| 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 | 40.3 | Very low | 42.4 | Very low | 244 Ų | 244 | 151.8 Ų | 151.8 | 100% | 1.202 | 81% | 0.812 | S | S | * | * | 0 | 166.2 | 0 | -72.8 | -56.8 | -167.4 | 0 | 0 | 109.1 | |||||
| 2 | A | 41.5 | Very low | 41.7 | Very low | 87 Ų | 87 | 145.8 Ų | 145.8 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | trans | -48.2 | 137.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | S | 45.3 | Very low | 41.4 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | 65 | 136.5 | 96.7 | -44.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 4 | R | 40.1 | Very low | 41 | Very low | 242 Ų | 242 | 138.7 Ų | 138.7 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | cis | -150.1 | 150.1 | 44.6 | -82.6 | 178.3 | 166.2 | 169.3 | -5.3 | 114.4 | ||||
| 5 | E | 50.2 | Low | 40.6 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 63% | 0.631 | 82% | 0.82 | S | S | * | * | trans | -82.3 | 160.1 | 147.2 | -131 | -162.2 | -122.8 | 0 | 0 | 108 | R7 | E5-R7 VanDerWaalsContact OE2-CG 3.31Å; E5-R7 WeakPolarHBondContact OE2-CG 3.31Å; E5-R7 IonicContact OE2-CZ 3.77Å; E5-R7 IonicContact OE2-NE 2.87Å; E5-R7 PolarHBondContact OE2-NE 2.87Å; E5-R7 IonicContact OE2-NH2 3.79Å | ||
| 6 | P | 56.8 | Low | 40.4 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 69% | 0.688 | 82% | 0.821 | S | S | * | * | -154.4 | 152.9 | 62.3 | 45.2 | -25.3 | 0 | 0 | 0 | 118.2 | |||||
| 7 | R | 43.9 | Very low | 40 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 74% | 0.743 | 82% | 0.823 | S | S | * | * | 50.5 | 150.8 | 121.6 | -62.5 | 176.6 | -172.7 | -146.1 | -9.4 | 121.6 | E5 | E5-R7 VanDerWaalsContact OE2-CG 3.31Å; E5-R7 WeakPolarHBondContact OE2-CG 3.31Å; E5-R7 IonicContact OE2-CZ 3.77Å; E5-R7 IonicContact OE2-NE 2.87Å; E5-R7 PolarHBondContact OE2-NE 2.87Å; E5-R7 IonicContact OE2-NH2 3.79Å | |||
| 8 | R | 39.6 | Very low | 39.7 | Very low | 233 Ų | 233 | 143.7 Ų | 143.7 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | cis | 178.1 | 153 | -5.3 | 164.1 | -175 | -154.6 | -100.3 | 4.6 | 109.9 | ||||
| 9 | G | 33.4 | Very low | 39.4 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | 110.7 | 120.9 | 159 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 10 | G | 36.3 | Very low | 39.1 | Very low | 65 Ų | 65 | 145.2 Ų | 145.2 | 67% | 0.67 | 82% | 0.824 | S | S | * | * | cis | 108.6 | 95.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 11 | D | 38.8 | Very low | 38.8 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | 59.9 | 157.1 | 144.3 | -44.3 | -35.5 | 0 | 0 | 0 | 122.1 | ||||
| 12 | G | 34.6 | Very low | 38.3 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 145.6 | 82.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 13 | A | 36.7 | Very low | 37.9 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -60.1 | 156.2 | 175 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 14 | A | 36.7 | Very low | 37.3 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | 60.3 | 127.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 15 | Q | 35.5 | Very low | 36.9 | Very low | 204 Ų | 204 | 138 Ų | 138 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | -168.7 | 173.3 | 102.7 | -107.3 | -174.3 | 3.3 | 0 | 0 | 112.8 | |||||
| 16 | A | 37.4 | Very low | 36.1 | Very low | 101 Ų | 101 | 140.6 Ų | 140.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -107.7 | 154.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 17 | A | 33.4 | Very low | 35.7 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -137.3 | 166.3 | 168 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 18 | R | 33.1 | Very low | 35.3 | Very low | 235 Ų | 235 | 137.4 Ų | 137.4 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -125.9 | 166.8 | -166.6 | -63.9 | 169.3 | 167.1 | 153.8 | -8.7 | 112.4 | ||||
| 19 | K | 35 | Very low | 35.3 | Very low | 191 Ų | 191 | 132.4 Ų | 132.4 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | 82.9 | 146.3 | 165.1 | -58 | -178.4 | 174.9 | -179.5 | 0 | 115.3 | ||||
| 20 | T | 34.2 | Very low | 35.3 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -159.3 | 142.8 | -0.4 | 4.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 21 | R | 31.6 | Very low | 35 | Very low | 207 Ų | 207 | 140.7 Ų | 140.7 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | 42.5 | 117.4 | 136 | -172.9 | -176.7 | -177.6 | 171.8 | 2.7 | 122.2 | E23 | R21-E23 IonicContact CZ-OE1 2.63Å; R21-E23 IonicContact NE-OE1 3.23Å; R21-E23 PolarHBondContact NE-OE1 2.74Å; R21-E23 IonicContact NH2-OE1 2.67Å; R21-E23 PolarHBondContact NH2-OE1 2.77Å | ||
| 22 | A | 29.9 | Very low | 34.9 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | 179.2 | 122.8 | 127 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 23 | E | 33.2 | Very low | 34.7 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 67% | 0.673 | 79% | 0.794 | S | S | * | * | 56.6 | 113.3 | 79.8 | -64.3 | 169 | -133.9 | 0 | 0 | 111.9 | R21 | R21-E23 IonicContact CZ-OE1 2.63Å; R21-E23 IonicContact NE-OE1 3.23Å; R21-E23 PolarHBondContact NE-OE1 2.74Å; R21-E23 IonicContact NH2-OE1 2.67Å; R21-E23 PolarHBondContact NH2-OE1 2.77Å | |||
| 24 | A | 31.8 | Very low | 34.7 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | cis | -154.8 | -169.1 | -5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 25 | N | 32.8 | Very low | 34.6 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | cis | -160.3 | -177.2 | 8.1 | -150.1 | -5.7 | 0 | 0 | 0 | 111 | ||||
| 26 | Y | 33.6 | Very low | 34.7 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | trans | -121.4 | 168.8 | 166.9 | -89.7 | -92.8 | 0 | 0 | 0 | 110.7 | L28 | Y26-L28 HydrophobicContact CD1-CD1 3.95Å; Y26-L28 HydrophobicContact CE1-CD1 3.92Å | ||
| 27 | P | 48.6 | Very low | 34.5 | Very low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | -138.6 | 145.2 | 89 | 35.6 | -20.2 | 0 | 0 | 0 | 115.1 | |||||
| 28 | L | 35.6 | Very low | 34.9 | Very low | 112 Ų | 112 | 147 Ų | 147 | 59% | 0.586 | 79% | 0.79 | S | S | * | * | trans | -74.1 | 173.4 | 153.1 | -106.8 | 77.4 | 0 | 0 | 0 | 109.8 | Y26 E30 | Y26-L28 HydrophobicContact CD1-CD1 3.95Å; Y26-L28 HydrophobicContact CE1-CD1 3.92Å; L28-E30 HydrophobicContact CD2-CG 3.68Å | ||
| 29 | P | 38.5 | Very low | 34.8 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | -117.4 | 123.5 | 120.9 | 32.5 | -31.7 | 0 | 0 | 0 | 111.4 | |||||
| 30 | E | 34.5 | Very low | 34.8 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -77.7 | 150 | 154.6 | -61.3 | 177 | 132 | 0 | 0 | 108.2 | L28 | L28-E30 HydrophobicContact CD2-CG 3.68Š| ||
| 31 | N | 29.8 | Very low | 34.8 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -160 | 105.3 | 142.3 | -107.3 | -0.7 | 0 | 0 | 0 | 107.7 | ||||
| 32 | S | 35.9 | Very low | 35.1 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -105.9 | 98.5 | 178.4 | -58.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 33 | D | 30.8 | Very low | 35.8 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -105.3 | 113.5 | 168.7 | -86.3 | -51 | 0 | 0 | 0 | 109.6 | ||||
| 34 | S | 37.2 | Very low | 36 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -95 | 116.9 | -179.8 | 58.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 35 | L | 33.4 | Very low | 36.3 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -121.8 | 117.5 | 159.3 | -84.7 | 170.2 | 0 | 0 | 0 | 109.5 | ||||
| 36 | N | 38.8 | Very low | 36.4 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -83.9 | 109.9 | 165 | -63.4 | -72.2 | 0 | 0 | 0 | 107.1 | ||||
| 37 | E | 33.6 | Very low | 36.6 | Very low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -130.8 | 101.5 | 167 | -157.9 | 144.5 | -133.1 | 0 | 0 | 107.9 | E39 | E37-E39 VanDerWaalsContact C-N 3.27Å; E37-E39 PolarHBondContact O-N 3.23Å | ||
| 38 | A | 40.3 | Very low | 36.3 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -80.9 | 77.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A40 | A38-A40 PolarHBondContact O-N 3.3Š| ||
| 39 | E | 31.8 | Very low | 36.5 | Very low | 166 Ų | 166 | 137 Ų | 137 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -68.3 | 99 | 178.8 | -169.1 | 166.3 | -141.9 | 0 | 0 | 110.1 | E37 L41 | E37-E39 VanDerWaalsContact C-N 3.27Å; E37-E39 PolarHBondContact O-N 3.23Å; E39-L41 PolarHBondContact O-N 3.32Å; E39-L41 VanDerWaalsContact O-N 3.07Å | ||
| 40 | A | 33.9 | Very low | 36.9 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 61% | 0.612 | 80% | 0.796 | S | S | * | * | trans | -69.3 | 103.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A38 N42 | A38-A40 PolarHBondContact O-N 3.3Å; A40-N42 PolarHBondContact O-N 3.04Å; A40-N42 PolarHBondContact O-ND2 3.36Å | ||
| 41 | L | 35.7 | Very low | 37.2 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -66.6 | 95.2 | 176.3 | -64.9 | 177.5 | 0 | 0 | 0 | 110.4 | E39 P43 | E39-L41 PolarHBondContact O-N 3.32Å; E39-L41 VanDerWaalsContact O-N 3.07Å; L41-P43 WeakPolarHBondContact O-CD 3.42Å | ||
| 42 | N | 37.9 | Very low | 37.8 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -65 | 122.5 | 176.3 | -61 | -72.9 | 0 | 0 | 0 | 110.3 | A40 E44 | A40-N42 PolarHBondContact O-N 3.04Å; A40-N42 PolarHBondContact O-ND2 3.36Å; N42-E44 PolarHBondContact O-N 3.01Å | ||
| 43 | P | 44.2 | Very low | 38.2 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -82 | 43.1 | -179.3 | 35.6 | -36.9 | 0 | 0 | 0 | 112.7 | L41 | L41-P43 WeakPolarHBondContact O-CD 3.42Š|
| 44 | E | 37.7 | Very low | 38.7 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -122.6 | 57.6 | 177.6 | -69.6 | -162.6 | 151.3 | 0 | 0 | 111.7 | N42 | N42-E44 PolarHBondContact O-N 3.01Š| ||
| 45 | V | 37.1 | Very low | 39.2 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -91.1 | 95.4 | 156.7 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | L47 | V45-L47 VanDerWaalsContact C-N 3.3Å; V45-L47 HydrophobicContact CG1-CD2 4.1Å; V45-L47 HydrophobicContact CG1-CG 4.33Å; V45-L47 PolarHBondContact O-N 3.27Å | ||
| 46 | T | 36.4 | Very low | 40.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -66.3 | 89.4 | 170.2 | 29.7 | 0 | 0 | 0 | 0 | 109.9 | S48 | T46-S48 VanDerWaalsContact C-N 3.32Å; T46-S48 PolarHBondContact O-N 3.36Å | ||
| 47 | L | 37.2 | Very low | 40.7 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -66.5 | 93.1 | 167.1 | -68.1 | 177.2 | 0 | 0 | 0 | 108.9 | V45 S49 | V45-L47 VanDerWaalsContact C-N 3.3Å; V45-L47 HydrophobicContact CG1-CD2 4.1Å; V45-L47 HydrophobicContact CG1-CG 4.33Å; V45-L47 PolarHBondContact O-N 3.27Å; L47-S49 PolarHBondContact O-N 3.22Å | ||
| 48 | S | 41.9 | Very low | 41.6 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | -69.1 | 66.3 | 166.5 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | T46 E50 | T46-S48 VanDerWaalsContact C-N 3.32Å; T46-S48 PolarHBondContact O-N 3.36Å; S48-E50 PolarHBondContact O-N 3.33Å | ||
| 49 | S | 40.6 | Very low | 41.9 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | -73.9 | 77.6 | 167.1 | 59.3 | 0 | 0 | 0 | 0 | 108.8 | L47 G51 | L47-S49 PolarHBondContact O-N 3.22Å; S49-G51 PolarHBondContact O-N 3.4Å | ||
| 50 | E | 45.3 | Very low | 42.8 | Very low | 201 Ų | 201 | 130.1 Ų | 130.1 | 94% | 0.939 | 70% | 0.703 | S | S | * | * | trans | -74.1 | 64.9 | 172.4 | -166.7 | 160.1 | -164.4 | 0 | 0 | 110 | S48 | S48-E50 PolarHBondContact O-N 3.33Š| ||
| 51 | G | 41.8 | Very low | 43.5 | Very low | 52 Ų | 52 | 131.7 Ų | 131.7 | 54% | 0.536 | 70% | 0.7 | S | S | . | * | trans | -112.5 | 133.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | S49 L53 | S49-G51 PolarHBondContact O-N 3.4Å; G51-L53 PolarHBondContact O-N 3.08Å | ||
| 52 | Y | 42.6 | Very low | 44.3 | Very low | 232 Ų | 232 | 132.6 Ų | 132.6 | 91% | 0.91 | 70% | 0.7 | S | S | * | * | trans | -64.2 | 99.3 | 174.4 | -119.9 | -102.7 | 0 | 0 | 0 | 109.2 | N54 | Y52-N54 PolarHBondContact O-N 3.21Š| ||
| 53 | L | 42.9 | Very low | 44.6 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 70% | 0.696 | 70% | 0.695 | S | S | * | * | trans | -74.6 | 99.9 | 168 | -65.5 | 178.6 | 0 | 0 | 0 | 107.6 | G51 L55 | G51-L53 PolarHBondContact O-N 3.08Å; L53-L55 PolarHBondContact O-N 3Å | ||
| 54 | N | 42.3 | Very low | 44.9 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 51% | 0.513 | 69% | 0.691 | S | S | . | * | trans | -56.6 | 126.9 | 165 | -75.6 | -10.4 | 0 | 0 | 0 | 108.2 | Y52 E56 D57 | Y52-N54 PolarHBondContact O-N 3.21Å; N54-E56 WeakPolarHBondContact CB-OE2 3.43Å; N54-E56 PolarHBondContact O-N 3.45Å; N54-D57 WeakPolarHBondContact O-CB 3.45Å; N54-D57 PolarHBondContact O-N 2.92Å; N54-D57 VanDerWaalsContact O-N 3.13Å | ||
| 55 | L | 48.3 | Very low | 45.1 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 62% | 0.618 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -24.5 | -177.9 | -93.7 | 61.7 | 0 | 0 | 0 | 111.5 | L53 D57 I58 L59 | L53-L55 PolarHBondContact O-N 3Å; L55-D57 VanDerWaalsContact C-N 3.26Å; L55-D57 PolarHBondContact O-N 3.34Å; L55-I58 WeakPolarHBondContact O-CB 3.38Å; L55-I58 PolarHBondContact O-N 2.8Å; L55-I58 VanDerWaalsContact O-N 3.09Å; L55-L59 PolarHBondContact O-N 3.28Å |
| 56 | E | 53.1 | Low | 45.5 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 53% | 0.533 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -55.9 | -36.8 | 173.9 | -63.8 | 69.5 | -154.4 | 0 | 0 | 112.3 | N54 I58 L59 Y60 | N54-E56 WeakPolarHBondContact CB-OE2 3.43Å; N54-E56 PolarHBondContact O-N 3.45Å; E56-I58 PolarHBondContact O-N 3.34Å; E56-L59 PolarHBondContact O-N 2.9Å; E56-Y60 WeakPolarHBondContact O-CD2 3.45Å; E56-Y60 PolarHBondContact O-N 3.17Å |
| 57 | D | 50.9 | Low | 45.8 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 54% | 0.535 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -68.1 | -18.1 | 179.4 | -118.4 | 54.3 | 0 | 0 | 0 | 112.7 | N54 L55 K243 | N54-D57 WeakPolarHBondContact O-CB 3.45Å; N54-D57 PolarHBondContact O-N 2.92Å; N54-D57 VanDerWaalsContact O-N 3.13Å; L55-D57 VanDerWaalsContact C-N 3.26Å; L55-D57 PolarHBondContact O-N 3.34Å; D57-K243 IonicContact OD2-NZ 2.74Å; D57-K243 PolarHBondContact OD2-NZ 2.86Å; D57-K243 VanDerWaalsContact OD2-NZ 3.09Å |
| 58 | I | 51.9 | Low | 46.1 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 53% | 0.528 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -93.2 | -42.4 | 179.3 | -57.3 | 176.6 | 0 | 0 | 0 | 110.2 | L55 E56 Y60 L61 | L55-I58 WeakPolarHBondContact O-CB 3.38Å; L55-I58 PolarHBondContact O-N 2.8Å; L55-I58 VanDerWaalsContact O-N 3.09Å; E56-I58 PolarHBondContact O-N 3.34Å; I58-Y60 VanDerWaalsContact C-N 3.35Å; I58-Y60 PolarHBondContact O-N 3.48Å; I58-L61 PolarHBondContact O-N 3.33Å |
| 59 | L | 46.6 | Very low | 46 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.6 | -28.6 | -175.4 | -64.4 | 172.6 | 0 | 0 | 0 | 113.3 | L55 E56 L61 E62 | L55-L59 PolarHBondContact O-N 3.28Å; E56-L59 PolarHBondContact O-N 2.9Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-L61 PolarHBondContact O-N 3.27Å; L59-E62 PolarHBondContact O-N 3.5Å |
| 60 | Y | 50.2 | Low | 46 | Very low | 180 Ų | 180 | 130.6 Ų | 130.6 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 5.5 | 176.4 | -83.3 | -75 | 0 | 0 | 0 | 115.3 | E56 I58 | E56-Y60 WeakPolarHBondContact O-CD2 3.45Å; E56-Y60 PolarHBondContact O-N 3.17Å; I58-Y60 VanDerWaalsContact C-N 3.35Å; I58-Y60 PolarHBondContact O-N 3.48Å |
| 61 | L | 49.9 | Very low | 45.5 | Very low | 108 Ų | 108 | 128 Ų | 128 | 57% | 0.565 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -11.7 | 167.9 | -73.6 | 171.8 | 0 | 0 | 0 | 113.3 | I58 L59 | I58-L61 PolarHBondContact O-N 3.33Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-L61 PolarHBondContact O-N 3.27Å |
| 62 | E | 51 | Low | 45 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -105.9 | 17.7 | -179.4 | -158.7 | 161.6 | -129.1 | 0 | 0 | 112.3 | L59 | L59-E62 PolarHBondContact O-N 3.5Š|
| 63 | D | 43.8 | Very low | 44.7 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | trans | -72 | 136.3 | 178 | -158.7 | -0.8 | 0 | 0 | 0 | 112.1 | ||||
| 64 | T | 51.1 | Low | 44.4 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -66 | 143.9 | -170.1 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 65 | G | 43.1 | Very low | 44 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | 174.8 | -32.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 66 | D | 44.7 | Very low | 43.4 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 66% | 0.658 | 69% | 0.693 | S | S | * | * | trans | -130.5 | 65.8 | -169.4 | -146.5 | -7.7 | 0 | 0 | 0 | 112.2 | ||||
