VanDerWaalsContact C-N 3.3Å; Q439-E441 PolarHBondContact O-N 2.87Å; Q439-Q442 PolarHBondContact O-N 2.88Å; Q439-Q442 VanDerWaalsContact O-N 3.13Å; Q439-E443 WeakPolarHBondContact O-CG 3.35Å; Q439-E443 PolarHBondContact O-N 2.82Å |
| 440 | L | 95.1 | Very high | 95.6 | Very high | 101 Ų | 101 | 94.1 Ų | 94.1 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 175.9 | -70.4 | 171.1 | 0 | 0 | 0 | 112.4 | G436 M437 N444 | G436-L440 WeakPolarHBondContact O-CG 3.19Å; G436-L440 PolarHBondContact O-N 3.25Å; M437-L440 PolarHBondContact O-N 3.39Å; L440-N444 VanDerWaalsContact O-CB 3.3Å; L440-N444 WeakPolarHBondContact O-CB 3.39Å; L440-N444 PolarHBondContact O-N 3.14Å; L440-N444 PolarHBondContact O-ND2 3.32Å |
| 441 | E | 95.3 | Very high | 95.6 | Very high | 120 Ų | 120 | 92.4 Ų | 92.4 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 172.7 | -75.1 | 175.3 | 161.2 | 0 | 0 | 111.9 | M437 Q439 A445 | M437-E441 WeakPolarHBondContact O-CG 3.37Å; M437-E441 PolarHBondContact O-N 3.45Å; Q439-E441 VanDerWaalsContact C-N 3.3Å; Q439-E441 PolarHBondContact O-N 2.87Å; E441-A445 WeakPolarHBondContact O-CB 3.48Å; E441-A445 PolarHBondContact O-N 2.81Å |
| 442 | Q | 95.6 | Very high | 95.6 | Very high | 141 Ų | 141 | 91.8 Ų | 91.8 | 66% | 0.659 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.7 | -43 | 176 | -73.7 | 174.9 | 5.2 | 0 | 0 | 112.3 | R438 Q439 A445 A446 | R438-Q442 VanDerWaalsContact O-CG 3.31Å; R438-Q442 WeakPolarHBondContact O-CG 3.45Å; R438-Q442 PolarHBondContact O-N 2.99Å; Q439-Q442 PolarHBondContact O-N 2.88Å; Q439-Q442 VanDerWaalsContact O-N 3.13Å; Q442-A445 PolarHBondContact O-N 3.43Å; Q442-A446 PolarHBondContact O-N 3.4Å |
| 443 | E | 96.2 | Very high | 95.7 | Very high | 116 Ų | 116 | 93.5 Ų | 93.5 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.2 | -72.1 | 179.9 | 174.2 | 0 | 0 | 111.6 | Q439 A445 A446 L447 | Q439-E443 WeakPolarHBondContact O-CG 3.35Å; Q439-E443 PolarHBondContact O-N 2.82Å; E443-A445 VanDerWaalsContact C-N 3.33Å; E443-A445 PolarHBondContact O-N 2.7Å; E443-A446 PolarHBondContact O-N 2.9Å; E443-L447 WeakPolarHBondContact O-CB 3.23Å; E443-L447 VanDerWaalsContact O-CG 3.3Å; E443-L447 WeakPolarHBondContact O-CG 3.26Å; E443-L447 PolarHBondContact O-N 3.28Å |
| 444 | N | 93.6 | Very high | 95.8 | Very high | 103 Ų | 103 | 99 Ų | 99 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 173.9 | -84.8 | -73.5 | 0 | 0 | 0 | 112.3 | L440 K448 | L440-N444 VanDerWaalsContact O-CB 3.3Å; L440-N444 WeakPolarHBondContact O-CB 3.39Å; L440-N444 PolarHBondContact O-N 3.14Å; L440-N444 PolarHBondContact O-ND2 3.32Å; N444-K448 WeakPolarHBondContact O-CB 3.37Å; N444-K448 PolarHBondContact O-N 2.93Å |
| 445 | A | 96.4 | Very high | 95.8 | Very high | 49 Ų | 49 | 100.8 Ų | 100.8 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E441 Q442 E443 K448 E449 | E441-A445 WeakPolarHBondContact O-CB 3.48Å; E441-A445 PolarHBondContact O-N 2.81Å; Q442-A445 PolarHBondContact O-N 3.43Å; E443-A445 VanDerWaalsContact C-N 3.33Å; E443-A445 PolarHBondContact O-N 2.7Å; A445-K448 WeakPolarHBondContact O-CB 3.45Å; A445-K448 PolarHBondContact O-N 3.07Å; A445-E449 WeakPolarHBondContact O-CG 3.4Å; A445-E449 PolarHBondContact O-N 2.89Å |
| 446 | A | 96.1 | Very high | 95.9 | Very high | 57 Ų | 57 | 101.9 Ų | 101.9 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q442 E443 K448 E449 S450 | Q442-A446 PolarHBondContact O-N 3.4Å; E443-A446 PolarHBondContact O-N 2.9Å; A446-K448 VanDerWaalsContact C-N 3.33Å; A446-K448 PolarHBondContact O-N 3.4Å; A446-E449 PolarHBondContact O-N 2.92Å; A446-S450 PolarHBondContact O-N 2.84Å |
| 447 | L | 95.4 | Very high | 95.9 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.2 | -42.9 | 173.8 | -74.8 | 172 | 0 | 0 | 0 | 111.2 | E443 S450 S451 | E443-L447 WeakPolarHBondContact O-CB 3.23Å; E443-L447 VanDerWaalsContact O-CG 3.3Å; E443-L447 WeakPolarHBondContact O-CG 3.26Å; E443-L447 PolarHBondContact O-N 3.28Å; L447-S450 PolarHBondContact O-N 3.49Å; L447-S450 PolarHBondContact O-OG 3.22Å; L447-S451 WeakPolarHBondContact O-CB 3.34Å; L447-S451 PolarHBondContact O-N 2.88Å |
| 448 | K | 96.5 | Very high | 95.9 | Very high | 143 Ų | 143 | 102.2 Ų | 102.2 | 62% | 0.622 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 175.9 | -173 | 176.4 | -177.3 | 178.6 | 0 | 112 | N444 A445 A446 S451 N452 | N444-K448 WeakPolarHBondContact O-CB 3.37Å; N444-K448 PolarHBondContact O-N 2.93Å; A445-K448 WeakPolarHBondContact O-CB 3.45Å; A445-K448 PolarHBondContact O-N 3.07Å; A446-K448 VanDerWaalsContact C-N 3.33Å; A446-K448 PolarHBondContact O-N 3.4Å; K448-S451 PolarHBondContact O-N 3.33Å; K448-N452 PolarHBondContact O-N 2.98Å; K448-N452 PolarHBondContact O-ND2 2.96Å |
| 449 | E | 96 | Very high | 95.9 | Very high | 125 Ų | 125 | 101.2 Ų | 101.2 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -48 | 174.3 | -75.2 | 179.7 | 172.7 | 0 | 0 | 111.8 | A445 A446 S451 N452 E453 | A445-E449 WeakPolarHBondContact O-CG 3.4Å; A445-E449 PolarHBondContact O-N 2.89Å; A446-E449 PolarHBondContact O-N 2.92Å; E449-S451 VanDerWaalsContact C-N 3.33Å; E449-S451 PolarHBondContact O-N 2.86Å; E449-N452 WeakPolarHBondContact O-CB 3.23Å; E449-N452 PolarHBondContact O-N 3.43Å; E449-E453 WeakPolarHBondContact O-CG 3.46Å; E449-E453 PolarHBondContact O-N 3.46Å |
| 450 | S | 95.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 100.5 Ų | 100.5 | 27% | 0.266 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 175.9 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | A446 L447 E453 Y454 | A446-S450 PolarHBondContact O-N 2.84Å; L447-S450 PolarHBondContact O-N 3.49Å; L447-S450 PolarHBondContact O-OG 3.22Å; S450-E453 WeakPolarHBondContact O-CB 3.36Å; S450-E453 PolarHBondContact O-N 3.41Å; S450-E453 VanDerWaalsContact O-N 3.16Å; S450-Y454 WeakPolarHBondContact O-CD2 3.31Å; S450-Y454 PolarHBondContact O-N 3.3Å |
| 451 | S | 95.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 101.1 Ų | 101.1 | 49% | 0.49 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 174.8 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | L447 K448 E449 E453 Y454 E455 | L447-S451 WeakPolarHBondContact O-CB 3.34Å; L447-S451 PolarHBondContact O-N 2.88Å; K448-S451 PolarHBondContact O-N 3.33Å; E449-S451 VanDerWaalsContact C-N 3.33Å; E449-S451 PolarHBondContact O-N 2.86Å; S451-E453 VanDerWaalsContact C-N 3.28Å; S451-E453 PolarHBondContact O-N 2.93Å; S451-Y454 PolarHBondContact O-N 3.35Å; S451-E455 PolarHBondContact O-N 3.1Å |
| 452 | N | 96.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 100.1 Ų | 100.1 | 31% | 0.305 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -33.2 | 174.6 | -62 | -32.1 | 0 | 0 | 0 | 112.1 | K448 E449 R456 | K448-N452 PolarHBondContact O-N 2.98Å; K448-N452 PolarHBondContact O-ND2 2.96Å; E449-N452 WeakPolarHBondContact O-CB 3.23Å; E449-N452 PolarHBondContact O-N 3.43Å; N452-R456 WeakPolarHBondContact O-CB 3.38Å; N452-R456 VanDerWaalsContact O-CG 3.25Å; N452-R456 WeakPolarHBondContact O-CG 3.49Å; N452-R456 PolarHBondContact O-N 2.99Å |
| 453 | E | 97 | Very high | 95.9 | Very high | 116 Ų | 116 | 100.1 Ų | 100.1 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -45.1 | 174.5 | -74.6 | 176.3 | 175.4 | 0 | 0 | 112.2 | E449 S450 S451 E455 R456 S457 | E449-E453 WeakPolarHBondContact O-CG 3.46Å; E449-E453 PolarHBondContact O-N 3.46Å; S450-E453 WeakPolarHBondContact O-CB 3.36Å; S450-E453 PolarHBondContact O-N 3.41Å; S450-E453 VanDerWaalsContact O-N 3.16Å; S451-E453 VanDerWaalsContact C-N 3.28Å; S451-E453 PolarHBondContact O-N 2.93Å; E453-E455 VanDerWaalsContact C-N 3.31Å; E453-E455 PolarHBondContact O-N 2.99Å; E453-R456 PolarHBondContact O-N 2.93Å; E453-S457 WeakPolarHBondContact O-CB 3.43Å; E453-S457 PolarHBondContact O-N 3.22Å |
| 454 | Y | 94.6 | Very high | 95.9 | Very high | 176 Ų | 176 | 99.5 Ų | 99.5 | 69% | 0.69 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -39.5 | 172.8 | -68.6 | -57.7 | 0 | 0 | 0 | 111.8 | S450 S451 S457 L458 | S450-Y454 WeakPolarHBondContact O-CD2 3.31Å; S450-Y454 PolarHBondContact O-N 3.3Å; S451-Y454 PolarHBondContact O-N 3.35Å; Y454-S457 PolarHBondContact O-N 2.79Å; Y454-L458 VanDerWaalsContact O-CB 3.31Å; Y454-L458 WeakPolarHBondContact O-CB 3.47Å; Y454-L458 PolarHBondContact O-N 2.96Å |
| 455 | E | 96.6 | Very high | 96 | Very high | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 175.9 | -166.8 | -177.6 | 178.2 | 0 | 0 | 111.8 | S451 E453 S457 L458 Q459 | S451-E455 PolarHBondContact O-N 3.1Å; E453-E455 VanDerWaalsContact C-N 3.31Å; E453-E455 PolarHBondContact O-N 2.99Å; E455-S457 VanDerWaalsContact C-N 3.34Å; E455-S457 PolarHBondContact O-N 3Å; E455-L458 PolarHBondContact O-N 3.2Å; E455-Q459 VanDerWaalsContact O-CG 3.3Å; E455-Q459 WeakPolarHBondContact O-CG 3.39Å; E455-Q459 PolarHBondContact O-N 3.49Å; E455-Q459 PolarHBondContact OE1-NE2 2.81Å |
| 456 | R | 97.4 | Very high | 96 | Very high | 131 Ų | 131 | 102.7 Ų | 102.7 | 49% | 0.494 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 174.2 | -72.1 | 176.7 | -137.5 | 121.9 | -1.9 | 112 | N452 E453 Q459 N460 | N452-R456 WeakPolarHBondContact O-CB 3.38Å; N452-R456 VanDerWaalsContact O-CG 3.25Å; N452-R456 WeakPolarHBondContact O-CG 3.49Å; N452-R456 PolarHBondContact O-N 2.99Å; E453-R456 PolarHBondContact O-N 2.93Å; R456-Q459 PolarHBondContact O-N 3.24Å; R456-N460 VanDerWaalsContact O-CG 3.29Å; R456-N460 PolarHBondContact O-N 3.42Å; R456-N460 PolarHBondContact O-ND2 2.85Å |
| 457 | S | 96.6 | Very high | 96.1 | Very high | 53 Ų | 53 | 105 Ų | 105 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 176.9 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | E453 Y454 E455 Q459 N460 H461 | E453-S457 WeakPolarHBondContact O-CB 3.43Å; E453-S457 PolarHBondContact O-N 3.22Å; Y454-S457 PolarHBondContact O-N 2.79Å; E455-S457 VanDerWaalsContact C-N 3.34Å; E455-S457 PolarHBondContact O-N 3Å; S457-Q459 PolarHBondContact O-N 3.31Å; S457-N460 WeakPolarHBondContact O-CB 3.24Å; S457-N460 PolarHBondContact O-N 2.86Å; S457-H461 PolarHBondContact O-N 3.26Å |
| 458 | L | 94.9 | Very high | 96.1 | Very high | 98 Ų | 98 | 104.8 Ų | 104.8 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 174.7 | 178.8 | 62.3 | 0 | 0 | 0 | 112 | Y454 E455 N460 H461 Q462 | Y454-L458 VanDerWaalsContact O-CB 3.31Å; Y454-L458 WeakPolarHBondContact O-CB 3.47Å; Y454-L458 PolarHBondContact O-N 2.96Å; E455-L458 PolarHBondContact O-N 3.2Å; L458-N460 VanDerWaalsContact C-N 3.34Å; L458-N460 PolarHBondContact O-N 3.47Å; L458-H461 PolarHBondContact O-N 2.95Å; L458-Q462 HydrophobicContact CD1-CG 4.45Å; L458-Q462 WeakPolarHBondContact O-CB 3.35Å; L458-Q462 VanDerWaalsContact O-CG 3.27Å; L458-Q462 WeakPolarHBondContact O-CG 3.41Å; L458-Q462 PolarHBondContact O-N 3.47Å |
| 459 | Q | 96.4 | Very high | 96 | Very high | 101 Ų | 101 | 104.5 Ų | 104.5 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.4 | -72.3 | 175.3 | 13.3 | 0 | 0 | 111.7 | E455 R456 S457 Q462 F463 | E455-Q459 VanDerWaalsContact O-CG 3.3Å; E455-Q459 WeakPolarHBondContact O-CG 3.39Å; E455-Q459 PolarHBondContact O-N 3.49Å; E455-Q459 PolarHBondContact OE1-NE2 2.81Å; R456-Q459 PolarHBondContact O-N 3.24Å; S457-Q459 PolarHBondContact O-N 3.31Å; Q459-Q462 PolarHBondContact O-N 2.87Å; Q459-F463 PolarHBondContact O-N 3.32Å |
| 460 | N | 95.9 | Very high | 96 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -49.8 | 174.8 | -71.6 | -19.3 | 0 | 0 | 0 | 111.7 | R456 S457 L458 Q462 F463 E464 | R456-N460 VanDerWaalsContact O-CG 3.29Å; R456-N460 PolarHBondContact O-N 3.42Å; R456-N460 PolarHBondContact O-ND2 2.85Å; S457-N460 WeakPolarHBondContact O-CB 3.24Å; S457-N460 PolarHBondContact O-N 2.86Å; L458-N460 VanDerWaalsContact C-N 3.34Å; L458-N460 PolarHBondContact O-N 3.47Å; N460-Q462 VanDerWaalsContact C-N 3.31Å; N460-Q462 PolarHBondContact O-N 3.47Å; N460-F463 WeakPolarHBondContact O-CB 3.42Å; N460-F463 PolarHBondContact O-N 2.85Å; N460-E464 WeakPolarHBondContact O-CG 3.34Å; N460-E464 PolarHBondContact O-N 3.03Å |
| 461 | H | 94.7 | Very high | 96.1 | Very high | 113 Ų | 113 | 104.7 Ų | 104.7 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -34.3 | 176.9 | -71 | -22.1 | 0 | 0 | 0 | 113 | S457 L458 F463 E464 L465 | S457-H461 PolarHBondContact O-N 3.26Å; L458-H461 PolarHBondContact O-N 2.95Å; H461-F463 VanDerWaalsContact C-N 3.34Å; H461-E464 IonicContact CE1-OE2 3.87Å; H461-E464 IonicContact CG-OE2 2.76Å; H461-E464 IonicContact ND1-OE2 2.83Å; H461-E464 PolarHBondContact ND1-OE2 2.78Å; H461-L465 WeakPolarHBondContact O-CB 3.35Å; H461-L465 PolarHBondContact O-N 2.95Å |
| 462 | Q | 96 | Very high | 96 | Very high | 100 Ų | 100 | 109 Ų | 109 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 171.6 | -75 | 179.1 | 19.9 | 0 | 0 | 112.3 | L458 Q459 N460 K466 | L458-Q462 HydrophobicContact CD1-CG 4.45Å; L458-Q462 WeakPolarHBondContact O-CB 3.35Å; L458-Q462 VanDerWaalsContact O-CG 3.27Å; L458-Q462 WeakPolarHBondContact O-CG 3.41Å; L458-Q462 PolarHBondContact O-N 3.47Å; Q459-Q462 PolarHBondContact O-N 2.87Å; N460-Q462 VanDerWaalsContact C-N 3.31Å; N460-Q462 PolarHBondContact O-N 3.47Å; Q462-K466 WeakPolarHBondContact O-CG 3.46Å; Q462-K466 PolarHBondContact O-N 3.1Å; Q462-K466 VanDerWaalsContact O-N 3.07Å |
| 463 | F | 95.8 | Very high | 96 | Very high | 141 Ų | 141 | 108.7 Ų | 108.7 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68 | -46.3 | 175 | 178.6 | -97.9 | 0 | 0 | 0 | 111.8 | Q459 N460 H461 L465 K466 K467 | Q459-F463 PolarHBondContact O-N 3.32Å; N460-F463 WeakPolarHBondContact O-CB 3.42Å; N460-F463 PolarHBondContact O-N 2.85Å; H461-F463 VanDerWaalsContact C-N 3.34Å; F463-L465 VanDerWaalsContact C-N 3.32Å; F463-L465 PolarHBondContact O-N 3.28Å; F463-K466 WeakPolarHBondContact O-CB 3.43Å; F463-K466 PolarHBondContact O-N 3.09Å; F463-K467 PolarHBondContact O-N 2.89Å |
| 464 | E | 96.7 | Very high | 95.9 | Very high | 103 Ų | 103 | 108.9 Ų | 108.9 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 174.7 | -69.6 | 176.6 | 141.8 | 0 | 0 | 111.8 | N460 H461 K467 L468 | N460-E464 WeakPolarHBondContact O-CG 3.34Å; N460-E464 PolarHBondContact O-N 3.03Å; H461-E464 IonicContact CE1-OE2 3.87Å; H461-E464 IonicContact CG-OE2 2.76Å; H461-E464 IonicContact ND1-OE2 2.83Å; H461-E464 PolarHBondContact ND1-OE2 2.78Å; E464-K467 PolarHBondContact O-N 3.38Å; E464-L468 WeakPolarHBondContact O-CB 3.29Å; E464-L468 WeakPolarHBondContact O-CG 3.39Å; E464-L468 PolarHBondContact O-N 3.04Å |
| 465 | L | 94.9 | Very high | 95.9 | Very high | 92 Ų | 92 | 108.2 Ų | 108.2 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -35.9 | 178 | -171.6 | 152.2 | 0 | 0 | 0 | 112.3 | H461 F463 K469 | H461-L465 WeakPolarHBondContact O-CB 3.35Å; H461-L465 PolarHBondContact O-N 2.95Å; F463-L465 VanDerWaalsContact C-N 3.32Å; F463-L465 PolarHBondContact O-N 3.28Å; L465-K469 HydrophobicContact CD2-CD 3.9Å; L465-K469 VanDerWaalsContact CD2-CE 3.48Å; L465-K469 WeakPolarHBondContact O-CG 3.45Å; L465-K469 PolarHBondContact O-N 3.27Å; L465-K469 VanDerWaalsContact O-N 3.09Å |
| 466 | K | 96.6 | Very high | 95.7 | Very high | 127 Ų | 127 | 107.7 Ų | 107.7 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.5 | -49.4 | 169.9 | -75 | 171.8 | -178.2 | 175.4 | 0 | 110.9 | Q462 F463 L468 K469 E470 | Q462-K466 WeakPolarHBondContact O-CG 3.46Å; Q462-K466 PolarHBondContact O-N 3.1Å; Q462-K466 VanDerWaalsContact O-N 3.07Å; F463-K466 WeakPolarHBondContact O-CB 3.43Å; F463-K466 PolarHBondContact O-N 3.09Å; K466-L468 VanDerWaalsContact C-N 3.34Å; K466-L468 PolarHBondContact O-N 3.43Å; K466-K469 WeakPolarHBondContact O-CB 3.42Å; K466-K469 PolarHBondContact O-N 2.88Å; K466-K469 VanDerWaalsContact O-N 3.1Å; K466-E470 WeakPolarHBondContact O-CG 3.43Å; K466-E470 PolarHBondContact O-N 3.39Å |
| 467 | K | 97.4 | Very high | 95.6 | Very high | 105 Ų | 105 | 106.8 Ų | 106.8 | 46% | 0.457 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.4 | -44.7 | 177.8 | -170.6 | -171.9 | -179.9 | -108.3 | 0 | 112.1 | F463 E464 K469 E470 E471 | F463-K467 PolarHBondContact O-N 2.89Å; E464-K467 PolarHBondContact O-N 3.38Å; K467-K469 VanDerWaalsContact C-N 3.34Å; K467-K469 PolarHBondContact O-N 2.78Å; K467-E470 PolarHBondContact O-N 3.4Å; K467-E471 WeakPolarHBondContact CE-OE1 3.22Å; K467-E471 IonicContact NZ-OE1 3.87Å; K467-E471 PolarHBondContact NZ-OE1 2.84Å; K467-E471 WeakPolarHBondContact O-CG 3.49Å; K467-E471 PolarHBondContact O-N 3.41Å |
| 468 | L | 95.3 | Very high | 95.6 | Very high | 106 Ų | 106 | 109 Ų | 109 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66 | -34 | 177.3 | -73.4 | 172.6 | 0 | 0 | 0 | 112.7 | E464 K466 W472 | E464-L468 WeakPolarHBondContact O-CB 3.29Å; E464-L468 WeakPolarHBondContact O-CG 3.39Å; E464-L468 PolarHBondContact O-N 3.04Å; K466-L468 VanDerWaalsContact C-N 3.34Å; K466-L468 PolarHBondContact O-N 3.43Å; L468-W472 VanDerWaalsContact O-CB 3.24Å; L468-W472 WeakPolarHBondContact O-CB 3.42Å; L468-W472 PolarHBondContact O-N 3.42Å |
| 469 | K | 96.1 | Very high | 95.5 | Very high | 137 Ų | 137 | 108 Ų | 108 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -41.5 | 171.6 | -77.9 | 175.5 | 174.6 | 175.8 | 0 | 112.2 | L465 K466 K467 W472 S473 | L465-K469 HydrophobicContact CD2-CD 3.9Å; L465-K469 VanDerWaalsContact CD2-CE 3.48Å; L465-K469 WeakPolarHBondContact O-CG 3.45Å; L465-K469 PolarHBondContact O-N 3.27Å; L465-K469 VanDerWaalsContact O-N 3.09Å; K466-K469 WeakPolarHBondContact O-CB 3.42Å; K466-K469 PolarHBondContact O-N 2.88Å; K466-K469 VanDerWaalsContact O-N 3.1Å; K467-K469 VanDerWaalsContact C-N 3.34Å; K467-K469 PolarHBondContact O-N 2.78Å; K469-W472 PolarHBondContact O-N 2.91Å; K469-S473 WeakPolarHBondContact O-CB 3.47Å; K469-S473 PolarHBondContact O-N 2.99Å |
| 470 | E | 95.9 | Very high | 95.4 | Very high | 116 Ų | 116 | 106.9 Ų | 106.9 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 175.2 | -70.5 | 167.2 | -164.4 | 0 | 0 | 111.2 | K466 K467 W472 S473 Q474 | K466-E470 WeakPolarHBondContact O-CG 3.43Å; K466-E470 PolarHBondContact O-N 3.39Å; K467-E470 PolarHBondContact O-N 3.4Å; E470-W472 VanDerWaalsContact C-N 3.31Å; E470-W472 PolarHBondContact O-N 3.07Å; E470-S473 PolarHBondContact O-N 2.86Å; E470-Q474 WeakPolarHBondContact O-CB 2.83Å; E470-Q474 VanDerWaalsContact O-CG 3.26Å; E470-Q474 WeakPolarHBondContact O-CG 3.09Å; E470-Q474 PolarHBondContact O-N 2.97Å |
| 471 | E | 96.5 | Very high | 95.3 | Very high | 50 Ų | 50 | 104.4 Ų | 104.4 | 23% | 0.234 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 173.5 | -74.5 | -174.2 | -152.4 | 0 | 0 | 112.4 | K467 R475 | K467-E471 WeakPolarHBondContact CE-OE1 3.22Å; K467-E471 IonicContact NZ-OE1 3.87Å; K467-E471 PolarHBondContact NZ-OE1 2.84Å; K467-E471 WeakPolarHBondContact O-CG 3.49Å; K467-E471 PolarHBondContact O-N 3.41Å; E471-R475 VanDerWaalsContact O-CG 3.27Å; E471-R475 WeakPolarHBondContact O-CG 3.21Å; E471-R475 PolarHBondContact O-N 2.78Å; E471-R475 IonicContact OE2-NH2 3.66Å; E471-R475 PolarHBondContact OE2-NH2 3.08Å |
| 472 | W | 94.4 | Very high | 95.3 | Very high | 160 Ų | 160 | 104.9 Ų | 104.9 | 61% | 0.606 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -45 | 177.1 | -175.4 | 88.8 | 0 | 0 | 0 | 111.6 | L468 K469 E470 Q474 R475 E476 | L468-W472 VanDerWaalsContact O-CB 3.24Å; L468-W472 WeakPolarHBondContact O-CB 3.42Å; L468-W472 PolarHBondContact O-N 3.42Å; K469-W472 PolarHBondContact O-N 2.91Å; E470-W472 VanDerWaalsContact C-N 3.31Å; E470-W472 PolarHBondContact O-N 3.07Å; W472-Q474 VanDerWaalsContact C-N 3.33Å; W472-Q474 PolarHBondContact O-N 2.88Å; W472-R475 PolarHBondContact O-N 3.47Å; W472-R475 VanDerWaalsContact O-N 3.14Å; W472-E476 HydrophobicContact CZ3-CB 4.45Å; W472-E476 VanDerWaalsContact CZ3-OE2 3.23Å; W472-E476 WeakPolarHBondContact CZ3-OE2 3.48Å; W472-E476 PolarHBondContact O-N 2.97Å |
| 473 | S | 95.6 | Very high | 95.1 | Very high | 51 Ų | 51 | 102.7 Ų | 102.7 | 36% | 0.357 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 112 | K469 E470 E476 I477 | K469-S473 WeakPolarHBondContact O-CB 3.47Å; K469-S473 PolarHBondContact O-N 2.99Å; E470-S473 PolarHBondContact O-N 2.86Å; S473-E476 WeakPolarHBondContact O-CB 3.28Å; S473-E476 PolarHBondContact O-N 3.38Å; S473-I477 VanDerWaalsContact O-CG1 3.31Å; S473-I477 WeakPolarHBondContact O-CG1 3.27Å; S473-I477 PolarHBondContact O-N 2.84Å |
| 474 | Q | 95.7 | Very high | 95 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 172.2 | -71.8 | 169.9 | 18.4 | 0 | 0 | 112 | E470 W472 I477 V478 | E470-Q474 WeakPolarHBondContact O-CB 2.83Å; E470-Q474 VanDerWaalsContact O-CG 3.26Å; E470-Q474 WeakPolarHBondContact O-CG 3.09Å; E470-Q474 PolarHBondContact O-N 2.97Å; W472-Q474 VanDerWaalsContact C-N 3.33Å; W472-Q474 PolarHBondContact O-N 2.88Å; Q474-I477 PolarHBondContact O-N 2.89Å; Q474-V478 WeakPolarHBondContact O-CG2 3.39Å; Q474-V478 PolarHBondContact O-N 3.41Å |
| 475 | R | 93.9 | Very high | 94.9 | Very high | 161 Ų | 161 | 99.2 Ų | 99.2 | 61% | 0.608 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.8 | -36.8 | 175.1 | -70.5 | 172.6 | -157.3 | -177.4 | 10.7 | 112.2 | E471 W472 V478 S479 | E471-R475 VanDerWaalsContact O-CG 3.27Å; E471-R475 WeakPolarHBondContact O-CG 3.21Å; E471-R475 PolarHBondContact O-N 2.78Å; E471-R475 IonicContact OE2-NH2 3.66Å; E471-R475 PolarHBondContact OE2-NH2 3.08Å; W472-R475 PolarHBondContact O-N 3.47Å; W472-R475 VanDerWaalsContact O-N 3.14Å; R475-V478 PolarHBondContact O-N 3.14Å; R475-S479 VanDerWaalsContact O-CB 3.29Å; R475-S479 WeakPolarHBondContact O-CB 3.34Å; R475-S479 PolarHBondContact O-N 2.84Å |
| 476 | E | 93.4 | Very high | 94.8 | Very high | 93 Ų | 93 | 98.8 Ų | 98.8 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | 174.1 | -175.8 | 177 | -141.2 | 0 | 0 | 110.9 | W472 S473 V478 S479 V480 | W472-E476 HydrophobicContact CZ3-CB 4.45Å; W472-E476 VanDerWaalsContact CZ3-OE2 3.23Å; W472-E476 WeakPolarHBondContact CZ3-OE2 3.48Å; W472-E476 PolarHBondContact O-N 2.97Å; S473-E476 WeakPolarHBondContact O-CB 3.28Å; S473-E476 PolarHBondContact O-N 3.38Å; E476-V478 VanDerWaalsContact C-N 3.35Å; E476-V478 PolarHBondContact O-N 3.01Å; E476-S479 PolarHBondContact O-N 3.38Å; E476-S479 VanDerWaalsContact O-N 3.14Å; E476-V480 WeakPolarHBondContact O-CG2 3.26Å; E476-V480 PolarHBondContact O-N 3.41Å |
| 477 | I | 95.3 | Very high | 94.7 | Very high | 112 Ų | 112 | 97.7 Ų | 97.7 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56 | -47.5 | 175.3 | -68.2 | 163.3 | 0 | 0 | 0 | 111.2 | S473 Q474 S479 V480 A481 | S473-I477 VanDerWaalsContact O-CG1 3.31Å; S473-I477 WeakPolarHBondContact O-CG1 3.27Å; S473-I477 PolarHBondContact O-N 2.84Å; Q474-I477 PolarHBondContact O-N 2.89Å; I477-S479 PolarHBondContact O-N 2.87Å; I477-V480 PolarHBondContact O-N 2.9Å; I477-A481 WeakPolarHBondContact O-CB 3.24Å; I477-A481 PolarHBondContact O-N 3.33Å |
| 478 | V | 95.3 | Very high | 94.5 | Very high | 99 Ų | 99 | 98.9 Ų | 98.9 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | Q474 R475 E476 A481 M482 | Q474-V478 WeakPolarHBondContact O-CG2 3.39Å; Q474-V478 PolarHBondContact O-N 3.41Å; R475-V478 PolarHBondContact O-N 3.14Å; E476-V478 VanDerWaalsContact C-N 3.35Å; E476-V478 PolarHBondContact O-N 3.01Å; V478-A481 PolarHBondContact O-N 3.44Å; V478-M482 VanDerWaalsContact O-CB 3.31Å; V478-M482 WeakPolarHBondContact O-CB 3.41Å; V478-M482 PolarHBondContact O-N 2.89Å |
| 479 | S | 92.8 | Very high | 94.4 | Very high | 79 Ų | 79 | 97.9 Ų | 97.9 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.2 | -38.7 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 112.2 | R475 E476 I477 A483 | R475-S479 VanDerWaalsContact O-CB 3.29Å; R475-S479 WeakPolarHBondContact O-CB 3.34Å; R475-S479 PolarHBondContact O-N 2.84Å; E476-S479 PolarHBondContact O-N 3.38Å; E476-S479 VanDerWaalsContact O-N 3.14Å; I477-S479 PolarHBondContact O-N 2.87Å; S479-A483 WeakPolarHBondContact O-CB 3.3Å; S479-A483 PolarHBondContact O-N 3.46Å |
| 480 | V | 95.1 | Very high | 94.3 | Very high | 77 Ų | 77 | 97.5 Ų | 97.5 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | E476 I477 M482 A483 Q484 | E476-V480 WeakPolarHBondContact O-CG2 3.26Å; E476-V480 PolarHBondContact O-N 3.41Å; I477-V480 PolarHBondContact O-N 2.9Å; V480-M482 VanDerWaalsContact C-N 3.33Å; V480-M482 PolarHBondContact O-N 2.91Å; V480-A483 PolarHBondContact O-N 2.97Å; V480-Q484 WeakPolarHBondContact O-CG 3.47Å; V480-Q484 PolarHBondContact O-N 3.27Å |
| 481 | A | 93.9 | Very high | 94.3 | Very high | 49 Ų | 49 | 97.8 Ų | 97.8 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I477 V478 Q484 A485 | I477-A481 WeakPolarHBondContact O-CB 3.24Å; I477-A481 PolarHBondContact O-N 3.33Å; V478-A481 PolarHBondContact O-N 3.44Å; A481-Q484 PolarHBondContact O-N 3.27Å; A481-A485 WeakPolarHBondContact O-CB 3.48Å; A481-A485 PolarHBondContact O-N 2.95Å |
| 482 | M | 94.3 | Very high | 94.1 | Very high | 124 Ų | 124 | 100.3 Ų | 100.3 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.3 | -38 | 174.8 | -178.2 | 172.3 | 167.7 | 0 | 0 | 112.2 | V478 V480 L486 | V478-M482 VanDerWaalsContact O-CB 3.31Å; V478-M482 WeakPolarHBondContact O-CB 3.41Å; V478-M482 PolarHBondContact O-N 2.89Å; V480-M482 VanDerWaalsContact C-N 3.33Å; V480-M482 PolarHBondContact O-N 2.91Å; M482-L486 HydrophobicContact CE-CD1 4.4Å; M482-L486 HydrophobicContact CG-CD1 4.41Å; M482-L486 WeakPolarHBondContact O-CB 3.31Å; M482-L486 VanDerWaalsContact O-CG 3.31Å; M482-L486 WeakPolarHBondContact O-CG 3.37Å; M482-L486 PolarHBondContact O-N 3.3Å |
| 483 | A | 92.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 100.1 Ų | 100.1 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S479 V480 L486 E487 | S479-A483 WeakPolarHBondContact O-CB 3.3Å; S479-A483 PolarHBondContact O-N 3.46Å; V480-A483 PolarHBondContact O-N 2.97Å; A483-L486 PolarHBondContact O-N 3.33Å; A483-E487 PolarHBondContact O-N 3.08Å |
| 484 | Q | 94.1 | Very high | 94 | Very high | 120 Ų | 120 | 103.3 Ų | 103.3 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -48.6 | 174.1 | -72.9 | 171.8 | -19.5 | 0 | 0 | 111.6 | V480 A481 L486 E487 E488 | V480-Q484 WeakPolarHBondContact O-CG 3.47Å; V480-Q484 PolarHBondContact O-N 3.27Å; A481-Q484 PolarHBondContact O-N 3.27Å; Q484-L486 VanDerWaalsContact C-N 3.32Å; Q484-L486 PolarHBondContact O-N 3.42Å; Q484-E487 WeakPolarHBondContact O-CB 3.47Å; Q484-E487 PolarHBondContact O-N 3.09Å; Q484-E488 PolarHBondContact O-N 3.48Å |
| 485 | A | 93.5 | Very high | 93.9 | Very high | 50 Ų | 50 | 101.8 Ų | 101.8 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -38 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A481 E487 E488 V489 | A481-A485 WeakPolarHBondContact O-CB 3.48Å; A481-A485 PolarHBondContact O-N 2.95Å; A485-E487 VanDerWaalsContact C-N 3.31Å; A485-E487 PolarHBondContact O-N 2.9Å; A485-E488 PolarHBondContact O-N 3.45Å; A485-V489 WeakPolarHBondContact O-CG2 3.01Å; A485-V489 PolarHBondContact O-N 3.22Å |
| 486 | L | 92.7 | Very high | 93.8 | Very high | 83 Ų | 83 | 100.3 Ų | 100.3 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 173.3 | -75 | 172 | 0 | 0 | 0 | 112.4 | M482 A483 Q484 R490 | M482-L486 HydrophobicContact CE-CD1 4.4Å; M482-L486 HydrophobicContact CG-CD1 4.41Å; M482-L486 WeakPolarHBondContact O-CB 3.31Å; M482-L486 VanDerWaalsContact O-CG 3.31Å; M482-L486 WeakPolarHBondContact O-CG 3.37Å; M482-L486 PolarHBondContact O-N 3.3Å; A483-L486 PolarHBondContact O-N 3.33Å; Q484-L486 VanDerWaalsContact C-N 3.32Å; Q484-L486 PolarHBondContact O-N 3.42Å; L486-R490 WeakPolarHBondContact O-CG 3.5Å; L486-R490 PolarHBondContact O-N 2.91Å |
| 487 | E | 93.7 | Very high | 93.8 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.7 | -39.1 | 177.1 | -160.7 | 60.8 | -158.9 | 0 | 0 | 112.1 | A483 Q484 A485 V489 R490 K491 | A483-E487 PolarHBondContact O-N 3.08Å; Q484-E487 WeakPolarHBondContact O-CB 3.47Å; Q484-E487 PolarHBondContact O-N 3.09Å; A485-E487 VanDerWaalsContact C-N 3.31Å; A485-E487 PolarHBondContact O-N 2.9Å; E487-V489 VanDerWaalsContact C-N 3.33Å; E487-V489 PolarHBondContact O-N 3.36Å; E487-R490 WeakPolarHBondContact O-CB 3.24Å; E487-R490 PolarHBondContact O-N 2.94Å; E487-R490 WeakPolarHBondContact OE2-CD 3.23Å; E487-R490 IonicContact OE2-CZ 3.85Å; E487-R490 IonicContact OE2-NE 2.72Å; E487-R490 IonicContact OE2-NH1 3.57Å; E487-R490 PolarHBondContact OE2-NH1 2.85Å; E487-K491 WeakPolarHBondContact O-CB 3.47Å; E487-K491 PolarHBondContact O-N 3.24Å |
| 488 | E | 94.2 | Very high | 93.7 | Very high | 129 Ų | 129 | 101.3 Ų | 101.3 | 60% | 0.603 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.9 | -43.1 | 170.8 | -70.1 | 178.9 | 174.8 | 0 | 0 | 111.6 | Q484 A485 K491 Q492 | Q484-E488 PolarHBondContact O-N 3.48Å; A485-E488 PolarHBondContact O-N 3.45Å; E488-K491 PolarHBondContact O-N 2.93Å; E488-Q492 WeakPolarHBondContact O-CG 3.37Å; E488-Q492 PolarHBondContact O-N 2.81Å |
| 489 | V | 93.8 | Very high | 93.7 | Very high | 86 Ų | 86 | 101.6 Ų | 101.6 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 175 | 170.5 | 0 | 0 | 0 | 0 | 112 | A485 E487 R493 | A485-V489 WeakPolarHBondContact O-CG2 3.01Å; A485-V489 PolarHBondContact O-N 3.22Å; E487-V489 VanDerWaalsContact C-N 3.33Å; E487-V489 PolarHBondContact O-N 3.36Å; V489-R493 WeakPolarHBondContact O-CB 3.34Å; V489-R493 PolarHBondContact O-N 3.43Å |
| 490 | R | 94.2 | Very high | 93.6 | Very high | 128 Ų | 128 | 100.3 Ų | 100.3 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 171.9 | -78 | -178.8 | -170.4 | 116.7 | 6 | 111.1 | L486 E487 Q492 R493 E494 | L486-R490 WeakPolarHBondContact O-CG 3.5Å; L486-R490 PolarHBondContact O-N 2.91Å; E487-R490 WeakPolarHBondContact O-CB 3.24Å; E487-R490 PolarHBondContact O-N 2.94Å; E487-R490 WeakPolarHBondContact OE2-CD 3.23Å; E487-R490 IonicContact OE2-CZ 3.85Å; E487-R490 IonicContact OE2-NE 2.72Å; E487-R490 IonicContact OE2-NH1 3.57Å; E487-R490 PolarHBondContact OE2-NH1 2.85Å; R490-Q492 PolarHBondContact O-N 3.45Å; R490-R493 WeakPolarHBondContact O-CB 3.5Å; R490-R493 PolarHBondContact O-N 2.73Å; R490-R493 VanDerWaalsContact O-N 3.14Å; R490-E494 WeakPolarHBondContact O-CG 3.27Å; R490-E494 PolarHBondContact O-N 3.34Å |
| 491 | K | 94.6 | Very high | 93.5 | Very high | 122 Ų | 122 | 99.1 Ų | 99.1 | 53% | 0.53 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 179.5 | -167.8 | -171.2 | 178.9 | -122.7 | 0 | 111.9 | E487 E488 R493 E494 E495 | E487-K491 WeakPolarHBondContact O-CB 3.47Å; E487-K491 PolarHBondContact O-N 3.24Å; E488-K491 PolarHBondContact O-N 2.93Å; K491-R493 VanDerWaalsContact C-N 3.32Å; K491-R493 PolarHBondContact O-N 3.03Å; K491-E494 PolarHBondContact O-N 3.39Å; K491-E495 WeakPolarHBondContact CE-OE1 3.29Å; K491-E495 IonicContact NZ-OE1 2.68Å; K491-E495 PolarHBondContact NZ-OE1 2.89Å; K491-E495 WeakPolarHBondContact O-CG 3.31Å; K491-E495 PolarHBondContact O-N 3.43Å |
| 492 | Q | 93 | Very high | 93.5 | Very high | 103 Ų | 103 | 100.9 Ų | 100.9 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 173.8 | -72.8 | 175.6 | 7.4 | 0 | 0 | 111.7 | E488 R490 E494 E495 F496 | E488-Q492 WeakPolarHBondContact O-CG 3.37Å; E488-Q492 PolarHBondContact O-N 2.81Å; R490-Q492 PolarHBondContact O-N 3.45Å; Q492-E494 VanDerWaalsContact C-N 3.35Å; Q492-E494 PolarHBondContact O-N 3.45Å; Q492-E495 PolarHBondContact O-N 2.83Å; Q492-F496 HydrophobicContact CB-CE2 4.41Å; Q492-F496 WeakPolarHBondContact O-CD2 3.23Å; Q492-F496 WeakPolarHBondContact O-CG 3.38Å; Q492-F496 PolarHBondContact O-N 2.79Å |
| 493 | R | 93.4 | Very high | 93.4 | Very high | 156 Ų | 156 | 100.2 Ų | 100.2 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -40.2 | 175.6 | 176.4 | 179.7 | 171.8 | -82 | -6.6 | 112.2 | V489 R490 K491 Q497 | V489-R493 WeakPolarHBondContact O-CB 3.34Å; V489-R493 PolarHBondContact O-N 3.43Å; R490-R493 WeakPolarHBondContact O-CB 3.5Å; R490-R493 PolarHBondContact O-N 2.73Å; R490-R493 VanDerWaalsContact O-N 3.14Å; K491-R493 VanDerWaalsContact C-N 3.32Å; K491-R493 PolarHBondContact O-N 3.03Å; R493-Q497 VanDerWaalsContact O-CB 3.22Å; R493-Q497 WeakPolarHBondContact O-CB 3.36Å; R493-Q497 PolarHBondContact O-N 2.84Å |
| 494 | E | 94.1 | Very high | 93.5 | Very high | 118 Ų | 118 | 101.3 Ų | 101.3 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.4 | -42.6 | 175.7 | -72.8 | 173.3 | -175.2 | 0 | 0 | 111.8 | R490 K491 Q492 Q497 Q498 | R490-E494 WeakPolarHBondContact O-CG 3.27Å; R490-E494 PolarHBondContact O-N 3.34Å; K491-E494 PolarHBondContact O-N 3.39Å; Q492-E494 VanDerWaalsContact C-N 3.35Å; Q492-E494 PolarHBondContact O-N 3.45Å; E494-Q497 PolarHBondContact O-N 2.86Å; E494-Q498 WeakPolarHBondContact O-CB 3.31Å; E494-Q498 PolarHBondContact O-N 3.45Å |
| 495 | E | 94.2 | Very high | 93.4 | Very high | 89 Ų | 89 | 98.2 Ų | 98.2 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 173.8 | -71.9 | 172.2 | -170.6 | 0 | 0 | 111.1 | K491 Q492 Q498 Q499 | K491-E495 WeakPolarHBondContact CE-OE1 3.29Å; K491-E495 IonicContact NZ-OE1 2.68Å; K491-E495 PolarHBondContact NZ-OE1 2.89Å; K491-E495 WeakPolarHBondContact O-CG 3.31Å; K491-E495 PolarHBondContact O-N 3.43Å; Q492-E495 PolarHBondContact O-N 2.83Å; E495-Q498 PolarHBondContact O-N 2.96Å; E495-Q499 WeakPolarHBondContact O-CG 3.45Å; E495-Q499 PolarHBondContact O-N 2.72Å |
| 496 | F | 91.6 | Very high | 93.5 | Very high | 130 Ų | 130 | 100 Ų | 100 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.6 | -37 | 174.2 | -71.5 | -54 | 0 | 0 | 0 | 113.2 | Q492 Q498 Q499 A500 | Q492-F496 HydrophobicContact CB-CE2 4.41Å; Q492-F496 WeakPolarHBondContact O-CD2 3.23Å; Q492-F496 WeakPolarHBondContact O-CG 3.38Å; Q492-F496 PolarHBondContact O-N 2.79Å; F496-Q498 VanDerWaalsContact C-N 3.33Å; F496-Q499 PolarHBondContact O-N 3.45Å; F496-A500 WeakPolarHBondContact O-CB 3.44Å; F496-A500 PolarHBondContact O-N 3.14Å |
| 497 | Q | 93.4 | Very high | 93.4 | Very high | 113 Ų | 113 | 100.6 Ų | 100.6 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 176.2 | -175.9 | 173.8 | -21.7 | 0 | 0 | 111.2 | R493 E494 A500 A501 | R493-Q497 VanDerWaalsContact O-CB 3.22Å; R493-Q497 WeakPolarHBondContact O-CB 3.36Å; R493-Q497 PolarHBondContact O-N 2.84Å; E494-Q497 PolarHBondContact O-N 2.86Å; Q497-A500 PolarHBondContact O-N 3.21Å; Q497-A501 WeakPolarHBondContact O-CB 3.49Å; Q497-A501 PolarHBondContact O-N 3.39Å |
| 498 | Q | 93.9 | Very high | 93.3 | Very high | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 173.6 | -171.7 | 62 | 54.9 | 0 | 0 | 112 | E494 E495 F496 A501 N502 | E494-Q498 WeakPolarHBondContact O-CB 3.31Å; E494-Q498 PolarHBondContact O-N 3.45Å; E495-Q498 PolarHBondContact O-N 2.96Å; F496-Q498 VanDerWaalsContact C-N 3.33Å; Q498-A501 PolarHBondContact O-N 3.12Å; Q498-N502 PolarHBondContact NE2-OD1 3.26Å; Q498-N502 WeakPolarHBondContact O-CB 3.35Å; Q498-N502 PolarHBondContact O-N 3.3Å; Q498-N502 PolarHBondContact O-OD1 2.66Å |
| 499 | Q | 93.5 | Very high | 93.3 | Very high | 104 Ų | 104 | 98.2 Ų | 98.2 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 172.9 | -72 | 173.2 | 19.5 | 0 | 0 | 111.6 | E495 F496 N502 L503 | E495-Q499 WeakPolarHBondContact O-CG 3.45Å; E495-Q499 PolarHBondContact O-N 2.72Å; F496-Q499 PolarHBondContact O-N 3.45Å; Q499-N502 PolarHBondContact O-N 2.85Å; Q499-L503 WeakPolarHBondContact O-CG 3.44Å; Q499-L503 PolarHBondContact O-N 3.43Å |
| 500 | A | 91.3 | Very high | 93.1 | Very high | 52 Ų | 52 | 99.2 Ų | 99.2 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F496 Q497 N502 L503 T504 | F496-A500 WeakPolarHBondContact O-CB 3.44Å; F496-A500 PolarHBondContact O-N 3.14Å; Q497-A500 PolarHBondContact O-N 3.21Å; A500-N502 VanDerWaalsContact C-N 3.34Å; A500-N502 PolarHBondContact O-N 3.01Å; A500-L503 PolarHBondContact O-N 3.28Å; A500-T504 PolarHBondContact O-N 2.9Å; A500-T504 PolarHBondContact O-OG1 2.95Å; A500-T504 VanDerWaalsContact O-OG1 3.08Å |
| 501 | A | 92.8 | Very high | 93 | Very high | 52 Ų | 52 | 97.1 Ų | 97.1 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q497 Q498 T504 A505 | Q497-A501 WeakPolarHBondContact O-CB 3.49Å; Q497-A501 PolarHBondContact O-N 3.39Å; Q498-A501 PolarHBondContact O-N 3.12Å; A501-T504 PolarHBondContact O-N 2.93Å; A501-A505 PolarHBondContact O-N 3.39Å |
| 502 | N | 93.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 96.5 Ų | 96.5 | 46% | 0.46 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.8 | -65.8 | -6.6 | 0 | 0 | 0 | 111.8 | Q498 Q499 A500 A505 I506 | Q498-N502 PolarHBondContact NE2-OD1 3.26Å; Q498-N502 WeakPolarHBondContact O-CB 3.35Å; Q498-N502 PolarHBondContact O-N 3.3Å; Q498-N502 PolarHBondContact O-OD1 2.66Å; Q499-N502 PolarHBondContact O-N 2.85Å; A500-N502 VanDerWaalsContact C-N 3.34Å; A500-N502 PolarHBondContact O-N 3.01Å; N502-A505 PolarHBondContact O-N 2.85Å; N502-I506 WeakPolarHBondContact O-CG1 3.45Å; N502-I506 PolarHBondContact O-N 3.48Å; N502-I506 VanDerWaalsContact O-N 3.11Å |
| 503 | L | 92.9 | Very high | 92.9 | Very high | 110 Ų | 110 | 94.4 Ų | 94.4 | 58% | 0.576 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.6 | -41.6 | 176.7 | -72.7 | 172.9 | 0 | 0 | 0 | 112 | Q499 A500 A505 I506 I507 | Q499-L503 WeakPolarHBondContact O-CG 3.44Å; Q499-L503 PolarHBondContact O-N 3.43Å; A500-L503 PolarHBondContact O-N 3.28Å; L503-A505 PolarHBondContact O-N 3Å; L503-I506 PolarHBondContact O-N 2.85Å; L503-I507 WeakPolarHBondContact O-CG1 3.44Å; L503-I507 PolarHBondContact O-N 2.85Å |
| 504 | T | 94.2 | Very high | 92.8 | Very high | 77 Ų | 77 | 92 Ų | 92 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 173.7 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | A500 A501 I506 I507 D508 | A500-T504 PolarHBondContact O-N 2.9Å; A500-T504 PolarHBondContact O-OG1 2.95Å; A500-T504 VanDerWaalsContact O-OG1 3.08Å; A501-T504 PolarHBondContact O-N 2.93Å; T504-I506 VanDerWaalsContact C-N 3.3Å; T504-I506 PolarHBondContact O-N 2.96Å; T504-I507 CarbonylContact O-C 3.55Å; T504-I507 WeakPolarHBondContact O-CA 3.42Å; T504-I507 WeakPolarHBondContact O-CB 3.44Å; T504-I507 PolarHBondContact O-N 3.46Å; T504-D508 PolarHBondContact O-N 3.03Å |
| 505 | A | 93.6 | Very high | 92.6 | Very high | 56 Ų | 56 | 93.3 Ų | 93.3 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A501 N502 L503 E509 | A501-A505 PolarHBondContact O-N 3.39Å; N502-A505 PolarHBondContact O-N 2.85Å; L503-A505 PolarHBondContact O-N 3Å; A505-E509 WeakPolarHBondContact O-CB 3.1Å; A505-E509 PolarHBondContact O-N 3.37Å |
| 506 | I | 93.8 | Very high | 92.5 | Very high | 87 Ų | 87 | 93.3 Ų | 93.3 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 173.1 | -67.4 | 164 | 0 | 0 | 0 | 110.9 | N502 L503 T504 E509 K510 | N502-I506 WeakPolarHBondContact O-CG1 3.45Å; N502-I506 PolarHBondContact O-N 3.48Å; N502-I506 VanDerWaalsContact O-N 3.11Å; L503-I506 PolarHBondContact O-N 2.85Å; T504-I506 VanDerWaalsContact C-N 3.3Å; T504-I506 PolarHBondContact O-N 2.96Å; I506-E509 PolarHBondContact O-N 3.5Å; I506-K510 WeakPolarHBondContact O-CG 3.44Å; I506-K510 PolarHBondContact O-N 3.43Å |