| 67 | L | 43.4 | Very low | 42.6 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 93% | 0.927 | 71% | 0.706 | S | S | * | * | trans | -102.2 | 16.4 | 169.9 | -76 | 174.6 | 0 | 0 | 0 | 112.2 | ||||
| 68 | D | 42.6 | Very low | 42 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | -113 | 0.5 | -173.5 | -141.4 | 16.8 | 0 | 0 | 0 | 113.3 | T70 | D68-T70 PolarHBondContact O-N 2.93Š| ||
| 69 | E | 39.7 | Very low | 41.3 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | -72.7 | 75.1 | 165.6 | -168.3 | 146.9 | -120 | 0 | 0 | 109.5 | L71 | E69-L71 PolarHBondContact O-N 3.48Š| ||
| 70 | T | 40.8 | Very low | 41 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 61% | 0.607 | 74% | 0.74 | S | S | * | * | trans | -58.6 | 93 | -179.7 | 40.6 | 0 | 0 | 0 | 0 | 110.9 | D68 Y72 | D68-T70 PolarHBondContact O-N 2.93Å; T70-Y72 PolarHBondContact O-N 3.44Å | ||
| 71 | L | 34.6 | Very low | 40.4 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -69.2 | 85.3 | 173.9 | -158.4 | 161.3 | 0 | 0 | 0 | 108.6 | E69 V73 | E69-L71 PolarHBondContact O-N 3.48Å; L71-V73 HydrophobicContact CD2-CG2 3.79Å; L71-V73 PolarHBondContact O-N 2.81Å | ||
| 72 | Y | 32.3 | Very low | 39.7 | Very low | 204 Ų | 204 | 142.9 Ų | 142.9 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -57.6 | 90.9 | 167 | -93.7 | -92.7 | 0 | 0 | 0 | 108.4 | T70 Q74 | T70-Y72 PolarHBondContact O-N 3.44Å; Y72-Q74 PolarHBondContact O-N 2.89Å | ||
| 73 | V | 36 | Very low | 38.8 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 62% | 0.624 | 76% | 0.755 | S | S | * | * | trans | -63 | 92.6 | 155.8 | 179.8 | 0 | 0 | 0 | 0 | 105.2 | L71 E75 | L71-V73 HydrophobicContact CD2-CG2 3.79Å; L71-V73 PolarHBondContact O-N 2.81Å; V73-E75 HydrophobicContact CG1-CG 3.98Å; V73-E75 PolarHBondContact O-N 3.14Å | ||
| 74 | Q | 36.2 | Very low | 38.2 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -73.4 | 70.9 | 168.9 | -169.5 | 173.3 | 41.2 | 0 | 0 | 107.9 | Y72 T76 | Y72-Q74 PolarHBondContact O-N 2.89Å; Q74-T76 HydrophobicContact CG-CG2 4.24Å; Q74-T76 PolarHBondContact O-N 3.05Å | ||
| 75 | E | 33.8 | Very low | 37.5 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -54.9 | 106.5 | 156.4 | -94.7 | 171 | 171.1 | 0 | 0 | 106.4 | V73 E77 | V73-E75 HydrophobicContact CG1-CG 3.98Å; V73-E75 PolarHBondContact O-N 3.14Å; E75-E77 PolarHBondContact O-N 3.13Å | ||
| 76 | T | 35.4 | Very low | 37.2 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | -76.2 | 62.4 | 171.3 | 58.3 | 0 | 0 | 0 | 0 | 108.4 | Q74 K78 | Q74-T76 HydrophobicContact CG-CG2 4.24Å; Q74-T76 PolarHBondContact O-N 3.05Å; T76-K78 PolarHBondContact O-N 3.45Å | ||
| 77 | E | 37 | Very low | 36.5 | Very low | 175 Ų | 175 | 155.3 Ų | 155.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -61.6 | 102.1 | 167.5 | -170.1 | 172.2 | -126.5 | 0 | 0 | 106.5 | E75 | E75-E77 PolarHBondContact O-N 3.13Š| ||
| 78 | K | 36.9 | Very low | 36.4 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 127.2 | 175 | -62.3 | 173 | -169.8 | 170.3 | 0 | 105.9 | T76 E80 | T76-K78 PolarHBondContact O-N 3.45Å; K78-E80 PolarHBondContact O-N 3.32Å |
| 79 | P | 38.1 | Very low | 35.9 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 119.5 | 169.7 | 25.9 | -32.6 | 0 | 0 | 0 | 107.6 | E81 | P79-E81 PolarHBondContact O-N 3.27Š|
| 80 | E | 39.4 | Very low | 35.6 | Very low | 185 Ų | 185 | 155.1 Ų | 155.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 129.3 | 172.1 | -64 | -168.1 | 137.4 | 0 | 0 | 108.2 | K78 A82 | K78-E80 PolarHBondContact O-N 3.32Å; E80-A82 PolarHBondContact O-N 3.01Å |
| 81 | E | 38.4 | Very low | 36 | Very low | 179 Ų | 179 | 156.2 Ų | 156.2 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -65.8 | 100.8 | 176.5 | -72.3 | -178.2 | 114.1 | 0 | 0 | 108.7 | P79 L83 | P79-E81 PolarHBondContact O-N 3.27Å; E81-L83 PolarHBondContact O-N 2.94Å | ||
| 82 | A | 34.7 | Very low | 36 | Very low | 92 Ų | 92 | 157.1 Ų | 157.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -65.7 | 83.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E80 Y84 | E80-A82 PolarHBondContact O-N 3.01Å; A82-Y84 PolarHBondContact O-N 3.39Å | ||
| 83 | L | 33.8 | Very low | 36 | Very low | 152 Ų | 152 | 156.5 Ų | 156.5 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -63.6 | 98.2 | 177.7 | -71.8 | 175.3 | 0 | 0 | 0 | 109.7 | E81 I85 | E81-L83 PolarHBondContact O-N 2.94Å; L83-I85 PolarHBondContact O-N 3.31Å; L83-I85 VanDerWaalsContact O-N 3.07Å | ||
| 84 | Y | 30.3 | Very low | 35.8 | Very low | 221 Ų | 221 | 156.1 Ų | 156.1 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -56.4 | 110 | 168.4 | -108.9 | -98.5 | 0 | 0 | 0 | 109.7 | A82 E86 | A82-Y84 PolarHBondContact O-N 3.39Å; Y84-E86 PolarHBondContact O-N 2.89Å | ||
| 85 | I | 36.4 | Very low | 35.7 | Very low | 150 Ų | 150 | 155.3 Ų | 155.3 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -86.2 | 99.6 | 163.8 | -60.7 | -179.6 | 0 | 0 | 0 | 106.7 | L83 E87 | L83-I85 PolarHBondContact O-N 3.31Å; L83-I85 VanDerWaalsContact O-N 3.07Å; I85-E87 HydrophobicContact CG2-CB 4.37Å; I85-E87 PolarHBondContact O-N 3.39Å | ||
| 86 | E | 35.7 | Very low | 35.6 | Very low | 181 Ų | 181 | 156.2 Ų | 156.2 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -77.5 | 72.5 | 175.6 | -169 | 172.9 | -152.2 | 0 | 0 | 110 | Y84 A88 | Y84-E86 PolarHBondContact O-N 2.89Å; E86-A88 PolarHBondContact O-N 2.92Å; E86-A88 VanDerWaalsContact O-N 3.08Å | ||
| 87 | E | 31.8 | Very low | 35.4 | Very low | 176 Ų | 176 | 154.4 Ų | 154.4 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -77.8 | 92.8 | 177.1 | -170.3 | 161 | -132.1 | 0 | 0 | 110.7 | I85 M89 | I85-E87 HydrophobicContact CG2-CB 4.37Å; I85-E87 PolarHBondContact O-N 3.39Å; E87-M89 PolarHBondContact O-N 2.91Å | ||
| 88 | A | 40.5 | Very low | 35.2 | Very low | 101 Ų | 101 | 155.8 Ų | 155.8 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -75.8 | 103.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E86 | E86-A88 PolarHBondContact O-N 2.92Å; E86-A88 VanDerWaalsContact O-N 3.08Å | ||
| 89 | M | 31.3 | Very low | 35 | Very low | 180 Ų | 180 | 156.3 Ų | 156.3 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | -121 | 127.3 | 165.4 | -167.8 | 164.2 | 176.5 | 0 | 0 | 110.4 | E87 | E87-M89 PolarHBondContact O-N 2.91Š| ||
| 90 | Q | 34.9 | Very low | 35.3 | Very low | 182 Ų | 182 | 155.8 Ų | 155.8 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -80 | 156.5 | 178.7 | -84.8 | -167.8 | -8.6 | 0 | 0 | 112 | ||||
| 91 | P | 49.4 | Very low | 34.7 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | -79.7 | 158.8 | -170.5 | 33.6 | -37.3 | 0 | 0 | 0 | 113 | ||||
| 92 | D | 33 | Very low | 34.4 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -135.1 | 157 | 164.8 | -119.6 | -29.1 | 0 | 0 | 0 | 110.2 | ||||
| 93 | E | 33 | Very low | 35 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -94.6 | 141 | -159.6 | -55.6 | 172.7 | 109.1 | 0 | 0 | 115 | ||||
| 94 | A | 31.8 | Very low | 34.8 | Very low | 96 Ų | 96 | 152.8 Ų | 152.8 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | trans | -171.9 | 85.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 95 | L | 34.9 | Very low | 35.2 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 78% | 0.78 | 82% | 0.824 | S | S | * | * | trans | 34.1 | 132.9 | 135.7 | -62.7 | 174.7 | 0 | 0 | 0 | 124 | ||||
| 96 | H | 31.6 | Very low | 34.9 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 83% | 0.833 | 83% | 0.827 | S | S | * | * | trans | 65.6 | 131.4 | 151.9 | -56.9 | -52.5 | 0 | 0 | 0 | 119.6 | ||||
| 97 | G | 31.3 | Very low | 34.5 | Very low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | cis | 132.4 | 139.9 | -14.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 98 | E | 31.5 | Very low | 34.3 | Very low | 204 Ų | 204 | 143.7 Ų | 143.7 | 95% | 0.953 | 82% | 0.82 | S | S | * | * | trans | -159.9 | 168.8 | 154.9 | -121.4 | 171.7 | -167.5 | 0 | 0 | 110.5 | ||||
| 99 | E | 32.7 | Very low | 33.7 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -103.2 | -175.6 | -165.2 | -119.7 | -157.7 | 111.7 | 0 | 0 | 113.5 | ||||
| 100 | P | 45.6 | Very low | 33.7 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | trans | -109.4 | 165.9 | -133.7 | 40.8 | -30 | 0 | 0 | 0 | 115.8 | ||||
| 101 | G | 26 | Very low | 33.3 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -136.6 | 110 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 102 | N | 32.8 | Very low | 32.5 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -145.9 | 159.1 | 174.7 | -100.5 | -23.4 | 0 | 0 | 0 | 107.7 | ||||
| 103 | P | 46.7 | Very low | 32.3 | Very low | 106 Ų | 106 | 145 Ų | 145 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | cis | -123.3 | 177.8 | -25.8 | 39.9 | -27 | 0 | 0 | 0 | 111.1 | ||||
| 104 | E | 30.2 | Very low | 33 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -134.3 | 135 | 152.8 | -102 | -175 | 171.7 | 0 | 0 | 110.9 | ||||
| 105 | E | 37.5 | Very low | 33.5 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | -135.8 | 111.2 | -173.4 | 175 | -178.1 | -153.4 | 0 | 0 | 107.7 | ||||
| 106 | T | 31.1 | Very low | 33.2 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -135.2 | 108.5 | 167.4 | 44.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 107 | V | 27.7 | Very low | 33.1 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | 72.7 | 129.8 | 62 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 108 | S | 26.4 | Very low | 33 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -112 | 147.6 | -165.7 | -55 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 109 | V | 28.8 | Very low | 32.8 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | 74 | 155.2 | 143.9 | 166.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 110 | E | 30.1 | Very low | 32.6 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 66.9 | 104.2 | 170.9 | -86 | 178.1 | 147.1 | 0 | 0 | 119.1 | ||||
| 111 | E | 28.2 | Very low | 31.8 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -128.5 | 127.9 | 141.1 | -170.2 | 167.1 | -136.7 | 0 | 0 | 108.6 | ||||
| 112 | T | 32.7 | Very low | 32.2 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | trans | -107.7 | 128.8 | -176.3 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 113 | M | 28.9 | Very low | 32.1 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -140.7 | 143 | 165.1 | -81.2 | -155.2 | 163.4 | 0 | 0 | 113.2 | ||||
| 114 | E | 46.5 | Very low | 31.8 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -75.9 | 175.4 | 169.7 | -55.7 | 177.8 | 139.2 | 0 | 0 | 110.9 | ||||
| 115 | P | 42 | Very low | 31.8 | Very low | 133 Ų | 133 | 147 Ų | 147 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -125.5 | 141.4 | 132.4 | 35.6 | -30 | 0 | 0 | 0 | 112.6 | ||||
| 116 | D | 28.5 | Very low | 31.8 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | trans | -109 | 155.6 | -179.2 | -177 | 29 | 0 | 0 | 0 | 111.8 | ||||
| 117 | W | 29.3 | Very low | 32.3 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | 36.3 | 152.4 | 161.5 | 79.7 | -47.9 | 0 | 0 | 0 | 125 | ||||
| 118 | M | 29.1 | Very low | 32.3 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | trans | 80.2 | 148 | 170 | -61.1 | -164.8 | -71.8 | 0 | 0 | 117.6 | ||||
| 119 | Q | 29 | Very low | 32.7 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -143.5 | 144.2 | 10.4 | -150.6 | 168 | 21.4 | 0 | 0 | 113.2 | ||||
| 120 | F | 27.3 | Very low | 33 | Very low | 204 Ų | 204 | 148.1 Ų | 148.1 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -81.9 | 147.1 | 166.2 | -81.8 | -98.8 | 0 | 0 | 0 | 111.3 | ||||
| 121 | V | 29.6 | Very low | 33 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -137.3 | 134.5 | 161.9 | 177.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 122 | E | 33.4 | Very low | 33.5 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -133.3 | 139.1 | -170.2 | -176.9 | 178.6 | -168.3 | 0 | 0 | 113.1 | ||||
| 123 | G | 30.5 | Very low | 33.9 | Very low | 68 Ų | 68 | 143.8 Ų | 143.8 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 89.6 | 166.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 124 | P | 40.5 | Very low | 34.1 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | cis | -131 | 134.2 | 1.6 | 37.6 | -20.2 | 0 | 0 | 0 | 117 | ||||
| 125 | V | 31.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | 43.4 | 110.8 | 125.7 | 177.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 126 | E | 37.9 | Very low | 33 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 63 | 165 | 139.1 | -68.1 | -66.2 | 131.6 | 0 | 0 | 122 | ||||
| 127 | P | 40.8 | Very low | 33.2 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -126.2 | 164.7 | -14.5 | 34.7 | -18.6 | 0 | 0 | 0 | 115.4 | ||||
| 128 | G | 28 | Very low | 33.3 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -158.1 | 103.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 129 | K | 34.7 | Very low | 33.7 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | -72.8 | 134.8 | 174.1 | -83.2 | -175.7 | 172.4 | -178 | 0 | 112.2 | ||||
| 130 | P | 33.7 | Very low | 33.9 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -76.5 | 145.5 | 157.7 | 32.4 | -32.3 | 0 | 0 | 0 | 110.9 | ||||
| 131 | T | 31.7 | Very low | 34 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -104.2 | 132.7 | 175.8 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 132 | N | 37.7 | Very low | 34.3 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | -69.1 | 143.5 | 175.2 | -149.3 | 3.9 | 0 | 0 | 0 | 110.4 | ||||
| 133 | P | 41.6 | Very low | 34.3 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | -137.9 | 138.1 | 123 | 35.8 | -24.9 | 0 | 0 | 0 | 113.7 | |||||
| 134 | E | 33.8 | Very low | 34.5 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -70.6 | 131.8 | 164.6 | -58.7 | 161.8 | 111.6 | 0 | 0 | 110 | ||||
| 135 | Q | 30.2 | Very low | 34.3 | Very low | 189 Ų | 189 | 145.3 Ų | 145.3 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -163.7 | 87.7 | 151.4 | -116.1 | 170.2 | 16.2 | 0 | 0 | 111.7 | ||||
| 136 | V | 34.5 | Very low | 34.2 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -97.4 | 112.8 | 155.8 | 175.7 | 0 | 0 | 0 | 0 | 107 | H138 | V136-H138 PolarHBondContact O-N 3.05Š| ||
| 137 | V | 32.9 | Very low | 34 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -72.9 | 109.6 | 167.5 | 175.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 138 | H | 30.9 | Very low | 33.7 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -106.8 | 109.3 | 163.1 | -121.8 | -60.8 | 0 | 0 | 0 | 108.9 | V136 G140 | V136-H138 PolarHBondContact O-N 3.05Å; H138-G140 PolarHBondContact O-N 3.04Å | ||
| 139 | E | 36.6 | Very low | 34.1 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -70.3 | 108.1 | 177.3 | -150.7 | 163.5 | -158.2 | 0 | 0 | 108.2 | ||||
| 140 | G | 33.7 | Very low | 34.2 | Very low | 66 Ų | 66 | 147 Ų | 147 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | -115.5 | 117.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | H138 | H138-G140 PolarHBondContact O-N 3.04Š| ||
| 141 | D | 30.7 | Very low | 34.6 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -67.2 | 149.6 | -168.4 | -160.6 | 2.9 | 0 | 0 | 0 | 113.5 | ||||
| 142 | T | 34.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -86.3 | 119.9 | -166.9 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 143 | V | 33.7 | Very low | 34.7 | Very low | 143 Ų | 143 | 151.7 Ų | 151.7 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -126.1 | 124.3 | 160.5 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | R145 | V143-R145 PolarHBondContact O-N 2.69Š| ||
| 144 | T | 35.3 | Very low | 34.3 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -79.3 | 111.2 | -170.5 | 44.8 | 0 | 0 | 0 | 0 | 112.4 | A146 | T144-A146 PolarHBondContact O-N 3.02Š| ||
| 145 | R | 35.6 | Very low | 34.6 | Very low | 245 Ų | 245 | 150.3 Ų | 150.3 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -75.2 | 93.8 | 159.4 | -174.2 | 174.9 | -177.3 | 165.1 | 1.6 | 108.6 | V143 E147 | V143-R145 PolarHBondContact O-N 2.69Å; R145-E147 PolarHBondContact O-N 3.05Å | ||
| 146 | A | 30.8 | Very low | 34.9 | Very low | 79 Ų | 79 | 152.1 Ų | 152.1 | 65% | 0.653 | 81% | 0.81 | S | S | * | * | trans | -59.1 | 121.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T144 | T144-A146 PolarHBondContact O-N 3.02Š| ||