| 507 | I | 91 | Very high | 92.4 | Very high | 95 Ų | 95 | 93.5 Ų | 93.5 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 176.2 | -68.9 | 165.1 | 0 | 0 | 0 | 110.3 | L503 T504 E509 K510 E511 | L503-I507 WeakPolarHBondContact O-CG1 3.44Å; L503-I507 PolarHBondContact O-N 2.85Å; T504-I507 CarbonylContact O-C 3.55Å; T504-I507 WeakPolarHBondContact O-CA 3.42Å; T504-I507 WeakPolarHBondContact O-CB 3.44Å; T504-I507 PolarHBondContact O-N 3.46Å; I507-E509 VanDerWaalsContact C-N 3.31Å; I507-E509 PolarHBondContact O-N 2.96Å; I507-K510 CarbonylContact O-C 3.52Å; I507-K510 PolarHBondContact O-N 3.38Å; I507-E511 HydrophobicContact CG2-CG 4.37Å; I507-E511 PolarHBondContact O-N 2.97Å |
| 508 | D | 92.6 | Very high | 92.3 | Very high | 90 Ų | 90 | 92.3 Ų | 92.3 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.5 | -42.9 | 176.7 | -70.1 | -32 | 0 | 0 | 0 | 111.4 | T504 E511 Q512 | T504-D508 PolarHBondContact O-N 3.03Å; D508-E511 PolarHBondContact O-N 3.46Å; D508-Q512 WeakPolarHBondContact O-CB 3.39Å; D508-Q512 PolarHBondContact O-N 3.04Å |
| 509 | E | 93.3 | Very high | 92.2 | Very high | 95 Ų | 95 | 92.8 Ų | 92.8 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 174 | -167.6 | -147.6 | 118.3 | 0 | 0 | 111.5 | A505 I506 I507 Q512 N513 | A505-E509 WeakPolarHBondContact O-CB 3.1Å; A505-E509 PolarHBondContact O-N 3.37Å; I506-E509 PolarHBondContact O-N 3.5Å; I507-E509 VanDerWaalsContact C-N 3.31Å; I507-E509 PolarHBondContact O-N 2.96Å; E509-Q512 PolarHBondContact O-N 3.19Å; E509-N513 WeakPolarHBondContact O-CB 3.49Å; E509-N513 PolarHBondContact O-N 2.95Å; E509-N513 PolarHBondContact O-ND2 3.01Å |
| 510 | K | 90.4 | Very high | 92.2 | Very high | 106 Ų | 106 | 91.5 Ų | 91.5 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.3 | -37 | 177.1 | -64.6 | -40.4 | 171 | -149.9 | 0 | 112.7 | I506 I507 N513 L514 | I506-K510 WeakPolarHBondContact O-CG 3.44Å; I506-K510 PolarHBondContact O-N 3.43Å; I507-K510 CarbonylContact O-C 3.52Å; I507-K510 PolarHBondContact O-N 3.38Å; K510-N513 PolarHBondContact O-N 2.92Å; K510-L514 WeakPolarHBondContact O-CB 3.5Å; K510-L514 VanDerWaalsContact O-CG 3.26Å; K510-L514 WeakPolarHBondContact O-CG 3.46Å; K510-L514 PolarHBondContact O-N 3Å |
| 511 | E | 91.4 | Very high | 92.1 | Very high | 85 Ų | 85 | 94.2 Ų | 94.2 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 172.3 | -76.6 | -161.2 | -165.5 | 0 | 0 | 111.5 | I507 D508 L514 R515 | I507-E511 HydrophobicContact CG2-CG 4.37Å; I507-E511 PolarHBondContact O-N 2.97Å; D508-E511 PolarHBondContact O-N 3.46Å; E511-L514 PolarHBondContact O-N 3.39Å; E511-R515 VanDerWaalsContact O-CG 3.27Å; E511-R515 WeakPolarHBondContact O-CG 3.31Å; E511-R515 PolarHBondContact O-N 2.89Å; E511-R515 IonicContact OE2-CZ 3.58Å; E511-R515 IonicContact OE2-NH2 2.7Å; E511-R515 PolarHBondContact OE2-NH2 2.91Å |
| 512 | Q | 91.9 | Very high | 92 | Very high | 108 Ų | 108 | 96.1 Ų | 96.1 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 174.7 | -179.8 | 176.4 | -17.9 | 0 | 0 | 111 | D508 E509 L514 R515 E516 | D508-Q512 WeakPolarHBondContact O-CB 3.39Å; D508-Q512 PolarHBondContact O-N 3.04Å; E509-Q512 PolarHBondContact O-N 3.19Å; Q512-L514 PolarHBondContact O-N 3.31Å; Q512-R515 PolarHBondContact O-N 3.29Å; Q512-R515 VanDerWaalsContact O-N 3.12Å; Q512-E516 HydrophobicContact CG-CG 4.44Å; Q512-E516 VanDerWaalsContact CG-OE1 3.29Å; Q512-E516 WeakPolarHBondContact CG-OE1 3.49Å; Q512-E516 PolarHBondContact NE2-OE1 2.84Å; Q512-E516 WeakPolarHBondContact O-CG 3.39Å; Q512-E516 PolarHBondContact O-N 3.37Å |
| 513 | N | 93.1 | Very high | 91.8 | Very high | 60 Ų | 60 | 97.1 Ų | 97.1 | 32% | 0.321 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.1 | -34.7 | 175.1 | -85.4 | -86.3 | 0 | 0 | 0 | 112.8 | E509 K510 K517 | E509-N513 WeakPolarHBondContact O-CB 3.49Å; E509-N513 PolarHBondContact O-N 2.95Å; E509-N513 PolarHBondContact O-ND2 3.01Å; K510-N513 PolarHBondContact O-N 2.92Å; N513-K517 WeakPolarHBondContact O-CB 3.35Å; N513-K517 VanDerWaalsContact O-CG 3.24Å; N513-K517 WeakPolarHBondContact O-CG 3.32Å; N513-K517 PolarHBondContact O-N 3.46Å; N513-K517 VanDerWaalsContact O-N 3.1Å |
| 514 | L | 91.3 | Very high | 91.7 | Very high | 106 Ų | 106 | 96.6 Ų | 96.6 | 56% | 0.555 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72.8 | -41.2 | 176.1 | -77.6 | 169 | 0 | 0 | 0 | 111.9 | K510 E511 Q512 K517 T518 | K510-L514 WeakPolarHBondContact O-CB 3.5Å; K510-L514 VanDerWaalsContact O-CG 3.26Å; K510-L514 WeakPolarHBondContact O-CG 3.46Å; K510-L514 PolarHBondContact O-N 3Å; E511-L514 PolarHBondContact O-N 3.39Å; Q512-L514 PolarHBondContact O-N 3.31Å; L514-K517 PolarHBondContact O-N 3.35Å; L514-T518 WeakPolarHBondContact O-CB 3.5Å; L514-T518 PolarHBondContact O-N 3.37Å; L514-T518 PolarHBondContact O-OG1 2.8Å |
| 515 | R | 89.9 | Confident | 91.4 | Very high | 145 Ų | 145 | 98.4 Ų | 98.4 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 174.9 | -68 | 168.5 | -158.6 | 171.7 | 7.3 | 110.5 | E511 Q512 K517 T518 E519 | E511-R515 VanDerWaalsContact O-CG 3.27Å; E511-R515 WeakPolarHBondContact O-CG 3.31Å; E511-R515 PolarHBondContact O-N 2.89Å; E511-R515 IonicContact OE2-CZ 3.58Å; E511-R515 IonicContact OE2-NH2 2.7Å; E511-R515 PolarHBondContact OE2-NH2 2.91Å; Q512-R515 PolarHBondContact O-N 3.29Å; Q512-R515 VanDerWaalsContact O-N 3.12Å; R515-K517 VanDerWaalsContact C-N 3.35Å; R515-K517 PolarHBondContact O-N 2.85Å; R515-T518 WeakPolarHBondContact O-CA 3.47Å; R515-T518 WeakPolarHBondContact O-CB 3.41Å; R515-T518 PolarHBondContact O-N 2.91Å; R515-E519 PolarHBondContact O-N 3.04Å |
| 516 | E | 91.8 | Very high | 91.3 | Very high | 89 Ų | 89 | 100.5 Ų | 100.5 | 42% | 0.416 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.7 | -45.2 | 175.7 | -70.7 | 172 | -171.1 | 0 | 0 | 111.8 | Q512 T518 E519 V520 | Q512-E516 HydrophobicContact CG-CG 4.44Å; Q512-E516 VanDerWaalsContact CG-OE1 3.29Å; Q512-E516 WeakPolarHBondContact CG-OE1 3.49Å; Q512-E516 PolarHBondContact NE2-OE1 2.84Å; Q512-E516 WeakPolarHBondContact O-CG 3.39Å; Q512-E516 PolarHBondContact O-N 3.37Å; E516-T518 VanDerWaalsContact C-N 3.34Å; E516-T518 PolarHBondContact O-N 3.1Å; E516-E519 PolarHBondContact O-N 3.47Å; E516-V520 WeakPolarHBondContact O-CG2 3.36Å; E516-V520 PolarHBondContact O-N 3.49Å |
| 517 | K | 90.6 | Very high | 91.1 | Very high | 133 Ų | 133 | 100.4 Ų | 100.4 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.2 | -35.9 | 174 | -77.2 | 174.6 | -178.8 | -179.7 | 0 | 113.4 | N513 L514 R515 V520 L521 | N513-K517 WeakPolarHBondContact O-CB 3.35Å; N513-K517 VanDerWaalsContact O-CG 3.24Å; N513-K517 WeakPolarHBondContact O-CG 3.32Å; N513-K517 PolarHBondContact O-N 3.46Å; N513-K517 VanDerWaalsContact O-N 3.1Å; L514-K517 PolarHBondContact O-N 3.35Å; R515-K517 VanDerWaalsContact C-N 3.35Å; R515-K517 PolarHBondContact O-N 2.85Å; K517-V520 PolarHBondContact O-N 3.14Å; K517-L521 WeakPolarHBondContact O-CB 3.37Å; K517-L521 WeakPolarHBondContact O-CG 3.44Å; K517-L521 PolarHBondContact O-N 2.99Å |
| 518 | T | 90.8 | Very high | 91 | Very high | 88 Ų | 88 | 100.1 Ų | 100.1 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.9 | -39.3 | 178.7 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | L514 R515 E516 L521 L522 | L514-T518 WeakPolarHBondContact O-CB 3.5Å; L514-T518 PolarHBondContact O-N 3.37Å; L514-T518 PolarHBondContact O-OG1 2.8Å; R515-T518 WeakPolarHBondContact O-CA 3.47Å; R515-T518 WeakPolarHBondContact O-CB 3.41Å; R515-T518 PolarHBondContact O-N 2.91Å; E516-T518 VanDerWaalsContact C-N 3.34Å; E516-T518 PolarHBondContact O-N 3.1Å; T518-L521 PolarHBondContact O-N 3.04Å; T518-L522 WeakPolarHBondContact O-CB 3.28Å; T518-L522 PolarHBondContact O-N 3.13Å |
| 519 | E | 92.4 | Very high | 90.9 | Very high | 124 Ų | 124 | 100.3 Ų | 100.3 | 58% | 0.579 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 172.4 | -71.3 | 178.5 | -171.7 | 0 | 0 | 111.8 | R515 E516 L522 Q523 | R515-E519 PolarHBondContact O-N 3.04Å; E516-E519 PolarHBondContact O-N 3.47Å; E519-L522 PolarHBondContact O-N 3.05Å; E519-Q523 VanDerWaalsContact O-CG 3.3Å; E519-Q523 WeakPolarHBondContact O-CG 3.32Å; E519-Q523 PolarHBondContact O-N 2.93Å |
| 520 | V | 92.9 | Very high | 90.7 | Very high | 78 Ų | 78 | 102 Ų | 102 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | E516 K517 Q523 K524 | E516-V520 WeakPolarHBondContact O-CG2 3.36Å; E516-V520 PolarHBondContact O-N 3.49Å; K517-V520 PolarHBondContact O-N 3.14Å; V520-Q523 PolarHBondContact O-N 3.37Å; V520-K524 WeakPolarHBondContact O-CG 3.39Å; V520-K524 PolarHBondContact O-N 3.48Å |
| 521 | L | 89.1 | Confident | 90.6 | Very high | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -44.2 | 174.3 | -76.6 | 170.2 | 0 | 0 | 0 | 111.7 | K517 T518 Q523 K524 E525 | K517-L521 WeakPolarHBondContact O-CB 3.37Å; K517-L521 WeakPolarHBondContact O-CG 3.44Å; K517-L521 PolarHBondContact O-N 2.99Å; T518-L521 PolarHBondContact O-N 3.04Å; L521-Q523 VanDerWaalsContact C-N 3.31Å; L521-Q523 PolarHBondContact O-N 3.4Å; L521-K524 CarbonylContact O-C 3.54Å; L521-K524 WeakPolarHBondContact O-CA 3.42Å; L521-K524 PolarHBondContact O-N 2.94Å; L521-E525 WeakPolarHBondContact O-CG 3.46Å; L521-E525 PolarHBondContact O-N 2.83Å |
| 522 | L | 91.2 | Very high | 90.3 | Very high | 92 Ų | 92 | 103.8 Ų | 103.8 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 176.3 | -165.9 | 87.3 | 0 | 0 | 0 | 111.9 | T518 E519 K524 E525 Q526 | T518-L522 WeakPolarHBondContact O-CB 3.28Å; T518-L522 PolarHBondContact O-N 3.13Å; E519-L522 PolarHBondContact O-N 3.05Å; L522-K524 VanDerWaalsContact C-N 3.34Å; L522-E525 PolarHBondContact O-N 3.23Å; L522-Q526 VanDerWaalsContact O-CG 3.32Å; L522-Q526 WeakPolarHBondContact O-CG 3.35Å; L522-Q526 PolarHBondContact O-N 3.44Å |
| 523 | Q | 90.6 | Very high | 90.1 | Very high | 106 Ų | 106 | 105.1 Ų | 105.1 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 172.7 | -71.5 | 168.7 | 15.4 | 0 | 0 | 111.3 | E519 V520 L521 Q526 E527 | E519-Q523 VanDerWaalsContact O-CG 3.3Å; E519-Q523 WeakPolarHBondContact O-CG 3.32Å; E519-Q523 PolarHBondContact O-N 2.93Å; V520-Q523 PolarHBondContact O-N 3.37Å; L521-Q523 VanDerWaalsContact C-N 3.31Å; L521-Q523 PolarHBondContact O-N 3.4Å; Q523-Q526 PolarHBondContact O-N 3Å; Q523-E527 WeakPolarHBondContact O-CG 3.43Å; Q523-E527 PolarHBondContact O-N 3.32Å |
| 524 | K | 89.6 | Confident | 89.8 | Confident | 99 Ų | 99 | 104 Ų | 104 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 176.7 | -68.4 | -69.4 | 164.4 | -140.4 | 0 | 113.2 | V520 L521 L522 Q526 E527 I528 | V520-K524 WeakPolarHBondContact O-CG 3.39Å; V520-K524 PolarHBondContact O-N 3.48Å; L521-K524 CarbonylContact O-C 3.54Å; L521-K524 WeakPolarHBondContact O-CA 3.42Å; L521-K524 PolarHBondContact O-N 2.94Å; L522-K524 VanDerWaalsContact C-N 3.34Å; K524-Q526 VanDerWaalsContact C-N 3.34Å; K524-E527 WeakPolarHBondContact CD-OE2 3.39Å; K524-E527 IonicContact NZ-OE1 3.03Å; K524-E527 PolarHBondContact NZ-OE1 2.68Å; K524-E527 IonicContact NZ-OE2 3.63Å; K524-E527 PolarHBondContact NZ-OE2 2.92Å; K524-E527 PolarHBondContact O-N 3.1Å; K524-I528 VanDerWaalsContact O-CG1 3.27Å; K524-I528 WeakPolarHBondContact O-CG1 3.48Å; K524-I528 PolarHBondContact O-N 2.9Å |
| 525 | E | 89.1 | Confident | 89.5 | Confident | 115 Ų | 115 | 104.7 Ų | 104.7 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 171.2 | -72.3 | 177.8 | 168.7 | 0 | 0 | 111.5 | L521 L522 I528 L529 | L521-E525 WeakPolarHBondContact O-CG 3.46Å; L521-E525 PolarHBondContact O-N 2.83Å; L522-E525 PolarHBondContact O-N 3.23Å; E525-I528 PolarHBondContact O-N 2.89Å; E525-L529 WeakPolarHBondContact O-CG 3.43Å; E525-L529 PolarHBondContact O-N 2.79Å |
| 526 | Q | 91.3 | Very high | 89.5 | Confident | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 174.2 | -71.5 | 173.9 | 20.2 | 0 | 0 | 112.6 | L522 Q523 K524 L529 Q530 | L522-Q526 VanDerWaalsContact O-CG 3.32Å; L522-Q526 WeakPolarHBondContact O-CG 3.35Å; L522-Q526 PolarHBondContact O-N 3.44Å; Q523-Q526 PolarHBondContact O-N 3Å; K524-Q526 VanDerWaalsContact C-N 3.34Å; Q526-L529 PolarHBondContact O-N 3.12Å; Q526-Q530 WeakPolarHBondContact O-CG 3.41Å; Q526-Q530 PolarHBondContact O-N 2.91Å |
| 527 | E | 89.9 | Confident | 89.3 | Confident | 84 Ų | 84 | 100.4 Ų | 100.4 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 171.4 | -74.5 | 173.4 | -150.5 | 0 | 0 | 111.3 | Q523 K524 Q530 L531 | Q523-E527 WeakPolarHBondContact O-CG 3.43Å; Q523-E527 PolarHBondContact O-N 3.32Å; K524-E527 WeakPolarHBondContact CD-OE2 3.39Å; K524-E527 IonicContact NZ-OE1 3.03Å; K524-E527 PolarHBondContact NZ-OE1 2.68Å; K524-E527 IonicContact NZ-OE2 3.63Å; K524-E527 PolarHBondContact NZ-OE2 2.92Å; K524-E527 PolarHBondContact O-N 3.1Å; E527-Q530 PolarHBondContact O-N 2.89Å; E527-L531 WeakPolarHBondContact O-CG 3.03Å; E527-L531 PolarHBondContact O-N 3.36Å |
| 528 | I | 88.4 | Confident | 89 | Confident | 90 Ų | 90 | 96.4 Ų | 96.4 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 176.9 | -70 | 163.8 | 0 | 0 | 0 | 110.7 | K524 E525 Q530 L531 E532 | K524-I528 VanDerWaalsContact O-CG1 3.27Å; K524-I528 WeakPolarHBondContact O-CG1 3.48Å; K524-I528 PolarHBondContact O-N 2.9Å; E525-I528 PolarHBondContact O-N 2.89Å; I528-Q530 VanDerWaalsContact C-N 3.28Å; I528-Q530 PolarHBondContact O-N 3.46Å; I528-L531 CarbonylContact O-C 3.57Å; I528-L531 WeakPolarHBondContact O-CA 3.27Å; I528-L531 WeakPolarHBondContact O-CB 3.46Å; I528-L531 PolarHBondContact O-N 2.77Å; I528-L531 VanDerWaalsContact O-N 3.07Å; I528-E532 HydrophobicContact CG2-CG 4.29Å; I528-E532 WeakPolarHBondContact O-CG 3.49Å; I528-E532 PolarHBondContact O-N 3.4Å |
| 529 | L | 89.1 | Confident | 88.9 | Confident | 94 Ų | 94 | 95.2 Ų | 95.2 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -36 | 177.5 | -73.8 | 168.5 | 0 | 0 | 0 | 112.6 | E525 Q526 Q533 | E525-L529 WeakPolarHBondContact O-CG 3.43Å; E525-L529 PolarHBondContact O-N 2.79Å; Q526-L529 PolarHBondContact O-N 3.12Å; L529-Q533 VanDerWaalsContact O-CG 3.29Å; L529-Q533 WeakPolarHBondContact O-CG 3.3Å; L529-Q533 PolarHBondContact O-N 3.4Å |
| 530 | Q | 89.7 | Confident | 88.6 | Confident | 131 Ų | 131 | 94.8 Ų | 94.8 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 173.1 | -71.4 | 173.8 | 23.8 | 0 | 0 | 111.7 | Q526 E527 I528 Q533 G534 | Q526-Q530 WeakPolarHBondContact O-CG 3.41Å; Q526-Q530 PolarHBondContact O-N 2.91Å; E527-Q530 PolarHBondContact O-N 2.89Å; I528-Q530 VanDerWaalsContact C-N 3.28Å; I528-Q530 PolarHBondContact O-N 3.46Å; Q530-Q533 PolarHBondContact O-N 2.92Å; Q530-G534 PolarHBondContact O-N 2.88Å |
| 531 | L | 87.9 | Confident | 88.3 | Confident | 127 Ų | 127 | 96.7 Ų | 96.7 | 67% | 0.665 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.9 | -37.3 | 175.1 | -70.2 | 169.7 | 0 | 0 | 0 | 112.1 | E527 I528 G534 H535 | E527-L531 WeakPolarHBondContact O-CG 3.03Å; E527-L531 PolarHBondContact O-N 3.36Å; I528-L531 CarbonylContact O-C 3.57Å; I528-L531 WeakPolarHBondContact O-CA 3.27Å; I528-L531 WeakPolarHBondContact O-CB 3.46Å; I528-L531 PolarHBondContact O-N 2.77Å; I528-L531 VanDerWaalsContact O-N 3.07Å; L531-G534 PolarHBondContact O-N 3.33Å; L531-H535 WeakPolarHBondContact O-CB 3.43Å; L531-H535 PolarHBondContact O-N 3.03Å |
| 532 | E | 85.1 | Confident | 87.9 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 174 | -74.5 | -177.5 | 166.8 | 0 | 0 | 111.9 | I528 G534 H535 N536 | I528-E532 HydrophobicContact CG2-CG 4.29Å; I528-E532 WeakPolarHBondContact O-CG 3.49Å; I528-E532 PolarHBondContact O-N 3.4Å; E532-G534 VanDerWaalsContact C-N 3.35Å; E532-H535 PolarHBondContact O-N 2.95Å; E532-N536 WeakPolarHBondContact O-CB 3.36Å; E532-N536 VanDerWaalsContact O-CG 3.26Å; E532-N536 PolarHBondContact O-N 2.87Å; E532-N536 PolarHBondContact O-ND2 3.45Å |
| 533 | Q | 88.5 | Confident | 87.5 | Confident | 136 Ų | 136 | 96.3 Ų | 96.3 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 172.1 | -72.8 | 174.5 | 18.3 | 0 | 0 | 111.5 | L529 Q530 N536 S537 | L529-Q533 VanDerWaalsContact O-CG 3.29Å; L529-Q533 WeakPolarHBondContact O-CG 3.3Å; L529-Q533 PolarHBondContact O-N 3.4Å; Q530-Q533 PolarHBondContact O-N 2.92Å; Q533-N536 PolarHBondContact O-N 2.95Å; Q533-S537 WeakPolarHBondContact O-CB 3.38Å; Q533-S537 PolarHBondContact O-N 3.44Å; Q533-S537 PolarHBondContact O-OG 2.83Å; Q533-S537 VanDerWaalsContact O-OG 3.1Å |
| 534 | G | 86.8 | Confident | 87.2 | Confident | 36 Ų | 36 | 97.1 Ų | 97.1 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q530 L531 E532 S537 A538 | Q530-G534 PolarHBondContact O-N 2.88Å; L531-G534 PolarHBondContact O-N 3.33Å; E532-G534 VanDerWaalsContact C-N 3.35Å; G534-S537 PolarHBondContact O-N 3.48Å; G534-S537 PolarHBondContact O-OG 2.87Å; G534-A538 WeakPolarHBondContact O-CB 3.28Å; G534-A538 PolarHBondContact O-N 3.14Å |
| 535 | H | 85.5 | Confident | 86.9 | Confident | 121 Ų | 121 | 97.4 Ų | 97.4 | 56% | 0.56 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.5 | -47.4 | 177.9 | -178.1 | 67.1 | 0 | 0 | 0 | 112.2 | L531 E532 S537 A538 L539 | L531-H535 WeakPolarHBondContact O-CB 3.43Å; L531-H535 PolarHBondContact O-N 3.03Å; E532-H535 PolarHBondContact O-N 2.95Å; H535-S537 VanDerWaalsContact C-N 3.35Å; H535-S537 PolarHBondContact O-N 2.92Å; H535-A538 PolarHBondContact O-N 2.97Å; H535-L539 WeakPolarHBondContact O-CB 3.37Å; H535-L539 PolarHBondContact O-N 3.42Å |
| 536 | N | 89.3 | Confident | 86.4 | Confident | 87 Ų | 87 | 96.2 Ų | 96.2 | 47% | 0.465 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 178.7 | -74.7 | -41.7 | 0 | 0 | 0 | 112.3 | E532 Q533 L539 L540 | E532-N536 WeakPolarHBondContact O-CB 3.36Å; E532-N536 VanDerWaalsContact O-CG 3.26Å; E532-N536 PolarHBondContact O-N 2.87Å; E532-N536 PolarHBondContact O-ND2 3.45Å; Q533-N536 PolarHBondContact O-N 2.95Å; N536-L539 PolarHBondContact O-N 2.88Å; N536-L540 WeakPolarHBondContact O-CB 3.37Å; N536-L540 PolarHBondContact O-N 3.43Å |
| 537 | S | 87.4 | Confident | 85.8 | Confident | 58 Ų | 58 | 94.1 Ų | 94.1 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 174.9 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | Q533 G534 H535 L540 Q541 | Q533-S537 WeakPolarHBondContact O-CB 3.38Å; Q533-S537 PolarHBondContact O-N 3.44Å; Q533-S537 PolarHBondContact O-OG 2.83Å; Q533-S537 VanDerWaalsContact O-OG 3.1Å; G534-S537 PolarHBondContact O-N 3.48Å; G534-S537 PolarHBondContact O-OG 2.87Å; H535-S537 VanDerWaalsContact C-N 3.35Å; H535-S537 PolarHBondContact O-N 2.92Å; S537-L540 PolarHBondContact O-N 2.89Å; S537-Q541 WeakPolarHBondContact O-CG 3.24Å; S537-Q541 PolarHBondContact O-N 3.32Å |
| 538 | A | 85.4 | Confident | 85.3 | Confident | 48 Ų | 48 | 95.7 Ų | 95.7 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G534 H535 Q541 M542 | G534-A538 WeakPolarHBondContact O-CB 3.28Å; G534-A538 PolarHBondContact O-N 3.14Å; H535-A538 PolarHBondContact O-N 2.97Å; A538-Q541 PolarHBondContact O-N 2.93Å; A538-M542 WeakPolarHBondContact O-CB 3.49Å; A538-M542 PolarHBondContact O-N 2.97Å |
| 539 | L | 87.6 | Confident | 84.7 | Confident | 64 Ų | 64 | 96.2 Ų | 96.2 | 34% | 0.335 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 175.4 | -162.3 | 105.9 | 0 | 0 | 0 | 111.4 | H535 N536 M542 H543 | H535-L539 WeakPolarHBondContact O-CB 3.37Å; H535-L539 PolarHBondContact O-N 3.42Å; N536-L539 PolarHBondContact O-N 2.88Å; L539-M542 HydrophobicContact CD1-CE 4.29Å; L539-M542 HydrophobicContact CG-CE 4.39Å; L539-M542 WeakPolarHBondContact O-CB 3.15Å; L539-M542 PolarHBondContact O-N 2.89Å; L539-H543 PolarHBondContact O-CD2 3.28Å; L539-H543 PolarHBondContact O-N 3.23Å |
| 540 | L | 86.1 | Confident | 84.1 | Confident | 114 Ų | 114 | 96.5 Ų | 96.5 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61 | -44.5 | 171.7 | -93.3 | 152.5 | 0 | 0 | 0 | 112.2 | N536 S537 H543 Q544 | N536-L540 WeakPolarHBondContact O-CB 3.37Å; N536-L540 PolarHBondContact O-N 3.43Å; S537-L540 PolarHBondContact O-N 2.89Å; L540-H543 PolarHBondContact O-N 3.48Å; L540-Q544 PolarHBondContact O-N 3.13Å |
| 541 | Q | 86.4 | Confident | 83.4 | Confident | 119 Ų | 119 | 92.6 Ų | 92.6 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 174.2 | -72.6 | 173.6 | 2.1 | 0 | 0 | 111.9 | S537 A538 H543 Q544 L545 | S537-Q541 WeakPolarHBondContact O-CG 3.24Å; S537-Q541 PolarHBondContact O-N 3.32Å; A538-Q541 PolarHBondContact O-N 2.93Å; Q541-H543 PolarHBondContact O-N 3.28Å; Q541-Q544 PolarHBondContact O-N 3.35Å; Q541-L545 WeakPolarHBondContact O-CG 3.29Å; Q541-L545 PolarHBondContact O-N 2.95Å |
| 542 | M | 80.9 | Confident | 82.7 | Confident | 91 Ų | 91 | 91.6 Ų | 91.6 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 174.5 | -175.3 | -167.8 | 74.6 | 0 | 0 | 111.2 | A538 L539 L545 Q546 | A538-M542 WeakPolarHBondContact O-CB 3.49Å; A538-M542 PolarHBondContact O-N 2.97Å; L539-M542 HydrophobicContact CD1-CE 4.29Å; L539-M542 HydrophobicContact CG-CE 4.39Å; L539-M542 WeakPolarHBondContact O-CB 3.15Å; L539-M542 PolarHBondContact O-N 2.89Å; M542-L545 PolarHBondContact O-N 3.29Å; M542-Q546 VanDerWaalsContact O-CB 3.27Å; M542-Q546 WeakPolarHBondContact O-CB 3.37Å; M542-Q546 PolarHBondContact O-N 3Å |
| 543 | H | 83.9 | Confident | 82.2 | Confident | 102 Ų | 102 | 95 Ų | 95 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 176.1 | -78.3 | -59.3 | 0 | 0 | 0 | 113 | L539 L540 Q541 Q546 A547 | L539-H543 PolarHBondContact O-CD2 3.28Å; L539-H543 PolarHBondContact O-N 3.23Å; L540-H543 PolarHBondContact O-N 3.48Å; Q541-H543 PolarHBondContact O-N 3.28Å; H543-Q546 PolarHBondContact O-N 2.82Å; H543-A547 WeakPolarHBondContact O-CB 3.4Å; H543-A547 PolarHBondContact O-N 3.24Å |
| 544 | Q | 84.1 | Confident | 81 | Confident | 123 Ų | 123 | 92.6 Ų | 92.6 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.3 | -50.4 | 172.7 | -78.8 | -178.4 | -56.1 | 0 | 0 | 111.7 | L540 Q541 Q546 A547 E548 | L540-Q544 PolarHBondContact O-N 3.13Å; Q541-Q544 PolarHBondContact O-N 3.35Å; Q544-Q546 PolarHBondContact O-N 2.94Å; Q544-A547 PolarHBondContact O-N 2.8Å; Q544-A547 VanDerWaalsContact O-N 3.14Å; Q544-E548 WeakPolarHBondContact O-CG 3.06Å; Q544-E548 PolarHBondContact O-N 2.92Å |
| 545 | L | 82.1 | Confident | 79.8 | Confident | 104 Ų | 104 | 95.9 Ų | 95.9 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -35.2 | 176.5 | -70.3 | 169.9 | 0 | 0 | 0 | 112 | Q541 M542 E548 L549 | Q541-L545 WeakPolarHBondContact O-CG 3.29Å; Q541-L545 PolarHBondContact O-N 2.95Å; M542-L545 PolarHBondContact O-N 3.29Å; L545-E548 PolarHBondContact O-N 2.83Å; L545-L549 WeakPolarHBondContact O-CB 3.45Å; L545-L549 VanDerWaalsContact O-CG 3.29Å; L545-L549 WeakPolarHBondContact O-CG 3.47Å; L545-L549 PolarHBondContact O-N 3.28Å |
| 546 | Q | 79.9 | Confident | 78.6 | Confident | 91 Ų | 91 | 97.8 Ų | 97.8 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.1 | -39.1 | 176.3 | -169.7 | 163.8 | -16.3 | 0 | 0 | 112 | M542 H543 Q544 L549 E550 | M542-Q546 VanDerWaalsContact O-CB 3.27Å; M542-Q546 WeakPolarHBondContact O-CB 3.37Å; M542-Q546 PolarHBondContact O-N 3Å; H543-Q546 PolarHBondContact O-N 2.82Å; Q544-Q546 PolarHBondContact O-N 2.94Å; Q546-L549 PolarHBondContact O-N 3.39Å; Q546-E550 WeakPolarHBondContact O-CG 3.49Å; Q546-E550 PolarHBondContact O-N 3.37Å |
| 547 | A | 77.8 | Confident | 77.1 | Confident | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | H543 Q544 E550 A551 | H543-A547 WeakPolarHBondContact O-CB 3.4Å; H543-A547 PolarHBondContact O-N 3.24Å; Q544-A547 PolarHBondContact O-N 2.8Å; Q544-A547 VanDerWaalsContact O-N 3.14Å; A547-E550 PolarHBondContact O-N 3.25Å; A547-A551 PolarHBondContact O-N 3.13Å |
| 548 | E | 78.8 | Confident | 75.4 | Confident | 118 Ų | 118 | 101 Ų | 101 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 173.2 | -72.2 | 176.7 | -175.8 | 0 | 0 | 111.9 | Q544 L545 E550 A551 L552 | Q544-E548 WeakPolarHBondContact O-CG 3.06Å; Q544-E548 PolarHBondContact O-N 2.92Å; L545-E548 PolarHBondContact O-N 2.83Å; E548-E550 VanDerWaalsContact C-N 3.31Å; E548-E550 PolarHBondContact O-N 2.79Å; E548-A551 PolarHBondContact O-N 3.38Å; E548-L552 WeakPolarHBondContact O-CG 3.35Å; E548-L552 PolarHBondContact O-N 3.19Å |
| 549 | L | 76.7 | Confident | 73.8 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -34.9 | 173.8 | -75.2 | 171.2 | 0 | 0 | 0 | 112.6 | L545 Q546 R553 | L545-L549 WeakPolarHBondContact O-CB 3.45Å; L545-L549 VanDerWaalsContact O-CG 3.29Å; L545-L549 WeakPolarHBondContact O-CG 3.47Å; L545-L549 PolarHBondContact O-N 3.28Å; Q546-L549 PolarHBondContact O-N 3.39Å; L549-R553 VanDerWaalsContact O-CG 3.3Å; L549-R553 WeakPolarHBondContact O-CG 3.27Å; L549-R553 PolarHBondContact O-N 3.46Å; L549-R553 VanDerWaalsContact O-N 3.16Å |
| 550 | E | 76.8 | Confident | 71.9 | Confident | 100 Ų | 100 | 107.4 Ų | 107.4 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.3 | -41.6 | 174.9 | -74.9 | 172.7 | -170.3 | 0 | 0 | 111.8 | Q546 A547 E548 L552 R553 T554 | Q546-E550 WeakPolarHBondContact O-CG 3.49Å; Q546-E550 PolarHBondContact O-N 3.37Å; A547-E550 PolarHBondContact O-N 3.25Å; E548-E550 VanDerWaalsContact C-N 3.31Å; E548-E550 PolarHBondContact O-N 2.79Å; E550-L552 VanDerWaalsContact C-N 3.33Å; E550-L552 PolarHBondContact O-N 3.34Å; E550-R553 WeakPolarHBondContact O-CB 3.47Å; E550-R553 PolarHBondContact O-N 3.07Å; E550-R553 VanDerWaalsContact O-N 3.08Å; E550-T554 PolarHBondContact O-N 2.9Å; E550-T554 PolarHBondContact O-OG1 3.37Å |
| 551 | A | 74.6 | Confident | 70 | Confident | 50 Ų | 50 | 106 Ų | 106 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.8 | -36.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A547 E548 R553 T554 L555 | A547-A551 PolarHBondContact O-N 3.13Å; E548-A551 PolarHBondContact O-N 3.38Å; A551-R553 VanDerWaalsContact C-N 3.33Å; A551-T554 WeakPolarHBondContact CA-OG1 3.25Å; A551-T554 PolarHBondContact O-N 3.35Å; A551-T554 PolarHBondContact O-OG1 3.47Å; A551-L555 PolarHBondContact O-N 2.76Å; A551-L555 VanDerWaalsContact O-N 3.16Å |
| 552 | L | 72.3 | Confident | 67.9 | Low | 106 Ų | 106 | 104.5 Ų | 104.5 | 56% | 0.555 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.4 | -26.6 | 173.4 | -71.4 | 171 | 0 | 0 | 0 | 112.9 | E548 E550 K556 | E548-L552 WeakPolarHBondContact O-CG 3.35Å; E548-L552 PolarHBondContact O-N 3.19Å; E550-L552 VanDerWaalsContact C-N 3.33Å; E550-L552 PolarHBondContact O-N 3.34Å; L552-K556 PolarHBondContact O-N 3.24Å |
| 553 | R | 75.9 | Confident | 66.2 | Low | 172 Ų | 172 | 106.8 Ų | 106.8 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.5 | -38.3 | 172.5 | -76.5 | 167.8 | 175.5 | 162.5 | -0.4 | 111.8 | L549 E550 A551 K556 A557 | L549-R553 VanDerWaalsContact O-CG 3.3Å; L549-R553 WeakPolarHBondContact O-CG 3.27Å; L549-R553 PolarHBondContact O-N 3.46Å; L549-R553 VanDerWaalsContact O-N 3.16Å; E550-R553 WeakPolarHBondContact O-CB 3.47Å; E550-R553 PolarHBondContact O-N 3.07Å; E550-R553 VanDerWaalsContact O-N 3.08Å; A551-R553 VanDerWaalsContact C-N 3.33Å; R553-K556 PolarHBondContact O-N 2.79Å; R553-A557 PolarHBondContact O-N 3.41Å; R553-A557 VanDerWaalsContact O-N 3.15Å |
| 554 | T | 62.3 | Low | 63.9 | Low | 84 Ų | 84 | 107.6 Ų | 107.6 | 52% | 0.515 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.1 | -42.4 | 176.5 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | E550 A551 K556 A557 E558 | E550-T554 PolarHBondContact O-N 2.9Å; E550-T554 PolarHBondContact O-OG1 3.37Å; A551-T554 WeakPolarHBondContact CA-OG1 3.25Å; A551-T554 PolarHBondContact O-N 3.35Å; A551-T554 PolarHBondContact O-OG1 3.47Å; T554-K556 VanDerWaalsContact C-N 3.31Å; T554-K556 PolarHBondContact O-N 2.86Å; T554-A557 WeakPolarHBondContact O-CB 3.27Å; T554-A557 PolarHBondContact O-N 2.88Å; T554-E558 PolarHBondContact O-N 2.88Å |
| 555 | L | 62.5 | Low | 61.3 | Low | 106 Ų | 106 | 110.4 Ų | 110.4 | 56% | 0.555 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.3 | -39.4 | 175.1 | -81.3 | 162.5 | 0 | 0 | 0 | 112.7 | A551 A557 E558 E559 | A551-L555 PolarHBondContact O-N 2.76Å; A551-L555 VanDerWaalsContact O-N 3.16Å; L555-A557 VanDerWaalsContact C-N 3.3Å; L555-A557 PolarHBondContact O-N 3.33Å; L555-E558 PolarHBondContact O-N 2.87Å; L555-E559 PolarHBondContact O-N 3.19Å |
| 556 | K | 60.3 | Low | 58.8 | Low | 161 Ų | 161 | 113.6 Ų | 113.6 | 70% | 0.7 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.6 | -22.5 | 173.8 | -77.7 | -173 | 173.5 | -175.7 | 0 | 114.3 | L552 R553 T554 | L552-K556 PolarHBondContact O-N 3.24Å; R553-K556 PolarHBondContact O-N 2.79Å; T554-K556 VanDerWaalsContact C-N 3.31Å; T554-K556 PolarHBondContact O-N 2.86Å |
| 557 | A | 58.3 | Low | 56.5 | Low | 66 Ų | 66 | 117.9 Ų | 117.9 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -77.5 | -28.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R553 T554 L555 | R553-A557 PolarHBondContact O-N 3.41Å; R553-A557 VanDerWaalsContact O-N 3.15Å; T554-A557 WeakPolarHBondContact O-CB 3.27Å; T554-A557 PolarHBondContact O-N 2.88Å; L555-A557 VanDerWaalsContact C-N 3.3Å; L555-A557 PolarHBondContact O-N 3.33Å |
| 558 | E | 51.4 | Low | 54.1 | Low | 147 Ų | 147 | 122.3 Ų | 122.3 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.4 | -33.8 | -180 | -69.2 | 179.6 | 155.4 | 0 | 0 | 113.1 | T554 L555 A560 | T554-E558 PolarHBondContact O-N 2.88Å; L555-E558 PolarHBondContact O-N 2.87Å; E558-A560 VanDerWaalsContact C-N 3.26Å; E558-A560 PolarHBondContact O-N 3.3Å |
| 559 | E | 52 | Low | 51.8 | Low | 169 Ų | 169 | 124.8 Ų | 124.8 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.2 | -21.4 | 171.9 | -74.5 | -172.4 | 136.3 | 0 | 0 | 113.5 | L555 | L555-E559 PolarHBondContact O-N 3.19Å |
| 560 | A | 47.4 | Very low | 49.6 | Very low | 77 Ų | 77 | 127.6 Ų | 127.6 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -84.6 | -5.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E558 | E558-A560 VanDerWaalsContact C-N 3.26Å; E558-A560 PolarHBondContact O-N 3.3Å |
| 561 | A | 45 | Very low | 47.5 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -88.9 | 3.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 562 | A | 42.3 | Very low | 45.4 | Very low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -106.8 | 5.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 563 | V | 46.3 | Very low | 43.2 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -125.4 | 105.5 | 172.2 | -178 | 0 | 0 | 0 | 0 | 109.1 | ||
| 564 | T | 34.5 | Very low | 41.6 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -84.1 | 148 | -178 | 44.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 565 | E | 29.7 | Very low | 40.4 | Very low | 183 Ų | 183 | 142.3 Ų | 142.3 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | 76.3 | 139.4 | 158 | -69.7 | -176.4 | 165.7 | 0 | 0 | 120.1 | ||||
| 566 | Q | 30.1 | Very low | 38.7 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 101.3 | 85.4 | 146.1 | -159.5 | 153.6 | 0.1 | 0 | 0 | 118 | ||||
| 567 | E | 31.1 | Very low | 37.1 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | -178.3 | 136.4 | 106.8 | -98.3 | -178.2 | 169.7 | 0 | 0 | 114.3 | |||||
| 568 | D | 28.6 | Very low | 35.5 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -61.8 | 147.3 | 167.8 | -63.3 | -67.5 | 0 | 0 | 0 | 113.3 | ||||
| 569 | L | 29.7 | Very low | 34.2 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | 172.7 | 141.1 | 107.1 | -94.2 | 168.5 | 0 | 0 | 0 | 114.4 | |||||
| 570 | L | 31.2 | Very low | 32.9 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -67.5 | 137.4 | 172.1 | -67.1 | 149.1 | 0 | 0 | 0 | 112.4 | ||||
| 571 | R | 32.2 | Very low | 31.9 | Very low | 242 Ų | 242 | 147.1 Ų | 147.1 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | -177.3 | 147.1 | 113.3 | -104 | 173.7 | 179.2 | -177.4 | 0.9 | 116.2 | |||||
| 572 | L | 29.5 | Very low | 30.9 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -51.1 | 135.1 | 159.1 | -80.6 | 59.5 | 0 | 0 | 0 | 111.4 | ||||
| 573 | R | 26.3 | Very low | 30.2 | Very low | 230 Ų | 230 | 149.4 Ų | 149.4 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | -175.6 | 109.6 | 102.8 | -168.8 | 169.4 | -163.8 | 162.8 | 3.2 | 109.6 | P575 | R573-P575 VanDerWaalsContact O-CD 3.25Å; R573-P575 WeakPolarHBondContact O-CD 3.28Å | |||
| 574 | G | 43.8 | Very low | 29.6 | Very low | 79 Ų | 79 | 146.5 Ų | 146.5 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -67.2 | 130.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 575 | P | 37.1 | Very low | 29 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | -148.4 | 165.1 | 127 | 40.3 | -25.8 | 0 | 0 | 0 | 114.7 | R573 | R573-P575 VanDerWaalsContact O-CD 3.25Å; R573-P575 WeakPolarHBondContact O-CD 3.28Å | |||
| 576 | L | 25.4 | Very low | 28.8 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | 44.7 | 104.8 | 140.4 | -63 | 164.5 | 0 | 0 | 0 | 119 | ||||
| 577 | Q | 27.1 | Very low | 28.5 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | -156.6 | 122.9 | 98.7 | -116.3 | 136.6 | 16.1 | 0 | 0 | 107.4 | |||||
| 578 | A | 24.7 | Very low | 28.2 | Very low | 69 Ų | 69 | 140.9 Ų | 140.9 | 57% | 0.57 | 76% | 0.758 | S | S | * | * | 55.8 | 126.6 | 61.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 579 | E | 24.2 | Very low | 28.1 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | cis | 171.1 | -160.1 | 17.1 | 169.2 | 168.9 | -163 | 0 | 0 | 101.6 | ||||
| 580 | V | 24.2 | Very low | 28.2 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | 69.4 | 108.8 | 163 | -171.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 581 | L | 26 | Very low | 28 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 71% | 0.707 | 75% | 0.749 | S | S | * | * | cis | 167.8 | 151.6 | -4.6 | -117.9 | 158.6 | 0 | 0 | 0 | 102.8 | ||||
| 582 | S | 25.2 | Very low | 27.9 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | 58.7 | 166.8 | 141.9 | 76.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 583 | V | 28.4 | Very low | 28 | Very low | 127 Ų | 127 | 131 Ų | 131 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | cis | -126.1 | 104.5 | 20.7 | 164 | 0 | 0 | 0 | 0 | 107 | ||||
| 584 | S | 32.3 | Very low | 28.2 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 55% | 0.552 | 73% | 0.725 | S | S | * | * | 96.7 | 132.3 | 92.3 | -62.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 585 | E | 22.5 | Very low | 28 | Very low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | 45.4 | 122.6 | 72.9 | -62 | -171.4 | 143.7 | 0 | 0 | 110.4 | |||||
| 586 | S | 25.7 | Very low | 28.2 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | 179.5 | 140.5 | 67.5 | 48.3 | 0 | 0 | 0 | 0 | 106 | |||||
| 587 | H | 24.1 | Very low | 28.3 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | 68.2 | 143.5 | 108.9 | -64.1 | -30.5 | 0 | 0 | 0 | 114.6 | |||||
| 588 | V | 24.3 | Very low | 28.4 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | cis | -166.3 | 166.3 | 4.1 | 112.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 589 | T | 26.8 | Very low | 28.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 74% | 0.737 | S | S | * | * | trans | 65.7 | 147.1 | 168 | 43.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 590 | S | 31.3 | Very low | 28.9 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | cis | -157.8 | 143.8 | 14.6 | -131.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 591 | R | 27.4 | Very low | 29.8 | Very low | 228 Ų | 228 | 134.6 Ų | 134.6 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | 84.6 | 137.4 | 136.3 | -155.6 | 176.1 | -165.8 | 164.2 | 3.6 | 120.5 | ||||
| 592 | A | 29.6 | Very low | 29.8 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | trans | 72.7 | 133.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 593 | M | 31.1 | Very low | 30.3 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | cis | -153.7 | 143.5 | -13.6 | -98.7 | -49.9 | 179.1 | 0 | 0 | 110.1 | ||||
| 594 | Q | 30.7 | Very low | 30.3 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 46.4 | 108.5 | 143.6 | -63.2 | 170.3 | 9.1 | 0 | 0 | 120.2 | ||||
| 595 | D | 39.9 | Very low | 30.4 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -122.9 | 117.2 | 141.2 | -120.9 | -26.5 | 0 | 0 | 0 | 107 | ||||
| 596 | P | 40.7 | Very low | 31.4 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | -150.2 | 136.8 | 137 | 35.5 | -17.6 | 0 | 0 | 0 | 116.2 | ||||
| 597 | V | 28.5 | Very low | 32.1 | Very low | 120 Ų | 120 | 138 Ų | 138 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 62.2 | 109.3 | 125.2 | -177.7 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 598 | F | 29.8 | Very low | 32.6 | Very low | 188 Ų | 188 | 137.7 Ų | 137.7 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 69.6 | 138.8 | 155.9 | -74.7 | -125.1 | 0 | 0 | 0 | 116.3 | ||||
| 599 | Q | 29.3 | Very low | 33.7 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | cis | -158.1 | 174.7 | 45.1 | -130.4 | 161.6 | 58.8 | 0 | 0 | 113.2 | ||||
| 600 | L | 29.6 | Very low | 34.2 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -42.2 | 173.4 | 172.6 | -91.5 | 66.6 | 0 | 0 | 0 | 117.6 | ||||
| 601 | P | 42.2 | Very low | 34.8 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | cis | -125.8 | 177.3 | -33.4 | 31.3 | -10.5 | 0 | 0 | 0 | 110.5 | ||||
| 602 | T | 25.7 | Very low | 35.6 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | -179.4 | 164.7 | 64.7 | -45.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 603 | A | 35.5 | Very low | 36.7 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | -53.7 | 142.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 604 | G | 29.3 | Very low | 37.9 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -149 | 54.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 605 | R | 33.5 | Very low | 39.4 | Very low | 233 Ų | 233 | 125.4 Ų | 125.4 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | trans | -68.2 | 135.3 | 176.4 | -174.4 | -176 | -169.2 | 176.3 | 4.6 | 109.4 | P607 | R605-P607 WeakPolarHBondContact O-CD 3.27Š| ||
| 606 | T | 43.9 | Very low | 40.7 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | trans | -70.7 | 129.8 | 171.1 | 42.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 607 | P | 41.5 | Very low | 42.2 | Very low | 94 Ų | 94 | 119.3 Ų | 119.3 | 61% | 0.61 | 70% | 0.701 | S | S | * | * | trans | -109 | 147.3 | 133.6 | 37.7 | -32 | 0 | 0 | 0 | 108.1 | R605 | R605-P607 WeakPolarHBondContact O-CD 3.27Š| ||
| 608 | N | 34.8 | Very low | 44.5 | Very low | 158 Ų | 158 | 118.7 Ų | 118.7 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | S | Bend | 47.1 | 134.6 | 72.7 | -81.9 | -5.7 | 0 | 0 | 0 | 113.8 | E610 | N608-E610 PolarHBondContact O-N 3.36Å; N608-E610 VanDerWaalsContact O-N 3.13Å | |
| 609 | G | 47.3 | Very low | 46.9 | Very low | 88 Ų | 88 | 115.2 Ų | 115.2 | 91% | 0.907 | 68% | 0.68 | S | S | * | * | trans | -60.1 | 114 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 610 | E | 37.1 | Very low | 49.2 | Very low | 153 Ų | 153 | 112.3 Ų | 112.3 | 72% | 0.715 | 67% | 0.666 | S | S | * | * | trans | -121.2 | 92.4 | 156.3 | -104 | 178 | 161.7 | 0 | 0 | 107 | N608 G612 | N608-E610 PolarHBondContact O-N 3.36Å; N608-E610 VanDerWaalsContact O-N 3.13Å; E610-G612 PolarHBondContact O-N 3.49Å; E610-G612 VanDerWaalsContact O-N 3.1Å | ||
| 611 | V | 44 | Very low | 52 | Low | 105 Ų | 105 | 111 Ų | 111 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | trans | -55.4 | 113.6 | 145.9 | 172.2 | 0 | 0 | 0 | 0 | 103.7 | A613 D615 L616 | V611-A613 PolarHBondContact O-N 3.26Å; V611-D615 HydrophobicContact CG1-CB 4.34Å; V611-L616 HydrophobicContact CG1-CB 4.46Å; V611-L616 HydrophobicContact CG1-CD1 4.22Å | ||