| 147 | E | 33.3 | Very low | 35.3 | Very low | 191 Ų | 191 | 151 Ų | 151 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -62.8 | 136 | 162.4 | -62.1 | 179.2 | 121.1 | 0 | 0 | 109.1 | R145 | R145-E147 PolarHBondContact O-N 3.05Š| ||
| 148 | K | 34.9 | Very low | 35.4 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -129.1 | 104 | 156.9 | -75.3 | -166.3 | 175.8 | -178.4 | 0 | 108.4 | ||||
| 149 | S | 34.6 | Very low | 36 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.8 | 168.9 | 31.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 150 | N | 38.3 | Very low | 36.1 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 130.3 | 159.7 | -71.2 | -21.8 | 0 | 0 | 0 | 107.8 | ||
| 151 | P | 42 | Very low | 36.4 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 151.4 | 168.5 | 31.4 | -33.4 | 0 | 0 | 0 | 110.7 | ||
| 152 | E | 38.4 | Very low | 37.1 | Very low | 186 Ų | 186 | 147.6 Ų | 147.6 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 145 | 171.3 | -56.8 | 168.3 | 114.7 | 0 | 0 | 110.2 | ||
| 153 | E | 32.4 | Very low | 37.3 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | -170.4 | 149.1 | 102.8 | -103.2 | -161.1 | 106.8 | 0 | 0 | 113.4 | |||||
| 154 | S | 33.9 | Very low | 38.1 | Very low | 94 Ų | 94 | 150.5 Ų | 150.5 | 66% | 0.657 | 81% | 0.812 | S | S | * | * | trans | 15.7 | 122.8 | 148.3 | -158.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 155 | L | 39.7 | Very low | 38.6 | Very low | 165 Ų | 165 | 152 Ų | 152 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | -159.1 | 166 | 96.2 | -101.8 | 171.2 | 0 | 0 | 0 | 112.2 | |||||
| 156 | R | 35.6 | Very low | 39.4 | Very low | 226 Ų | 226 | 147.3 Ų | 147.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -78.2 | 154.1 | -178.1 | -63.3 | -178.9 | 178.6 | -140.3 | -0.8 | 111.2 | E158 | R156-E158 PolarHBondContact O-N 3.3Å; R156-E158 VanDerWaalsContact O-N 3.12Å | ||
| 157 | A | 43.8 | Very low | 40.5 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -66.1 | 106.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 158 | E | 34.1 | Very low | 42.2 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -87 | 155 | 157.8 | -69.4 | -138.2 | 138.6 | 0 | 0 | 109.7 | R156 | R156-E158 PolarHBondContact O-N 3.3Å; R156-E158 VanDerWaalsContact O-N 3.12Å |
| 159 | P | 43.5 | Very low | 44 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 138 | -174.7 | 28.7 | -35 | 0 | 0 | 0 | 111.8 | P161 | P159-P161 WeakPolarHBondContact O-CD 3.29Š|
| 160 | S | 38.9 | Very low | 46.1 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 119.8 | -177.4 | -46.4 | 0 | 0 | 0 | 0 | 112.4 | S162 | S160-S162 PolarHBondContact O-N 3.4Š|
| 161 | P | 41.3 | Very low | 48 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | trans | -72.1 | 115.5 | 163.6 | 29.6 | -30.6 | 0 | 0 | 0 | 108.1 | P159 M163 | P159-P161 WeakPolarHBondContact O-CD 3.29Å; P161-M163 PolarHBondContact O-N 2.97Å | ||
| 162 | S | 44 | Very low | 49.9 | Very low | 125 Ų | 125 | 136 Ų | 136 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | trans | -73.2 | 73.3 | 165.9 | 59.2 | 0 | 0 | 0 | 0 | 109.5 | S160 | S160-S162 PolarHBondContact O-N 3.4Š| ||
| 163 | M | 39.2 | Very low | 52.1 | Low | 144 Ų | 144 | 132.9 Ų | 132.9 | 71% | 0.709 | 71% | 0.713 | S | S | * | * | trans | -95.9 | 125.4 | 160.1 | -71.3 | -154.2 | -167.3 | 0 | 0 | 108.8 | P161 E165 | P161-M163 PolarHBondContact O-N 2.97Å; M163-E165 HydrophobicContact CB-CG 4.05Å; M163-E165 PolarHBondContact O-N 3.44Å | ||
| 164 | E | 49.6 | Very low | 54.8 | Low | 183 Ų | 183 | 129.5 Ų | 129.5 | 86% | 0.855 | 70% | 0.701 | S | S | * | * | trans | -70.5 | 76.5 | 154.6 | -65.8 | 169.2 | 126.2 | 0 | 0 | 107 | N166 | E164-N166 PolarHBondContact O-N 3.03Å; E164-N166 PolarHBondContact O-ND2 2.9Å | ||
| 165 | E | 47.7 | Very low | 57.4 | Low | 163 Ų | 163 | 128.6 Ų | 128.6 | 76% | 0.762 | 69% | 0.688 | S | S | * | * | trans | -62.1 | 97 | 164.1 | -74.2 | -167.5 | 155.2 | 0 | 0 | 106.8 | M163 L167 | M163-E165 HydrophobicContact CB-CG 4.05Å; M163-E165 PolarHBondContact O-N 3.44Å; E165-L167 VanDerWaalsContact C-N 3.26Å; E165-L167 PolarHBondContact O-N 3.12Å | ||
| 166 | N | 51.7 | Low | 59.7 | Low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | trans | -68 | 93 | 173.6 | -76 | -110.9 | 0 | 0 | 0 | 105.9 | E164 S168 | E164-N166 PolarHBondContact O-N 3.03Å; E164-N166 PolarHBondContact O-ND2 2.9Å; N166-S168 PolarHBondContact O-N 3.41Å | ||
| 167 | L | 54.4 | Low | 62.4 | Low | 126 Ų | 126 | 117.7 Ų | 117.7 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | trans | -42.4 | 129.6 | 167.9 | -71.9 | 169.7 | 0 | 0 | 0 | 107.9 | E165 | E165-L167 VanDerWaalsContact C-N 3.26Å; E165-L167 PolarHBondContact O-N 3.12Å | ||
| 168 | S | 67.5 | Low | 64.7 | Low | 44 Ų | 44 | 120.1 Ų | 120.1 | 31% | 0.308 | 64% | 0.637 | S | S | . | * | trans | -62 | 152 | 177.4 | 73.2 | 0 | 0 | 0 | 0 | 109 | N166 E170 D171 L172 | N166-S168 PolarHBondContact O-N 3.41Å; S168-E170 WeakPolarHBondContact CB-OE2 3.44Å; S168-E170 PolarHBondContact O-N 3.16Å; S168-D171 WeakPolarHBondContact CB-OD2 3.39Å; S168-D171 PolarHBondContact N-OD2 2.95Å; S168-D171 PolarHBondContact O-N 3.02Å; S168-D171 PolarHBondContact OG-N 3.45Å; S168-D171 PolarHBondContact OG-OD2 3.37Å; S168-L172 PolarHBondContact O-N 3.49Å | ||
| 169 | I | 74.1 | Confident | 67.6 | Low | 124 Ų | 124 | 118 Ų | 118 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.6 | -36.3 | 179.1 | -67.2 | 171.4 | 0 | 0 | 0 | 108.3 | D171 L172 E173 | I169-D171 PolarHBondContact O-N 2.77Å; I169-L172 PolarHBondContact O-N 3.15Å; I169-E173 HydrophobicContact CG2-CG 4.37Å; I169-E173 WeakPolarHBondContact O-CB 3.4Å; I169-E173 WeakPolarHBondContact O-CG 3.2Å; I169-E173 PolarHBondContact O-N 2.91Å |
| 170 | E | 77.3 | Confident | 70.1 | Confident | 133 Ų | 133 | 118.5 Ų | 118.5 | 62% | 0.621 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -59.5 | -37.9 | 172.9 | -58.7 | 91.2 | 150.7 | 0 | 0 | 113.8 | S168 L174 | S168-E170 WeakPolarHBondContact CB-OE2 3.44Å; S168-E170 PolarHBondContact O-N 3.16Å; E170-L174 VanDerWaalsContact O-CB 3.26Å; E170-L174 WeakPolarHBondContact O-CB 3.25Å; E170-L174 PolarHBondContact O-N 3.18Å |
| 171 | D | 78.6 | Confident | 72.8 | Confident | 83 Ų | 83 | 119.1 Ų | 119.1 | 44% | 0.444 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.7 | -38.2 | 175.2 | -69.2 | -55.7 | 0 | 0 | 0 | 112 | S168 I169 L175 | S168-D171 WeakPolarHBondContact CB-OD2 3.39Å; S168-D171 PolarHBondContact N-OD2 2.95Å; S168-D171 PolarHBondContact O-N 3.02Å; S168-D171 PolarHBondContact OG-N 3.45Å; S168-D171 PolarHBondContact OG-OD2 3.37Å; I169-D171 PolarHBondContact O-N 2.77Å; D171-L175 WeakPolarHBondContact O-CB 3.49Å; D171-L175 PolarHBondContact O-N 3.08Å |
| 172 | L | 81.6 | Confident | 75.4 | Confident | 104 Ų | 104 | 117.7 Ų | 117.7 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.1 | -41.7 | 178.5 | -170.7 | 66.1 | 0 | 0 | 0 | 111.4 | S168 I169 L174 L175 E176 | S168-L172 PolarHBondContact O-N 3.49Å; I169-L172 PolarHBondContact O-N 3.15Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 2.93Å; L172-L175 PolarHBondContact O-N 2.9Å; L172-E176 WeakPolarHBondContact O-CB 3.19Å; L172-E176 PolarHBondContact O-N 3.37Å |
| 173 | E | 85.4 | Confident | 77.9 | Confident | 121 Ų | 121 | 116.3 Ų | 116.3 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.5 | -40.7 | 171.9 | -74.3 | 178.1 | -176.9 | 0 | 0 | 111.6 | I169 E176 G177 | I169-E173 HydrophobicContact CG2-CG 4.37Å; I169-E173 WeakPolarHBondContact O-CB 3.4Å; I169-E173 WeakPolarHBondContact O-CG 3.2Å; I169-E173 PolarHBondContact O-N 2.91Å; E173-E176 PolarHBondContact O-N 3.17Å; E173-G177 PolarHBondContact O-N 2.97Å |
| 174 | L | 89.1 | Confident | 80.6 | Confident | 114 Ų | 114 | 115.3 Ų | 115.3 | 60% | 0.597 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.8 | -38.3 | 174.6 | 179.4 | 61.8 | 0 | 0 | 0 | 112.1 | E170 L172 R178 | E170-L174 VanDerWaalsContact O-CB 3.26Å; E170-L174 WeakPolarHBondContact O-CB 3.25Å; E170-L174 PolarHBondContact O-N 3.18Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 2.93Å; L174-R178 WeakPolarHBondContact O-CG 3.43Å; L174-R178 PolarHBondContact O-N 3.01Å; L174-R178 VanDerWaalsContact O-N 3.13Å |
| 175 | L | 88.8 | Confident | 82.9 | Confident | 74 Ų | 74 | 108.7 Ų | 108.7 | 39% | 0.387 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70 | -42.5 | 176.6 | -178 | 59.8 | 0 | 0 | 0 | 111.9 | D171 L172 R178 F179 | D171-L175 WeakPolarHBondContact O-CB 3.49Å; D171-L175 PolarHBondContact O-N 3.08Å; L172-L175 PolarHBondContact O-N 2.9Å; L175-R178 PolarHBondContact O-N 3.03Å; L175-F179 HydrophobicContact CD1-CD2 4.09Å; L175-F179 HydrophobicContact CD1-CE2 3.68Å; L175-F179 HydrophobicContact CD1-CZ 4.33Å; L175-F179 HydrophobicContact CD2-CE2 4.08Å; L175-F179 HydrophobicContact CG-CD2 3.92Å; L175-F179 HydrophobicContact CG-CE2 3.62Å; L175-F179 VanDerWaalsContact O-CD2 3.31Å; L175-F179 WeakPolarHBondContact O-CD2 3.35Å; L175-F179 PolarHBondContact O-N 3.44Å |
| 176 | E | 87.4 | Confident | 85.2 | Confident | 131 Ų | 131 | 104.9 Ų | 104.9 | 61% | 0.612 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.6 | -47 | 173.1 | -176.6 | 174.3 | -166.5 | 0 | 0 | 110.9 | L172 E173 R178 F179 Q180 | L172-E176 WeakPolarHBondContact O-CB 3.19Å; L172-E176 PolarHBondContact O-N 3.37Å; E173-E176 PolarHBondContact O-N 3.17Å; E176-R178 VanDerWaalsContact C-N 3.25Å; E176-R178 PolarHBondContact O-N 3.11Å; E176-F179 PolarHBondContact O-N 3.38Å; E176-F179 VanDerWaalsContact O-N 3.09Å; E176-Q180 WeakPolarHBondContact O-CB 3.38Å; E176-Q180 PolarHBondContact O-N 3.32Å |
| 177 | G | 91.9 | Very high | 87.4 | Confident | 31 Ų | 31 | 99.9 Ų | 99.9 | 32% | 0.32 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58 | -35.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E173 Q181 | E173-G177 PolarHBondContact O-N 2.97Å; G177-Q181 VanDerWaalsContact O-CG 3.25Å; G177-Q181 WeakPolarHBondContact O-CG 3.37Å; G177-Q181 PolarHBondContact O-N 3.18Å |
| 178 | R | 92.8 | Very high | 89.4 | Confident | 159 Ų | 159 | 98.8 Ų | 98.8 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.5 | -38.8 | 173.5 | -72.6 | 178.6 | 68 | -160 | -1.5 | 112.8 | L174 L175 E176 Q180 Q181 C182 | L174-R178 WeakPolarHBondContact O-CG 3.43Å; L174-R178 PolarHBondContact O-N 3.01Å; L174-R178 VanDerWaalsContact O-N 3.13Å; L175-R178 PolarHBondContact O-N 3.03Å; E176-R178 VanDerWaalsContact C-N 3.25Å; E176-R178 PolarHBondContact O-N 3.11Å; R178-Q180 VanDerWaalsContact C-N 3.34Å; R178-Q181 PolarHBondContact O-N 2.93Å; R178-C182 PolarHBondContact O-N 2.98Å; R178-C182 PolarHBondContact O-SG 2.88Å; R178-C182 VanDerWaalsContact O-SG 3.35Å |
| 179 | F | 94.6 | Very high | 90.8 | Very high | 132 Ų | 132 | 101.9 Ų | 101.9 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 172.7 | -80.8 | -59.9 | 0 | 0 | 0 | 111.6 | L175 E176 Q181 C182 V183 | L175-F179 HydrophobicContact CD1-CD2 4.09Å; L175-F179 HydrophobicContact CD1-CE2 3.68Å; L175-F179 HydrophobicContact CD1-CZ 4.33Å; L175-F179 HydrophobicContact CD2-CE2 4.08Å; L175-F179 HydrophobicContact CG-CD2 3.92Å; L175-F179 HydrophobicContact CG-CE2 3.62Å; L175-F179 VanDerWaalsContact O-CD2 3.31Å; L175-F179 WeakPolarHBondContact O-CD2 3.35Å; L175-F179 PolarHBondContact O-N 3.44Å; E176-F179 PolarHBondContact O-N 3.38Å; E176-F179 VanDerWaalsContact O-N 3.09Å; F179-Q181 VanDerWaalsContact C-N 3.32Å; F179-Q181 PolarHBondContact O-N 3.06Å; F179-C182 WeakPolarHBondContact O-CB 3.38Å; F179-C182 PolarHBondContact O-N 2.84Å; F179-C182 VanDerWaalsContact O-N 3.15Å; F179-V183 WeakPolarHBondContact O-CG2 3.46Å; F179-V183 PolarHBondContact O-N 2.97Å |
| 180 | Q | 95.9 | Very high | 92 | Very high | 127 Ų | 127 | 100.3 Ų | 100.3 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.4 | -42 | 176 | -162.6 | 71.7 | -0.5 | 0 | 0 | 111.8 | E176 R178 V183 Q184 | E176-Q180 WeakPolarHBondContact O-CB 3.38Å; E176-Q180 PolarHBondContact O-N 3.32Å; R178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-V183 PolarHBondContact O-N 3.32Å; Q180-Q184 WeakPolarHBondContact O-CB 3.49Å; Q180-Q184 PolarHBondContact O-N 3.14Å |
| 181 | Q | 95.6 | Very high | 92.9 | Very high | 129 Ų | 129 | 100 Ų | 100 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 173.7 | -71.1 | 163.1 | 18.4 | 0 | 0 | 112.2 | G177 R178 F179 Q184 A185 | G177-Q181 VanDerWaalsContact O-CG 3.25Å; G177-Q181 WeakPolarHBondContact O-CG 3.37Å; G177-Q181 PolarHBondContact O-N 3.18Å; R178-Q181 PolarHBondContact O-N 2.93Å; F179-Q181 VanDerWaalsContact C-N 3.32Å; F179-Q181 PolarHBondContact O-N 3.06Å; Q181-Q184 PolarHBondContact O-N 3.38Å; Q181-A185 WeakPolarHBondContact O-CB 3.35Å; Q181-A185 PolarHBondContact O-N 3.45Å |
| 182 | C | 96.3 | Very high | 93.8 | Very high | 79 Ų | 79 | 101.2 Ų | 101.2 | 53% | 0.534 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 175.8 | -70.5 | 0 | 0 | 0 | 0 | 112.3 | R178 F179 A185 V186 | R178-C182 PolarHBondContact O-N 2.98Å; R178-C182 PolarHBondContact O-SG 2.88Å; R178-C182 VanDerWaalsContact O-SG 3.35Å; F179-C182 WeakPolarHBondContact O-CB 3.38Å; F179-C182 PolarHBondContact O-N 2.84Å; F179-C182 VanDerWaalsContact O-N 3.15Å; C182-A185 PolarHBondContact O-N 3.07Å; C182-V186 WeakPolarHBondContact O-CG2 3.5Å; C182-V186 PolarHBondContact O-N 3Å |
| 183 | V | 95.9 | Very high | 94.6 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | 176.1 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | F179 Q180 V186 A187 | F179-V183 WeakPolarHBondContact O-CG2 3.46Å; F179-V183 PolarHBondContact O-N 2.97Å; Q180-V183 PolarHBondContact O-N 3.32Å; V183-V186 PolarHBondContact O-N 2.85Å; V183-A187 PolarHBondContact O-N 3.12Å |
| 184 | Q | 96.7 | Very high | 95.2 | Very high | 123 Ų | 123 | 99.3 Ų | 99.3 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.5 | -39.2 | 178.2 | -169.8 | 170.8 | 15.3 | 0 | 0 | 112.6 | Q180 Q181 A187 Q188 | Q180-Q184 WeakPolarHBondContact O-CB 3.49Å; Q180-Q184 PolarHBondContact O-N 3.14Å; Q181-Q184 PolarHBondContact O-N 3.38Å; Q184-A187 PolarHBondContact O-N 3.09Å; Q184-Q188 WeakPolarHBondContact O-CG 3.32Å; Q184-Q188 PolarHBondContact O-N 3.33Å; Q184-Q188 VanDerWaalsContact O-N 3.08Å |
| 185 | A | 96.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 99.3 Ų | 99.3 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q181 C182 Q188 L189 | Q181-A185 WeakPolarHBondContact O-CB 3.35Å; Q181-A185 PolarHBondContact O-N 3.45Å; C182-A185 PolarHBondContact O-N 3.07Å; A185-Q188 PolarHBondContact O-N 3.07Å; A185-L189 WeakPolarHBondContact O-CG 3.49Å; A185-L189 PolarHBondContact O-N 3.33Å; A185-L189 VanDerWaalsContact O-N 3.09Å |
| 186 | V | 97.5 | Very high | 96 | Very high | 82 Ų | 82 | 101 Ų | 101 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 172.4 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | C182 V183 Q188 L189 E190 | C182-V186 WeakPolarHBondContact O-CG2 3.5Å; C182-V186 PolarHBondContact O-N 3Å; V183-V186 PolarHBondContact O-N 2.85Å; V186-Q188 VanDerWaalsContact C-N 3.28Å; V186-Q188 PolarHBondContact O-N 3.44Å; V186-L189 CarbonylContact O-C 3.57Å; V186-L189 WeakPolarHBondContact O-CB 3.19Å; V186-L189 PolarHBondContact O-N 3.47Å; V186-E190 HydrophobicContact CG1-CG 4.31Å; V186-E190 WeakPolarHBondContact O-CG 3.42Å; V186-E190 PolarHBondContact O-N 2.91Å |
| 187 | A | 96.4 | Very high | 96.5 | Very high | 41 Ų | 41 | 99 Ų | 99 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.6 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V183 Q184 E190 E191 | V183-A187 PolarHBondContact O-N 3.12Å; Q184-A187 PolarHBondContact O-N 3.09Å; A187-E190 PolarHBondContact O-N 3.06Å; A187-E191 PolarHBondContact O-N 3.3Å |
| 188 | Q | 97.4 | Very high | 96.7 | Very high | 103 Ų | 103 | 103 Ų | 103 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 173.6 | -73.4 | 172 | -20.8 | 0 | 0 | 112.4 | Q184 A185 V186 E190 E191 E192 | Q184-Q188 WeakPolarHBondContact O-CG 3.32Å; Q184-Q188 PolarHBondContact O-N 3.33Å; Q184-Q188 VanDerWaalsContact O-N 3.08Å; A185-Q188 PolarHBondContact O-N 3.07Å; V186-Q188 VanDerWaalsContact C-N 3.28Å; V186-Q188 PolarHBondContact O-N 3.44Å; Q188-E190 VanDerWaalsContact C-N 3.28Å; Q188-E190 PolarHBondContact O-N 3.3Å; Q188-E191 PolarHBondContact O-N 3.12Å; Q188-E192 WeakPolarHBondContact O-CG 3.47Å; Q188-E192 PolarHBondContact O-N 3.27Å |