| 612 | G | 43.7 | Very low | 54 | Low | 24 Ų | 24 | 110.4 Ų | 110.4 | 25% | 0.247 | 64% | 0.642 | C | S | . | * | trans | -51.6 | 138.7 | -159 | 0 | 0 | 0 | 0 | 0 | 111 | E610 M614 D615 L616 | E610-G612 PolarHBondContact O-N 3.49Å; E610-G612 VanDerWaalsContact O-N 3.1Å; G612-M614 CarbonylContact O-C 3.55Å; G612-M614 PolarHBondContact O-N 2.92Å; G612-D615 PolarHBondContact O-N 2.95Å; G612-L616 PolarHBondContact O-N 3.38Å | ||
| 613 | A | 53.1 | Low | 56.8 | Low | 72 Ų | 72 | 110.1 Ų | 110.1 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -55 | -24.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V611 A617 | V611-A613 PolarHBondContact O-N 3.26Å; A613-A617 WeakPolarHBondContact O-CB 3.35Å; A613-A617 PolarHBondContact O-N 2.83Å |
| 614 | M | 56.3 | Low | 59.3 | Low | 153 Ų | 153 | 111.4 Ų | 111.4 | 75% | 0.754 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.9 | -48 | 167.9 | -64.2 | -156.2 | 75.6 | 0 | 0 | 113.7 | G612 L616 A617 Q618 | G612-M614 CarbonylContact O-C 3.55Å; G612-M614 PolarHBondContact O-N 2.92Å; M614-L616 PolarHBondContact O-N 3.25Å; M614-A617 PolarHBondContact O-N 3.42Å; M614-Q618 WeakPolarHBondContact O-CA 3.35Å; M614-Q618 WeakPolarHBondContact O-CB 3.28Å; M614-Q618 PolarHBondContact O-N 2.83Å |
| 615 | D | 60.9 | Low | 62.2 | Low | 97 Ų | 97 | 111.4 Ų | 111.4 | 52% | 0.519 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.6 | -38.9 | 177.7 | -65.5 | -27.8 | 0 | 0 | 0 | 111.9 | V611 G612 Q618 L619 | V611-D615 HydrophobicContact CG1-CB 4.34Å; G612-D615 PolarHBondContact O-N 2.95Å; D615-Q618 PolarHBondContact O-N 3.06Å; D615-L619 WeakPolarHBondContact O-CB 3.47Å; D615-L619 WeakPolarHBondContact O-CD1 3.43Å; D615-L619 PolarHBondContact O-N 3.04Å |
| 616 | L | 69 | Low | 64.8 | Low | 90 Ų | 90 | 105.2 Ų | 105.2 | 47% | 0.471 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.3 | -40.7 | 175.8 | -159 | 82.1 | 0 | 0 | 0 | 111.5 | V611 G612 M614 Q618 Q620 | V611-L616 HydrophobicContact CG1-CB 4.46Å; V611-L616 HydrophobicContact CG1-CD1 4.22Å; G612-L616 PolarHBondContact O-N 3.38Å; M614-L616 PolarHBondContact O-N 3.25Å; L616-Q618 VanDerWaalsContact C-N 3.32Å; L616-Q620 VanDerWaalsContact O-CB 3.27Å; L616-Q620 WeakPolarHBondContact O-CB 3.34Å; L616-Q620 VanDerWaalsContact O-CG 3.24Å; L616-Q620 WeakPolarHBondContact O-CG 3.34Å; L616-Q620 PolarHBondContact O-N 2.8Å |
| 617 | A | 72.3 | Confident | 66.8 | Low | 49 Ų | 49 | 103.5 Ų | 103.5 | 41% | 0.405 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.2 | -31.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A613 M614 Q620 K621 | A613-A617 WeakPolarHBondContact O-CB 3.35Å; A613-A617 PolarHBondContact O-N 2.83Å; M614-A617 PolarHBondContact O-N 3.42Å; A617-Q620 PolarHBondContact O-N 3.47Å; A617-K621 VanDerWaalsContact O-CB 3.23Å; A617-K621 WeakPolarHBondContact O-CB 3.45Å; A617-K621 PolarHBondContact O-N 3.05Å |
| 618 | Q | 76.8 | Confident | 69.1 | Low | 107 Ų | 107 | 104.3 Ų | 104.3 | 50% | 0.5 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.4 | -43.4 | 177.4 | -173.6 | 160.5 | -24.3 | 0 | 0 | 110.8 | M614 D615 L616 Q620 K621 E622 | M614-Q618 WeakPolarHBondContact O-CA 3.35Å; M614-Q618 WeakPolarHBondContact O-CB 3.28Å; M614-Q618 PolarHBondContact O-N 2.83Å; D615-Q618 PolarHBondContact O-N 3.06Å; L616-Q618 VanDerWaalsContact C-N 3.32Å; Q618-Q620 VanDerWaalsContact C-N 3.32Å; Q618-Q620 PolarHBondContact O-N 2.82Å; Q618-K621 PolarHBondContact O-N 2.84Å; Q618-E622 WeakPolarHBondContact CG-OE1 3.36Å; Q618-E622 PolarHBondContact NE2-OE1 2.88Å; Q618-E622 WeakPolarHBondContact O-CB 3.48Å; Q618-E622 WeakPolarHBondContact O-CG 3.45Å; Q618-E622 PolarHBondContact O-N 3.23Å |
| 619 | L | 78.9 | Confident | 71.7 | Confident | 115 Ų | 115 | 101.9 Ų | 101.9 | 60% | 0.602 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.6 | -37.7 | 167.4 | -102.8 | 83.1 | 0 | 0 | 0 | 112.4 | D615 K623 | D615-L619 WeakPolarHBondContact O-CB 3.47Å; D615-L619 WeakPolarHBondContact O-CD1 3.43Å; D615-L619 PolarHBondContact O-N 3.04Å; L619-K623 WeakPolarHBondContact O-CB 3.3Å; L619-K623 PolarHBondContact O-N 3.37Å |
| 620 | Q | 78.3 | Confident | 73.6 | Confident | 118 Ų | 118 | 102.8 Ų | 102.8 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -37.5 | 175.3 | -81.7 | 178 | -25.4 | 0 | 0 | 112 | L616 A617 Q618 Q624 | L616-Q620 VanDerWaalsContact O-CB 3.27Å; L616-Q620 WeakPolarHBondContact O-CB 3.34Å; L616-Q620 VanDerWaalsContact O-CG 3.24Å; L616-Q620 WeakPolarHBondContact O-CG 3.34Å; L616-Q620 PolarHBondContact O-N 2.8Å; A617-Q620 PolarHBondContact O-N 3.47Å; Q618-Q620 VanDerWaalsContact C-N 3.32Å; Q618-Q620 PolarHBondContact O-N 2.82Å; Q620-Q624 WeakPolarHBondContact O-CB 3.47Å; Q620-Q624 WeakPolarHBondContact O-CG 3.24Å; Q620-Q624 PolarHBondContact O-N 3Å |
| 621 | K | 87.1 | Confident | 76.1 | Confident | 127 Ų | 127 | 101.5 Ų | 101.5 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.3 | -47.4 | 175.8 | -174.2 | -178.4 | 176.1 | -171.7 | 0 | 111.5 | A617 Q618 K623 Q624 D625 | A617-K621 VanDerWaalsContact O-CB 3.23Å; A617-K621 WeakPolarHBondContact O-CB 3.45Å; A617-K621 PolarHBondContact O-N 3.05Å; Q618-K621 PolarHBondContact O-N 2.84Å; K621-K623 VanDerWaalsContact C-N 3.27Å; K621-K623 PolarHBondContact O-N 3.35Å; K621-Q624 CarbonylContact O-C 3.56Å; K621-Q624 PolarHBondContact O-N 3.26Å; K621-Q624 VanDerWaalsContact O-N 3.08Å; K621-D625 WeakPolarHBondContact O-CB 3.38Å; K621-D625 PolarHBondContact O-N 3.22Å |
| 622 | E | 85.5 | Confident | 78.3 | Confident | 95 Ų | 95 | 101.9 Ų | 101.9 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 174 | -73.4 | 172.4 | -164 | 0 | 0 | 111.1 | Q618 D625 L626 | Q618-E622 WeakPolarHBondContact CG-OE1 3.36Å; Q618-E622 PolarHBondContact NE2-OE1 2.88Å; Q618-E622 WeakPolarHBondContact O-CB 3.48Å; Q618-E622 WeakPolarHBondContact O-CG 3.45Å; Q618-E622 PolarHBondContact O-N 3.23Å; E622-D625 PolarHBondContact O-N 3.08Å; E622-L626 VanDerWaalsContact O-CB 3.28Å; E622-L626 WeakPolarHBondContact O-CB 3.48Å; E622-L626 WeakPolarHBondContact O-CG 3.13Å; E622-L626 PolarHBondContact O-N 3.42Å |
| 623 | K | 83.6 | Confident | 80.4 | Confident | 124 Ų | 124 | 107.3 Ų | 107.3 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 170.9 | 179.6 | -177.8 | 167.6 | -175.9 | 0 | 111.8 | L619 K621 L626 E627 | L619-K623 WeakPolarHBondContact O-CB 3.3Å; L619-K623 PolarHBondContact O-N 3.37Å; K621-K623 VanDerWaalsContact C-N 3.27Å; K621-K623 PolarHBondContact O-N 3.35Å; K623-L626 PolarHBondContact O-N 2.95Å; K623-E627 WeakPolarHBondContact CE-OE1 3.34Å; K623-E627 HydrophobicContact CG-CG 4.42Å; K623-E627 IonicContact NZ-OE1 3.71Å; K623-E627 WeakPolarHBondContact O-CB 3.41Å; K623-E627 VanDerWaalsContact O-CG 3.31Å; K623-E627 WeakPolarHBondContact O-CG 3.49Å; K623-E627 PolarHBondContact O-N 3.48Å |
| 624 | Q | 89.1 | Confident | 82.2 | Confident | 127 Ų | 127 | 107.7 Ų | 107.7 | 59% | 0.593 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -43.4 | 175.9 | -81.7 | -176.1 | -22.2 | 0 | 0 | 112 | Q620 K621 L626 E627 Q628 | Q620-Q624 WeakPolarHBondContact O-CB 3.47Å; Q620-Q624 WeakPolarHBondContact O-CG 3.24Å; Q620-Q624 PolarHBondContact O-N 3Å; K621-Q624 CarbonylContact O-C 3.56Å; K621-Q624 PolarHBondContact O-N 3.26Å; K621-Q624 VanDerWaalsContact O-N 3.08Å; Q624-L626 VanDerWaalsContact C-N 3.34Å; Q624-L626 PolarHBondContact O-N 2.88Å; Q624-E627 PolarHBondContact O-N 2.98Å; Q624-Q628 VanDerWaalsContact O-CB 3.23Å; Q624-Q628 WeakPolarHBondContact O-CB 3.22Å; Q624-Q628 PolarHBondContact O-N 3.38Å |
| 625 | D | 89.3 | Confident | 83.8 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 43% | 0.428 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 177.7 | -72.2 | -23.6 | 0 | 0 | 0 | 111.1 | K621 E622 Q629 | K621-D625 WeakPolarHBondContact O-CB 3.38Å; K621-D625 PolarHBondContact O-N 3.22Å; E622-D625 PolarHBondContact O-N 3.08Å; D625-Q629 WeakPolarHBondContact O-CB 3.33Å; D625-Q629 WeakPolarHBondContact O-CG 3.38Å; D625-Q629 PolarHBondContact O-N 2.87Å |
| 626 | L | 87.8 | Confident | 85.2 | Confident | 104 Ų | 104 | 105.8 Ų | 105.8 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72 | -39.1 | 173.3 | -73.5 | 171.6 | 0 | 0 | 0 | 113 | E622 K623 Q624 Q628 Q629 L630 | E622-L626 VanDerWaalsContact O-CB 3.28Å; E622-L626 WeakPolarHBondContact O-CB 3.48Å; E622-L626 WeakPolarHBondContact O-CG 3.13Å; E622-L626 PolarHBondContact O-N 3.42Å; K623-L626 PolarHBondContact O-N 2.95Å; Q624-L626 VanDerWaalsContact C-N 3.34Å; Q624-L626 PolarHBondContact O-N 2.88Å; L626-Q628 VanDerWaalsContact C-N 3.31Å; L626-Q629 PolarHBondContact O-N 2.95Å; L626-L630 WeakPolarHBondContact O-CB 3.36Å; L626-L630 PolarHBondContact O-N 3.32Å |
| 627 | E | 87.4 | Confident | 86.2 | Confident | 94 Ų | 94 | 105.4 Ų | 105.4 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 171.7 | -78.1 | 176.7 | 170.1 | 0 | 0 | 110.6 | K623 Q624 L630 L631 | K623-E627 WeakPolarHBondContact CE-OE1 3.34Å; K623-E627 HydrophobicContact CG-CG 4.42Å; K623-E627 IonicContact NZ-OE1 3.71Å; K623-E627 WeakPolarHBondContact O-CB 3.41Å; K623-E627 VanDerWaalsContact O-CG 3.31Å; K623-E627 WeakPolarHBondContact O-CG 3.49Å; K623-E627 PolarHBondContact O-N 3.48Å; Q624-E627 PolarHBondContact O-N 2.98Å; E627-L630 PolarHBondContact O-N 3.23Å; E627-L631 WeakPolarHBondContact O-CG 3.27Å; E627-L631 PolarHBondContact O-N 2.96Å |
| 628 | Q | 88.6 | Confident | 87 | Confident | 111 Ų | 111 | 110 Ų | 110 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.2 | -42.2 | 176.6 | -170 | 160.6 | -15.4 | 0 | 0 | 111.8 | Q624 L626 L630 L631 E632 | Q624-Q628 VanDerWaalsContact O-CB 3.23Å; Q624-Q628 WeakPolarHBondContact O-CB 3.22Å; Q624-Q628 PolarHBondContact O-N 3.38Å; L626-Q628 VanDerWaalsContact C-N 3.31Å; Q628-L630 VanDerWaalsContact C-N 3.31Å; Q628-L630 PolarHBondContact O-N 3.43Å; Q628-L631 PolarHBondContact O-N 3.11Å; Q628-E632 WeakPolarHBondContact O-CG 3.32Å; Q628-E632 PolarHBondContact O-N 2.8Å |
| 629 | Q | 89.8 | Confident | 87.5 | Confident | 106 Ų | 106 | 110.4 Ų | 110.4 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 169.1 | -81 | -166.8 | 20.7 | 0 | 0 | 112.4 | D625 L626 E632 K633 | D625-Q629 WeakPolarHBondContact O-CB 3.33Å; D625-Q629 WeakPolarHBondContact O-CG 3.38Å; D625-Q629 PolarHBondContact O-N 2.87Å; L626-Q629 PolarHBondContact O-N 2.95Å; Q629-E632 PolarHBondContact O-N 3.3Å; Q629-K633 WeakPolarHBondContact O-CB 3.23Å; Q629-K633 WeakPolarHBondContact O-CG 3.42Å; Q629-K633 PolarHBondContact O-N 3.26Å |
| 630 | L | 88.1 | Confident | 87.7 | Confident | 108 Ų | 108 | 110.8 Ų | 110.8 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66 | -39.4 | 175 | -90.3 | 165.8 | 0 | 0 | 0 | 111.8 | L626 E627 Q628 N634 | L626-L630 WeakPolarHBondContact O-CB 3.36Å; L626-L630 PolarHBondContact O-N 3.32Å; E627-L630 PolarHBondContact O-N 3.23Å; Q628-L630 VanDerWaalsContact C-N 3.31Å; Q628-L630 PolarHBondContact O-N 3.43Å; L630-N634 VanDerWaalsContact O-CB 3.26Å; L630-N634 WeakPolarHBondContact O-CB 3.33Å; L630-N634 PolarHBondContact O-N 2.86Å; L630-N634 PolarHBondContact O-ND2 3.42Å |
| 631 | L | 88.8 | Confident | 88 | Confident | 126 Ų | 126 | 111.1 Ų | 111.1 | 66% | 0.66 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 174.1 | -74.3 | 168.9 | 0 | 0 | 0 | 111.7 | E627 Q628 N634 K635 | E627-L631 WeakPolarHBondContact O-CG 3.27Å; E627-L631 PolarHBondContact O-N 2.96Å; Q628-L631 PolarHBondContact O-N 3.11Å; L631-N634 PolarHBondContact O-N 2.84Å; L631-K635 WeakPolarHBondContact O-CB 3.38Å; L631-K635 PolarHBondContact O-N 3.36Å |
| 632 | E | 89.1 | Confident | 88.1 | Confident | 113 Ų | 113 | 109.9 Ų | 109.9 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 175.5 | -74.1 | -178.7 | -178.4 | 0 | 0 | 112 | Q628 Q629 N634 K635 T636 | Q628-E632 WeakPolarHBondContact O-CG 3.32Å; Q628-E632 PolarHBondContact O-N 2.8Å; Q629-E632 PolarHBondContact O-N 3.3Å; E632-N634 VanDerWaalsContact C-N 3.33Å; E632-N634 PolarHBondContact O-N 2.83Å; E632-K635 WeakPolarHBondContact O-CA 3.46Å; E632-K635 WeakPolarHBondContact O-CB 2.82Å; E632-K635 PolarHBondContact O-N 2.87Å; E632-K635 VanDerWaalsContact O-N 3.09Å; E632-T636 PolarHBondContact O-N 2.83Å; E632-T636 PolarHBondContact O-OG1 3.37Å; E632-T636 VanDerWaalsContact O-OG1 3.14Å |
| 633 | K | 88.5 | Confident | 88.1 | Confident | 137 Ų | 137 | 114.1 Ų | 114.1 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.1 | -36.9 | 174.9 | -72 | -166.5 | -178.4 | -179.7 | 0 | 112 | Q629 K635 T636 I637 | Q629-K633 WeakPolarHBondContact O-CB 3.23Å; Q629-K633 WeakPolarHBondContact O-CG 3.42Å; Q629-K633 PolarHBondContact O-N 3.26Å; K633-K635 VanDerWaalsContact C-N 3.34Å; K633-K635 PolarHBondContact O-N 2.69Å; K633-T636 PolarHBondContact O-N 2.84Å; K633-I637 WeakPolarHBondContact O-CB 3.31Å; K633-I637 VanDerWaalsContact O-CG1 3.25Å; K633-I637 WeakPolarHBondContact O-CG1 3.44Å; K633-I637 PolarHBondContact O-N 3.05Å |
| 634 | N | 90.2 | Very high | 88.1 | Confident | 80 Ų | 80 | 113.2 Ų | 113.2 | 43% | 0.428 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -35.9 | 171.1 | -87.1 | -69.8 | 0 | 0 | 0 | 112.6 | L630 L631 E632 I637 K638 | L630-N634 VanDerWaalsContact O-CB 3.26Å; L630-N634 WeakPolarHBondContact O-CB 3.33Å; L630-N634 PolarHBondContact O-N 2.86Å; L630-N634 PolarHBondContact O-ND2 3.42Å; L631-N634 PolarHBondContact O-N 2.84Å; E632-N634 VanDerWaalsContact C-N 3.33Å; E632-N634 PolarHBondContact O-N 2.83Å; N634-I637 PolarHBondContact O-N 2.82Å; N634-K638 WeakPolarHBondContact O-CB 3.41Å; N634-K638 WeakPolarHBondContact O-CG 3.24Å; N634-K638 PolarHBondContact O-N 3.3Å |
| 635 | K | 91.4 | Very high | 88 | Confident | 136 Ų | 136 | 110.9 Ų | 110.9 | 59% | 0.591 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 173.4 | -171.2 | -179.5 | 179.5 | -176.8 | 0 | 111.1 | L631 E632 K633 K638 Q639 | L631-K635 WeakPolarHBondContact O-CB 3.38Å; L631-K635 PolarHBondContact O-N 3.36Å; E632-K635 WeakPolarHBondContact O-CA 3.46Å; E632-K635 WeakPolarHBondContact O-CB 2.82Å; E632-K635 PolarHBondContact O-N 2.87Å; E632-K635 VanDerWaalsContact O-N 3.09Å; K633-K635 VanDerWaalsContact C-N 3.34Å; K633-K635 PolarHBondContact O-N 2.69Å; K635-K638 PolarHBondContact O-N 2.98Å; K635-Q639 WeakPolarHBondContact O-CG 3.4Å; K635-Q639 PolarHBondContact O-N 3.31Å |
| 636 | T | 90.3 | Very high | 87.9 | Confident | 74 Ų | 74 | 111.4 Ų | 111.4 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 112 | E632 K633 Q639 M640 | E632-T636 PolarHBondContact O-N 2.83Å; E632-T636 PolarHBondContact O-OG1 3.37Å; E632-T636 VanDerWaalsContact O-OG1 3.14Å; K633-T636 PolarHBondContact O-N 2.84Å; T636-Q639 PolarHBondContact O-N 3.05Å; T636-M640 PolarHBondContact O-N 2.77Å |
| 637 | I | 88.3 | Confident | 87.8 | Confident | 82 Ų | 82 | 111.3 Ų | 111.3 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 173.6 | -71.5 | 164.2 | 0 | 0 | 0 | 110.5 | K633 N634 Q639 M640 Q641 | K633-I637 WeakPolarHBondContact O-CB 3.31Å; K633-I637 VanDerWaalsContact O-CG1 3.25Å; K633-I637 WeakPolarHBondContact O-CG1 3.44Å; K633-I637 PolarHBondContact O-N 3.05Å; N634-I637 PolarHBondContact O-N 2.82Å; I637-Q639 VanDerWaalsContact C-N 3.33Å; I637-Q639 PolarHBondContact O-N 2.94Å; I637-M640 PolarHBondContact O-N 3.25Å; I637-Q641 HydrophobicContact CG2-CG 4.31Å; I637-Q641 WeakPolarHBondContact O-CB 3.45Å; I637-Q641 VanDerWaalsContact O-CG 3.29Å; I637-Q641 WeakPolarHBondContact O-CG 3.35Å; I637-Q641 PolarHBondContact O-N 3.11Å |
| 638 | K | 89.6 | Confident | 87.4 | Confident | 146 Ų | 146 | 115 Ų | 115 | 64% | 0.635 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 174.4 | -76.2 | 177.5 | 179.1 | -179.4 | 0 | 112.1 | N634 K635 Q641 Q642 | N634-K638 WeakPolarHBondContact O-CB 3.41Å; N634-K638 WeakPolarHBondContact O-CG 3.24Å; N634-K638 PolarHBondContact O-N 3.3Å; K635-K638 PolarHBondContact O-N 2.98Å; K638-Q641 PolarHBondContact O-N 3.37Å; K638-Q642 VanDerWaalsContact O-CB 3.27Å; K638-Q642 WeakPolarHBondContact O-CB 3.5Å; K638-Q642 PolarHBondContact O-N 3.45Å |
| 639 | Q | 87.9 | Confident | 87.2 | Confident | 116 Ų | 116 | 115.5 Ų | 115.5 | 54% | 0.542 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 174.6 | -74.6 | 179 | -16.2 | 0 | 0 | 112.8 | K635 T636 I637 Q642 R643 | K635-Q639 WeakPolarHBondContact O-CG 3.4Å; K635-Q639 PolarHBondContact O-N 3.31Å; T636-Q639 PolarHBondContact O-N 3.05Å; I637-Q639 VanDerWaalsContact C-N 3.33Å; I637-Q639 PolarHBondContact O-N 2.94Å; Q639-Q642 PolarHBondContact O-N 2.83Å; Q639-R643 WeakPolarHBondContact O-CB 3.26Å; Q639-R643 PolarHBondContact O-N 3.33Å |
| 640 | M | 82.1 | Confident | 86.8 | Confident | 123 Ų | 123 | 113.8 Ų | 113.8 | 61% | 0.606 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.3 | -39.1 | 172.6 | -77.2 | -176.4 | 68.5 | 0 | 0 | 112.1 | T636 I637 R643 M644 | T636-M640 PolarHBondContact O-N 2.77Å; I637-M640 PolarHBondContact O-N 3.25Å; M640-R643 PolarHBondContact O-N 3.15Å; M640-M644 VanDerWaalsContact O-CB 3.3Å; M640-M644 WeakPolarHBondContact O-CB 3.35Å; M640-M644 VanDerWaalsContact O-CG 3.25Å; M640-M644 WeakPolarHBondContact O-CG 3.5Å; M640-M644 PolarHBondContact O-N 3.5Å |
| 641 | Q | 86.3 | Confident | 86 | Confident | 124 Ų | 124 | 113 Ų | 113 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | 174.2 | -74.5 | 173.8 | -11.4 | 0 | 0 | 111.6 | I637 K638 M644 L645 | I637-Q641 HydrophobicContact CG2-CG 4.31Å; I637-Q641 WeakPolarHBondContact O-CB 3.45Å; I637-Q641 VanDerWaalsContact O-CG 3.29Å; I637-Q641 WeakPolarHBondContact O-CG 3.35Å; I637-Q641 PolarHBondContact O-N 3.11Å; K638-Q641 PolarHBondContact O-N 3.37Å; Q641-M644 PolarHBondContact O-N 3.43Å; Q641-L645 WeakPolarHBondContact O-CB 3.36Å; Q641-L645 PolarHBondContact O-N 3.01Å |
| 642 | Q | 88.1 | Confident | 85.3 | Confident | 102 Ų | 102 | 114 Ų | 114 | 48% | 0.477 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -49.4 | 172.5 | -175.5 | 69.2 | 26.9 | 0 | 0 | 110.9 | K638 Q639 M644 L645 E646 | K638-Q642 VanDerWaalsContact O-CB 3.27Å; K638-Q642 WeakPolarHBondContact O-CB 3.5Å; K638-Q642 PolarHBondContact O-N 3.45Å; Q639-Q642 PolarHBondContact O-N 2.83Å; Q642-M644 VanDerWaalsContact C-N 3.33Å; Q642-M644 PolarHBondContact O-N 2.93Å; Q642-L645 WeakPolarHBondContact O-CB 3.39Å; Q642-L645 PolarHBondContact O-N 2.68Å; Q642-L645 VanDerWaalsContact O-N 3.13Å; Q642-E646 WeakPolarHBondContact CG-OE1 3.41Å; Q642-E646 PolarHBondContact NE2-OE1 3.42Å; Q642-E646 WeakPolarHBondContact O-CG 3.31Å; Q642-E646 PolarHBondContact O-N 3.38Å |
| 643 | R | 85.5 | Confident | 84.5 | Confident | 184 Ų | 184 | 116.5 Ų | 116.5 | 69% | 0.694 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.9 | -39.3 | 173.6 | -85.9 | -176.4 | 170.4 | 170.4 | -2.5 | 112.9 | Q639 M640 E646 L647 | Q639-R643 WeakPolarHBondContact O-CB 3.26Å; Q639-R643 PolarHBondContact O-N 3.33Å; M640-R643 PolarHBondContact O-N 3.15Å; R643-E646 PolarHBondContact O-N 3.5Å; R643-L647 VanDerWaalsContact O-CB 3.27Å; R643-L647 WeakPolarHBondContact O-CB 3.42Å; R643-L647 WeakPolarHBondContact O-CG 3.32Å; R643-L647 PolarHBondContact O-N 3.38Å |
| 644 | M | 83.5 | Confident | 83.3 | Confident | 104 Ų | 104 | 117.1 Ų | 117.1 | 51% | 0.512 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 174.4 | -81.1 | -78.8 | -72.4 | 0 | 0 | 112.1 | M640 Q641 Q642 R648 | M640-M644 VanDerWaalsContact O-CB 3.3Å; M640-M644 WeakPolarHBondContact O-CB 3.35Å; M640-M644 VanDerWaalsContact O-CG 3.25Å; M640-M644 WeakPolarHBondContact O-CG 3.5Å; M640-M644 PolarHBondContact O-N 3.5Å; Q641-M644 PolarHBondContact O-N 3.43Å; Q642-M644 VanDerWaalsContact C-N 3.33Å; Q642-M644 PolarHBondContact O-N 2.93Å; M644-R648 VanDerWaalsContact O-CB 3.3Å; M644-R648 WeakPolarHBondContact O-CB 3.41Å; M644-R648 VanDerWaalsContact O-CG 3.25Å; M644-R648 WeakPolarHBondContact O-CG 3.3Å; M644-R648 PolarHBondContact O-N 3.02Å |