| 189 | L | 97.7 | Very high | 96.9 | Very high | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.1 | -27.2 | 174.9 | -69.9 | 167.9 | 0 | 0 | 0 | 112.9 | A185 V186 R193 | A185-L189 WeakPolarHBondContact O-CG 3.49Å; A185-L189 PolarHBondContact O-N 3.33Å; A185-L189 VanDerWaalsContact O-N 3.09Å; V186-L189 CarbonylContact O-C 3.57Å; V186-L189 WeakPolarHBondContact O-CB 3.19Å; V186-L189 PolarHBondContact O-N 3.47Å; L189-R193 WeakPolarHBondContact O-CB 3.47Å; L189-R193 PolarHBondContact O-N 3.3Å |
| 190 | E | 97.2 | Very high | 97 | Very high | 90 Ų | 90 | 98.3 Ų | 98.3 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.1 | -41.6 | 171.5 | -65.3 | -156.3 | 101.2 | 0 | 0 | 111.9 | V186 A187 Q188 R193 D194 | V186-E190 HydrophobicContact CG1-CG 4.31Å; V186-E190 WeakPolarHBondContact O-CG 3.42Å; V186-E190 PolarHBondContact O-N 2.91Å; A187-E190 PolarHBondContact O-N 3.06Å; Q188-E190 VanDerWaalsContact C-N 3.28Å; Q188-E190 PolarHBondContact O-N 3.3Å; E190-R193 WeakPolarHBondContact O-CB 3.48Å; E190-R193 PolarHBondContact O-N 2.94Å; E190-R193 IonicContact OE1-CZ 3.24Å; E190-R193 IonicContact OE1-NH1 2.77Å; E190-R193 PolarHBondContact OE1-NH1 3.39Å; E190-R193 IonicContact OE1-NH2 2.68Å; E190-D194 VanDerWaalsContact O-CG 3.28Å; E190-D194 PolarHBondContact O-N 3.12Å |
| 191 | E | 97.5 | Very high | 97.1 | Very high | 128 Ų | 128 | 95.8 Ų | 95.8 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 172.3 | -71.9 | 179.3 | -174.2 | 0 | 0 | 111.9 | A187 Q188 D194 Q195 | A187-E191 PolarHBondContact O-N 3.3Å; Q188-E191 PolarHBondContact O-N 3.12Å; E191-D194 PolarHBondContact O-N 3.49Å; E191-Q195 VanDerWaalsContact C-NE2 3.34Å; E191-Q195 WeakPolarHBondContact O-CB 3.2Å; E191-Q195 VanDerWaalsContact O-CG 3.27Å; E191-Q195 WeakPolarHBondContact O-CG 3.28Å; E191-Q195 PolarHBondContact O-N 2.95Å; E191-Q195 PolarHBondContact O-NE2 3Å |
| 192 | E | 97.6 | Very high | 97.1 | Very high | 108 Ų | 108 | 94.6 Ų | 94.6 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 175 | -74.4 | 179.8 | -178.7 | 0 | 0 | 111.8 | Q188 D194 Q195 L196 | Q188-E192 WeakPolarHBondContact O-CG 3.47Å; Q188-E192 PolarHBondContact O-N 3.27Å; E192-D194 VanDerWaalsContact C-N 3.34Å; E192-D194 PolarHBondContact O-N 2.92Å; E192-Q195 PolarHBondContact O-N 2.81Å; E192-L196 WeakPolarHBondContact O-CB 3.35Å; E192-L196 VanDerWaalsContact O-CG 3.29Å; E192-L196 WeakPolarHBondContact O-CG 3.43Å; E192-L196 PolarHBondContact O-N 3.03Å |
| 193 | R | 97.6 | Very high | 97.1 | Very high | 103 Ų | 103 | 97.5 Ų | 97.5 | 39% | 0.389 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.8 | -48.4 | 173 | 172.8 | -157.5 | 69.5 | -147.3 | -6.2 | 111.1 | L189 E190 L196 I197 | L189-R193 WeakPolarHBondContact O-CB 3.47Å; L189-R193 PolarHBondContact O-N 3.3Å; E190-R193 WeakPolarHBondContact O-CB 3.48Å; E190-R193 PolarHBondContact O-N 2.94Å; E190-R193 IonicContact OE1-CZ 3.24Å; E190-R193 IonicContact OE1-NH1 2.77Å; E190-R193 PolarHBondContact OE1-NH1 3.39Å; E190-R193 IonicContact OE1-NH2 2.68Å; R193-L196 PolarHBondContact O-N 3.48Å; R193-I197 HydrophobicContact CG-CD1 3.82Å; R193-I197 VanDerWaalsContact O-CG1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.49Å; R193-I197 PolarHBondContact O-N 3.47Å |
| 194 | D | 98.1 | Very high | 97.1 | Very high | 81 Ų | 81 | 100.9 Ų | 100.9 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.8 | -31.8 | -174.4 | -68 | -17.5 | 0 | 0 | 0 | 112.1 | E190 E191 E192 H198 | E190-D194 VanDerWaalsContact O-CG 3.28Å; E190-D194 PolarHBondContact O-N 3.12Å; E191-D194 PolarHBondContact O-N 3.49Å; E192-D194 VanDerWaalsContact C-N 3.34Å; E192-D194 PolarHBondContact O-N 2.92Å; D194-H198 WeakPolarHBondContact O-CB 3.46Å; D194-H198 PolarHBondContact O-N 2.85Å |
| 195 | Q | 97.7 | Very high | 97.1 | Very high | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 166.9 | -73.8 | 165.1 | 70.4 | 0 | 0 | 111.5 | E191 E192 I197 H198 E199 | E191-Q195 VanDerWaalsContact C-NE2 3.34Å; E191-Q195 WeakPolarHBondContact O-CB 3.2Å; E191-Q195 VanDerWaalsContact O-CG 3.27Å; E191-Q195 WeakPolarHBondContact O-CG 3.28Å; E191-Q195 PolarHBondContact O-N 2.95Å; E191-Q195 PolarHBondContact O-NE2 3Å; E192-Q195 PolarHBondContact O-N 2.81Å; Q195-I197 VanDerWaalsContact C-N 3.33Å; Q195-I197 PolarHBondContact O-N 3.32Å; Q195-H198 WeakPolarHBondContact O-CB 3.31Å; Q195-H198 PolarHBondContact O-N 2.87Å; Q195-H198 VanDerWaalsContact O-N 3.09Å; Q195-E199 PolarHBondContact O-N 3.28Å |
| 196 | L | 97.6 | Very high | 97.1 | Very high | 110 Ų | 110 | 100 Ų | 100 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.6 | -35.4 | 178.6 | -72.6 | 168.9 | 0 | 0 | 0 | 112.8 | E192 R193 L200 | E192-L196 WeakPolarHBondContact O-CB 3.35Å; E192-L196 VanDerWaalsContact O-CG 3.29Å; E192-L196 WeakPolarHBondContact O-CG 3.43Å; E192-L196 PolarHBondContact O-N 3.03Å; R193-L196 PolarHBondContact O-N 3.48Å; L196-L200 WeakPolarHBondContact O-CB 3.42Å; L196-L200 PolarHBondContact O-N 3.35Å |
| 197 | I | 96.9 | Very high | 96.9 | Very high | 89 Ų | 89 | 98.6 Ų | 98.6 | 46% | 0.456 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 171.7 | -72.6 | 168 | 0 | 0 | 0 | 110.3 | R193 Q195 L200 V201 | R193-I197 HydrophobicContact CG-CD1 3.82Å; R193-I197 VanDerWaalsContact O-CG1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.49Å; R193-I197 PolarHBondContact O-N 3.47Å; Q195-I197 VanDerWaalsContact C-N 3.33Å; Q195-I197 PolarHBondContact O-N 3.32Å; I197-L200 PolarHBondContact O-N 2.77Å; I197-V201 WeakPolarHBondContact O-CG2 3.46Å; I197-V201 PolarHBondContact O-N 3.07Å |
| 198 | H | 97.4 | Very high | 96.9 | Very high | 114 Ų | 114 | 100.8 Ų | 100.8 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 179.1 | -172.4 | 59.5 | 0 | 0 | 0 | 112.2 | D194 Q195 L200 V201 L202 | D194-H198 WeakPolarHBondContact O-CB 3.46Å; D194-H198 PolarHBondContact O-N 2.85Å; Q195-H198 WeakPolarHBondContact O-CB 3.31Å; Q195-H198 PolarHBondContact O-N 2.87Å; Q195-H198 VanDerWaalsContact O-N 3.09Å; H198-L200 PolarHBondContact O-N 3.41Å; H198-V201 PolarHBondContact O-N 2.86Å; H198-L202 WeakPolarHBondContact O-CG 3.49Å; H198-L202 PolarHBondContact O-N 2.97Å |
| 199 | E | 97 | Very high | 96.9 | Very high | 116 Ų | 116 | 100.9 Ų | 100.9 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.7 | -69.9 | -173.4 | 166.9 | 0 | 0 | 111.9 | Q195 V201 L202 L203 | Q195-E199 PolarHBondContact O-N 3.28Å; E199-V201 VanDerWaalsContact C-N 3.3Å; E199-V201 PolarHBondContact O-N 3.37Å; E199-L202 PolarHBondContact O-N 3.08Å; E199-L203 WeakPolarHBondContact O-CB 3.34Å; E199-L203 VanDerWaalsContact O-CG 3.3Å; E199-L203 WeakPolarHBondContact O-CG 3.42Å; E199-L203 PolarHBondContact O-N 2.97Å |
| 200 | L | 96.9 | Very high | 96.9 | Very high | 77 Ų | 77 | 102.1 Ų | 102.1 | 40% | 0.403 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -32.3 | 177.8 | 177.2 | 146 | 0 | 0 | 0 | 112.8 | L196 I197 H198 R204 | L196-L200 WeakPolarHBondContact O-CB 3.42Å; L196-L200 PolarHBondContact O-N 3.35Å; I197-L200 PolarHBondContact O-N 2.77Å; H198-L200 PolarHBondContact O-N 3.41Å; L200-R204 WeakPolarHBondContact O-CB 2.99Å; L200-R204 WeakPolarHBondContact O-CD 3.31Å; L200-R204 WeakPolarHBondContact O-CG 3.29Å; L200-R204 PolarHBondContact O-N 3.36Å |
| 201 | V | 96.9 | Very high | 96.9 | Very high | 73 Ų | 73 | 102.6 Ų | 102.6 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.2 | -49 | 171.3 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | I197 H198 E199 L203 R204 E205 | I197-V201 WeakPolarHBondContact O-CG2 3.46Å; I197-V201 PolarHBondContact O-N 3.07Å; H198-V201 PolarHBondContact O-N 2.86Å; E199-V201 VanDerWaalsContact C-N 3.3Å; E199-V201 PolarHBondContact O-N 3.37Å; V201-L203 PolarHBondContact O-N 3.18Å; V201-R204 PolarHBondContact O-N 3.32Å; V201-E205 WeakPolarHBondContact O-CB 3.42Å; V201-E205 PolarHBondContact O-N 2.92Å |
| 202 | L | 96.5 | Very high | 96.9 | Very high | 104 Ų | 104 | 101.3 Ų | 101.3 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -33.3 | 178.4 | -71.4 | 176.2 | 0 | 0 | 0 | 113.2 | H198 E199 P206 | H198-L202 WeakPolarHBondContact O-CG 3.49Å; H198-L202 PolarHBondContact O-N 2.97Å; E199-L202 PolarHBondContact O-N 3.08Å; L202-P206 WeakPolarHBondContact O-CD 3.46Å |
| 203 | L | 95.7 | Very high | 97 | Very high | 141 Ų | 141 | 100.6 Ų | 100.6 | 74% | 0.738 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -79.3 | -23 | 176.4 | -69.8 | 170.8 | 0 | 0 | 0 | 113.8 | E199 V201 | E199-L203 WeakPolarHBondContact O-CB 3.34Å; E199-L203 VanDerWaalsContact O-CG 3.3Å; E199-L203 WeakPolarHBondContact O-CG 3.42Å; E199-L203 PolarHBondContact O-N 2.97Å; V201-L203 PolarHBondContact O-N 3.18Å |
| 204 | R | 96.3 | Very high | 97 | Very high | 166 Ų | 166 | 99.5 Ų | 99.5 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -93.4 | -32.3 | -179.3 | -75.9 | 176.6 | 178.3 | -163.7 | 0.3 | 113.7 | L200 V201 A207 L208 | L200-R204 WeakPolarHBondContact O-CB 2.99Å; L200-R204 WeakPolarHBondContact O-CD 3.31Å; L200-R204 WeakPolarHBondContact O-CG 3.29Å; L200-R204 PolarHBondContact O-N 3.36Å; V201-R204 PolarHBondContact O-N 3.32Å; R204-A207 PolarHBondContact O-N 3.04Å; R204-L208 PolarHBondContact O-N 3.1Å |
| 205 | E | 96.6 | Very high | 97 | Very high | 83 Ų | 83 | 101 Ų | 101 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.1 | -44.1 | -176.2 | -174.1 | 61.3 | -152 | 0 | 0 | 113.2 | V201 A207 L208 Q209 | V201-E205 WeakPolarHBondContact O-CB 3.42Å; V201-E205 PolarHBondContact O-N 2.92Å; E205-A207 PolarHBondContact O-N 3.3Å; E205-L208 PolarHBondContact O-N 2.98Å; E205-Q209 WeakPolarHBondContact O-CG 3.41Å; E205-Q209 PolarHBondContact O-N 3.24Å; E205-Q209 PolarHBondContact OE1-NE2 3.17Å |
| 206 | P | 95.9 | Very high | 97.1 | Very high | 65 Ų | 65 | 100.8 Ų | 100.8 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 177.6 | -21.6 | 34.1 | 0 | 0 | 0 | 112.8 | L202 L208 Q209 E210 | L202-P206 WeakPolarHBondContact O-CD 3.46Å; P206-L208 VanDerWaalsContact C-N 3.3Å; P206-L208 PolarHBondContact O-N 3.39Å; P206-Q209 PolarHBondContact O-N 3.45Å; P206-E210 WeakPolarHBondContact O-CG 3.5Å; P206-E210 PolarHBondContact O-N 3.13Å |
| 207 | A | 95 | Very high | 97.1 | Very high | 53 Ų | 53 | 99.5 Ų | 99.5 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -34.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R204 E205 V211 | R204-A207 PolarHBondContact O-N 3.04Å; E205-A207 PolarHBondContact O-N 3.3Å; A207-V211 WeakPolarHBondContact O-CB 3.26Å; A207-V211 VanDerWaalsContact O-CG2 3.28Å; A207-V211 WeakPolarHBondContact O-CG2 3.4Å; A207-V211 PolarHBondContact O-N 3.12Å |
| 208 | L | 96.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 99.2 Ų | 99.2 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 173.4 | -178 | 61.5 | 0 | 0 | 0 | 111.6 | R204 E205 P206 V211 Q212 | R204-L208 PolarHBondContact O-N 3.1Å; E205-L208 PolarHBondContact O-N 2.98Å; P206-L208 VanDerWaalsContact C-N 3.3Å; P206-L208 PolarHBondContact O-N 3.39Å; L208-V211 PolarHBondContact O-N 2.92Å; L208-Q212 VanDerWaalsContact O-CG 3.31Å; L208-Q212 WeakPolarHBondContact O-CG 3.46Å; L208-Q212 PolarHBondContact O-N 3.5Å |
| 209 | Q | 97.2 | Very high | 97.2 | Very high | 105 Ų | 105 | 97.5 Ų | 97.5 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 176.9 | -69.5 | 175.2 | 12 | 0 | 0 | 112 | E205 P206 Q212 Q213 | E205-Q209 WeakPolarHBondContact O-CG 3.41Å; E205-Q209 PolarHBondContact O-N 3.24Å; E205-Q209 PolarHBondContact OE1-NE2 3.17Å; P206-Q209 PolarHBondContact O-N 3.45Å; Q209-Q212 PolarHBondContact O-N 2.97Å; Q209-Q213 PolarHBondContact O-N 3.41Å |
| 210 | E | 97.2 | Very high | 97.3 | Very high | 136 Ų | 136 | 94.1 Ų | 94.1 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60 | -45.8 | 173.3 | -74.5 | 177.1 | -173.3 | 0 | 0 | 111.7 | P206 Q212 Q213 V214 | P206-E210 WeakPolarHBondContact O-CG 3.5Å; P206-E210 PolarHBondContact O-N 3.13Å; E210-Q212 VanDerWaalsContact C-N 3.34Å; E210-Q212 PolarHBondContact O-N 3.25Å; E210-Q213 PolarHBondContact O-N 3.48Å; E210-V214 WeakPolarHBondContact O-CB 3.26Å; E210-V214 WeakPolarHBondContact O-CG2 3.44Å; E210-V214 PolarHBondContact O-N 3.09Å |
| 211 | V | 97.8 | Very high | 97.3 | Very high | 99 Ų | 99 | 93.1 Ų | 93.1 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 175.8 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | A207 L208 H215 | A207-V211 WeakPolarHBondContact O-CB 3.26Å; A207-V211 VanDerWaalsContact O-CG2 3.28Å; A207-V211 WeakPolarHBondContact O-CG2 3.4Å; A207-V211 PolarHBondContact O-N 3.12Å; L208-V211 PolarHBondContact O-N 2.92Å; V211-H215 VanDerWaalsContact O-CB 3.31Å; V211-H215 WeakPolarHBondContact O-CB 3.38Å; V211-H215 PolarHBondContact O-N 2.91Å |
| 212 | Q | 97.6 | Very high | 97.4 | Very high | 101 Ų | 101 | 97.2 Ų | 97.2 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 175.8 | -74.2 | 177.4 | 26.4 | 0 | 0 | 112.8 | L208 Q209 E210 Q216 | L208-Q212 VanDerWaalsContact O-CG 3.31Å; L208-Q212 WeakPolarHBondContact O-CG 3.46Å; L208-Q212 PolarHBondContact O-N 3.5Å; Q209-Q212 PolarHBondContact O-N 2.97Å; E210-Q212 VanDerWaalsContact C-N 3.34Å; E210-Q212 PolarHBondContact O-N 3.25Å; Q212-Q216 WeakPolarHBondContact O-CG 3.33Å; Q212-Q216 PolarHBondContact O-N 3.1Å; Q212-Q216 PolarHBondContact O-NE2 2.83Å |
| 213 | Q | 98.2 | Very high | 97.5 | Very high | 94 Ų | 94 | 98.9 Ų | 98.9 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.4 | -50.7 | 176.1 | -176.7 | 57.8 | 51.7 | 0 | 0 | 110.8 | Q209 E210 H215 Q216 D217 | Q209-Q213 PolarHBondContact O-N 3.41Å; E210-Q213 PolarHBondContact O-N 3.48Å; Q213-H215 PolarHBondContact O-N 2.89Å; Q213-Q216 WeakPolarHBondContact O-CA 3.12Å; Q213-Q216 WeakPolarHBondContact O-CB 3.5Å; Q213-Q216 PolarHBondContact O-N 3.46Å; Q213-D217 PolarHBondContact NE2-OD1 3.07Å; Q213-D217 PolarHBondContact NE2-OD2 3.22Å; Q213-D217 VanDerWaalsContact O-CG 3.31Å; Q213-D217 PolarHBondContact O-N 2.97Å |
| 214 | V | 98.3 | Very high | 97.6 | Very high | 80 Ų | 80 | 97.6 Ų | 97.6 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.5 | -37.2 | 177.4 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | E210 D217 I218 | E210-V214 WeakPolarHBondContact O-CB 3.26Å; E210-V214 WeakPolarHBondContact O-CG2 3.44Å; E210-V214 PolarHBondContact O-N 3.09Å; V214-D217 PolarHBondContact O-N 3.06Å; V214-I218 HydrophobicContact CG1-CD1 3.75Å; V214-I218 HydrophobicContact CG1-CG1 4.37Å; V214-I218 WeakPolarHBondContact O-CB 3.39Å; V214-I218 WeakPolarHBondContact O-CD1 3.29Å; V214-I218 WeakPolarHBondContact O-CG1 3.48Å; V214-I218 PolarHBondContact O-N 2.81Å |
| 215 | H | 98.3 | Very high | 97.7 | Very high | 113 Ų | 113 | 94.7 Ų | 94.7 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 173.9 | -175 | 66 | 0 | 0 | 0 | 112.8 | V211 Q213 L219 | V211-H215 VanDerWaalsContact O-CB 3.31Å; V211-H215 WeakPolarHBondContact O-CB 3.38Å; V211-H215 PolarHBondContact O-N 2.91Å; Q213-H215 PolarHBondContact O-N 2.89Å; H215-L219 WeakPolarHBondContact O-CG 3.5Å; H215-L219 PolarHBondContact O-N 3.11Å |
| 216 | Q | 98.4 | Very high | 97.8 | Very high | 110 Ų | 110 | 93 Ų | 93 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 174.7 | -72.5 | 168.7 | 78.8 | 0 | 0 | 112 | Q212 Q213 L219 A220 | Q212-Q216 WeakPolarHBondContact O-CG 3.33Å; Q212-Q216 PolarHBondContact O-N 3.1Å; Q212-Q216 PolarHBondContact O-NE2 2.83Å; Q213-Q216 WeakPolarHBondContact O-CA 3.12Å; Q213-Q216 WeakPolarHBondContact O-CB 3.5Å; Q213-Q216 PolarHBondContact O-N 3.46Å; Q216-L219 PolarHBondContact O-N 2.97Å; Q216-A220 PolarHBondContact O-N 3.5Å |
| 217 | D | 98.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 95.1 Ų | 95.1 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.9 | -63.6 | -29.3 | 0 | 0 | 0 | 111.4 | Q213 V214 A220 A221 | Q213-D217 PolarHBondContact NE2-OD1 3.07Å; Q213-D217 PolarHBondContact NE2-OD2 3.22Å; Q213-D217 VanDerWaalsContact O-CG 3.31Å; Q213-D217 PolarHBondContact O-N 2.97Å; V214-D217 PolarHBondContact O-N 3.06Å; D217-A220 PolarHBondContact O-N 2.89Å; D217-A221 WeakPolarHBondContact O-CB 3.05Å; D217-A221 PolarHBondContact O-N 3.25Å |
| 218 | I | 98.3 | Very high | 98.1 | Very high | 82 Ų | 82 | 95 Ų | 95 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 171.9 | -73.6 | 167.3 | 0 | 0 | 0 | 111 | V214 A220 A221 Y222 | V214-I218 HydrophobicContact CG1-CD1 3.75Å; V214-I218 HydrophobicContact CG1-CG1 4.37Å; V214-I218 WeakPolarHBondContact O-CB 3.39Å; V214-I218 WeakPolarHBondContact O-CD1 3.29Å; V214-I218 WeakPolarHBondContact O-CG1 3.48Å; V214-I218 PolarHBondContact O-N 2.81Å; I218-A220 VanDerWaalsContact C-N 3.29Å; I218-A220 PolarHBondContact O-N 2.93Å; I218-A221 PolarHBondContact O-N 3.27Å; I218-Y222 HydrophobicContact CG2-CD2 3.63Å; I218-Y222 HydrophobicContact CG2-CE2 3.52Å; I218-Y222 VanDerWaalsContact O-CD2 3.28Å; I218-Y222 WeakPolarHBondContact O-CD2 3.41Å; I218-Y222 PolarHBondContact O-N 3.01Å |