| 645 | L | 88.3 | Confident | 81.5 | Confident | 79 Ų | 79 | 118.2 Ų | 118.2 | 41% | 0.414 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.3 | -39.1 | 175.4 | -168.9 | 107 | 0 | 0 | 0 | 111.4 | Q641 Q642 R648 K649 | Q641-L645 WeakPolarHBondContact O-CB 3.36Å; Q641-L645 PolarHBondContact O-N 3.01Å; Q642-L645 WeakPolarHBondContact O-CB 3.39Å; Q642-L645 PolarHBondContact O-N 2.68Å; Q642-L645 VanDerWaalsContact O-N 3.13Å; L645-R648 PolarHBondContact O-N 2.98Å; L645-K649 HydrophobicContact CD2-CD 4.41Å; L645-K649 WeakPolarHBondContact O-CB 3.24Å; L645-K649 WeakPolarHBondContact O-CG 3.35Å; L645-K649 PolarHBondContact O-N 3.15Å |
| 646 | E | 87.1 | Confident | 79.6 | Confident | 90 Ų | 90 | 120.9 Ų | 120.9 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.1 | -48 | 174.2 | -74.5 | 162.8 | -169 | 0 | 0 | 111.1 | Q642 R643 R648 K649 T650 | Q642-E646 WeakPolarHBondContact CG-OE1 3.41Å; Q642-E646 PolarHBondContact NE2-OE1 3.42Å; Q642-E646 WeakPolarHBondContact O-CG 3.31Å; Q642-E646 PolarHBondContact O-N 3.38Å; R643-E646 PolarHBondContact O-N 3.5Å; E646-R648 VanDerWaalsContact C-N 3.32Å; E646-R648 PolarHBondContact O-N 3.08Å; E646-K649 CarbonylContact O-C 3.56Å; E646-K649 WeakPolarHBondContact O-CA 3.45Å; E646-K649 WeakPolarHBondContact O-CB 3.41Å; E646-K649 PolarHBondContact O-N 3.18Å; E646-T650 PolarHBondContact O-N 3.27Å; E646-T650 PolarHBondContact O-OG1 2.79Å; E646-T650 VanDerWaalsContact O-OG1 3.09Å |
| 647 | L | 84.7 | Confident | 77.5 | Confident | 103 Ų | 103 | 123.9 Ų | 123.9 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -56.2 | -43.3 | 171.2 | -86.8 | 160.2 | 0 | 0 | 0 | 112 | R643 T650 L651 | R643-L647 VanDerWaalsContact O-CB 3.27Å; R643-L647 WeakPolarHBondContact O-CB 3.42Å; R643-L647 WeakPolarHBondContact O-CG 3.32Å; R643-L647 PolarHBondContact O-N 3.38Å; L647-T650 PolarHBondContact O-N 2.94Å; L647-L651 VanDerWaalsContact O-CB 3.29Å; L647-L651 WeakPolarHBondContact O-CB 3.47Å; L647-L651 PolarHBondContact O-N 3.36Å |
| 648 | R | 79.4 | Confident | 74.9 | Confident | 171 Ų | 171 | 130 Ų | 130 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.6 | -40 | 173.3 | -80.7 | 176.2 | 177.5 | -179.6 | -0.6 | 112.4 | M644 L645 E646 Q652 | M644-R648 VanDerWaalsContact O-CB 3.3Å; M644-R648 WeakPolarHBondContact O-CB 3.41Å; M644-R648 VanDerWaalsContact O-CG 3.25Å; M644-R648 WeakPolarHBondContact O-CG 3.3Å; M644-R648 PolarHBondContact O-N 3.02Å; L645-R648 PolarHBondContact O-N 2.98Å; E646-R648 VanDerWaalsContact C-N 3.32Å; E646-R648 PolarHBondContact O-N 3.08Å; R648-Q652 WeakPolarHBondContact O-CB 3.17Å; R648-Q652 PolarHBondContact O-N 2.96Å |
| 649 | K | 85 | Confident | 72.6 | Confident | 121 Ų | 121 | 129 Ų | 129 | 53% | 0.526 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69 | -33.8 | 175.7 | -77.7 | 175.2 | 177.7 | 179.4 | 0 | 112.7 | L645 E646 K653 | L645-K649 HydrophobicContact CD2-CD 4.41Å; L645-K649 WeakPolarHBondContact O-CB 3.24Å; L645-K649 WeakPolarHBondContact O-CG 3.35Å; L645-K649 PolarHBondContact O-N 3.15Å; E646-K649 CarbonylContact O-C 3.56Å; E646-K649 WeakPolarHBondContact O-CA 3.45Å; E646-K649 WeakPolarHBondContact O-CB 3.41Å; E646-K649 PolarHBondContact O-N 3.18Å; K649-K653 WeakPolarHBondContact O-CB 3.36Å; K649-K653 VanDerWaalsContact O-CG 3.27Å; K649-K653 WeakPolarHBondContact O-CG 3.38Å; K649-K653 PolarHBondContact O-N 3.23Å; K649-K653 VanDerWaalsContact O-N 3.1Å |
| 650 | T | 80.2 | Confident | 69.8 | Low | 71 Ų | 71 | 130.8 Ų | 130.8 | 44% | 0.436 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.2 | -50.8 | 174.2 | -55.1 | 0 | 0 | 0 | 0 | 110.1 | E646 L647 Q652 K653 E654 | E646-T650 PolarHBondContact O-N 3.27Å; E646-T650 PolarHBondContact O-OG1 2.79Å; E646-T650 VanDerWaalsContact O-OG1 3.09Å; L647-T650 PolarHBondContact O-N 2.94Å; T650-Q652 VanDerWaalsContact C-N 3.29Å; T650-Q652 PolarHBondContact O-N 2.75Å; T650-K653 CarbonylContact O-C 3.57Å; T650-K653 WeakPolarHBondContact O-CA 3.49Å; T650-K653 WeakPolarHBondContact O-CB 3.46Å; T650-K653 PolarHBondContact O-N 3.47Å; T650-E654 PolarHBondContact O-N 2.98Å |
| 651 | L | 72 | Confident | 67.5 | Low | 90 Ų | 90 | 131.7 Ų | 131.7 | 47% | 0.471 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -56.2 | -39.7 | 172.6 | -86 | 160.4 | 0 | 0 | 0 | 112.3 | L647 K653 E654 L655 | L647-L651 VanDerWaalsContact O-CB 3.29Å; L647-L651 WeakPolarHBondContact O-CB 3.47Å; L647-L651 PolarHBondContact O-N 3.36Å; L651-K653 VanDerWaalsContact C-N 3.3Å; L651-K653 PolarHBondContact O-N 3.48Å; L651-E654 PolarHBondContact O-N 3.47Å; L651-L655 HydrophobicContact CD2-CD1 4.35Å; L651-L655 WeakPolarHBondContact O-CA 3.04Å; L651-L655 WeakPolarHBondContact O-CB 3.43Å; L651-L655 VanDerWaalsContact O-CG 3.25Å; L651-L655 WeakPolarHBondContact O-CG 3.28Å; L651-L655 PolarHBondContact O-N 3.44Å |
| 652 | Q | 74.1 | Confident | 65 | Low | 148 Ų | 148 | 135.1 Ų | 135.1 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.1 | -19 | 177 | -170.2 | 174.1 | 19.5 | 0 | 0 | 113.3 | R648 T650 | R648-Q652 WeakPolarHBondContact O-CB 3.17Å; R648-Q652 PolarHBondContact O-N 2.96Å; T650-Q652 VanDerWaalsContact C-N 3.29Å; T650-Q652 PolarHBondContact O-N 2.75Å |
| 653 | K | 71.6 | Confident | 62.3 | Low | 165 Ų | 165 | 138 Ų | 138 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -84.4 | -32.6 | 171 | -80.3 | 176.7 | 174.9 | -172.7 | 0 | 112.5 | K649 T650 L651 | K649-K653 WeakPolarHBondContact O-CB 3.36Å; K649-K653 VanDerWaalsContact O-CG 3.27Å; K649-K653 WeakPolarHBondContact O-CG 3.38Å; K649-K653 PolarHBondContact O-N 3.23Å; K649-K653 VanDerWaalsContact O-N 3.1Å; T650-K653 CarbonylContact O-C 3.57Å; T650-K653 WeakPolarHBondContact O-CA 3.49Å; T650-K653 WeakPolarHBondContact O-CB 3.46Å; T650-K653 PolarHBondContact O-N 3.47Å; L651-K653 VanDerWaalsContact C-N 3.3Å; L651-K653 PolarHBondContact O-N 3.48Å |
| 654 | E | 64.3 | Low | 59.7 | Low | 150 Ų | 150 | 138.3 Ų | 138.3 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -80.7 | -41.9 | 176.1 | -70.4 | -178.9 | 176.5 | 0 | 0 | 111.9 | T650 L651 K656 | T650-E654 PolarHBondContact O-N 2.98Å; L651-E654 PolarHBondContact O-N 3.47Å; E654-K656 PolarHBondContact O-N 2.86Å |
| 655 | L | 52.3 | Low | 57.3 | Low | 104 Ų | 104 | 143 Ų | 143 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | trans | -75 | 60.7 | 167.6 | -63 | 168.5 | 0 | 0 | 0 | 110.3 | L651 I657 | L651-L655 HydrophobicContact CD2-CD1 4.35Å; L651-L655 WeakPolarHBondContact O-CA 3.04Å; L651-L655 WeakPolarHBondContact O-CB 3.43Å; L651-L655 VanDerWaalsContact O-CG 3.25Å; L651-L655 WeakPolarHBondContact O-CG 3.28Å; L651-L655 PolarHBondContact O-N 3.44Å; L655-I657 HydrophobicContact CD2-CD1 4.27Å; L655-I657 PolarHBondContact O-N 2.81Å | ||
| 656 | K | 50.5 | Low | 54.7 | Low | 192 Ų | 192 | 145.5 Ų | 145.5 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | trans | -73.1 | 47.2 | 172.2 | -124.8 | 174.3 | -179.1 | -176.6 | 0 | 111.4 | E654 R658 | E654-K656 PolarHBondContact O-N 2.86Å; K656-R658 PolarHBondContact O-N 3.47Å | ||
| 657 | I | 47.2 | Very low | 52 | Low | 137 Ų | 137 | 151.7 Ų | 151.7 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | trans | -80.3 | 111.5 | 169.8 | -62.5 | 173.4 | 0 | 0 | 0 | 105.9 | L655 | L655-I657 HydrophobicContact CD2-CD1 4.27Å; L655-I657 PolarHBondContact O-N 2.81Å | ||
| 658 | R | 34.2 | Very low | 49.6 | Very low | 209 Ų | 209 | 154.2 Ų | 154.2 | 79% | 0.789 | 73% | 0.732 | S | S | * | * | trans | -58.8 | 140.3 | 165.7 | -71.3 | 179.1 | 175.5 | 160.4 | -0.4 | 108.2 | K656 D660 | K656-R658 PolarHBondContact O-N 3.47Å; R658-D660 PolarHBondContact O-N 3.37Å | ||
| 659 | P | 41.5 | Very low | 47.6 | Very low | 126 Ų | 126 | 155.7 Ų | 155.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -72.7 | 84 | 168 | 31.5 | -32.5 | 0 | 0 | 0 | 108.7 | N661 | P659-N661 PolarHBondContact O-N 2.78Š| ||
| 660 | D | 28.3 | Very low | 45.4 | Very low | 154 Ų | 154 | 156 Ų | 156 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -71.3 | 96.7 | 166.9 | -91.2 | -3.5 | 0 | 0 | 0 | 108.3 | R658 | R658-D660 PolarHBondContact O-N 3.37Š| ||
| 661 | N | 33.6 | Very low | 42.8 | Very low | 141 Ų | 141 | 156 Ų | 156 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -136.5 | 80.7 | 170.5 | -167.5 | 72.4 | 0 | 0 | 0 | 108.2 | P659 | P659-N661 PolarHBondContact O-N 2.78Š| ||
| 662 | E | 33 | Very low | 41.8 | Very low | 196 Ų | 196 | 157.1 Ų | 157.1 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -166.9 | 102.5 | 155.4 | -108.3 | 157.8 | -136.4 | 0 | 0 | 110.5 | ||||
| 663 | L | 32.2 | Very low | 39.7 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -80.8 | 128.2 | 167.7 | -86.3 | 162.8 | 0 | 0 | 0 | 109.4 | ||||
| 664 | F | 31.6 | Very low | 37.7 | Very low | 191 Ų | 191 | 156.6 Ų | 156.6 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | 25.4 | 102.3 | 150.8 | -86.2 | -97.5 | 0 | 0 | 0 | 117.9 | ||||
| 665 | E | 33.2 | Very low | 36 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | trans | -107.4 | 139.5 | 140.6 | -82.8 | -157.5 | 153.8 | 0 | 0 | 111 | ||||
| 666 | V | 33.1 | Very low | 34.9 | Very low | 132 Ų | 132 | 156.6 Ų | 156.6 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -89.4 | 118.2 | -177.8 | 170.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 667 | R | 31.1 | Very low | 34 | Very low | 221 Ų | 221 | 156.2 Ų | 156.2 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -156.6 | 154.7 | 141.7 | -148.6 | 145 | -173.9 | -178.9 | -1.4 | 117 | ||||
| 668 | E | 32.8 | Very low | 33.2 | Very low | 156 Ų | 156 | 153.8 Ų | 153.8 | 73% | 0.729 | 81% | 0.813 | S | S | * | * | trans | -59.3 | 156.2 | -172.9 | -56.9 | 153.3 | 115 | 0 | 0 | 117 | ||||
| 669 | K | 38.1 | Very low | 33.6 | Very low | 202 Ų | 202 | 149.7 Ų | 149.7 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -65.8 | 158 | 157.7 | -83.3 | -177 | 177 | -178.7 | 0 | 110.8 | ||||
| 670 | P | 39.6 | Very low | 33.1 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | cis | -140.9 | -177.2 | 44.6 | 35 | -11.9 | 0 | 0 | 0 | 117.2 | ||||
| 671 | G | 24.8 | Very low | 33.2 | Very low | 70 Ų | 70 | 147.3 Ų | 147.3 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -83.1 | -154 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 672 | P | 51.5 | Low | 33.4 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -138.1 | -160.6 | 16.2 | 42.9 | -22.6 | 0 | 0 | 0 | 116.2 | ||||
| 673 | D | 28.7 | Very low | 33.6 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | 85.4 | 105 | 157 | -66.7 | -25.3 | 0 | 0 | 0 | 124.2 | ||||
| 674 | M | 29.4 | Very low | 34.1 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | trans | 28.6 | 128.4 | 131.2 | -63.5 | -170 | -76.2 | 0 | 0 | 122.2 | ||||
| 675 | A | 28.5 | Very low | 34.8 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | -169.9 | 146.8 | 101.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 676 | N | 30.5 | Very low | 35.3 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | -46.6 | 150.6 | 177.2 | -61.6 | -39.2 | 0 | 0 | 0 | 116.9 | ||||
| 677 | M | 30.5 | Very low | 36 | Very low | 185 Ų | 185 | 130.4 Ų | 130.4 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | -163.6 | 132.4 | 108.3 | -95.8 | -55.7 | 171.6 | 0 | 0 | 111.3 | |||||
| 678 | A | 31.1 | Very low | 37 | Very low | 86 Ų | 86 | 123.5 Ų | 123.5 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | -124.7 | 150.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 679 | P | 43.1 | Very low | 38 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | -147.6 | 158.2 | 81.1 | 37.5 | -20.2 | 0 | 0 | 0 | 116.6 | |||||
| 680 | S | 31.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 113.6 Ų | 113.6 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | trans | 52.5 | 114.2 | 146.6 | -156.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 681 | V | 28.9 | Very low | 39.5 | Very low | 122 Ų | 122 | 114.5 Ų | 114.5 | 74% | 0.739 | 68% | 0.684 | S | S | * | * | -177.5 | 127.3 | 98.5 | 154.1 | 0 | 0 | 0 | 0 | 109 | |||||
| 682 | T | 38.3 | Very low | 40.9 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 68% | 0.681 | 68% | 0.679 | S | S | * | * | trans | 7.7 | 110.6 | 166.8 | 59.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 683 | N | 37.5 | Very low | 41.1 | Very low | 140 Ų | 140 | 117.3 Ų | 117.3 | 75% | 0.749 | 67% | 0.671 | S | S | * | * | trans | -145.7 | 92.1 | 144.7 | -102.3 | -24.6 | 0 | 0 | 0 | 110 | A685 | N683-A685 PolarHBondContact O-N 3.39Š| ||
| 684 | N | 41.5 | Very low | 42.5 | Very low | 132 Ų | 132 | 114.5 Ų | 114.5 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 27.6 | 176.6 | -69.8 | -48.7 | 0 | 0 | 0 | 112.9 | T688 | N684-T688 PolarHBondContact O-OG1 2.9Š|
| 685 | A | 47 | Very low | 44.1 | Very low | 58 Ų | 58 | 113 Ų | 113 | 48% | 0.479 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.6 | -44.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | N683 L687 T688 D689 | N683-A685 PolarHBondContact O-N 3.39Å; A685-L687 VanDerWaalsContact C-N 3.28Å; A685-L687 PolarHBondContact O-N 2.97Å; A685-T688 WeakPolarHBondContact O-CA 3.48Å; A685-T688 VanDerWaalsContact O-CB 3.27Å; A685-T688 WeakPolarHBondContact O-CB 3.4Å; A685-T688 PolarHBondContact O-N 2.77Å; A685-T688 PolarHBondContact O-OG1 2.86Å; A685-D689 PolarHBondContact O-N 2.85Å |
| 686 | D | 44.5 | Very low | 46 | Very low | 126 Ų | 126 | 115.8 Ų | 115.8 | 67% | 0.674 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.1 | -27.7 | -178.1 | -77 | -20.1 | 0 | 0 | 0 | 113.4 | T688 A690 | D686-T688 PolarHBondContact O-N 2.97Å; D686-A690 VanDerWaalsContact O-CB 3.31Å; D686-A690 WeakPolarHBondContact O-CB 3.44Å; D686-A690 PolarHBondContact O-N 3.46Å; D686-A690 VanDerWaalsContact O-N 3.08Å |
| 687 | L | 48.1 | Very low | 48.2 | Very low | 102 Ų | 102 | 115.1 Ų | 115.1 | 53% | 0.534 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.9 | -7.7 | 172.8 | -69.8 | 177.1 | 0 | 0 | 0 | 113.5 | A685 R691 | A685-L687 VanDerWaalsContact C-N 3.28Å; A685-L687 PolarHBondContact O-N 2.97Å; L687-R691 PolarHBondContact O-NE 2.92Å; L687-R691 PolarHBondContact O-NH2 3.26Å |
| 688 | T | 51.8 | Low | 50.6 | Low | 75 Ų | 75 | 107.3 Ų | 107.3 | 46% | 0.46 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -91.9 | -50.2 | 176 | -46.8 | 0 | 0 | 0 | 0 | 108.8 | N684 A685 D686 A690 R691 E692 | N684-T688 PolarHBondContact O-OG1 2.9Å; A685-T688 WeakPolarHBondContact O-CA 3.48Å; A685-T688 VanDerWaalsContact O-CB 3.27Å; A685-T688 WeakPolarHBondContact O-CB 3.4Å; A685-T688 PolarHBondContact O-N 2.77Å; A685-T688 PolarHBondContact O-OG1 2.86Å; D686-T688 PolarHBondContact O-N 2.97Å; T688-A690 VanDerWaalsContact C-N 3.34Å; T688-A690 PolarHBondContact O-N 3.47Å; T688-R691 CarbonylContact O-C 3.56Å; T688-R691 WeakPolarHBondContact O-CA 3.37Å; T688-R691 WeakPolarHBondContact O-CB 3.36Å; T688-R691 PolarHBondContact O-N 3.43Å; T688-E692 WeakPolarHBondContact O-CB 3.26Å; T688-E692 PolarHBondContact O-N 3Å |
| 689 | D | 53.1 | Low | 52.9 | Low | 99 Ų | 99 | 110.6 Ų | 110.6 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -55.7 | -46.1 | 172.9 | -120 | -21.5 | 0 | 0 | 0 | 111.5 | A685 R691 E692 I693 | A685-D689 PolarHBondContact O-N 2.85Å; D689-R691 PolarHBondContact O-N 3.22Å; D689-E692 PolarHBondContact O-N 3.39Å; D689-I693 WeakPolarHBondContact O-CB 3.39Å; D689-I693 VanDerWaalsContact O-CG1 3.31Å; D689-I693 WeakPolarHBondContact O-CG1 3.48Å; D689-I693 PolarHBondContact O-N 3Å |
| 690 | A | 51.8 | Low | 54.8 | Low | 51 Ų | 51 | 110 Ų | 110 | 42% | 0.421 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.1 | -19.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | D686 T688 N694 | D686-A690 VanDerWaalsContact O-CB 3.31Å; D686-A690 WeakPolarHBondContact O-CB 3.44Å; D686-A690 PolarHBondContact O-N 3.46Å; D686-A690 VanDerWaalsContact O-N 3.08Å; T688-A690 VanDerWaalsContact C-N 3.34Å; T688-A690 PolarHBondContact O-N 3.47Å; A690-N694 WeakPolarHBondContact O-CB 3.37Å; A690-N694 PolarHBondContact O-ND2 3.33Å |
| 691 | R | 56.9 | Low | 57.3 | Low | 147 Ų | 147 | 105.1 Ų | 105.1 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -87 | -35.6 | 171.3 | -95.1 | -179.5 | -87.6 | -130.8 | 4.3 | 112.1 | L687 T688 D689 N694 F695 | L687-R691 PolarHBondContact O-NE 2.92Å; L687-R691 PolarHBondContact O-NH2 3.26Å; T688-R691 CarbonylContact O-C 3.56Å; T688-R691 WeakPolarHBondContact O-CA 3.37Å; T688-R691 WeakPolarHBondContact O-CB 3.36Å; T688-R691 PolarHBondContact O-N 3.43Å; D689-R691 PolarHBondContact O-N 3.22Å; R691-N694 CarbonylContact O-C 3.56Å; R691-N694 WeakPolarHBondContact O-CA 3.37Å; R691-N694 WeakPolarHBondContact O-CB 3.35Å; R691-N694 PolarHBondContact O-N 3.45Å; R691-F695 WeakPolarHBondContact O-CD2 3.48Å; R691-F695 PolarHBondContact O-N 3.1Å |
| 692 | E | 54.5 | Low | 60.1 | Low | 129 Ų | 129 | 101.9 Ų | 101.9 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.6 | -44.2 | -177.7 | -154 | 153.5 | -144.7 | 0 | 0 | 111.3 | T688 D689 N694 F695 E696 | T688-E692 WeakPolarHBondContact O-CB 3.26Å; T688-E692 PolarHBondContact O-N 3Å; D689-E692 PolarHBondContact O-N 3.39Å; E692-N694 PolarHBondContact O-N 3.39Å; E692-F695 PolarHBondContact O-N 3.38Å; E692-E696 PolarHBondContact O-N 3Å |
| 693 | I | 56.3 | Low | 62.3 | Low | 114 Ų | 114 | 101.9 Ų | 101.9 | 59% | 0.585 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57 | -39.5 | 167.3 | -65 | 166.6 | 0 | 0 | 0 | 110.7 | D689 Y697 | D689-I693 WeakPolarHBondContact O-CB 3.39Å; D689-I693 VanDerWaalsContact O-CG1 3.31Å; D689-I693 WeakPolarHBondContact O-CG1 3.48Å; D689-I693 PolarHBondContact O-N 3Å; I693-Y697 WeakPolarHBondContact O-CB 3.45Å; I693-Y697 PolarHBondContact O-N 2.91Å |
| 694 | N | 57.8 | Low | 64.6 | Low | 72 Ų | 72 | 100.4 Ų | 100.4 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -34.5 | 175.1 | -92.9 | -36.5 | 0 | 0 | 0 | 112.5 | A690 R691 E692 L698 L723 | A690-N694 WeakPolarHBondContact O-CB 3.37Å; A690-N694 PolarHBondContact O-ND2 3.33Å; R691-N694 CarbonylContact O-C 3.56Å; R691-N694 WeakPolarHBondContact O-CA 3.37Å; R691-N694 WeakPolarHBondContact O-CB 3.35Å; R691-N694 PolarHBondContact O-N 3.45Å; E692-N694 PolarHBondContact O-N 3.39Å; N694-L698 WeakPolarHBondContact O-CA 3.43Å; N694-L698 WeakPolarHBondContact O-CB 3.27Å; N694-L698 PolarHBondContact O-N 3.41Å; N694-L723 WeakPolarHBondContact OD1-CD2 3.41Å |
| 695 | F | 63.5 | Low | 66.8 | Low | 139 Ų | 139 | 95.3 Ų | 95.3 | 61% | 0.61 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.9 | -39.3 | -180 | -84.2 | -66.9 | 0 | 0 | 0 | 113.4 | R691 E692 L698 K699 | R691-F695 WeakPolarHBondContact O-CD2 3.48Å; R691-F695 PolarHBondContact O-N 3.1Å; E692-F695 PolarHBondContact O-N 3.38Å; F695-L698 HydrophobicContact CD1-CD2 4.07Å; F695-L698 HydrophobicContact CE1-CD2 4.31Å; F695-K699 WeakPolarHBondContact O-CB 3.34Å; F695-K699 PolarHBondContact O-N 2.69Å |
| 696 | E | 67.4 | Low | 68.6 | Low | 162 Ų | 162 | 99.4 Ų | 99.4 | 76% | 0.757 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71.2 | -41.7 | 177.5 | -165.9 | 165.9 | -140.9 | 0 | 0 | 111.4 | E692 K699 H700 | E692-E696 PolarHBondContact O-N 3Å; E696-K699 PolarHBondContact O-N 3.03Å; E696-H700 PolarHBondContact O-N 2.87Å |