| 219 | L | 98.6 | Very high | 98.1 | Very high | 78 Ų | 78 | 94.2 Ų | 94.2 | 41% | 0.408 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -30.3 | 176.7 | -73 | 174.4 | 0 | 0 | 0 | 113 | H215 Q216 K223 | H215-L219 WeakPolarHBondContact O-CG 3.5Å; H215-L219 PolarHBondContact O-N 3.11Å; Q216-L219 PolarHBondContact O-N 2.97Å; L219-K223 WeakPolarHBondContact O-CD 3.05Å; L219-K223 VanDerWaalsContact O-CG 3.3Å; L219-K223 WeakPolarHBondContact O-CG 3.24Å; L219-K223 PolarHBondContact O-N 3.27Å |
| 220 | A | 98.5 | Very high | 98.1 | Very high | 46 Ų | 46 | 95.6 Ų | 95.6 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72 | -44.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q216 D217 I218 Y222 K223 L224 | Q216-A220 PolarHBondContact O-N 3.5Å; D217-A220 PolarHBondContact O-N 2.89Å; I218-A220 VanDerWaalsContact C-N 3.29Å; I218-A220 PolarHBondContact O-N 2.93Å; A220-Y222 PolarHBondContact O-N 3.41Å; A220-K223 PolarHBondContact O-N 3.48Å; A220-L224 WeakPolarHBondContact O-CG 3.28Å; A220-L224 PolarHBondContact O-N 2.91Å |
| 221 | A | 98.2 | Very high | 98.2 | Very high | 56 Ų | 56 | 95.6 Ų | 95.6 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D217 I218 K223 L224 H225 | D217-A221 WeakPolarHBondContact O-CB 3.05Å; D217-A221 PolarHBondContact O-N 3.25Å; I218-A221 PolarHBondContact O-N 3.27Å; A221-K223 VanDerWaalsContact C-N 3.33Å; A221-K223 PolarHBondContact O-N 2.99Å; A221-L224 PolarHBondContact O-N 3.38Å; A221-H225 VanDerWaalsContact O-CB 3.31Å; A221-H225 WeakPolarHBondContact O-CB 3.46Å; A221-H225 PolarHBondContact O-N 2.94Å |
| 222 | Y | 98.4 | Very high | 98.2 | Very high | 159 Ų | 159 | 95.2 Ų | 95.2 | 62% | 0.624 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.5 | -37.9 | 175.1 | -85.3 | -63 | 0 | 0 | 0 | 113.1 | I218 A220 A226 | I218-Y222 HydrophobicContact CG2-CD2 3.63Å; I218-Y222 HydrophobicContact CG2-CE2 3.52Å; I218-Y222 VanDerWaalsContact O-CD2 3.28Å; I218-Y222 WeakPolarHBondContact O-CD2 3.41Å; I218-Y222 PolarHBondContact O-N 3.01Å; A220-Y222 PolarHBondContact O-N 3.41Å; Y222-A226 WeakPolarHBondContact O-CB 3.27Å; Y222-A226 PolarHBondContact O-N 3.4Å |
| 223 | K | 98.5 | Very high | 98.1 | Very high | 139 Ų | 139 | 93.2 Ų | 93.2 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.7 | -45.8 | 176.3 | -72.3 | 167.2 | -174.8 | 172.1 | 0 | 111.9 | L219 A220 A221 H225 A226 Q227 | L219-K223 WeakPolarHBondContact O-CD 3.05Å; L219-K223 VanDerWaalsContact O-CG 3.3Å; L219-K223 WeakPolarHBondContact O-CG 3.24Å; L219-K223 PolarHBondContact O-N 3.27Å; A220-K223 PolarHBondContact O-N 3.48Å; A221-K223 VanDerWaalsContact C-N 3.33Å; A221-K223 PolarHBondContact O-N 2.99Å; K223-H225 VanDerWaalsContact C-N 3.33Å; K223-A226 PolarHBondContact O-N 3.37Å; K223-Q227 WeakPolarHBondContact O-CG 3.42Å; K223-Q227 PolarHBondContact O-N 3.46Å |
| 224 | L | 98.5 | Very high | 98.1 | Very high | 114 Ų | 114 | 90.5 Ų | 90.5 | 60% | 0.597 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.2 | -38.6 | 176.4 | -69.5 | 170.6 | 0 | 0 | 0 | 111.7 | A220 A221 Q227 A228 | A220-L224 WeakPolarHBondContact O-CG 3.28Å; A220-L224 PolarHBondContact O-N 2.91Å; A221-L224 PolarHBondContact O-N 3.38Å; L224-Q227 PolarHBondContact O-N 3.36Å; L224-A228 WeakPolarHBondContact O-CB 3.49Å; L224-A228 PolarHBondContact O-N 3.48Å |
| 225 | H | 98.1 | Very high | 98 | Very high | 104 Ų | 104 | 91.4 Ų | 91.4 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -50.6 | 175.6 | -177.7 | 26.9 | 0 | 0 | 0 | 111.4 | A221 K223 Q227 A228 E229 | A221-H225 VanDerWaalsContact O-CB 3.31Å; A221-H225 WeakPolarHBondContact O-CB 3.46Å; A221-H225 PolarHBondContact O-N 2.94Å; K223-H225 VanDerWaalsContact C-N 3.33Å; H225-Q227 VanDerWaalsContact C-N 3.27Å; H225-Q227 PolarHBondContact O-N 3.03Å; H225-A228 PolarHBondContact O-N 2.76Å; H225-A228 VanDerWaalsContact O-N 3.13Å; H225-E229 WeakPolarHBondContact O-CG 3.26Å; H225-E229 PolarHBondContact O-N 2.91Å |
| 226 | A | 97.9 | Very high | 98 | Very high | 49 Ų | 49 | 93 Ų | 93 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -34.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y222 K223 L230 | Y222-A226 WeakPolarHBondContact O-CB 3.27Å; Y222-A226 PolarHBondContact O-N 3.4Å; K223-A226 PolarHBondContact O-N 3.37Å; A226-L230 WeakPolarHBondContact O-CG 3.39Å; A226-L230 PolarHBondContact O-N 2.84Å |
| 227 | Q | 98.4 | Very high | 97.9 | Very high | 109 Ų | 109 | 92.3 Ų | 92.3 | 51% | 0.509 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 172 | -74.1 | 170.9 | -26.5 | 0 | 0 | 111.6 | K223 L224 H225 E229 L230 E231 | K223-Q227 WeakPolarHBondContact O-CG 3.42Å; K223-Q227 PolarHBondContact O-N 3.46Å; L224-Q227 PolarHBondContact O-N 3.36Å; H225-Q227 VanDerWaalsContact C-N 3.27Å; H225-Q227 PolarHBondContact O-N 3.03Å; Q227-E229 VanDerWaalsContact C-N 3.29Å; Q227-E229 PolarHBondContact O-N 2.8Å; Q227-L230 PolarHBondContact O-N 2.93Å; Q227-E231 WeakPolarHBondContact O-CG 3.31Å; Q227-E231 PolarHBondContact O-N 3.44Å |
| 228 | A | 97.9 | Very high | 97.9 | Very high | 51 Ų | 51 | 94.4 Ų | 94.4 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -29.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | L224 H225 R232 | L224-A228 WeakPolarHBondContact O-CB 3.49Å; L224-A228 PolarHBondContact O-N 3.48Å; H225-A228 PolarHBondContact O-N 2.76Å; H225-A228 VanDerWaalsContact O-N 3.13Å; A228-R232 WeakPolarHBondContact O-CB 3.3Å; A228-R232 PolarHBondContact O-N 2.86Å |
| 229 | E | 97.3 | Very high | 97.9 | Very high | 71 Ų | 71 | 95.1 Ų | 95.1 | 33% | 0.332 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 171.7 | -68.4 | -148.6 | 101.8 | 0 | 0 | 112.1 | H225 Q227 R232 D233 | H225-E229 WeakPolarHBondContact O-CG 3.26Å; H225-E229 PolarHBondContact O-N 2.91Å; Q227-E229 VanDerWaalsContact C-N 3.29Å; Q227-E229 PolarHBondContact O-N 2.8Å; E229-R232 WeakPolarHBondContact O-CB 3.41Å; E229-R232 PolarHBondContact O-N 2.82Å; E229-R232 IonicContact OE1-CZ 3.91Å; E229-R232 VanDerWaalsContact OE1-CZ 3.23Å; E229-R232 IonicContact OE1-NH1 2.8Å; E229-R232 PolarHBondContact OE1-NH1 2.79Å; E229-R232 IonicContact OE1-NH2 3.34Å; E229-R232 PolarHBondContact OE1-NH2 3.03Å; E229-D233 WeakPolarHBondContact O-CB 3.38Å; E229-D233 VanDerWaalsContact O-CG 3.24Å; E229-D233 PolarHBondContact O-N 3.38Å |
| 230 | L | 97.8 | Very high | 97.8 | Very high | 134 Ų | 134 | 97.3 Ų | 97.3 | 70% | 0.702 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -40 | 175.7 | -69.5 | 168.1 | 0 | 0 | 0 | 112 | A226 Q227 D233 G234 | A226-L230 WeakPolarHBondContact O-CG 3.39Å; A226-L230 PolarHBondContact O-N 2.84Å; Q227-L230 PolarHBondContact O-N 2.93Å; L230-D233 PolarHBondContact O-N 2.79Å; L230-G234 PolarHBondContact O-N 3.22Å |
| 231 | E | 98.1 | Very high | 97.7 | Very high | 136 Ų | 136 | 98.6 Ų | 98.6 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.2 | -45.7 | 173.8 | -71.7 | 177 | 179.3 | 0 | 0 | 111.7 | Q227 D233 G234 L235 | Q227-E231 WeakPolarHBondContact O-CG 3.31Å; Q227-E231 PolarHBondContact O-N 3.44Å; E231-D233 VanDerWaalsContact C-N 3.31Å; E231-D233 PolarHBondContact O-N 2.86Å; E231-G234 PolarHBondContact O-N 3.41Å; E231-L235 WeakPolarHBondContact O-CG 3.38Å; E231-L235 PolarHBondContact O-N 3.22Å |
| 232 | R | 97.6 | Very high | 97.7 | Very high | 90 Ų | 90 | 100.4 Ų | 100.4 | 34% | 0.34 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.1 | -45.3 | 174.5 | 174.9 | -160.8 | 72.7 | -154.1 | -8.7 | 111.5 | A228 E229 L235 R236 | A228-R232 WeakPolarHBondContact O-CB 3.3Å; A228-R232 PolarHBondContact O-N 2.86Å; E229-R232 WeakPolarHBondContact O-CB 3.41Å; E229-R232 PolarHBondContact O-N 2.82Å; E229-R232 IonicContact OE1-CZ 3.91Å; E229-R232 VanDerWaalsContact OE1-CZ 3.23Å; E229-R232 IonicContact OE1-NH1 2.8Å; E229-R232 PolarHBondContact OE1-NH1 2.79Å; E229-R232 IonicContact OE1-NH2 3.34Å; E229-R232 PolarHBondContact OE1-NH2 3.03Å; R232-L235 PolarHBondContact O-N 3.48Å; R232-R236 WeakPolarHBondContact O-CG 3.41Å; R232-R236 PolarHBondContact O-N 3Å |
| 233 | D | 96.1 | Very high | 97.7 | Very high | 60 Ų | 60 | 97.7 Ų | 97.7 | 32% | 0.321 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -78.2 | -30.7 | -174.4 | -64.5 | -21.7 | 0 | 0 | 0 | 111.8 | E229 L230 E231 R236 E237 | E229-D233 WeakPolarHBondContact O-CB 3.38Å; E229-D233 VanDerWaalsContact O-CG 3.24Å; E229-D233 PolarHBondContact O-N 3.38Å; L230-D233 PolarHBondContact O-N 2.79Å; E231-D233 VanDerWaalsContact C-N 3.31Å; E231-D233 PolarHBondContact O-N 2.86Å; D233-R236 WeakPolarHBondContact O-CB 3.48Å; D233-R236 PolarHBondContact O-N 3.27Å; D233-R236 WeakPolarHBondContact OD1-CD 3.49Å; D233-R236 IonicContact OD1-CZ 3.41Å; D233-R236 IonicContact OD1-NE 3.93Å; D233-R236 PolarHBondContact OD1-NE 2.85Å; D233-R236 IonicContact OD1-NH1 2.7Å; D233-E237 PolarHBondContact O-N 3.37Å |
| 234 | G | 97.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 96 Ų | 96 | 38% | 0.381 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L230 E231 R236 E237 E238 | L230-G234 PolarHBondContact O-N 3.22Å; E231-G234 PolarHBondContact O-N 3.41Å; G234-R236 VanDerWaalsContact C-N 3.3Å; G234-R236 PolarHBondContact O-N 2.87Å; G234-E237 PolarHBondContact O-N 3.07Å; G234-E237 VanDerWaalsContact O-N 3.17Å; G234-E238 PolarHBondContact O-N 2.98Å |
| 235 | L | 98 | Very high | 97.5 | Very high | 98 Ų | 98 | 96.4 Ų | 96.4 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -31.6 | 176.1 | -72.4 | 169.7 | 0 | 0 | 0 | 112.9 | E231 R232 E238 I239 | E231-L235 WeakPolarHBondContact O-CG 3.38Å; E231-L235 PolarHBondContact O-N 3.22Å; R232-L235 PolarHBondContact O-N 3.48Å; L235-E238 PolarHBondContact O-N 3.36Å; L235-I239 WeakPolarHBondContact O-CB 3.26Å; L235-I239 WeakPolarHBondContact O-CD1 3.45Å; L235-I239 WeakPolarHBondContact O-CG1 3.46Å; L235-I239 PolarHBondContact O-N 2.97Å |
| 236 | R | 97.6 | Very high | 97.5 | Very high | 147 Ų | 147 | 96.8 Ų | 96.8 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 172.3 | -72.1 | 173.6 | -175.9 | -167.6 | 1.8 | 111.5 | R232 D233 G234 I239 R240 | R232-R236 WeakPolarHBondContact O-CG 3.41Å; R232-R236 PolarHBondContact O-N 3Å; D233-R236 WeakPolarHBondContact O-CB 3.48Å; D233-R236 PolarHBondContact O-N 3.27Å; D233-R236 WeakPolarHBondContact OD1-CD 3.49Å; D233-R236 IonicContact OD1-CZ 3.41Å; D233-R236 IonicContact OD1-NE 3.93Å; D233-R236 PolarHBondContact OD1-NE 2.85Å; D233-R236 IonicContact OD1-NH1 2.7Å; G234-R236 VanDerWaalsContact C-N 3.3Å; G234-R236 PolarHBondContact O-N 2.87Å; R236-I239 PolarHBondContact O-N 3.03Å; R236-R240 WeakPolarHBondContact O-CB 3.41Å; R236-R240 PolarHBondContact O-N 3.39Å |
| 237 | E | 96.5 | Very high | 97.5 | Very high | 96 Ų | 96 | 101.3 Ų | 101.3 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 177.7 | -75.1 | -60.3 | 110.4 | 0 | 0 | 112.7 | D233 G234 R240 L241 | D233-E237 PolarHBondContact O-N 3.37Å; G234-E237 PolarHBondContact O-N 3.07Å; G234-E237 VanDerWaalsContact O-N 3.17Å; E237-R240 VanDerWaalsContact CD-NE 3.35Å; E237-R240 PolarHBondContact O-N 3.48Å; E237-R240 IonicContact OE1-CZ 3.2Å; E237-R240 IonicContact OE1-NE 3.57Å; E237-R240 PolarHBondContact OE1-NE 2.98Å; E237-R240 IonicContact OE2-CZ 3.55Å; E237-R240 VanDerWaalsContact OE2-CZ 3.24Å; E237-R240 IonicContact OE2-NE 3.61Å; E237-R240 PolarHBondContact OE2-NE 3.33Å; E237-R240 IonicContact OE2-NH2 2.66Å; E237-R240 PolarHBondContact OE2-NH2 3.2Å; E237-L241 WeakPolarHBondContact O-CB 3.4Å; E237-L241 PolarHBondContact O-N 3.42Å |
| 238 | E | 97.9 | Very high | 97.5 | Very high | 127 Ų | 127 | 101.3 Ų | 101.3 | 59% | 0.593 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.8 | -45.6 | 170.7 | -71.2 | -171.6 | -179.6 | 0 | 0 | 111.7 | G234 L235 R240 L241 V242 | G234-E238 PolarHBondContact O-N 2.98Å; L235-E238 PolarHBondContact O-N 3.36Å; E238-R240 PolarHBondContact O-N 3.5Å; E238-L241 PolarHBondContact O-N 2.97Å; E238-V242 WeakPolarHBondContact O-CB 3.31Å; E238-V242 VanDerWaalsContact O-CG2 3.31Å; E238-V242 WeakPolarHBondContact O-CG2 3.37Å; E238-V242 PolarHBondContact O-N 3.04Å |
| 239 | I | 97.7 | Very high | 97.5 | Very high | 97 Ų | 97 | 102.5 Ų | 102.5 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175.5 | -71.8 | 165.1 | 0 | 0 | 0 | 111 | L235 R236 V242 K243 | L235-I239 WeakPolarHBondContact O-CB 3.26Å; L235-I239 WeakPolarHBondContact O-CD1 3.45Å; L235-I239 WeakPolarHBondContact O-CG1 3.46Å; L235-I239 PolarHBondContact O-N 2.97Å; R236-I239 PolarHBondContact O-N 3.03Å; I239-V242 PolarHBondContact O-N 2.96Å; I239-K243 HydrophobicContact CG2-CD 4.31Å; I239-K243 HydrophobicContact CG2-CG 4.42Å; I239-K243 WeakPolarHBondContact O-CB 3.48Å; I239-K243 WeakPolarHBondContact O-CG 3.32Å; I239-K243 PolarHBondContact O-N 2.94Å |
| 240 | R | 97.3 | Very high | 97.5 | Very high | 123 Ų | 123 | 102.5 Ų | 102.5 | 46% | 0.464 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 177 | -167.8 | -178.7 | 66.8 | 75.4 | 3.9 | 111.4 | R236 E237 E238 K243 Q244 | R236-R240 WeakPolarHBondContact O-CB 3.41Å; R236-R240 PolarHBondContact O-N 3.39Å; E237-R240 VanDerWaalsContact CD-NE 3.35Å; E237-R240 PolarHBondContact O-N 3.48Å; E237-R240 IonicContact OE1-CZ 3.2Å; E237-R240 IonicContact OE1-NE 3.57Å; E237-R240 PolarHBondContact OE1-NE 2.98Å; E237-R240 IonicContact OE2-CZ 3.55Å; E237-R240 VanDerWaalsContact OE2-CZ 3.24Å; E237-R240 IonicContact OE2-NE 3.61Å; E237-R240 PolarHBondContact OE2-NE 3.33Å; E237-R240 IonicContact OE2-NH2 2.66Å; E237-R240 PolarHBondContact OE2-NH2 3.2Å; E238-R240 PolarHBondContact O-N 3.5Å; R240-K243 PolarHBondContact O-N 2.8Å; R240-Q244 PolarHBondContact O-N 2.77Å |
| 241 | L | 97.5 | Very high | 97.5 | Very high | 74 Ų | 74 | 103.2 Ų | 103.2 | 39% | 0.387 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 176.9 | -176.7 | 61.7 | 0 | 0 | 0 | 112.5 | E237 E238 K245 | E237-L241 WeakPolarHBondContact O-CB 3.4Å; E237-L241 PolarHBondContact O-N 3.42Å; E238-L241 PolarHBondContact O-N 2.97Å; L241-K245 HydrophobicContact CD1-CD 4.47Å; L241-K245 HydrophobicContact CG-CD 4.25Å; L241-K245 WeakPolarHBondContact O-CB 3.42Å; L241-K245 VanDerWaalsContact O-CG 3.29Å; L241-K245 WeakPolarHBondContact O-CG 3.37Å; L241-K245 PolarHBondContact O-N 3.21Å |
| 242 | V | 98.1 | Very high | 97.5 | Very high | 94 Ų | 94 | 100.2 Ų | 100.2 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.7 | -44 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | E238 I239 Q244 K245 L246 | E238-V242 WeakPolarHBondContact O-CB 3.31Å; E238-V242 VanDerWaalsContact O-CG2 3.31Å; E238-V242 WeakPolarHBondContact O-CG2 3.37Å; E238-V242 PolarHBondContact O-N 3.04Å; I239-V242 PolarHBondContact O-N 2.96Å; V242-Q244 PolarHBondContact O-N 3.23Å; V242-K245 PolarHBondContact O-N 3.13Å; V242-L246 VanDerWaalsContact O-CB 3.31Å; V242-L246 WeakPolarHBondContact O-CB 3.49Å; V242-L246 PolarHBondContact O-N 2.95Å |
| 243 | K | 96.6 | Very high | 97.5 | Very high | 101 Ų | 101 | 98.9 Ų | 98.9 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -54 | -50.2 | 171.9 | -76.3 | 174.2 | 175.8 | -178.2 | 0 | 110.8 | D57 I239 R240 L246 F247 | D57-K243 IonicContact OD2-NZ 2.74Å; D57-K243 PolarHBondContact OD2-NZ 2.86Å; D57-K243 VanDerWaalsContact OD2-NZ 3.09Å; I239-K243 HydrophobicContact CG2-CD 4.31Å; I239-K243 HydrophobicContact CG2-CG 4.42Å; I239-K243 WeakPolarHBondContact O-CB 3.48Å; I239-K243 WeakPolarHBondContact O-CG 3.32Å; I239-K243 PolarHBondContact O-N 2.94Å; R240-K243 PolarHBondContact O-N 2.8Å; K243-L246 PolarHBondContact O-N 3.33Å; K243-F247 WeakPolarHBondContact O-CB 3.09Å; K243-F247 PolarHBondContact O-N 2.89Å |
| 244 | Q | 96.6 | Very high | 97.6 | Very high | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | -179.4 | -169.4 | -174.3 | 18.3 | 0 | 0 | 112.5 | R240 V242 F247 K248 | R240-Q244 PolarHBondContact O-N 2.77Å; V242-Q244 PolarHBondContact O-N 3.23Å; Q244-F247 PolarHBondContact O-N 2.84Å; Q244-K248 PolarHBondContact O-N 3.23Å |
| 245 | K | 97.9 | Very high | 97.6 | Very high | 122 Ų | 122 | 100.4 Ų | 100.4 | 53% | 0.53 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 176.4 | -74.8 | 169.2 | 179.7 | 171 | 0 | 112.1 | L241 V242 F247 K248 V249 | L241-K245 HydrophobicContact CD1-CD 4.47Å; L241-K245 HydrophobicContact CG-CD 4.25Å; L241-K245 WeakPolarHBondContact O-CB 3.42Å; L241-K245 VanDerWaalsContact O-CG 3.29Å; L241-K245 WeakPolarHBondContact O-CG 3.37Å; L241-K245 PolarHBondContact O-N 3.21Å; V242-K245 PolarHBondContact O-N 3.13Å; K245-F247 VanDerWaalsContact C-N 3.33Å; K245-F247 PolarHBondContact O-N 2.93Å; K245-K248 PolarHBondContact O-N 2.69Å; K245-V249 WeakPolarHBondContact O-CG2 3.35Å; K245-V249 PolarHBondContact O-N 3.47Å |
| 246 | L | 98.3 | Very high | 97.6 | Very high | 113 Ų | 113 | 103 Ų | 103 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 177.1 | -178.8 | 61.3 | 0 | 0 | 0 | 111.2 | V242 K243 T250 | V242-L246 VanDerWaalsContact O-CB 3.31Å; V242-L246 WeakPolarHBondContact O-CB 3.49Å; V242-L246 PolarHBondContact O-N 2.95Å; K243-L246 PolarHBondContact O-N 3.33Å; L246-T250 VanDerWaalsContact O-CB 3.28Å; L246-T250 WeakPolarHBondContact O-CB 3.42Å; L246-T250 PolarHBondContact O-N 3.37Å; L246-T250 PolarHBondContact O-OG1 2.93Å |
| 247 | F | 97.6 | Very high | 97.6 | Very high | 144 Ų | 144 | 102 Ų | 102 | 63% | 0.632 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.1 | -46.6 | 175.3 | -175.9 | -103.1 | 0 | 0 | 0 | 112.4 | K243 Q244 K245 T250 K251 | K243-F247 WeakPolarHBondContact O-CB 3.09Å; K243-F247 PolarHBondContact O-N 2.89Å; Q244-F247 PolarHBondContact O-N 2.84Å; K245-F247 VanDerWaalsContact C-N 3.33Å; K245-F247 PolarHBondContact O-N 2.93Å; F247-T250 PolarHBondContact O-N 2.9Å; F247-K251 WeakPolarHBondContact O-CB 3.39Å; F247-K251 PolarHBondContact O-N 3.37Å |
| 248 | K | 97.7 | Very high | 97.7 | Very high | 109 Ų | 109 | 105.4 Ų | 105.4 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.7 | -50.2 | 175.8 | 179 | 159.3 | -178.1 | 161.6 | 0 | 111.6 | Q244 K245 T250 K251 E252 | Q244-K248 PolarHBondContact O-N 3.23Å; K245-K248 PolarHBondContact O-N 2.69Å; K248-T250 VanDerWaalsContact C-N 3.32Å; K248-T250 PolarHBondContact O-N 3.33Å; K248-K251 PolarHBondContact O-N 3.35Å; K248-E252 WeakPolarHBondContact CE-OE1 3.43Å; K248-E252 VanDerWaalsContact CG-OE1 3.23Å; K248-E252 WeakPolarHBondContact CG-OE1 3.4Å; K248-E252 WeakPolarHBondContact O-CG 3.27Å; K248-E252 PolarHBondContact O-N 3.27Å |
| 249 | V | 98.3 | Very high | 97.8 | Very high | 75 Ų | 75 | 104.6 Ų | 104.6 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 177.7 | 173 | 0 | 0 | 0 | 0 | 111.7 | K245 E252 C253 | K245-V249 WeakPolarHBondContact O-CG2 3.35Å; K245-V249 PolarHBondContact O-N 3.47Å; V249-E252 PolarHBondContact O-N 3.39Å; V249-C253 WeakPolarHBondContact O-CB 3.43Å; V249-C253 PolarHBondContact O-N 3.45Å; V249-C253 PolarHBondContact O-SG 2.95Å |
| 250 | T | 97.8 | Very high | 97.8 | Very high | 72 Ų | 72 | 105 Ų | 105 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 178 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | L246 F247 K248 E252 C253 V254 | L246-T250 VanDerWaalsContact O-CB 3.28Å; L246-T250 WeakPolarHBondContact O-CB 3.42Å; L246-T250 PolarHBondContact O-N 3.37Å; L246-T250 PolarHBondContact O-OG1 2.93Å; F247-T250 PolarHBondContact O-N 2.9Å; K248-T250 VanDerWaalsContact C-N 3.32Å; K248-T250 PolarHBondContact O-N 3.33Å; T250-E252 PolarHBondContact O-N 3.03Å; T250-C253 PolarHBondContact O-N 3.29Å; T250-V254 WeakPolarHBondContact O-CG2 3.48Å; T250-V254 PolarHBondContact O-N 3.48Å |
| 251 | K | 97.9 | Very high | 97.9 | Very high | 148 Ų | 148 | 103.9 Ų | 103.9 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -44 | 174.5 | -177.2 | -178.1 | 177.5 | -176.6 | 0 | 111.5 | F247 K248 A255 | F247-K251 WeakPolarHBondContact O-CB 3.39Å; F247-K251 PolarHBondContact O-N 3.37Å; K248-K251 PolarHBondContact O-N 3.35Å; K251-A255 WeakPolarHBondContact O-CB 3.49Å; K251-A255 PolarHBondContact O-N 2.92Å |
| 252 | E | 97.6 | Very high | 97.9 | Very high | 74 Ų | 74 | 102 Ų | 102 | 35% | 0.346 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 175.2 | -71.6 | 165.7 | -176 | 0 | 0 | 111.8 | K248 V249 T250 V254 A255 Y256 | K248-E252 WeakPolarHBondContact CE-OE1 3.43Å; K248-E252 VanDerWaalsContact CG-OE1 3.23Å; K248-E252 WeakPolarHBondContact CG-OE1 3.4Å; K248-E252 WeakPolarHBondContact O-CG 3.27Å; K248-E252 PolarHBondContact O-N 3.27Å; V249-E252 PolarHBondContact O-N 3.39Å; T250-E252 PolarHBondContact O-N 3.03Å; E252-V254 PolarHBondContact O-N 3.17Å; E252-A255 PolarHBondContact O-N 3.02Å; E252-Y256 HydrophobicContact CB-CE2 4.2Å; E252-Y256 WeakPolarHBondContact O-CD2 2.83Å; E252-Y256 PolarHBondContact O-N 3.29Å |
| 253 | C | 97.9 | Very high | 97.9 | Very high | 61 Ų | 61 | 106 Ų | 106 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 176.5 | -73.6 | 0 | 0 | 0 | 0 | 112.8 | V249 T250 Y256 Q257 | V249-C253 WeakPolarHBondContact O-CB 3.43Å; V249-C253 PolarHBondContact O-N 3.45Å; V249-C253 PolarHBondContact O-SG 2.95Å; T250-C253 PolarHBondContact O-N 3.29Å; C253-Y256 PolarHBondContact O-N 3.17Å; C253-Q257 WeakPolarHBondContact O-CB 3.36Å; C253-Q257 VanDerWaalsContact O-CG 3.26Å; C253-Q257 WeakPolarHBondContact O-CG 3.21Å; C253-Q257 PolarHBondContact O-N 2.95Å |
| 254 | V | 98.4 | Very high | 97.9 | Very high | 84 Ų | 84 | 106.3 Ų | 106.3 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | T250 E252 Q257 Y258 | T250-V254 WeakPolarHBondContact O-CG2 3.48Å; T250-V254 PolarHBondContact O-N 3.48Å; E252-V254 PolarHBondContact O-N 3.17Å; V254-Q257 PolarHBondContact O-N 3.48Å; V254-Y258 PolarHBondContact O-N 3.41Å |
| 255 | A | 97.1 | Very high | 98 | Very high | 45 Ų | 45 | 106.2 Ų | 106.2 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K251 E252 Y258 Q259 | K251-A255 WeakPolarHBondContact O-CB 3.49Å; K251-A255 PolarHBondContact O-N 2.92Å; E252-A255 PolarHBondContact O-N 3.02Å; A255-Y258 PolarHBondContact O-N 2.94Å; A255-Q259 WeakPolarHBondContact O-CG 3.23Å; A255-Q259 PolarHBondContact O-N 2.97Å |
| 256 | Y | 97.9 | Very high | 98 | Very high | 152 Ų | 152 | 103.4 Ų | 103.4 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.9 | -37 | 175.6 | -68.2 | -51.7 | 0 | 0 | 0 | 113 | E252 C253 Q259 L260 | E252-Y256 HydrophobicContact CB-CE2 4.2Å; E252-Y256 WeakPolarHBondContact O-CD2 2.83Å; E252-Y256 PolarHBondContact O-N 3.29Å; C253-Y256 PolarHBondContact O-N 3.17Å; Y256-Q259 PolarHBondContact O-N 3.37Å; Y256-L260 VanDerWaalsContact O-CB 3.3Å; Y256-L260 WeakPolarHBondContact O-CB 3.43Å; Y256-L260 PolarHBondContact O-N 3.34Å |
| 257 | Q | 98.3 | Very high | 98 | Very high | 128 Ų | 128 | 102.9 Ų | 102.9 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -48.4 | 173.3 | -76.1 | 169 | -4.5 | 0 | 0 | 111.1 | C253 V254 Q259 L260 E261 | C253-Q257 WeakPolarHBondContact O-CB 3.36Å; C253-Q257 VanDerWaalsContact O-CG 3.26Å; C253-Q257 WeakPolarHBondContact O-CG 3.21Å; C253-Q257 PolarHBondContact O-N 2.95Å; V254-Q257 PolarHBondContact O-N 3.48Å; Q257-Q259 PolarHBondContact O-N 2.86Å; Q257-L260 PolarHBondContact O-N 2.96Å; Q257-E261 WeakPolarHBondContact O-CB 3.37Å; Q257-E261 PolarHBondContact O-N 3.4Å |
| 258 | Y | 98.3 | Very high | 98 | Very high | 166 Ų | 166 | 98.6 Ų | 98.6 | 65% | 0.651 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.4 | -47.2 | 176.1 | 177.1 | -99.9 | 0 | 0 | 0 | 112.3 | V254 A255 L260 E261 C262 | V254-Y258 PolarHBondContact O-N 3.41Å; A255-Y258 PolarHBondContact O-N 2.94Å; Y258-L260 VanDerWaalsContact C-N 3.33Å; Y258-L260 PolarHBondContact O-N 2.95Å; Y258-E261 WeakPolarHBondContact O-CB 3.37Å; Y258-E261 PolarHBondContact O-N 3.48Å; Y258-C262 PolarHBondContact O-N 2.98Å; Y258-C262 PolarHBondContact O-SG 3Å; Y258-C262 VanDerWaalsContact O-SG 3.36Å |
| 259 | Q | 98.5 | Very high | 98 | Very high | 111 Ų | 111 | 97.9 Ų | 97.9 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 176.7 | -73.2 | 176.4 | 14.6 | 0 | 0 | 112.3 | A255 Y256 Q257 R263 | A255-Q259 WeakPolarHBondContact O-CG 3.23Å; A255-Q259 PolarHBondContact O-N 2.97Å; Y256-Q259 PolarHBondContact O-N 3.37Å; Q257-Q259 PolarHBondContact O-N 2.86Å; Q259-R263 WeakPolarHBondContact O-CG 3.45Å; Q259-R263 PolarHBondContact O-N 3.17Å; Q259-R263 VanDerWaalsContact O-N 3.09Å |
| 260 | L | 98.5 | Very high | 97.9 | Very high | 106 Ų | 106 | 101 Ų | 101 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.2 | -40.7 | 177.4 | 178.2 | 60.7 | 0 | 0 | 0 | 111.8 | Y256 Q257 Y258 R263 Q264 | Y256-L260 VanDerWaalsContact O-CB 3.3Å; Y256-L260 WeakPolarHBondContact O-CB 3.43Å; Y256-L260 PolarHBondContact O-N 3.34Å; Q257-L260 PolarHBondContact O-N 2.96Å; Y258-L260 VanDerWaalsContact C-N 3.33Å; Y258-L260 PolarHBondContact O-N 2.95Å; L260-R263 PolarHBondContact O-N 2.85Å; L260-Q264 WeakPolarHBondContact O-CG 3.23Å; L260-Q264 PolarHBondContact O-N 2.98Å |
| 261 | E | 98.4 | Very high | 97.9 | Very high | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -47.8 | 176.5 | -165.4 | 63.9 | -157.1 | 0 | 0 | 111.1 | Q257 Y258 R263 Q264 Q265 | Q257-E261 WeakPolarHBondContact O-CB 3.37Å; Q257-E261 PolarHBondContact O-N 3.4Å; Y258-E261 WeakPolarHBondContact O-CB 3.37Å; Y258-E261 PolarHBondContact O-N 3.48Å; E261-R263 PolarHBondContact O-N 3.32Å; E261-Q264 PolarHBondContact O-N 2.68Å; E261-Q265 WeakPolarHBondContact O-CG 3.4Å; E261-Q265 PolarHBondContact O-N 3.25Å |
| 262 | C | 97.8 | Very high | 97.9 | Very high | 35 Ų | 35 | 96.8 Ų | 96.8 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 174 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | Y258 Q264 Q265 D266 | Y258-C262 PolarHBondContact O-N 2.98Å; Y258-C262 PolarHBondContact O-SG 3Å; Y258-C262 VanDerWaalsContact O-SG 3.36Å; C262-Q264 VanDerWaalsContact C-N 3.3Å; C262-Q264 PolarHBondContact O-N 2.92Å; C262-Q265 WeakPolarHBondContact O-CB 3.45Å; C262-Q265 PolarHBondContact O-N 2.95Å; C262-Q265 VanDerWaalsContact O-N 3.13Å; C262-D266 PolarHBondContact O-N 2.85Å |
| 263 | R | 97.9 | Very high | 97.9 | Very high | 178 Ų | 178 | 99 Ų | 99 | 67% | 0.672 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.7 | -28.5 | 179 | -64.5 | -53.6 | -178 | 94.9 | 3.3 | 113.3 | Q259 L260 E261 D266 V267 | Q259-R263 WeakPolarHBondContact O-CG 3.45Å; Q259-R263 PolarHBondContact O-N 3.17Å; Q259-R263 VanDerWaalsContact O-N 3.09Å; L260-R263 PolarHBondContact O-N 2.85Å; E261-R263 PolarHBondContact O-N 3.32Å; R263-D266 WeakPolarHBondContact CD-OD2 3.39Å; R263-V267 WeakPolarHBondContact O-CB 3.39Å; R263-V267 VanDerWaalsContact O-CG2 3.24Å; R263-V267 WeakPolarHBondContact O-CG2 3.31Å; R263-V267 PolarHBondContact O-N 3.17Å; R263-V267 VanDerWaalsContact O-N 3.12Å |
| 264 | Q | 98.2 | Very high | 97.9 | Very high | 107 Ų | 107 | 103.5 Ų | 103.5 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 171.2 | -74.5 | -179.5 | 77.1 | 0 | 0 | 111.4 | L260 E261 C262 V267 A268 | L260-Q264 WeakPolarHBondContact O-CG 3.23Å; L260-Q264 PolarHBondContact O-N 2.98Å; E261-Q264 PolarHBondContact O-N 2.68Å; C262-Q264 VanDerWaalsContact C-N 3.3Å; C262-Q264 PolarHBondContact O-N 2.92Å; Q264-V267 PolarHBondContact O-N 3.26Å; Q264-A268 PolarHBondContact O-N 3.4Å |
| 265 | Q | 98.1 | Very high | 97.9 | Very high | 101 Ų | 101 | 105.1 Ų | 105.1 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 175.8 | -66.1 | 171.3 | 15.3 | 0 | 0 | 112.2 | E261 C262 A268 Q269 | E261-Q265 WeakPolarHBondContact O-CG 3.4Å; E261-Q265 PolarHBondContact O-N 3.25Å; C262-Q265 WeakPolarHBondContact O-CB 3.45Å; C262-Q265 PolarHBondContact O-N 2.95Å; C262-Q265 VanDerWaalsContact O-N 3.13Å; Q265-A268 PolarHBondContact O-N 3.35Å; Q265-Q269 WeakPolarHBondContact O-CG 3.49Å; Q265-Q269 PolarHBondContact O-N 2.89Å; Q265-Q269 VanDerWaalsContact O-N 3.1Å; Q265-Q269 PolarHBondContact O-NE2 3.47Å; Q265-Q269 VanDerWaalsContact O-NE2 3.17Å |
| 266 | D | 97.8 | Very high | 98 | Very high | 64 Ų | 64 | 107.6 Ų | 107.6 | 34% | 0.342 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 171.7 | -65.8 | -29 | 0 | 0 | 0 | 111.1 | C262 R263 A268 Q269 F270 | C262-D266 PolarHBondContact O-N 2.85Å; R263-D266 WeakPolarHBondContact CD-OD2 3.39Å; D266-A268 VanDerWaalsContact C-N 3.31Å; D266-A268 PolarHBondContact O-N 3.5Å; D266-Q269 PolarHBondContact O-N 3.46Å; D266-F270 HydrophobicContact CB-CD2 4.4Å; D266-F270 HydrophobicContact CB-CE2 4.19Å; D266-F270 WeakPolarHBondContact O-CD2 3.28Å; D266-F270 PolarHBondContact O-N 2.92Å |
| 267 | V | 98.4 | Very high | 98 | Very high | 102 Ų | 102 | 106.3 Ų | 106.3 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.2 | -34.6 | -178.5 | 167.7 | 0 | 0 | 0 | 0 | 112.1 | R263 Q264 A271 | R263-V267 WeakPolarHBondContact O-CB 3.39Å; R263-V267 VanDerWaalsContact O-CG2 3.24Å; R263-V267 WeakPolarHBondContact O-CG2 3.31Å; R263-V267 PolarHBondContact O-N 3.17Å; R263-V267 VanDerWaalsContact O-N 3.12Å; Q264-V267 PolarHBondContact O-N 3.26Å; V267-A271 PolarHBondContact O-N 2.88Å; V267-A271 VanDerWaalsContact O-N 3.12Å |
| 268 | A | 97.4 | Very high | 98 | Very high | 53 Ų | 53 | 103.9 Ų | 103.9 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -50.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q264 Q265 D266 F270 A271 D272 | Q264-A268 PolarHBondContact O-N 3.4Å; Q265-A268 PolarHBondContact O-N 3.35Å; D266-A268 VanDerWaalsContact C-N 3.31Å; D266-A268 PolarHBondContact O-N 3.5Å; A268-F270 VanDerWaalsContact C-N 3.3Å; A268-F270 PolarHBondContact O-N 2.94Å; A268-A271 WeakPolarHBondContact O-CA 3.42Å; A268-A271 VanDerWaalsContact O-CB 3.29Å; A268-A271 WeakPolarHBondContact O-CB 3.29Å; A268-A271 PolarHBondContact O-N 2.8Å; A268-D272 PolarHBondContact O-N 2.93Å; A268-D272 VanDerWaalsContact O-N 3.12Å |
| 269 | Q | 97.3 | Very high | 98 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -40.6 | 176.7 | -70 | 169.7 | 67.8 | 0 | 0 | 112.2 | Q265 D266 A271 D272 F273 | Q265-Q269 WeakPolarHBondContact O-CG 3.49Å; Q265-Q269 PolarHBondContact O-N 2.89Å; Q265-Q269 VanDerWaalsContact O-N 3.1Å; Q265-Q269 PolarHBondContact O-NE2 3.47Å; Q265-Q269 VanDerWaalsContact O-NE2 3.17Å; D266-Q269 PolarHBondContact O-N 3.46Å; Q269-A271 VanDerWaalsContact C-N 3.28Å; Q269-A271 PolarHBondContact O-N 2.97Å; Q269-D272 PolarHBondContact O-N 3.13Å; Q269-F273 HydrophobicContact CB-CD2 4.45Å; Q269-F273 HydrophobicContact CB-CE2 4.12Å; Q269-F273 WeakPolarHBondContact O-CD2 3.31Å; Q269-F273 WeakPolarHBondContact O-CG 3.47Å; Q269-F273 PolarHBondContact O-N 3.36Å |
| 270 | F | 97.3 | Very high | 98 | Very high | 141 Ų | 141 | 100.8 Ų | 100.8 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.9 | -25.3 | 174.8 | -71.5 | -54.9 | 0 | 0 | 0 | 113.7 | D266 A268 F273 R274 | D266-F270 HydrophobicContact CB-CD2 4.4Å; D266-F270 HydrophobicContact CB-CE2 4.19Å; D266-F270 WeakPolarHBondContact O-CD2 3.28Å; D266-F270 PolarHBondContact O-N 2.92Å; A268-F270 VanDerWaalsContact C-N 3.3Å; A268-F270 PolarHBondContact O-N 2.94Å; F270-F273 HydrophobicContact CD1-CD2 4.47Å; F270-R274 VanDerWaalsContact O-CB 3.26Å; F270-R274 WeakPolarHBondContact O-CB 3.37Å; F270-R274 PolarHBondContact O-N 3.42Å |
| 271 | A | 98.1 | Very high | 98 | Very high | 28 Ų | 28 | 98.6 Ų | 98.6 | 23% | 0.231 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -69.3 | -48.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V267 A268 Q269 F273 R274 E275 | V267-A271 PolarHBondContact O-N 2.88Å; V267-A271 VanDerWaalsContact O-N 3.12Å; A268-A271 WeakPolarHBondContact O-CA 3.42Å; A268-A271 VanDerWaalsContact O-CB 3.29Å; A268-A271 WeakPolarHBondContact O-CB 3.29Å; A268-A271 PolarHBondContact O-N 2.8Å; Q269-A271 VanDerWaalsContact C-N 3.28Å; Q269-A271 PolarHBondContact O-N 2.97Å; A271-F273 PolarHBondContact O-N 3.19Å; A271-R274 WeakPolarHBondContact O-CB 3.46Å; A271-R274 PolarHBondContact O-N 3.33Å; A271-R274 VanDerWaalsContact O-N 3.14Å; A271-E275 PolarHBondContact O-N 2.93Å |
| 272 | D | 97.9 | Very high | 98 | Very high | 103 Ų | 103 | 97.3 Ų | 97.3 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.8 | -49.1 | 178 | -61.2 | -24.7 | 0 | 0 | 0 | 111.6 | A268 Q269 R274 E275 V276 | A268-D272 PolarHBondContact O-N 2.93Å; A268-D272 VanDerWaalsContact O-N 3.12Å; Q269-D272 PolarHBondContact O-N 3.13Å; D272-R274 VanDerWaalsContact C-N 3.27Å; D272-R274 PolarHBondContact O-N 3.05Å; D272-E275 PolarHBondContact O-N 3.03Å; D272-E275 VanDerWaalsContact O-N 3.11Å; D272-V276 WeakPolarHBondContact O-CG2 3.46Å; D272-V276 PolarHBondContact O-N 3.33Å |
| 273 | F | 97.1 | Very high | 98 | Very high | 121 Ų | 121 | 100 Ų | 100 | 53% | 0.531 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -36.3 | 176.6 | -68 | -49.4 | 0 | 0 | 0 | 112.4 | Q269 F270 A271 L277 | Q269-F273 HydrophobicContact CB-CD2 4.45Å; Q269-F273 HydrophobicContact CB-CE2 4.12Å; Q269-F273 WeakPolarHBondContact O-CD2 3.31Å; Q269-F273 WeakPolarHBondContact O-CG 3.47Å; Q269-F273 PolarHBondContact O-N 3.36Å; F270-F273 HydrophobicContact CD1-CD2 4.47Å; A271-F273 PolarHBondContact O-N 3.19Å; F273-L277 WeakPolarHBondContact O-CB 3.4Å; F273-L277 VanDerWaalsContact O-CG 3.26Å; F273-L277 WeakPolarHBondContact O-CG 3.37Å; F273-L277 PolarHBondContact O-N 2.98Å |