| 697 | Y | 77.1 | Confident | 70.5 | Confident | 136 Ų | 136 | 98 Ų | 98 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 172.6 | -169.3 | -108.8 | 0 | 0 | 0 | 112.4 | I693 H700 V701 L723 | I693-Y697 WeakPolarHBondContact O-CB 3.45Å; I693-Y697 PolarHBondContact O-N 2.91Å; Y697-H700 PolarHBondContact O-N 3.23Å; Y697-V701 HydrophobicContact CD1-CG2 3.85Å; Y697-V701 HydrophobicContact CE1-CG2 3.51Å; Y697-V701 HydrophobicContact CE2-CG2 4.22Å; Y697-V701 HydrophobicContact CG-CG2 4.33Å; Y697-V701 WeakPolarHBondContact O-CB 3.24Å; Y697-V701 WeakPolarHBondContact O-CG2 3.39Å; Y697-V701 PolarHBondContact O-N 3.19Å; Y697-L723 HydrophobicContact CD1-CD1 3.67Å; Y697-L723 HydrophobicContact CD1-CD2 3.91Å; Y697-L723 HydrophobicContact CD1-CG 4.44Å; Y697-L723 HydrophobicContact CE1-CD1 3.88Å; Y697-L723 HydrophobicContact CE1-CD2 4.46Å |
| 698 | L | 81 | Confident | 72.3 | Confident | 21 Ų | 21 | 94.5 Ų | 94.5 | 11% | 0.11 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.6 | 172.2 | 68.4 | 0 | 0 | 0 | 111.5 | N694 F695 H700 V701 V702 L723 L724 | N694-L698 WeakPolarHBondContact O-CA 3.43Å; N694-L698 WeakPolarHBondContact O-CB 3.27Å; N694-L698 PolarHBondContact O-N 3.41Å; F695-L698 HydrophobicContact CD1-CD2 4.07Å; F695-L698 HydrophobicContact CE1-CD2 4.31Å; L698-H700 VanDerWaalsContact C-N 3.29Å; L698-H700 PolarHBondContact O-N 2.88Å; L698-V701 PolarHBondContact O-N 2.88Å; L698-V702 HydrophobicContact CD1-CG2 3.53Å; L698-V702 HydrophobicContact CG-CG2 4.13Å; L698-V702 VanDerWaalsContact O-CB 3.31Å; L698-V702 WeakPolarHBondContact O-CB 3.38Å; L698-V702 VanDerWaalsContact O-CG2 3.31Å; L698-V702 WeakPolarHBondContact O-CG2 3.36Å; L698-V702 PolarHBondContact O-N 3.46Å; L698-L723 HydrophobicContact CB-CB 4.48Å; L698-L723 HydrophobicContact CD1-CB 3.71Å; L698-L724 HydrophobicContact CD1-CD1 4.27Å; L698-L724 HydrophobicContact CD1-CD2 3.51Å; L698-L724 HydrophobicContact CD1-CG 3.57Å; L698-L724 HydrophobicContact CD2-CD2 3.58Å; L698-L724 HydrophobicContact CG-CD2 4.12Å |
| 699 | K | 80.1 | Confident | 73.9 | Confident | 156 Ų | 156 | 99.4 Ų | 99.4 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57 | -45.7 | 174.3 | -176.3 | -178.4 | 178.1 | -176.3 | 0 | 110.4 | F695 E696 L703 | F695-K699 WeakPolarHBondContact O-CB 3.34Å; F695-K699 PolarHBondContact O-N 2.69Å; E696-K699 PolarHBondContact O-N 3.03Å; K699-L703 WeakPolarHBondContact O-CB 3.43Å; K699-L703 PolarHBondContact O-N 2.91Å |
| 700 | H | 82.3 | Confident | 75.4 | Confident | 111 Ų | 111 | 99 Ų | 99 | 51% | 0.514 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 176.5 | -173.9 | 79.9 | 0 | 0 | 0 | 112.6 | E696 Y697 L698 L703 K704 | E696-H700 PolarHBondContact O-N 2.87Å; Y697-H700 PolarHBondContact O-N 3.23Å; L698-H700 VanDerWaalsContact C-N 3.29Å; L698-H700 PolarHBondContact O-N 2.88Å; H700-L703 PolarHBondContact O-N 2.9Å; H700-K704 WeakPolarHBondContact O-CB 3.45Å; H700-K704 PolarHBondContact O-N 3.12Å |
| 701 | V | 85.1 | Confident | 76.9 | Confident | 5 Ų | 5 | 99.9 Ų | 99.9 | 3% | 0.03 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -68.2 | -40.7 | -177.8 | 171.3 | 0 | 0 | 0 | 0 | 112 | Y697 L698 F705 A719 V720 L723 | Y697-V701 HydrophobicContact CD1-CG2 3.85Å; Y697-V701 HydrophobicContact CE1-CG2 3.51Å; Y697-V701 HydrophobicContact CE2-CG2 4.22Å; Y697-V701 HydrophobicContact CG-CG2 4.33Å; Y697-V701 WeakPolarHBondContact O-CB 3.24Å; Y697-V701 WeakPolarHBondContact O-CG2 3.39Å; Y697-V701 PolarHBondContact O-N 3.19Å; L698-V701 PolarHBondContact O-N 2.88Å; V701-F705 WeakPolarHBondContact O-CB 3.49Å; V701-F705 PolarHBondContact O-N 2.81Å; V701-A719 HydrophobicContact CG1-CB 4.19Å; V701-V720 HydrophobicContact CG1-CG2 3.75Å; V701-L723 HydrophobicContact CB-CD1 3.86Å; V701-L723 HydrophobicContact CG1-CD1 3.9Å; V701-L723 HydrophobicContact CG2-CD1 3.9Å |
| 702 | V | 85.7 | Confident | 78.2 | Confident | 53 Ų | 53 | 97.6 Ų | 97.6 | 32% | 0.321 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 175 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L698 K704 F705 M706 L724 | L698-V702 HydrophobicContact CD1-CG2 3.53Å; L698-V702 HydrophobicContact CG-CG2 4.13Å; L698-V702 VanDerWaalsContact O-CB 3.31Å; L698-V702 WeakPolarHBondContact O-CB 3.38Å; L698-V702 VanDerWaalsContact O-CG2 3.31Å; L698-V702 WeakPolarHBondContact O-CG2 3.36Å; L698-V702 PolarHBondContact O-N 3.46Å; V702-K704 VanDerWaalsContact C-N 3.33Å; V702-K704 PolarHBondContact O-N 3.35Å; V702-F705 PolarHBondContact O-N 3.34Å; V702-M706 HydrophobicContact CG1-CG 4.44Å; V702-M706 WeakPolarHBondContact O-CB 3.29Å; V702-M706 VanDerWaalsContact O-CG 3.28Å; V702-M706 WeakPolarHBondContact O-CG 3.39Å; V702-M706 PolarHBondContact O-N 3.42Å; V702-L724 HydrophobicContact CG2-CD1 4.39Å |
| 703 | L | 84.6 | Confident | 79.7 | Confident | 111 Ų | 111 | 91.6 Ų | 91.6 | 58% | 0.581 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 178.3 | -161.1 | 124.6 | 0 | 0 | 0 | 110.9 | K699 H700 M706 S707 | K699-L703 WeakPolarHBondContact O-CB 3.43Å; K699-L703 PolarHBondContact O-N 2.91Å; H700-L703 PolarHBondContact O-N 2.9Å; L703-M706 PolarHBondContact O-N 2.82Å; L703-S707 WeakPolarHBondContact O-CB 3.48Å; L703-S707 PolarHBondContact O-N 3.32Å; L703-S707 PolarHBondContact O-OG 2.98Å |
| 704 | K | 86 | Confident | 81.2 | Confident | 110 Ų | 110 | 89.7 Ų | 89.7 | 48% | 0.478 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 173.3 | -168.6 | 172.3 | -174.6 | 173 | 0 | 112.2 | H700 V702 M706 S707 C708 L716 | H700-K704 WeakPolarHBondContact O-CB 3.45Å; H700-K704 PolarHBondContact O-N 3.12Å; V702-K704 VanDerWaalsContact C-N 3.33Å; V702-K704 PolarHBondContact O-N 3.35Å; K704-M706 VanDerWaalsContact C-N 3.29Å; K704-M706 PolarHBondContact O-N 3.05Å; K704-S707 PolarHBondContact O-N 3.03Å; K704-C708 VanDerWaalsContact O-CB 3.24Å; K704-C708 WeakPolarHBondContact O-CB 3.32Å; K704-C708 PolarHBondContact O-N 3.3Å; K704-C708 PolarHBondContact O-SG 3.39Å; K704-L716 HydrophobicContact CB-CD1 4.48Å; K704-L716 HydrophobicContact CD-CD1 4.41Å; K704-L716 HydrophobicContact CG-CD1 4.05Å |
| 705 | F | 89.3 | Confident | 82.5 | Confident | 24 Ų | 24 | 93.4 Ų | 93.4 | 11% | 0.105 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 175.3 | -180 | -91.5 | 0 | 0 | 0 | 112.1 | V701 V702 A713 L716 I717 V720 L734 | V701-F705 WeakPolarHBondContact O-CB 3.49Å; V701-F705 PolarHBondContact O-N 2.81Å; V702-F705 PolarHBondContact O-N 3.34Å; F705-A713 HydrophobicContact CD2-CB 4.02Å; F705-A713 HydrophobicContact CE2-CB 4Å; F705-A713 VanDerWaalsContact CE2-O 3.28Å; F705-A713 WeakPolarHBondContact CE2-O 3.44Å; F705-L716 HydrophobicContact CB-CD1 4.5Å; F705-L716 HydrophobicContact CD2-CB 3.82Å; F705-I717 HydrophobicContact CE2-CG1 3.71Å; F705-I717 HydrophobicContact CZ-CG1 4.22Å; F705-V720 HydrophobicContact CB-CG2 4Å; F705-V720 HydrophobicContact CD2-CG2 3.8Å; F705-V720 HydrophobicContact CE2-CG2 4.47Å; F705-V720 HydrophobicContact CG-CG2 3.92Å; F705-L734 HydrophobicContact CE1-CD2 4.41Å; F705-L734 HydrophobicContact CZ-CD2 4.24Å |
| 706 | M | 84.7 | Confident | 83.7 | Confident | 144 Ų | 144 | 88.6 Ų | 88.6 | 71% | 0.709 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -78.8 | -18 | 179.1 | -67.5 | -63.2 | -65.7 | 0 | 0 | 114.3 | V702 L703 K704 | V702-M706 HydrophobicContact CG1-CG 4.44Å; V702-M706 WeakPolarHBondContact O-CB 3.29Å; V702-M706 VanDerWaalsContact O-CG 3.28Å; V702-M706 WeakPolarHBondContact O-CG 3.39Å; V702-M706 PolarHBondContact O-N 3.42Å; L703-M706 PolarHBondContact O-N 2.82Å; K704-M706 VanDerWaalsContact C-N 3.29Å; K704-M706 PolarHBondContact O-N 3.05Å |
| 707 | S | 83 | Confident | 84.7 | Confident | 97 Ų | 97 | 81 Ų | 81 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -115.9 | -6.5 | -175 | -59.1 | 0 | 0 | 0 | 0 | 115.3 | L703 K704 | L703-S707 WeakPolarHBondContact O-CB 3.48Å; L703-S707 PolarHBondContact O-N 3.32Å; L703-S707 PolarHBondContact O-OG 2.98Å; K704-S707 PolarHBondContact O-N 3.03Å |
| 708 | C | 86.4 | Confident | 85.1 | Confident | 29 Ų | 29 | 81.8 Ų | 81.8 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -88.4 | 169.7 | 174.9 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | K704 E712 A713 | K704-C708 VanDerWaalsContact O-CB 3.24Å; K704-C708 WeakPolarHBondContact O-CB 3.32Å; K704-C708 PolarHBondContact O-N 3.3Å; K704-C708 PolarHBondContact O-SG 3.39Å; C708-E712 HydrophobicContact CB-CB 4Å; C708-E712 WeakPolarHBondContact CB-OE2 3.48Å; C708-A713 VanDerWaalsContact SG-CA 3.59Å; C708-A713 PolarHBondContact SG-N 3.42Å |
| 709 | R | 85.9 | Confident | 85.2 | Confident | 177 Ų | 177 | 82.3 Ų | 82.3 | 67% | 0.668 | 41% | 0.406 | S | S | * | . | trans | -67 | 152.5 | 176.6 | -65 | 177.2 | 178.4 | 178.3 | 0.3 | 110.1 | S711 E712 A713 | R709-S711 PolarHBondContact O-N 2.66Å; R709-S711 VanDerWaalsContact O-N 3.12Å; R709-E712 HydrophobicContact CB-CG 4.43Å; R709-E712 PolarHBondContact N-OE2 2.95Å; R709-E712 WeakPolarHBondContact O-CA 3.3Å; R709-E712 WeakPolarHBondContact O-CB 3.38Å; R709-E712 PolarHBondContact O-N 2.68Å; R709-A713 PolarHBondContact O-N 3Å | ||
| 710 | E | 84.9 | Confident | 85.5 | Confident | 90 Ų | 90 | 75.2 Ų | 75.2 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.4 | -39.9 | -176.6 | -69.1 | 77.4 | -176.5 | 0 | 0 | 112.1 | E712 A713 F714 L738 K741 M742 | E710-E712 VanDerWaalsContact C-N 3.28Å; E710-E712 PolarHBondContact O-N 3.33Å; E710-A713 PolarHBondContact O-N 3.04Å; E710-F714 PolarHBondContact O-N 3.32Å; E710-L738 HydrophobicContact CB-CG 4.49Å; E710-L738 WeakPolarHBondContact O-CD2 3.39Å; E710-K741 HydrophobicContact CG-CB 4.35Å; E710-M742 VanDerWaalsContact C-CE 3.4Å; E710-M742 HydrophobicContact CB-CE 3.88Å; E710-M742 HydrophobicContact CB-CG 4.04Å; E710-M742 WeakPolarHBondContact O-CE 3.37Å |
| 711 | S | 82 | Confident | 85.6 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 49% | 0.49 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.1 | -25 | 177.9 | 55.2 | 0 | 0 | 0 | 0 | 114 | R709 H715 | R709-S711 PolarHBondContact O-N 2.66Å; R709-S711 VanDerWaalsContact O-N 3.12Å; S711-H715 PolarHBondContact O-CE1 3.07Å; S711-H715 PolarHBondContact O-ND1 2.79Å |
| 712 | E | 84.5 | Confident | 85.4 | Confident | 99 Ų | 99 | 75 Ų | 75 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -83 | -40.6 | 173.7 | -64.2 | 169.5 | 173.5 | 0 | 0 | 110.2 | C708 R709 E710 F714 H715 L716 | C708-E712 HydrophobicContact CB-CB 4Å; C708-E712 WeakPolarHBondContact CB-OE2 3.48Å; R709-E712 HydrophobicContact CB-CG 4.43Å; R709-E712 PolarHBondContact N-OE2 2.95Å; R709-E712 WeakPolarHBondContact O-CA 3.3Å; R709-E712 WeakPolarHBondContact O-CB 3.38Å; R709-E712 PolarHBondContact O-N 2.68Å; E710-E712 VanDerWaalsContact C-N 3.28Å; E710-E712 PolarHBondContact O-N 3.33Å; E712-F714 VanDerWaalsContact C-N 3.26Å; E712-F714 PolarHBondContact O-N 2.99Å; E712-H715 PolarHBondContact O-N 3.41Å; E712-L716 PolarHBondContact O-N 3.32Å |
| 713 | A | 87 | Confident | 85.3 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 3% | 0.033 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.2 | -35.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F705 C708 R709 E710 H715 L716 I717 L738 | F705-A713 HydrophobicContact CD2-CB 4.02Å; F705-A713 HydrophobicContact CE2-CB 4Å; F705-A713 VanDerWaalsContact CE2-O 3.28Å; F705-A713 WeakPolarHBondContact CE2-O 3.44Å; C708-A713 VanDerWaalsContact SG-CA 3.59Å; C708-A713 PolarHBondContact SG-N 3.42Å; R709-A713 PolarHBondContact O-N 3Å; E710-A713 PolarHBondContact O-N 3.04Å; A713-H715 VanDerWaalsContact C-N 3.29Å; A713-H715 PolarHBondContact O-N 2.83Å; A713-L716 CarbonylContact O-C 3.59Å; A713-L716 WeakPolarHBondContact O-CA 3.45Å; A713-L716 WeakPolarHBondContact O-CB 3.27Å; A713-L716 PolarHBondContact O-N 3.3Å; A713-I717 PolarHBondContact O-N 3.03Å; A713-L738 HydrophobicContact CB-CD1 4.49Å; A713-L738 HydrophobicContact CB-CD2 3.83Å |
| 714 | F | 87.3 | Confident | 85.2 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 32% | 0.32 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.5 | -39.9 | 176.9 | -161.5 | -100.4 | 0 | 0 | 0 | 113 | E710 E712 L716 I717 K735 L738 E739 M742 | E710-F714 PolarHBondContact O-N 3.32Å; E712-F714 VanDerWaalsContact C-N 3.26Å; E712-F714 PolarHBondContact O-N 2.99Å; F714-L716 VanDerWaalsContact C-N 3.32Å; F714-I717 HydrophobicContact CD2-CD1 3.81Å; F714-I717 HydrophobicContact CE2-CD1 4.23Å; F714-I717 HydrophobicContact CG-CD1 4.37Å; F714-I717 PolarHBondContact O-N 3.42Å; F714-K735 HydrophobicContact CE2-CB 4.14Å; F714-K735 HydrophobicContact CE2-CG 4.09Å; F714-K735 HydrophobicContact CZ-CG 4.39Å; F714-L738 HydrophobicContact CB-CD2 3.84Å; F714-L738 HydrophobicContact CD2-CB 4.36Å; F714-L738 HydrophobicContact CD2-CD2 4.05Å; F714-L738 HydrophobicContact CG-CD2 4.46Å; F714-L738 VanDerWaalsContact N-CD2 3.27Å; F714-E739 HydrophobicContact CE2-CG 3.83Å; F714-E739 WeakPolarHBondContact CE2-OE1 3.29Å; F714-E739 HydrophobicContact CZ-CG 4.45Å; F714-E739 WeakPolarHBondContact CZ-OE1 3.47Å; F714-M742 HydrophobicContact CB-CE 4Å; F714-M742 HydrophobicContact CD2-CE 4.28Å; F714-M742 HydrophobicContact CG-CE 4.41Å |
| 715 | H | 85.4 | Confident | 84.8 | Confident | 151 Ų | 151 | 73.1 Ų | 73.1 | 70% | 0.699 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70.7 | -29.2 | 175.6 | -62.2 | 106.4 | 0 | 0 | 0 | 112.5 | S711 E712 A713 | S711-H715 PolarHBondContact O-CE1 3.07Å; S711-H715 PolarHBondContact O-ND1 2.79Å; E712-H715 PolarHBondContact O-N 3.41Å; A713-H715 VanDerWaalsContact C-N 3.29Å; A713-H715 PolarHBondContact O-N 2.83Å |
| 716 | L | 88.1 | Confident | 84.4 | Confident | 38 Ų | 38 | 75.1 Ų | 75.1 | 20% | 0.199 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -80.1 | -17 | 178.5 | -68.3 | 175.8 | 0 | 0 | 0 | 113.6 | K704 F705 E712 A713 F714 K718 A719 V720 | K704-L716 HydrophobicContact CB-CD1 4.48Å; K704-L716 HydrophobicContact CD-CD1 4.41Å; K704-L716 HydrophobicContact CG-CD1 4.05Å; F705-L716 HydrophobicContact CB-CD1 4.5Å; F705-L716 HydrophobicContact CD2-CB 3.82Å; E712-L716 PolarHBondContact O-N 3.32Å; A713-L716 CarbonylContact O-C 3.59Å; A713-L716 WeakPolarHBondContact O-CA 3.45Å; A713-L716 WeakPolarHBondContact O-CB 3.27Å; A713-L716 PolarHBondContact O-N 3.3Å; F714-L716 VanDerWaalsContact C-N 3.32Å; L716-K718 PolarHBondContact O-N 2.95Å; L716-K718 VanDerWaalsContact O-N 3.16Å; L716-A719 WeakPolarHBondContact O-CB 3.36Å; L716-A719 PolarHBondContact O-N 3.36Å; L716-V720 WeakPolarHBondContact O-CG2 3.33Å; L716-V720 PolarHBondContact O-N 2.93Å |
| 717 | I | 89.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -48.4 | -45.7 | 177.2 | -68.7 | 176.3 | 0 | 0 | 0 | 111.4 | F705 A713 F714 A719 V720 S721 E731 K735 L738 | F705-I717 HydrophobicContact CE2-CG1 3.71Å; F705-I717 HydrophobicContact CZ-CG1 4.22Å; A713-I717 PolarHBondContact O-N 3.03Å; F714-I717 HydrophobicContact CD2-CD1 3.81Å; F714-I717 HydrophobicContact CE2-CD1 4.23Å; F714-I717 HydrophobicContact CG-CD1 4.37Å; F714-I717 PolarHBondContact O-N 3.42Å; I717-A719 PolarHBondContact O-N 2.93Å; I717-V720 PolarHBondContact O-N 3.13Å; I717-S721 VanDerWaalsContact O-CB 3.32Å; I717-S721 WeakPolarHBondContact O-CB 3.29Å; I717-S721 PolarHBondContact O-N 3.4Å; I717-S721 PolarHBondContact O-OG 3.34Å; I717-E731 HydrophobicContact CG2-CG 3.71Å; I717-K735 HydrophobicContact CD1-CB 4.3Å; I717-K735 HydrophobicContact CD1-CG 3.59Å; I717-K735 HydrophobicContact CG2-CG 4.15Å; I717-L738 HydrophobicContact CD1-CD2 4.21Å |
| 718 | K | 84.1 | Confident | 84.2 | Confident | 153 Ų | 153 | 71 Ų | 71 | 67% | 0.665 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.5 | -32.7 | -176.9 | -164.2 | 166.5 | -172.9 | 168.5 | 0 | 112.8 | L716 V722 | L716-K718 PolarHBondContact O-N 2.95Å; L716-K718 VanDerWaalsContact O-N 3.16Å; K718-V722 WeakPolarHBondContact O-CG2 3.33Å; K718-V722 PolarHBondContact O-N 2.89Å |
| 719 | A | 84.3 | Confident | 83.8 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.4 | -47.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | V701 L716 I717 S721 V722 L723 | V701-A719 HydrophobicContact CG1-CB 4.19Å; L716-A719 WeakPolarHBondContact O-CB 3.36Å; L716-A719 PolarHBondContact O-N 3.36Å; I717-A719 PolarHBondContact O-N 2.93Å; A719-S721 VanDerWaalsContact C-N 3.31Å; A719-S721 PolarHBondContact O-N 2.92Å; A719-V722 PolarHBondContact O-N 3.37Å; A719-L723 WeakPolarHBondContact O-CB 3.47Å; A719-L723 WeakPolarHBondContact O-CG 3.37Å; A719-L723 PolarHBondContact O-N 2.98Å |
| 720 | V | 85.1 | Confident | 83.6 | Confident | 7 Ų | 7 | 71.2 Ų | 71.2 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.4 | -44.4 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 111 | V701 F705 L716 I717 V722 L723 L724 F726 | V701-V720 HydrophobicContact CG1-CG2 3.75Å; F705-V720 HydrophobicContact CB-CG2 4Å; F705-V720 HydrophobicContact CD2-CG2 3.8Å; F705-V720 HydrophobicContact CE2-CG2 4.47Å; F705-V720 HydrophobicContact CG-CG2 3.92Å; L716-V720 WeakPolarHBondContact O-CG2 3.33Å; L716-V720 PolarHBondContact O-N 2.93Å; I717-V720 PolarHBondContact O-N 3.13Å; V720-V722 PolarHBondContact O-N 2.81Å; V720-L723 PolarHBondContact O-N 3.24Å; V720-L724 HydrophobicContact CG1-CD1 3.72Å; V720-L724 HydrophobicContact CG1-CG 4.44Å; V720-L724 WeakPolarHBondContact O-CB 3.38Å; V720-L724 PolarHBondContact O-N 2.99Å; V720-F726 HydrophobicContact CG1-CE2 3.72Å; V720-F726 HydrophobicContact CG1-CZ 4.3Å |
| 721 | S | 85.6 | Confident | 83.7 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 5% | 0.049 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | -178.6 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | I717 A719 N725 F726 E731 | I717-S721 VanDerWaalsContact O-CB 3.32Å; I717-S721 WeakPolarHBondContact O-CB 3.29Å; I717-S721 PolarHBondContact O-N 3.4Å; I717-S721 PolarHBondContact O-OG 3.34Å; A719-S721 VanDerWaalsContact C-N 3.31Å; A719-S721 PolarHBondContact O-N 2.92Å; S721-N725 CarbonylContact O-C 3.51Å; S721-N725 VanDerWaalsContact O-CA 3.29Å; S721-N725 WeakPolarHBondContact O-CA 3.33Å; S721-N725 PolarHBondContact O-N 3.43Å; S721-F726 PolarHBondContact O-N 3.41Å; S721-E731 WeakPolarHBondContact OG-CG 3.5Å |
| 722 | V | 81.3 | Confident | 83.8 | Confident | 104 Ų | 104 | 67.8 Ų | 67.8 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.8 | -39.9 | 175 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | K718 A719 V720 | K718-V722 WeakPolarHBondContact O-CG2 3.33Å; K718-V722 PolarHBondContact O-N 2.89Å; A719-V722 PolarHBondContact O-N 3.37Å; V720-V722 PolarHBondContact O-N 2.81Å |
| 723 | L | 82.1 | Confident | 83.6 | Confident | 26 Ų | 26 | 66.2 Ų | 66.2 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.7 | -32.4 | -178.4 | -65.4 | 168 | 0 | 0 | 0 | 113.2 | N694 Y697 L698 V701 A719 V720 | N694-L723 WeakPolarHBondContact OD1-CD2 3.41Å; Y697-L723 HydrophobicContact CD1-CD1 3.67Å; Y697-L723 HydrophobicContact CD1-CD2 3.91Å; Y697-L723 HydrophobicContact CD1-CG 4.44Å; Y697-L723 HydrophobicContact CE1-CD1 3.88Å; Y697-L723 HydrophobicContact CE1-CD2 4.46Å; L698-L723 HydrophobicContact CB-CB 4.48Å; L698-L723 HydrophobicContact CD1-CB 3.71Å; V701-L723 HydrophobicContact CB-CD1 3.86Å; V701-L723 HydrophobicContact CG1-CD1 3.9Å; V701-L723 HydrophobicContact CG2-CD1 3.9Å; A719-L723 WeakPolarHBondContact O-CB 3.47Å; A719-L723 WeakPolarHBondContact O-CG 3.37Å; A719-L723 PolarHBondContact O-N 2.98Å; V720-L723 PolarHBondContact O-N 3.24Å |