| 274 | R | 98.2 | Very high | 98 | Very high | 155 Ų | 155 | 95.1 Ų | 95.1 | 59% | 0.585 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.4 | -37.8 | 175.5 | -175.7 | -173 | 65.9 | -156.8 | -5.5 | 111.6 | F270 A271 D272 L277 T278 | F270-R274 VanDerWaalsContact O-CB 3.26Å; F270-R274 WeakPolarHBondContact O-CB 3.37Å; F270-R274 PolarHBondContact O-N 3.42Å; A271-R274 WeakPolarHBondContact O-CB 3.46Å; A271-R274 PolarHBondContact O-N 3.33Å; A271-R274 VanDerWaalsContact O-N 3.14Å; D272-R274 VanDerWaalsContact C-N 3.27Å; D272-R274 PolarHBondContact O-N 3.05Å; R274-L277 PolarHBondContact O-N 3.35Å; R274-T278 HydrophobicContact CG-CG2 4.44Å; R274-T278 WeakPolarHBondContact O-CB 3.5Å; R274-T278 VanDerWaalsContact O-CG2 3.29Å; R274-T278 WeakPolarHBondContact O-CG2 3.38Å; R274-T278 PolarHBondContact O-N 2.94Å; R274-T278 PolarHBondContact O-OG1 3.3Å |
| 275 | E | 98.3 | Very high | 98 | Very high | 118 Ų | 118 | 93.3 Ų | 93.3 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.7 | -42.9 | 175.3 | -69.4 | -169.4 | -172.2 | 0 | 0 | 111.8 | A271 D272 L277 T278 T279 | A271-E275 PolarHBondContact O-N 2.93Å; D272-E275 PolarHBondContact O-N 3.03Å; D272-E275 VanDerWaalsContact O-N 3.11Å; E275-L277 PolarHBondContact O-N 3.44Å; E275-T278 WeakPolarHBondContact CA-OG1 3.42Å; E275-T278 PolarHBondContact O-N 2.96Å; E275-T278 PolarHBondContact O-OG1 3.45Å; E275-T279 WeakPolarHBondContact O-CB 3.43Å; E275-T279 WeakPolarHBondContact O-CG2 3.48Å; E275-T279 PolarHBondContact O-N 3.43Å; E275-T279 PolarHBondContact O-OG1 3.07Å |
| 276 | V | 98.4 | Very high | 98 | Very high | 96 Ų | 96 | 94 Ų | 94 | 58% | 0.582 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 172.8 | 176 | 0 | 0 | 0 | 0 | 111.8 | D272 T279 R280 | D272-V276 WeakPolarHBondContact O-CG2 3.46Å; D272-V276 PolarHBondContact O-N 3.33Å; V276-T279 PolarHBondContact O-OG1 3.12Å; V276-T279 VanDerWaalsContact O-OG1 3.06Å; V276-R280 WeakPolarHBondContact O-CB 3.4Å; V276-R280 PolarHBondContact O-N 3.38Å; V276-R280 VanDerWaalsContact O-N 3.07Å |
| 277 | L | 98.3 | Very high | 98 | Very high | 126 Ų | 126 | 94.2 Ų | 94.2 | 66% | 0.66 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.5 | -40.4 | 177.9 | -74.1 | 170.7 | 0 | 0 | 0 | 112.7 | F273 R274 E275 A281 | F273-L277 WeakPolarHBondContact O-CB 3.4Å; F273-L277 VanDerWaalsContact O-CG 3.26Å; F273-L277 WeakPolarHBondContact O-CG 3.37Å; F273-L277 PolarHBondContact O-N 2.98Å; R274-L277 PolarHBondContact O-N 3.35Å; E275-L277 PolarHBondContact O-N 3.44Å; L277-A281 VanDerWaalsContact O-CB 3.31Å; L277-A281 WeakPolarHBondContact O-CB 3.4Å; L277-A281 PolarHBondContact O-N 3.09Å |
| 278 | T | 98.4 | Very high | 98 | Very high | 77 Ų | 77 | 93.6 Ų | 93.6 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 177.9 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | R274 E275 R280 A281 T282 | R274-T278 HydrophobicContact CG-CG2 4.44Å; R274-T278 WeakPolarHBondContact O-CB 3.5Å; R274-T278 VanDerWaalsContact O-CG2 3.29Å; R274-T278 WeakPolarHBondContact O-CG2 3.38Å; R274-T278 PolarHBondContact O-N 2.94Å; R274-T278 PolarHBondContact O-OG1 3.3Å; E275-T278 WeakPolarHBondContact CA-OG1 3.42Å; E275-T278 PolarHBondContact O-N 2.96Å; E275-T278 PolarHBondContact O-OG1 3.45Å; T278-R280 PolarHBondContact O-N 3.19Å; T278-A281 PolarHBondContact O-N 2.97Å; T278-T282 PolarHBondContact O-N 3.38Å; T278-T282 PolarHBondContact O-OG1 2.92Å |
| 279 | T | 98 | Very high | 98 | Very high | 87 Ų | 87 | 93.5 Ų | 93.5 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | E275 V276 T282 Q283 | E275-T279 WeakPolarHBondContact O-CB 3.43Å; E275-T279 WeakPolarHBondContact O-CG2 3.48Å; E275-T279 PolarHBondContact O-N 3.43Å; E275-T279 PolarHBondContact O-OG1 3.07Å; V276-T279 PolarHBondContact O-OG1 3.12Å; V276-T279 VanDerWaalsContact O-OG1 3.06Å; T279-T282 PolarHBondContact O-OG1 3.48Å; T279-Q283 WeakPolarHBondContact O-CB 3.42Å; T279-Q283 PolarHBondContact O-N 3.31Å; T279-Q283 VanDerWaalsContact O-N 3.08Å |
| 280 | R | 98.3 | Very high | 98 | Very high | 125 Ų | 125 | 94.9 Ų | 94.9 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 171.5 | -174.1 | 55.6 | 172.9 | 163.8 | 2.6 | 112.4 | V276 T278 L284 | V276-R280 WeakPolarHBondContact O-CB 3.4Å; V276-R280 PolarHBondContact O-N 3.38Å; V276-R280 VanDerWaalsContact O-N 3.07Å; T278-R280 PolarHBondContact O-N 3.19Å; R280-L284 HydrophobicContact CG-CD1 4.2Å; R280-L284 WeakPolarHBondContact O-CB 3.34Å; R280-L284 WeakPolarHBondContact O-CG 3.21Å; R280-L284 PolarHBondContact O-N 2.85Å |
| 281 | A | 98.2 | Very high | 98 | Very high | 59 Ų | 59 | 92.6 Ų | 92.6 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L277 T278 S285 | L277-A281 VanDerWaalsContact O-CB 3.31Å; L277-A281 WeakPolarHBondContact O-CB 3.4Å; L277-A281 PolarHBondContact O-N 3.09Å; T278-A281 PolarHBondContact O-N 2.97Å; A281-S285 WeakPolarHBondContact O-CB 3.47Å; A281-S285 PolarHBondContact O-N 2.9Å |
| 282 | T | 98.1 | Very high | 98 | Very high | 73 Ų | 73 | 99.7 Ų | 99.7 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 173.8 | 52.8 | 0 | 0 | 0 | 0 | 111 | T278 T279 L284 S285 E286 | T278-T282 PolarHBondContact O-N 3.38Å; T278-T282 PolarHBondContact O-OG1 2.92Å; T279-T282 PolarHBondContact O-OG1 3.48Å; T282-L284 PolarHBondContact O-N 3.5Å; T282-S285 WeakPolarHBondContact O-CA 3.46Å; T282-S285 WeakPolarHBondContact O-CB 3.45Å; T282-S285 PolarHBondContact O-N 3.3Å; T282-S285 PolarHBondContact O-OG 2.96Å; T282-E286 WeakPolarHBondContact O-CG 3.44Å; T282-E286 PolarHBondContact O-N 3.39Å |
| 283 | Q | 98.3 | Very high | 97.9 | Very high | 91 Ų | 91 | 99 Ų | 99 | 43% | 0.425 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55.6 | -49.7 | 176.3 | -173.3 | -176.9 | 31.7 | 0 | 0 | 112.1 | T279 S285 E286 D287 | T279-Q283 WeakPolarHBondContact O-CB 3.42Å; T279-Q283 PolarHBondContact O-N 3.31Å; T279-Q283 VanDerWaalsContact O-N 3.08Å; Q283-S285 PolarHBondContact O-N 3.38Å; Q283-E286 WeakPolarHBondContact O-CB 3.32Å; Q283-E286 PolarHBondContact O-N 3.39Å; Q283-E286 VanDerWaalsContact O-N 3.12Å; Q283-D287 PolarHBondContact O-N 3Å |
| 284 | L | 98.1 | Very high | 97.9 | Very high | 76 Ų | 76 | 95.5 Ų | 95.5 | 40% | 0.398 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -30 | 177.5 | -71.3 | 172.1 | 0 | 0 | 0 | 112.6 | R280 T282 L288 | R280-L284 HydrophobicContact CG-CD1 4.2Å; R280-L284 WeakPolarHBondContact O-CB 3.34Å; R280-L284 WeakPolarHBondContact O-CG 3.21Å; R280-L284 PolarHBondContact O-N 2.85Å; T282-L284 PolarHBondContact O-N 3.5Å; L284-L288 VanDerWaalsContact O-CB 3.31Å; L284-L288 WeakPolarHBondContact O-CB 3.34Å; L284-L288 WeakPolarHBondContact O-CD1 3.38Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 3.15Å |
| 285 | S | 97.9 | Very high | 97.7 | Very high | 69 Ų | 69 | 95.1 Ų | 95.1 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.6 | -35.2 | 174.3 | 82.6 | 0 | 0 | 0 | 0 | 112.7 | A281 T282 Q283 A289 | A281-S285 WeakPolarHBondContact O-CB 3.47Å; A281-S285 PolarHBondContact O-N 2.9Å; T282-S285 WeakPolarHBondContact O-CA 3.46Å; T282-S285 WeakPolarHBondContact O-CB 3.45Å; T282-S285 PolarHBondContact O-N 3.3Å; T282-S285 PolarHBondContact O-OG 2.96Å; Q283-S285 PolarHBondContact O-N 3.38Å; S285-A289 WeakPolarHBondContact O-CB 3.48Å; S285-A289 PolarHBondContact O-N 2.82Å |
| 286 | E | 98.2 | Very high | 97.5 | Very high | 115 Ų | 115 | 94.6 Ų | 94.6 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.7 | -45.5 | 174.8 | -69.6 | 169.6 | -158.1 | 0 | 0 | 111.1 | T282 Q283 L288 A289 Q290 | T282-E286 WeakPolarHBondContact O-CG 3.44Å; T282-E286 PolarHBondContact O-N 3.39Å; Q283-E286 WeakPolarHBondContact O-CB 3.32Å; Q283-E286 PolarHBondContact O-N 3.39Å; Q283-E286 VanDerWaalsContact O-N 3.12Å; E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 2.63Å; E286-A289 WeakPolarHBondContact O-CB 3.35Å; E286-A289 PolarHBondContact O-N 2.93Å; E286-A289 VanDerWaalsContact O-N 3.14Å; E286-Q290 WeakPolarHBondContact O-CG 3.45Å; E286-Q290 PolarHBondContact O-N 2.85Å |
| 287 | D | 98 | Very high | 97.4 | Very high | 69 Ų | 69 | 95.1 Ų | 95.1 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 174.7 | -69.8 | -26.2 | 0 | 0 | 0 | 111.3 | Q283 A289 Q290 L291 | Q283-D287 PolarHBondContact O-N 3Å; D287-A289 VanDerWaalsContact C-N 3.33Å; D287-A289 PolarHBondContact O-N 2.85Å; D287-Q290 PolarHBondContact O-N 3.27Å; D287-L291 VanDerWaalsContact O-CB 3.28Å; D287-L291 WeakPolarHBondContact O-CB 3.45Å; D287-L291 PolarHBondContact O-N 2.89Å |
| 288 | L | 98 | Very high | 97.1 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 47% | 0.466 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -32.6 | 175.7 | -76.6 | 171.7 | 0 | 0 | 0 | 113 | L284 E286 R292 | L284-L288 VanDerWaalsContact O-CB 3.31Å; L284-L288 WeakPolarHBondContact O-CB 3.34Å; L284-L288 WeakPolarHBondContact O-CD1 3.38Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 3.15Å; E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 2.63Å; L288-R292 WeakPolarHBondContact O-CB 3.2Å; L288-R292 WeakPolarHBondContact O-CD 3.48Å; L288-R292 WeakPolarHBondContact O-CG 3.42Å; L288-R292 PolarHBondContact O-N 2.94Å; L288-R292 VanDerWaalsContact O-N 3.13Å |
| 289 | A | 97.1 | Very high | 96.9 | Very high | 51 Ų | 51 | 96 Ų | 96 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -49.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | S285 E286 D287 L291 R292 D293 | S285-A289 WeakPolarHBondContact O-CB 3.48Å; S285-A289 PolarHBondContact O-N 2.82Å; E286-A289 WeakPolarHBondContact O-CB 3.35Å; E286-A289 PolarHBondContact O-N 2.93Å; E286-A289 VanDerWaalsContact O-N 3.14Å; D287-A289 VanDerWaalsContact C-N 3.33Å; D287-A289 PolarHBondContact O-N 2.85Å; A289-L291 VanDerWaalsContact C-N 3.33Å; A289-L291 PolarHBondContact O-N 3.42Å; A289-R292 PolarHBondContact O-N 3.44Å; A289-D293 WeakPolarHBondContact O-CB 3.5Å; A289-D293 PolarHBondContact O-N 2.84Å |
| 290 | Q | 97.6 | Very high | 96.5 | Very high | 124 Ų | 124 | 96.2 Ų | 96.2 | 58% | 0.579 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.3 | -43.9 | 176.6 | -69.6 | 175.6 | 65.4 | 0 | 0 | 112.2 | E286 D287 D293 A294 | E286-Q290 WeakPolarHBondContact O-CG 3.45Å; E286-Q290 PolarHBondContact O-N 2.85Å; D287-Q290 PolarHBondContact O-N 3.27Å; Q290-D293 WeakPolarHBondContact O-CB 3.36Å; Q290-D293 PolarHBondContact O-N 3.48Å; Q290-A294 PolarHBondContact O-N 3.4Å |
| 291 | L | 97.4 | Very high | 96.1 | Very high | 92 Ų | 92 | 95.3 Ų | 95.3 | 48% | 0.482 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 179.6 | -176.2 | 60.4 | 0 | 0 | 0 | 112.3 | D287 A289 D293 A294 Y295 | D287-L291 VanDerWaalsContact O-CB 3.28Å; D287-L291 WeakPolarHBondContact O-CB 3.45Å; D287-L291 PolarHBondContact O-N 2.89Å; A289-L291 VanDerWaalsContact C-N 3.33Å; A289-L291 PolarHBondContact O-N 3.42Å; L291-D293 VanDerWaalsContact C-N 3.33Å; L291-A294 PolarHBondContact O-N 3.36Å; L291-Y295 HydrophobicContact CD1-CD2 3.93Å; L291-Y295 HydrophobicContact CD1-CE2 3.67Å; L291-Y295 HydrophobicContact CD2-CE2 4.3Å; L291-Y295 HydrophobicContact CG-CD2 3.91Å; L291-Y295 HydrophobicContact CG-CE2 3.82Å; L291-Y295 WeakPolarHBondContact O-CD2 3.32Å; L291-Y295 PolarHBondContact O-N 3.02Å |
| 292 | R | 97.5 | Very high | 95.5 | Very high | 177 Ų | 177 | 97 Ų | 97 | 67% | 0.668 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 172.6 | -77.2 | 167.2 | 178.9 | 160.9 | 1 | 111.3 | L288 A289 A294 Y295 Q296 | L288-R292 WeakPolarHBondContact O-CB 3.2Å; L288-R292 WeakPolarHBondContact O-CD 3.48Å; L288-R292 WeakPolarHBondContact O-CG 3.42Å; L288-R292 PolarHBondContact O-N 2.94Å; L288-R292 VanDerWaalsContact O-N 3.13Å; A289-R292 PolarHBondContact O-N 3.44Å; R292-A294 VanDerWaalsContact C-N 3.35Å; R292-A294 PolarHBondContact O-N 3.42Å; R292-Y295 PolarHBondContact O-N 3.21Å; R292-Q296 WeakPolarHBondContact O-CB 3.36Å; R292-Q296 PolarHBondContact O-N 3Å |
| 293 | D | 96.7 | Very high | 95 | Very high | 90 Ų | 90 | 100.8 Ų | 100.8 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 176.4 | -114.8 | 45.1 | 0 | 0 | 0 | 112.5 | A289 Q290 L291 Q296 K297 | A289-D293 WeakPolarHBondContact O-CB 3.5Å; A289-D293 PolarHBondContact O-N 2.84Å; Q290-D293 WeakPolarHBondContact O-CB 3.36Å; Q290-D293 PolarHBondContact O-N 3.48Å; L291-D293 VanDerWaalsContact C-N 3.33Å; D293-Q296 PolarHBondContact O-N 2.94Å; D293-K297 WeakPolarHBondContact O-CD 3.26Å; D293-K297 WeakPolarHBondContact O-CE 3.13Å; D293-K297 VanDerWaalsContact O-CG 3.25Å; D293-K297 WeakPolarHBondContact O-CG 3.49Å; D293-K297 PolarHBondContact O-N 3.25Å; D293-K297 VanDerWaalsContact O-N 3.17Å; D293-K297 IonicContact OD2-NZ 2.94Å; D293-K297 PolarHBondContact OD2-NZ 2.88Å |
| 294 | A | 96.4 | Very high | 94.2 | Very high | 46 Ų | 46 | 102.6 Ų | 102.6 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q290 L291 R292 Q296 K297 Q298 | Q290-A294 PolarHBondContact O-N 3.4Å; L291-A294 PolarHBondContact O-N 3.36Å; R292-A294 VanDerWaalsContact C-N 3.35Å; R292-A294 PolarHBondContact O-N 3.42Å; A294-Q296 VanDerWaalsContact C-N 3.34Å; A294-Q296 PolarHBondContact O-N 3.41Å; A294-K297 PolarHBondContact O-N 3.33Å; A294-Q298 PolarHBondContact O-N 3.13Å |
| 295 | Y | 93.6 | Very high | 93.1 | Very high | 148 Ų | 148 | 105.1 Ų | 105.1 | 58% | 0.58 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -37.6 | 174.8 | -87.9 | -62.3 | 0 | 0 | 0 | 112.8 | L291 R292 Q298 K299 | L291-Y295 HydrophobicContact CD1-CD2 3.93Å; L291-Y295 HydrophobicContact CD1-CE2 3.67Å; L291-Y295 HydrophobicContact CD2-CE2 4.3Å; L291-Y295 HydrophobicContact CG-CD2 3.91Å; L291-Y295 HydrophobicContact CG-CE2 3.82Å; L291-Y295 WeakPolarHBondContact O-CD2 3.32Å; L291-Y295 PolarHBondContact O-N 3.02Å; R292-Y295 PolarHBondContact O-N 3.21Å; Y295-Q298 PolarHBondContact O-N 3.23Å; Y295-K299 WeakPolarHBondContact O-CB 3.3Å; Y295-K299 PolarHBondContact O-N 2.67Å |
| 296 | Q | 95.6 | Very high | 91.7 | Very high | 107 Ų | 107 | 109 Ų | 109 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.3 | -49 | 175.2 | -163 | 83.8 | -26.4 | 0 | 0 | 110.4 | R292 D293 A294 K299 E300 | R292-Q296 WeakPolarHBondContact O-CB 3.36Å; R292-Q296 PolarHBondContact O-N 3Å; D293-Q296 PolarHBondContact O-N 2.94Å; A294-Q296 VanDerWaalsContact C-N 3.34Å; A294-Q296 PolarHBondContact O-N 3.41Å; Q296-K299 WeakPolarHBondContact O-CB 3.43Å; Q296-K299 PolarHBondContact O-N 3.09Å; Q296-E300 WeakPolarHBondContact O-CG 3.31Å; Q296-E300 PolarHBondContact O-N 3.43Å; Q296-E300 VanDerWaalsContact O-N 3.08Å |
| 297 | K | 94.8 | Very high | 90 | Very high | 107 Ų | 107 | 111.6 Ų | 111.6 | 47% | 0.465 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 177.7 | -66.9 | 156.3 | -162.7 | 158.9 | 0 | 112.1 | D293 A294 E300 Q301 | D293-K297 WeakPolarHBondContact O-CD 3.26Å; D293-K297 WeakPolarHBondContact O-CE 3.13Å; D293-K297 VanDerWaalsContact O-CG 3.25Å; D293-K297 WeakPolarHBondContact O-CG 3.49Å; D293-K297 PolarHBondContact O-N 3.25Å; D293-K297 VanDerWaalsContact O-N 3.17Å; D293-K297 IonicContact OD2-NZ 2.94Å; D293-K297 PolarHBondContact OD2-NZ 2.88Å; A294-K297 PolarHBondContact O-N 3.33Å; K297-E300 PolarHBondContact O-N 2.96Å; K297-Q301 WeakPolarHBondContact O-CG 3.27Å; K297-Q301 PolarHBondContact O-N 3.04Å |
| 298 | Q | 93.6 | Very high | 88 | Confident | 106 Ų | 106 | 111.1 Ų | 111.1 | 50% | 0.495 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.8 | -80 | -168.1 | -8.4 | 0 | 0 | 112.8 | A294 Y295 E300 Q301 L302 | A294-Q298 PolarHBondContact O-N 3.13Å; Y295-Q298 PolarHBondContact O-N 3.23Å; Q298-E300 VanDerWaalsContact C-N 3.27Å; Q298-E300 PolarHBondContact O-N 3.36Å; Q298-Q301 PolarHBondContact O-N 3.21Å; Q298-L302 WeakPolarHBondContact O-CB 3.31Å; Q298-L302 WeakPolarHBondContact O-CG 3.4Å; Q298-L302 PolarHBondContact O-N 3.21Å |
| 299 | K | 92.9 | Very high | 85.5 | Confident | 114 Ų | 114 | 112.9 Ų | 112.9 | 50% | 0.496 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.8 | -31.8 | 177.7 | 179.9 | 177.8 | -179.9 | 178.5 | 0 | 112.3 | Y295 Q296 R303 | Y295-K299 WeakPolarHBondContact O-CB 3.3Å; Y295-K299 PolarHBondContact O-N 2.67Å; Q296-K299 WeakPolarHBondContact O-CB 3.43Å; Q296-K299 PolarHBondContact O-N 3.09Å; K299-R303 WeakPolarHBondContact O-CD 3.48Å; K299-R303 VanDerWaalsContact O-CG 3.29Å; K299-R303 WeakPolarHBondContact O-CG 3.48Å; K299-R303 PolarHBondContact O-N 3.36Å |