| 724 | L | 82.3 | Confident | 83.6 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -94.5 | -4.3 | 176.8 | -68.6 | 176.6 | 0 | 0 | 0 | 113.9 | L698 V702 V720 F726 | L698-L724 HydrophobicContact CD1-CD1 4.27Å; L698-L724 HydrophobicContact CD1-CD2 3.51Å; L698-L724 HydrophobicContact CD1-CG 3.57Å; L698-L724 HydrophobicContact CD2-CD2 3.58Å; L698-L724 HydrophobicContact CG-CD2 4.12Å; V702-L724 HydrophobicContact CG2-CD1 4.39Å; V720-L724 HydrophobicContact CG1-CD1 3.72Å; V720-L724 HydrophobicContact CG1-CG 4.44Å; V720-L724 WeakPolarHBondContact O-CB 3.38Å; V720-L724 PolarHBondContact O-N 2.99Å; L724-F726 HydrophobicContact CB-CD1 3.82Å; L724-F726 HydrophobicContact CB-CE1 3.59Å; L724-F726 HydrophobicContact CB-CE2 4.43Å; L724-F726 HydrophobicContact CB-CG 4.36Å; L724-F726 HydrophobicContact CB-CZ 3.93Å; L724-F726 HydrophobicContact CD1-CE1 3.74Å; L724-F726 HydrophobicContact CD1-CE2 4.03Å; L724-F726 HydrophobicContact CD1-CZ 3.33Å; L724-F726 HydrophobicContact CG-CE1 4.28Å; L724-F726 HydrophobicContact CG-CZ 4.25Å |
| 725 | N | 78.9 | Confident | 83.6 | Confident | 139 Ų | 139 | 67.4 Ų | 67.4 | 74% | 0.743 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 46.4 | -173.5 | -55.1 | -77.2 | 0 | 0 | 0 | 113.2 | S721 | S721-N725 CarbonylContact O-C 3.51Å; S721-N725 VanDerWaalsContact O-CA 3.29Å; S721-N725 WeakPolarHBondContact O-CA 3.33Å; S721-N725 PolarHBondContact O-N 3.43Å |
| 726 | F | 81.2 | Confident | 83.6 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | trans | -64.5 | 144.4 | 175.3 | -71.3 | -20.1 | 0 | 0 | 0 | 111.9 | V720 S721 L724 E730 L734 | V720-F726 HydrophobicContact CG1-CE2 3.72Å; V720-F726 HydrophobicContact CG1-CZ 4.3Å; S721-F726 PolarHBondContact O-N 3.41Å; L724-F726 HydrophobicContact CB-CD1 3.82Å; L724-F726 HydrophobicContact CB-CE1 3.59Å; L724-F726 HydrophobicContact CB-CE2 4.43Å; L724-F726 HydrophobicContact CB-CG 4.36Å; L724-F726 HydrophobicContact CB-CZ 3.93Å; L724-F726 HydrophobicContact CD1-CE1 3.74Å; L724-F726 HydrophobicContact CD1-CE2 4.03Å; L724-F726 HydrophobicContact CD1-CZ 3.33Å; L724-F726 HydrophobicContact CG-CE1 4.28Å; L724-F726 HydrophobicContact CG-CZ 4.25Å; F726-E730 WeakPolarHBondContact CA-OE2 3.38Å; F726-E730 HydrophobicContact CB-CB 3.89Å; F726-E730 HydrophobicContact CD1-CB 4.48Å; F726-E730 HydrophobicContact CG-CB 4.17Å; F726-L734 HydrophobicContact CD2-CD1 3.74Å; F726-L734 HydrophobicContact CE2-CD1 3.26Å; F726-L734 HydrophobicContact CZ-CD1 4.14Å | ||
| 727 | S | 81.8 | Confident | 83.3 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | trans | -67.9 | 164.9 | 168.5 | 94.6 | 0 | 0 | 0 | 0 | 111.1 | E729 E730 E731 | S727-E729 VanDerWaalsContact CB-OE2 3.23Å; S727-E729 WeakPolarHBondContact CB-OE2 3.47Å; S727-E729 PolarHBondContact O-N 3.39Å; S727-E729 PolarHBondContact OG-N 3.47Å; S727-E729 PolarHBondContact OG-OE2 2.78Å; S727-E730 PolarHBondContact N-OE2 2.92Å; S727-E730 PolarHBondContact O-N 2.94Å; S727-E730 VanDerWaalsContact O-N 3.17Å; S727-E730 PolarHBondContact OG-N 2.88Å; S727-E731 PolarHBondContact O-N 3.14Å | ||
| 728 | Q | 80.3 | Confident | 83.2 | Confident | 109 Ų | 109 | 66.6 Ų | 66.6 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.4 | -30.6 | 177.7 | -168.3 | 62.1 | 84.4 | 0 | 0 | 111.8 | E731 N732 | Q728-E731 PolarHBondContact NE2-OE2 2.91Å; Q728-N732 PolarHBondContact NE2-OD1 2.92Å; Q728-N732 VanDerWaalsContact O-CB 3.3Å; Q728-N732 WeakPolarHBondContact O-CB 3.47Å; Q728-N732 PolarHBondContact O-N 3.1Å; Q728-N732 PolarHBondContact O-ND2 3.37Å; Q728-N732 PolarHBondContact O-OD1 2.9Å |
| 729 | E | 79.8 | Confident | 83.2 | Confident | 136 Ų | 136 | 64 Ų | 64 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68 | -42.1 | 173.2 | -56.4 | 77 | -168.1 | 0 | 0 | 112 | S727 N732 M733 | S727-E729 VanDerWaalsContact CB-OE2 3.23Å; S727-E729 WeakPolarHBondContact CB-OE2 3.47Å; S727-E729 PolarHBondContact O-N 3.39Å; S727-E729 PolarHBondContact OG-N 3.47Å; S727-E729 PolarHBondContact OG-OE2 2.78Å; E729-N732 PolarHBondContact O-N 3.01Å; E729-M733 WeakPolarHBondContact O-CB 3.45Å; E729-M733 PolarHBondContact O-N 3.31Å |
| 730 | E | 81.3 | Confident | 83.2 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 34% | 0.341 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 177.2 | -68.7 | 174.3 | 146.2 | 0 | 0 | 111.9 | F726 S727 N732 M733 L734 | F726-E730 WeakPolarHBondContact CA-OE2 3.38Å; F726-E730 HydrophobicContact CB-CB 3.89Å; F726-E730 HydrophobicContact CD1-CB 4.48Å; F726-E730 HydrophobicContact CG-CB 4.17Å; S727-E730 PolarHBondContact N-OE2 2.92Å; S727-E730 PolarHBondContact O-N 2.94Å; S727-E730 VanDerWaalsContact O-N 3.17Å; S727-E730 PolarHBondContact OG-N 2.88Å; E730-N732 VanDerWaalsContact C-N 3.33Å; E730-N732 PolarHBondContact O-N 3.43Å; E730-M733 PolarHBondContact O-N 2.87Å; E730-L734 PolarHBondContact O-N 3.41Å |
| 731 | E | 86.2 | Confident | 83 | Confident | 25 Ų | 25 | 73 Ų | 73 | 12% | 0.117 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 172.6 | -177.3 | -175.6 | 172.8 | 0 | 0 | 111.2 | I717 S721 S727 Q728 L734 K735 | I717-E731 HydrophobicContact CG2-CG 3.71Å; S721-E731 WeakPolarHBondContact OG-CG 3.5Å; S727-E731 PolarHBondContact O-N 3.14Å; Q728-E731 PolarHBondContact NE2-OE2 2.91Å; E731-L734 PolarHBondContact O-N 3.32Å; E731-K735 PolarHBondContact O-N 2.96Å; E731-K735 VanDerWaalsContact O-N 3.11Å; E731-K735 WeakPolarHBondContact OE1-CE 3.49Å; E731-K735 IonicContact OE1-NZ 2.75Å; E731-K735 PolarHBondContact OE1-NZ 3.48Å; E731-K735 IonicContact OE2-NZ 3.7Å |
| 732 | N | 83.6 | Confident | 82.6 | Confident | 63 Ų | 63 | 77 Ų | 77 | 34% | 0.337 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.6 | -37 | 179.8 | -71 | -12.5 | 0 | 0 | 0 | 112.1 | Q728 E729 E730 L734 K735 E736 | Q728-N732 PolarHBondContact NE2-OD1 2.92Å; Q728-N732 VanDerWaalsContact O-CB 3.3Å; Q728-N732 WeakPolarHBondContact O-CB 3.47Å; Q728-N732 PolarHBondContact O-N 3.1Å; Q728-N732 PolarHBondContact O-ND2 3.37Å; Q728-N732 PolarHBondContact O-OD1 2.9Å; E729-N732 PolarHBondContact O-N 3.01Å; E730-N732 VanDerWaalsContact C-N 3.33Å; E730-N732 PolarHBondContact O-N 3.43Å; N732-L734 VanDerWaalsContact C-N 3.27Å; N732-L734 PolarHBondContact O-N 2.86Å; N732-K735 PolarHBondContact O-N 2.93Å; N732-K735 VanDerWaalsContact O-N 3.17Å; N732-E736 WeakPolarHBondContact O-CG 3.46Å; N732-E736 PolarHBondContact O-N 3.28Å |
| 733 | M | 82.1 | Confident | 82.5 | Confident | 67 Ų | 67 | 74.8 Ų | 74.8 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 174.2 | -167 | -165.2 | -47.9 | 0 | 0 | 111.8 | E729 E730 T737 | E729-M733 WeakPolarHBondContact O-CB 3.45Å; E729-M733 PolarHBondContact O-N 3.31Å; E730-M733 PolarHBondContact O-N 2.87Å; M733-T737 VanDerWaalsContact O-CB 3.31Å; M733-T737 WeakPolarHBondContact O-CB 3.42Å; M733-T737 PolarHBondContact O-N 3.08Å; M733-T737 PolarHBondContact O-OG1 3.5Å |
| 734 | L | 85.6 | Confident | 81.9 | Confident | 48 Ų | 48 | 84.8 Ų | 84.8 | 25% | 0.251 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 174.7 | -82.8 | 160.8 | 0 | 0 | 0 | 112.3 | F705 F726 E730 E731 N732 T737 L738 | F705-L734 HydrophobicContact CE1-CD2 4.41Å; F705-L734 HydrophobicContact CZ-CD2 4.24Å; F726-L734 HydrophobicContact CD2-CD1 3.74Å; F726-L734 HydrophobicContact CE2-CD1 3.26Å; F726-L734 HydrophobicContact CZ-CD1 4.14Å; E730-L734 PolarHBondContact O-N 3.41Å; E731-L734 PolarHBondContact O-N 3.32Å; N732-L734 VanDerWaalsContact C-N 3.27Å; N732-L734 PolarHBondContact O-N 2.86Å; L734-T737 PolarHBondContact O-N 3.16Å; L734-L738 WeakPolarHBondContact O-CB 3.27Å; L734-L738 PolarHBondContact O-N 3.36Å |
| 735 | K | 87.1 | Confident | 80.5 | Confident | 54 Ų | 54 | 90.4 Ų | 90.4 | 24% | 0.235 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.8 | -53.1 | 173.6 | -69.8 | 171.3 | -171.9 | 157.1 | 0 | 111.7 | F714 I717 E731 N732 T737 L738 E739 | F714-K735 HydrophobicContact CE2-CB 4.14Å; F714-K735 HydrophobicContact CE2-CG 4.09Å; F714-K735 HydrophobicContact CZ-CG 4.39Å; I717-K735 HydrophobicContact CD1-CB 4.3Å; I717-K735 HydrophobicContact CD1-CG 3.59Å; I717-K735 HydrophobicContact CG2-CG 4.15Å; E731-K735 PolarHBondContact O-N 2.96Å; E731-K735 VanDerWaalsContact O-N 3.11Å; E731-K735 WeakPolarHBondContact OE1-CE 3.49Å; E731-K735 IonicContact OE1-NZ 2.75Å; E731-K735 PolarHBondContact OE1-NZ 3.48Å; E731-K735 IonicContact OE2-NZ 3.7Å; N732-K735 PolarHBondContact O-N 2.93Å; N732-K735 VanDerWaalsContact O-N 3.17Å; K735-T737 PolarHBondContact O-N 3.42Å; K735-L738 PolarHBondContact O-N 3.47Å; K735-E739 WeakPolarHBondContact O-CB 3.42Å; K735-E739 WeakPolarHBondContact O-CG 3.41Å; K735-E739 PolarHBondContact O-N 3.02Å |
| 736 | E | 85.4 | Confident | 79.4 | Confident | 103 Ų | 103 | 85.3 Ų | 85.3 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.8 | -38.9 | 178.1 | -71.8 | 178.4 | -166.7 | 0 | 0 | 111.7 | N732 Y740 P749 | N732-E736 WeakPolarHBondContact O-CG 3.46Å; N732-E736 PolarHBondContact O-N 3.28Å; E736-Y740 VanDerWaalsContact O-CB 3.26Å; E736-Y740 WeakPolarHBondContact O-CB 3.48Å; E736-Y740 PolarHBondContact O-N 3.15Å; E736-P749 HydrophobicContact CB-CB 4.14Å; E736-P749 HydrophobicContact CB-CG 4.26Å |
| 737 | T | 83.6 | Confident | 78.5 | Confident | 54 Ų | 54 | 87.5 Ų | 87.5 | 33% | 0.331 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 178 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | M733 L734 K735 K741 | M733-T737 VanDerWaalsContact O-CB 3.31Å; M733-T737 WeakPolarHBondContact O-CB 3.42Å; M733-T737 PolarHBondContact O-N 3.08Å; M733-T737 PolarHBondContact O-OG1 3.5Å; L734-T737 PolarHBondContact O-N 3.16Å; K735-T737 PolarHBondContact O-N 3.42Å; T737-K741 PolarHBondContact O-N 3.49Å |
| 738 | L | 85.7 | Confident | 78.1 | Confident | 16 Ų | 16 | 93.2 Ų | 93.2 | 8% | 0.084 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -76.6 | -40.9 | 178.2 | -135.4 | 77.2 | 0 | 0 | 0 | 112 | E710 A713 F714 I717 L734 K735 Y740 K741 M742 | E710-L738 HydrophobicContact CB-CG 4.49Å; E710-L738 WeakPolarHBondContact O-CD2 3.39Å; A713-L738 HydrophobicContact CB-CD1 4.49Å; A713-L738 HydrophobicContact CB-CD2 3.83Å; F714-L738 HydrophobicContact CB-CD2 3.84Å; F714-L738 HydrophobicContact CD2-CB 4.36Å; F714-L738 HydrophobicContact CD2-CD2 4.05Å; F714-L738 HydrophobicContact CG-CD2 4.46Å; F714-L738 VanDerWaalsContact N-CD2 3.27Å; I717-L738 HydrophobicContact CD1-CD2 4.21Å; L734-L738 WeakPolarHBondContact O-CB 3.27Å; L734-L738 PolarHBondContact O-N 3.36Å; K735-L738 PolarHBondContact O-N 3.47Å; L738-Y740 VanDerWaalsContact C-N 3.32Å; L738-Y740 PolarHBondContact O-N 2.89Å; L738-K741 WeakPolarHBondContact O-CB 3.48Å; L738-K741 PolarHBondContact O-N 3.45Å; L738-K741 VanDerWaalsContact O-N 3.11Å; L738-M742 HydrophobicContact CD2-CE 3.97Å; L738-M742 HydrophobicContact CG-CE 4.18Å; L738-M742 WeakPolarHBondContact O-CG 3.38Å; L738-M742 PolarHBondContact O-N 3.3Å |
| 739 | E | 84.6 | Confident | 77.6 | Confident | 98 Ų | 98 | 89.5 Ų | 89.5 | 46% | 0.458 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 173.1 | -73.7 | 172.8 | -164.7 | 0 | 0 | 111.3 | F714 K735 M742 S743 | F714-E739 HydrophobicContact CE2-CG 3.83Å; F714-E739 WeakPolarHBondContact CE2-OE1 3.29Å; F714-E739 HydrophobicContact CZ-CG 4.45Å; F714-E739 WeakPolarHBondContact CZ-OE1 3.47Å; K735-E739 WeakPolarHBondContact O-CB 3.42Å; K735-E739 WeakPolarHBondContact O-CG 3.41Å; K735-E739 PolarHBondContact O-N 3.02Å; E739-M742 PolarHBondContact O-N 2.94Å; E739-S743 WeakPolarHBondContact O-CB 3.3Å; E739-S743 PolarHBondContact O-N 3.16Å |
| 740 | Y | 83.6 | Confident | 76.6 | Confident | 90 Ų | 90 | 86.7 Ų | 86.7 | 35% | 0.353 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 169.9 | 168.1 | -116.2 | 0 | 0 | 0 | 112 | E736 L738 M742 S743 G746 K748 | E736-Y740 VanDerWaalsContact O-CB 3.26Å; E736-Y740 WeakPolarHBondContact O-CB 3.48Å; E736-Y740 PolarHBondContact O-N 3.15Å; L738-Y740 VanDerWaalsContact C-N 3.32Å; L738-Y740 PolarHBondContact O-N 2.89Å; Y740-M742 VanDerWaalsContact C-N 3.29Å; Y740-M742 PolarHBondContact O-N 2.99Å; Y740-S743 PolarHBondContact O-N 3.35Å; Y740-G746 VanDerWaalsContact CE2-O 3.29Å; Y740-G746 WeakPolarHBondContact CE2-O 3.48Å; Y740-K748 HydrophobicContact CD1-CB 4.26Å; Y740-K748 HydrophobicContact CD1-CG 4.24Å; Y740-K748 HydrophobicContact CE1-CB 3.75Å; Y740-K748 HydrophobicContact CE1-CD 4.49Å; Y740-K748 HydrophobicContact CE1-CG 3.85Å; Y740-K748 HydrophobicContact CE2-CB 4.31Å |
| 741 | K | 80.4 | Confident | 75.5 | Confident | 138 Ų | 138 | 88.8 Ų | 88.8 | 60% | 0.6 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.8 | -30.4 | 176.7 | -79.8 | -173.1 | 169.3 | -166.5 | 0 | 113.8 | E710 T737 L738 | E710-K741 HydrophobicContact CG-CB 4.35Å; T737-K741 PolarHBondContact O-N 3.49Å; L738-K741 WeakPolarHBondContact O-CB 3.48Å; L738-K741 PolarHBondContact O-N 3.45Å; L738-K741 VanDerWaalsContact O-N 3.11Å |
| 742 | M | 78.8 | Confident | 74 | Confident | 93 Ų | 93 | 96.5 Ų | 96.5 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -81.9 | -20 | 175 | -64.8 | -176.7 | -151.1 | 0 | 0 | 113.7 | E710 F714 L738 E739 Y740 | E710-M742 VanDerWaalsContact C-CE 3.4Å; E710-M742 HydrophobicContact CB-CE 3.88Å; E710-M742 HydrophobicContact CB-CG 4.04Å; E710-M742 WeakPolarHBondContact O-CE 3.37Å; F714-M742 HydrophobicContact CB-CE 4Å; F714-M742 HydrophobicContact CD2-CE 4.28Å; F714-M742 HydrophobicContact CG-CE 4.41Å; L738-M742 HydrophobicContact CD2-CE 3.97Å; L738-M742 HydrophobicContact CG-CE 4.18Å; L738-M742 WeakPolarHBondContact O-CG 3.38Å; L738-M742 PolarHBondContact O-N 3.3Å; E739-M742 PolarHBondContact O-N 2.94Å; Y740-M742 VanDerWaalsContact C-N 3.29Å; Y740-M742 PolarHBondContact O-N 2.99Å |
| 743 | S | 77.9 | Confident | 72.2 | Confident | 57 Ų | 57 | 96.5 Ų | 96.5 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | trans | -100.8 | 119 | -171.3 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | E739 Y740 F745 G746 | E739-S743 WeakPolarHBondContact O-CB 3.3Å; E739-S743 PolarHBondContact O-N 3.16Å; Y740-S743 PolarHBondContact O-N 3.35Å; S743-F745 PolarHBondContact O-N 3.43Å; S743-F745 VanDerWaalsContact O-N 3.14Å; S743-G746 PolarHBondContact O-N 3.39Å; S743-G746 PolarHBondContact OG-N 3.37Å | ||
| 744 | W | 69.8 | Low | 70.3 | Confident | 235 Ų | 235 | 98.6 Ų | 98.6 | 89% | 0.89 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.8 | 178.5 | -163.5 | -80.5 | 0 | 0 | 0 | 114.1 | ||
| 745 | F | 53 | Low | 68.5 | Low | 187 Ų | 187 | 102.9 Ų | 102.9 | 82% | 0.82 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | 8.3 | -173.6 | -67 | -81.4 | 0 | 0 | 0 | 114 | S743 | S743-F745 PolarHBondContact O-N 3.43Å; S743-F745 VanDerWaalsContact O-N 3.14Å |
| 746 | G | 55.8 | Low | 66.2 | Low | 32 Ų | 32 | 109.4 Ų | 109.4 | 33% | 0.33 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 154.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y740 S743 | Y740-G746 VanDerWaalsContact CE2-O 3.29Å; Y740-G746 WeakPolarHBondContact CE2-O 3.48Å; S743-G746 PolarHBondContact O-N 3.39Å; S743-G746 PolarHBondContact OG-N 3.37Å |
| 747 | S | 63.4 | Low | 64 | Low | 112 Ų | 112 | 109 Ų | 109 | 78% | 0.783 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 140.1 | 163.6 | -63.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 748 | K | 72.4 | Confident | 62.1 | Low | 167 Ų | 167 | 112.5 Ų | 112.5 | 73% | 0.726 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 125.5 | 179.4 | -175 | 178.4 | 179 | -179.7 | 0 | 110.2 | Y740 | Y740-K748 HydrophobicContact CD1-CB 4.26Å; Y740-K748 HydrophobicContact CD1-CG 4.24Å; Y740-K748 HydrophobicContact CE1-CB 3.75Å; Y740-K748 HydrophobicContact CE1-CD 4.49Å; Y740-K748 HydrophobicContact CE1-CG 3.85Å; Y740-K748 HydrophobicContact CE2-CB 4.31Å |
| 749 | P | 70.4 | Confident | 60.1 | Low | 31 Ų | 31 | 119.5 Ų | 119.5 | 20% | 0.201 | 64% | 0.64 | C | S | . | * | P | Polyproline II helix | trans | -63 | 139.8 | -178 | 23.6 | -32.9 | 0 | 0 | 0 | 111.5 | E736 | E736-P749 HydrophobicContact CB-CB 4.14Å; E736-P749 HydrophobicContact CB-CG 4.26Å |
| 750 | A | 58.4 | Low | 57.7 | Low | 78 Ų | 78 | 119 Ų | 119 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 131.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K752 | A750-K752 PolarHBondContact O-N 3.18Š|
| 751 | P | 58.9 | Low | 55.2 | Low | 117 Ų | 117 | 122.5 Ų | 122.5 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | trans | -69.5 | 101.3 | -177.8 | 27.8 | -34.2 | 0 | 0 | 0 | 111.1 | G753 | P751-G753 PolarHBondContact O-N 3.46Š| ||
| 752 | K | 52.8 | Low | 53.5 | Low | 186 Ų | 186 | 121.1 Ų | 121.1 | 81% | 0.809 | 68% | 0.677 | S | S | * | * | trans | -81.3 | 93.8 | 175.6 | -71.6 | 179.6 | -177.4 | 167.3 | 0 | 111 | A750 | A750-K752 PolarHBondContact O-N 3.18Š| ||
| 753 | G | 46.9 | Very low | 51.4 | Low | 64 Ų | 64 | 128.4 Ų | 128.4 | 66% | 0.66 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 96.4 | 152 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116 | P751 I755 | P751-G753 PolarHBondContact O-N 3.46Å; G753-I755 PolarHBondContact O-N 3.37Å |
| 754 | S | 42.6 | Very low | 49.4 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | -64.9 | 117.6 | -173.8 | 179.4 | 0 | 0 | 0 | 0 | 112.9 | R756 | S754-R756 VanDerWaalsContact C-N 3.3Å; S754-R756 PolarHBondContact O-N 2.99Å | ||
| 755 | I | 46.8 | Very low | 48.2 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | trans | -68.2 | 93.1 | 157.5 | -56.6 | 173.6 | 0 | 0 | 0 | 106.8 | G753 P757 | G753-I755 PolarHBondContact O-N 3.37Å; I755-P757 WeakPolarHBondContact O-CD 3.25Å | ||
| 756 | R | 39.3 | Very low | 47.2 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | trans | -84.6 | 117.5 | 175.7 | -162.6 | 179.4 | -158.4 | -101.4 | 5 | 107.9 | S754 S758 | S754-R756 VanDerWaalsContact C-N 3.3Å; S754-R756 PolarHBondContact O-N 2.99Å; R756-S758 PolarHBondContact O-N 3.34Å | ||
| 757 | P | 38.4 | Very low | 46.5 | Very low | 96 Ų | 96 | 137 Ų | 137 | 62% | 0.623 | 76% | 0.762 | S | S | * | * | trans | -61.9 | 124.4 | -178.7 | -22 | 33 | 0 | 0 | 0 | 110.8 | I755 I759 | I755-P757 WeakPolarHBondContact O-CD 3.25Å; P757-I759 PolarHBondContact O-N 3.39Å | ||
| 758 | S | 43.4 | Very low | 45.7 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -70.8 | 21.6 | -177.1 | -52.1 | 0 | 0 | 0 | 0 | 114.5 | R756 | R756-S758 PolarHBondContact O-N 3.34Š|
| 759 | I | 43.8 | Very low | 44.2 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -126 | 77.5 | -175.4 | -38.2 | 176.3 | 0 | 0 | 0 | 109.1 | P757 | P757-I759 PolarHBondContact O-N 3.39Š| ||
| 760 | S | 34.8 | Very low | 42.8 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | trans | -146.6 | 85.7 | 168.4 | 43.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 761 | N | 30.8 | Very low | 41.9 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 149.6 | 160.1 | -132.3 | 16.1 | 0 | 0 | 0 | 108.7 | ||
| 762 | P | 44.3 | Very low | 40.8 | Very low | 110 Ų | 110 | 148.3 Ų | 148.3 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76 | 154.1 | -161.2 | 29.2 | -34.9 | 0 | 0 | 0 | 114.3 | ||
| 763 | R | 34.9 | Very low | 40 | Very low | 246 Ų | 246 | 145.7 Ų | 145.7 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138.9 | -179.4 | -60.1 | 175.3 | -176.6 | 169.7 | -0.5 | 112.4 | ||
| 764 | I | 36.1 | Very low | 39.5 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 121.7 | 156.6 | -47.8 | 178 | 0 | 0 | 0 | 107 | ||
| 765 | P | 45.9 | Very low | 39.3 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 131.3 | 173.7 | 33.4 | -29.9 | 0 | 0 | 0 | 110.3 | ||
| 766 | W | 32.3 | Very low | 38.7 | Very low | 237 Ų | 237 | 156.1 Ų | 156.1 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | -125.2 | 147 | 167.3 | -80.4 | 62.3 | 0 | 0 | 0 | 109.6 | ||||
| 767 | S | 39.9 | Very low | 38.6 | Very low | 196 Ų | 196 | 153 Ų | 153 | 100% | 1.371 | 84% | 0.838 | S | S | * | * | trans | -75.6 | 0 | -179.1 | -54.1 | 0 | 0 | 0 | 0 | 113.1 |
Retrieved 767 of 767 residues in 1499.8 ms
(Link to these results)