| 300 | E | 90.9 | Very high | 83.6 | Confident | 92 Ų | 92 | 116.7 Ų | 116.7 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.2 | -44.1 | 172.5 | -71.6 | 162.8 | -170.1 | 0 | 0 | 111.6 | Q296 K297 Q298 R303 Q304 | Q296-E300 WeakPolarHBondContact O-CG 3.31Å; Q296-E300 PolarHBondContact O-N 3.43Å; Q296-E300 VanDerWaalsContact O-N 3.08Å; K297-E300 PolarHBondContact O-N 2.96Å; Q298-E300 VanDerWaalsContact C-N 3.27Å; Q298-E300 PolarHBondContact O-N 3.36Å; E300-R303 PolarHBondContact O-N 3.13Å; E300-Q304 WeakPolarHBondContact O-CG 3.45Å; E300-Q304 PolarHBondContact O-N 3.02Å |
| 301 | Q | 90 | Very high | 81.1 | Confident | 106 Ų | 106 | 115.7 Ų | 115.7 | 50% | 0.495 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62 | -43.4 | 174.2 | -70.5 | 170.9 | -4 | 0 | 0 | 112.8 | K297 Q298 R303 Q304 Q305 | K297-Q301 WeakPolarHBondContact O-CG 3.27Å; K297-Q301 PolarHBondContact O-N 3.04Å; Q298-Q301 PolarHBondContact O-N 3.21Å; Q301-R303 VanDerWaalsContact C-N 3.32Å; Q301-R303 PolarHBondContact O-N 3.5Å; Q301-Q304 WeakPolarHBondContact O-CB 3.41Å; Q301-Q304 PolarHBondContact O-N 3.28Å; Q301-Q305 WeakPolarHBondContact O-CG 3.4Å; Q301-Q305 PolarHBondContact O-N 2.87Å |
| 302 | L | 85.5 | Confident | 79 | Confident | 94 Ų | 94 | 120.3 Ų | 120.3 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.2 | -30.8 | 179.3 | -75.1 | 171 | 0 | 0 | 0 | 112.4 | Q298 Q305 L306 | Q298-L302 WeakPolarHBondContact O-CB 3.31Å; Q298-L302 WeakPolarHBondContact O-CG 3.4Å; Q298-L302 PolarHBondContact O-N 3.21Å; L302-Q305 PolarHBondContact O-N 3.4Å; L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 PolarHBondContact O-N 2.88Å |
| 303 | R | 86.6 | Confident | 77.1 | Confident | 153 Ų | 153 | 120.6 Ų | 120.6 | 58% | 0.577 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62 | -47.2 | 169.5 | -80.5 | 166.9 | 165.5 | 169.1 | -10.4 | 111.3 | K299 E300 Q301 Q305 L306 E307 | K299-R303 WeakPolarHBondContact O-CD 3.48Å; K299-R303 VanDerWaalsContact O-CG 3.29Å; K299-R303 WeakPolarHBondContact O-CG 3.48Å; K299-R303 PolarHBondContact O-N 3.36Å; E300-R303 PolarHBondContact O-N 3.13Å; Q301-R303 VanDerWaalsContact C-N 3.32Å; Q301-R303 PolarHBondContact O-N 3.5Å; R303-Q305 PolarHBondContact O-N 3.38Å; R303-L306 PolarHBondContact O-N 3.27Å; R303-E307 PolarHBondContact O-N 2.9Å |
| 304 | Q | 81.4 | Confident | 75.2 | Confident | 130 Ų | 130 | 121.9 Ų | 121.9 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.5 | -30.4 | 176.4 | -63.2 | 161.4 | 10 | 0 | 0 | 112.5 | E300 Q301 | E300-Q304 WeakPolarHBondContact O-CG 3.45Å; E300-Q304 PolarHBondContact O-N 3.02Å; Q301-Q304 WeakPolarHBondContact O-CB 3.41Å; Q301-Q304 PolarHBondContact O-N 3.28Å |
| 305 | Q | 75.6 | Confident | 73.6 | Confident | 128 Ų | 128 | 123 Ų | 123 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -79.9 | -32.5 | 175.7 | -69.9 | 179.8 | 17.4 | 0 | 0 | 113.5 | Q301 L302 R303 E307 A308 | Q301-Q305 WeakPolarHBondContact O-CG 3.4Å; Q301-Q305 PolarHBondContact O-N 2.87Å; L302-Q305 PolarHBondContact O-N 3.4Å; R303-Q305 PolarHBondContact O-N 3.38Å; Q305-E307 PolarHBondContact O-N 2.91Å; Q305-A308 WeakPolarHBondContact O-CB 3.17Å; Q305-A308 PolarHBondContact O-N 3.25Å |
| 306 | L | 67.4 | Low | 72.4 | Confident | 152 Ų | 152 | 123.9 Ų | 123.9 | 80% | 0.796 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.2 | -16.9 | 174.3 | -99.2 | 148.8 | 0 | 0 | 0 | 113.3 | L302 R303 A308 | L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 PolarHBondContact O-N 2.88Å; R303-L306 PolarHBondContact O-N 3.27Å; L306-A308 VanDerWaalsContact C-N 3.26Å |
| 307 | E | 64.4 | Low | 71.2 | Confident | 169 Ų | 169 | 123.7 Ų | 123.7 | 79% | 0.79 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -3 | 169.2 | -67.4 | 176.6 | 142.5 | 0 | 0 | 113 | R303 Q305 | R303-E307 PolarHBondContact O-N 2.9Å; Q305-E307 PolarHBondContact O-N 2.91Å |
| 308 | A | 54.1 | Low | 70.2 | Confident | 59 Ų | 59 | 124.9 Ų | 124.9 | 49% | 0.488 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -105.6 | 144.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q305 L306 | Q305-A308 WeakPolarHBondContact O-CB 3.17Å; Q305-A308 PolarHBondContact O-N 3.25Å; L306-A308 VanDerWaalsContact C-N 3.26Å |
| 309 | P | 47.4 | Very low | 69.5 | Low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | trans | -73.8 | 136.4 | -176.1 | -17.7 | 32.3 | 0 | 0 | 0 | 114.2 | ||||
| 310 | P | 55.7 | Low | 69 | Low | 131 Ų | 131 | 126 Ų | 126 | 85% | 0.851 | 64% | 0.642 | S | S | * | * | trans | -86.6 | 152.7 | 179.2 | 34.2 | -35.5 | 0 | 0 | 0 | 113.7 | ||||
| 311 | S | 46 | Very low | 68.5 | Low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | trans | -139.9 | 118.9 | 172.1 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 312 | Q | 53.8 | Low | 68.3 | Low | 188 Ų | 188 | 129.5 Ų | 129.5 | 88% | 0.879 | 66% | 0.656 | S | S | * | * | trans | 31.3 | 101.8 | 146.4 | -163 | 169.9 | 47.2 | 0 | 0 | 118 | ||||
| 313 | R | 55.9 | Low | 68.5 | Low | 183 Ų | 183 | 133.1 Ų | 133.1 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | trans | -129.3 | -1.1 | 176.2 | -74.1 | -172.1 | 175.7 | -176.2 | -0.1 | 115.6 | G315 R316 F317 | R313-G315 VanDerWaalsContact C-N 3.3Å; R313-G315 PolarHBondContact O-N 3.27Å; R313-R316 PolarHBondContact O-N 2.98Å; R313-F317 HydrophobicContact CB-CE2 3.82Å; R313-F317 HydrophobicContact CB-CZ 3.67Å | ||
| 314 | D | 56.6 | Low | 68.7 | Low | 117 Ų | 117 | 130.1 Ų | 130.1 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -22.6 | -147 | -45.9 | -48 | 0 | 0 | 0 | 115.5 | R316 | D314-R316 VanDerWaalsContact C-N 3.33Å; D314-R316 PolarHBondContact O-N 3.17Å |
| 315 | G | 63.6 | Low | 69.1 | Low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -18.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R313 | R313-G315 VanDerWaalsContact C-N 3.3Å; R313-G315 PolarHBondContact O-N 3.27Å |
| 316 | R | 68.4 | Low | 69.9 | Low | 168 Ų | 168 | 122.6 Ų | 122.6 | 63% | 0.634 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -33.8 | -176.9 | -73.4 | -113.9 | -81.2 | -92.9 | -1.7 | 113.2 | R313 D314 L318 Q319 E320 | R313-R316 PolarHBondContact O-N 2.98Å; D314-R316 VanDerWaalsContact C-N 3.33Å; D314-R316 PolarHBondContact O-N 3.17Å; R316-L318 VanDerWaalsContact C-N 3.26Å; R316-L318 PolarHBondContact O-N 3.33Å; R316-L318 VanDerWaalsContact O-N 3.16Å; R316-Q319 PolarHBondContact O-N 2.98Å; R316-Q319 VanDerWaalsContact O-N 3.15Å; R316-E320 IonicContact NE-OE1 3.5Å; R316-E320 PolarHBondContact NE-OE1 3.47Å; R316-E320 WeakPolarHBondContact O-CG 3.47Å; R316-E320 PolarHBondContact O-N 3.2Å |
| 317 | F | 71.6 | Confident | 71.1 | Confident | 102 Ų | 102 | 120 Ų | 120 | 45% | 0.447 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -58.3 | -32.3 | -175.8 | -59.1 | -57.1 | 0 | 0 | 0 | 114 | R313 S321 | R313-F317 HydrophobicContact CB-CE2 3.82Å; R313-F317 HydrophobicContact CB-CZ 3.67Å; F317-S321 WeakPolarHBondContact O-CA 3.36Å; F317-S321 WeakPolarHBondContact O-CB 3.45Å; F317-S321 PolarHBondContact O-N 3.24Å |
| 318 | L | 72.7 | Confident | 72.5 | Confident | 133 Ų | 133 | 117.9 Ų | 117.9 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.3 | -33 | -179.5 | -67.9 | 176 | 0 | 0 | 0 | 113.2 | R316 R322 | R316-L318 VanDerWaalsContact C-N 3.26Å; R316-L318 PolarHBondContact O-N 3.33Å; R316-L318 VanDerWaalsContact O-N 3.16Å; L318-R322 PolarHBondContact O-N 2.96Å |
| 319 | Q | 78.3 | Confident | 74.4 | Confident | 157 Ų | 157 | 121.2 Ų | 121.2 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.8 | -38.6 | 174.7 | -170.6 | 174.9 | 10 | 0 | 0 | 111 | R316 R323 | R316-Q319 PolarHBondContact O-N 2.98Å; R316-Q319 VanDerWaalsContact O-N 3.15Å; Q319-R323 PolarHBondContact O-N 3.02Å |
| 320 | E | 83.4 | Confident | 76.6 | Confident | 86 Ų | 86 | 120 Ų | 120 | 40% | 0.402 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.3 | -38.3 | 174.8 | -69.6 | 165.8 | -179.7 | 0 | 0 | 111.3 | R316 R323 L324 | R316-E320 IonicContact NE-OE1 3.5Å; R316-E320 PolarHBondContact NE-OE1 3.47Å; R316-E320 WeakPolarHBondContact O-CG 3.47Å; R316-E320 PolarHBondContact O-N 3.2Å; E320-R323 PolarHBondContact O-N 2.92Å; E320-L324 PolarHBondContact O-N 3.05Å |
| 321 | S | 79.9 | Confident | 78.6 | Confident | 64 Ų | 64 | 118.4 Ų | 118.4 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.4 | -51.9 | 174.6 | 169.8 | 0 | 0 | 0 | 0 | 112.4 | F317 R323 L324 S325 | F317-S321 WeakPolarHBondContact O-CA 3.36Å; F317-S321 WeakPolarHBondContact O-CB 3.45Å; F317-S321 PolarHBondContact O-N 3.24Å; S321-R323 VanDerWaalsContact C-N 3.26Å; S321-R323 PolarHBondContact O-N 3.44Å; S321-L324 WeakPolarHBondContact O-CA 3.2Å; S321-L324 WeakPolarHBondContact O-CB 3.36Å; S321-L324 PolarHBondContact O-N 2.96Å; S321-S325 PolarHBondContact O-N 3.44Å; S321-S325 PolarHBondContact O-OG 3.18Å |
| 322 | R | 85.1 | Confident | 80.9 | Confident | 207 Ų | 207 | 119.5 Ų | 119.5 | 78% | 0.781 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60 | -36 | 176.7 | -73.5 | -177.9 | 178.8 | -176.1 | -0.4 | 112.7 | L318 A326 | L318-R322 PolarHBondContact O-N 2.96Å; R322-A326 PolarHBondContact O-N 2.85Å |
| 323 | R | 90.6 | Very high | 82.8 | Confident | 171 Ų | 171 | 112.9 Ų | 112.9 | 65% | 0.645 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.8 | -44.1 | 173.4 | 179.7 | -176.3 | 172.6 | -179 | 1.3 | 111.3 | Q319 E320 S321 A326 Q327 | Q319-R323 PolarHBondContact O-N 3.02Å; E320-R323 PolarHBondContact O-N 2.92Å; S321-R323 VanDerWaalsContact C-N 3.26Å; S321-R323 PolarHBondContact O-N 3.44Å; R323-A326 PolarHBondContact O-N 3.42Å; R323-Q327 WeakPolarHBondContact O-CG 3.48Å; R323-Q327 PolarHBondContact O-N 3.1Å; R323-Q327 VanDerWaalsContact O-N 3.07Å |
| 324 | L | 90.8 | Very high | 84.7 | Confident | 89 Ų | 89 | 110 Ų | 110 | 47% | 0.466 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.6 | -45.1 | 176.3 | -114 | 65.2 | 0 | 0 | 0 | 111.7 | E320 S321 A326 Q327 F328 | E320-L324 PolarHBondContact O-N 3.05Å; S321-L324 WeakPolarHBondContact O-CA 3.2Å; S321-L324 WeakPolarHBondContact O-CB 3.36Å; S321-L324 PolarHBondContact O-N 2.96Å; L324-A326 PolarHBondContact O-N 2.94Å; L324-Q327 CarbonylContact O-C 3.57Å; L324-Q327 PolarHBondContact O-N 2.76Å; L324-Q327 VanDerWaalsContact O-N 3.09Å; L324-F328 HydrophobicContact CB-CD2 4.4Å; L324-F328 HydrophobicContact CB-CE2 4.21Å; L324-F328 HydrophobicContact CD2-CE2 4.13Å; L324-F328 HydrophobicContact CG-CE2 4.03Å; L324-F328 WeakPolarHBondContact O-CD2 3.33Å; L324-F328 PolarHBondContact O-N 3.18Å |
| 325 | S | 89.4 | Confident | 86.5 | Confident | 57 Ų | 57 | 107.5 Ų | 107.5 | 40% | 0.399 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -55 | -50.9 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | S321 Q327 F328 E329 | S321-S325 PolarHBondContact O-N 3.44Å; S321-S325 PolarHBondContact O-OG 3.18Å; S325-Q327 VanDerWaalsContact C-N 3.28Å; S325-Q327 PolarHBondContact O-N 3.4Å; S325-F328 PolarHBondContact O-N 2.88Å; S325-F328 VanDerWaalsContact O-N 3.12Å; S325-E329 WeakPolarHBondContact O-CG 3.42Å; S325-E329 PolarHBondContact O-N 3.02Å |
| 326 | A | 92 | Very high | 88 | Confident | 44 Ų | 44 | 111.4 Ų | 111.4 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -31.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R322 R323 L324 N330 | R322-A326 PolarHBondContact O-N 2.85Å; R323-A326 PolarHBondContact O-N 3.42Å; L324-A326 PolarHBondContact O-N 2.94Å; A326-N330 WeakPolarHBondContact O-CB 3.28Å; A326-N330 VanDerWaalsContact O-CG 3.31Å; A326-N330 PolarHBondContact O-N 3.45Å; A326-N330 PolarHBondContact O-OD1 2.93Å |
| 327 | Q | 94.1 | Very high | 89.3 | Confident | 97 Ų | 97 | 108.5 Ų | 108.5 | 45% | 0.453 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.8 | -34.2 | 173.8 | -70.9 | -178.2 | -70.3 | 0 | 0 | 112.5 | R323 L324 S325 L331 | R323-Q327 WeakPolarHBondContact O-CG 3.48Å; R323-Q327 PolarHBondContact O-N 3.1Å; R323-Q327 VanDerWaalsContact O-N 3.07Å; L324-Q327 CarbonylContact O-C 3.57Å; L324-Q327 PolarHBondContact O-N 2.76Å; L324-Q327 VanDerWaalsContact O-N 3.09Å; S325-Q327 VanDerWaalsContact C-N 3.28Å; S325-Q327 PolarHBondContact O-N 3.4Å; Q327-L331 VanDerWaalsContact O-CB 3.28Å; Q327-L331 WeakPolarHBondContact O-CB 3.38Å; Q327-L331 PolarHBondContact O-N 3.27Å |
| 328 | F | 93.4 | Very high | 90.4 | Very high | 124 Ų | 124 | 104.9 Ų | 104.9 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71 | -41.1 | 171.5 | -74.4 | -63 | 0 | 0 | 0 | 112.1 | L324 S325 N330 L331 M332 | L324-F328 HydrophobicContact CB-CD2 4.4Å; L324-F328 HydrophobicContact CB-CE2 4.21Å; L324-F328 HydrophobicContact CD2-CE2 4.13Å; L324-F328 HydrophobicContact CG-CE2 4.03Å; L324-F328 WeakPolarHBondContact O-CD2 3.33Å; L324-F328 PolarHBondContact O-N 3.18Å; S325-F328 PolarHBondContact O-N 2.88Å; S325-F328 VanDerWaalsContact O-N 3.12Å; F328-N330 VanDerWaalsContact C-N 3.35Å; F328-N330 PolarHBondContact O-N 2.77Å; F328-L331 PolarHBondContact O-N 2.98Å; F328-M332 WeakPolarHBondContact O-CB 3.38Å; F328-M332 VanDerWaalsContact O-CG 3.26Å; F328-M332 WeakPolarHBondContact O-CG 3.37Å; F328-M332 PolarHBondContact O-N 3.06Å |
| 329 | E | 94.2 | Very high | 91.5 | Very high | 130 Ų | 130 | 103.2 Ų | 103.2 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.5 | -46.1 | 175.1 | -73.9 | 163.1 | -166.9 | 0 | 0 | 111.2 | S325 M332 A333 | S325-E329 WeakPolarHBondContact O-CG 3.42Å; S325-E329 PolarHBondContact O-N 3.02Å; E329-M332 PolarHBondContact O-N 2.89Å; E329-A333 PolarHBondContact O-N 3.3Å |
| 330 | N | 94 | Very high | 92.3 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 173.3 | -72.5 | 7.5 | 0 | 0 | 0 | 112.1 | A326 F328 M332 A333 E334 | A326-N330 WeakPolarHBondContact O-CB 3.28Å; A326-N330 VanDerWaalsContact O-CG 3.31Å; A326-N330 PolarHBondContact O-N 3.45Å; A326-N330 PolarHBondContact O-OD1 2.93Å; F328-N330 VanDerWaalsContact C-N 3.35Å; F328-N330 PolarHBondContact O-N 2.77Å; N330-M332 VanDerWaalsContact C-N 3.28Å; N330-M332 PolarHBondContact O-N 2.97Å; N330-A333 PolarHBondContact O-N 3.5Å; N330-A333 VanDerWaalsContact O-N 3.11Å; N330-E334 WeakPolarHBondContact O-CB 3.35Å; N330-E334 VanDerWaalsContact O-CG 3.31Å; N330-E334 WeakPolarHBondContact O-CG 3.27Å; N330-E334 PolarHBondContact O-N 3.29Å |
| 331 | L | 96.2 | Very high | 93 | Very high | 98 Ų | 98 | 101.9 Ų | 101.9 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -38.6 | 179.3 | -178.7 | 67.3 | 0 | 0 | 0 | 112.2 | Q327 F328 S335 | Q327-L331 VanDerWaalsContact O-CB 3.28Å; Q327-L331 WeakPolarHBondContact O-CB 3.38Å; Q327-L331 PolarHBondContact O-N 3.27Å; F328-L331 PolarHBondContact O-N 2.98Å; L331-S335 VanDerWaalsContact O-CB 3.27Å; L331-S335 WeakPolarHBondContact O-CB 3.44Å; L331-S335 PolarHBondContact O-N 3.45Å; L331-S335 PolarHBondContact O-OG 3.25Å |
| 332 | M | 94.8 | Very high | 93.7 | Very high | 127 Ų | 127 | 104.7 Ų | 104.7 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.3 | -42.1 | 175.5 | -70.6 | -56.5 | -54 | 0 | 0 | 111.3 | F328 E329 N330 S335 R336 | F328-M332 WeakPolarHBondContact O-CB 3.38Å; F328-M332 VanDerWaalsContact O-CG 3.26Å; F328-M332 WeakPolarHBondContact O-CG 3.37Å; F328-M332 PolarHBondContact O-N 3.06Å; E329-M332 PolarHBondContact O-N 2.89Å; N330-M332 VanDerWaalsContact C-N 3.28Å; N330-M332 PolarHBondContact O-N 2.97Å; M332-S335 WeakPolarHBondContact CA-OG 3.24Å; M332-S335 PolarHBondContact O-N 3.19Å; M332-S335 PolarHBondContact O-OG 2.99Å; M332-R336 PolarHBondContact O-N 3.01Å |
| 333 | A | 94.6 | Very high | 94.2 | Very high | 49 Ų | 49 | 101.1 Ų | 101.1 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E329 N330 S335 R336 Q337 | E329-A333 PolarHBondContact O-N 3.3Å; N330-A333 PolarHBondContact O-N 3.5Å; N330-A333 VanDerWaalsContact O-N 3.11Å; A333-S335 VanDerWaalsContact C-N 3.35Å; A333-S335 PolarHBondContact O-N 3.34Å; A333-R336 PolarHBondContact O-N 3.16Å; A333-Q337 WeakPolarHBondContact O-CB 3.29Å; A333-Q337 PolarHBondContact O-N 2.94Å |
| 334 | E | 95.4 | Very high | 94.6 | Very high | 123 Ų | 123 | 99.1 Ų | 99.1 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.7 | -42.8 | 174.4 | -71.7 | 165.8 | -160.2 | 0 | 0 | 111.1 | N330 R336 Q337 G338 | N330-E334 WeakPolarHBondContact O-CB 3.35Å; N330-E334 VanDerWaalsContact O-CG 3.31Å; N330-E334 WeakPolarHBondContact O-CG 3.27Å; N330-E334 PolarHBondContact O-N 3.29Å; E334-R336 PolarHBondContact O-N 3.38Å; E334-Q337 PolarHBondContact O-N 3.46Å; E334-G338 PolarHBondContact O-N 2.87Å |
| 335 | S | 93.4 | Very high | 94.9 | Very high | 64 Ų | 64 | 97.7 Ų | 97.7 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -34.8 | 176.8 | 74.1 | 0 | 0 | 0 | 0 | 113.3 | L331 M332 A333 L339 | L331-S335 VanDerWaalsContact O-CB 3.27Å; L331-S335 WeakPolarHBondContact O-CB 3.44Å; L331-S335 PolarHBondContact O-N 3.45Å; L331-S335 PolarHBondContact O-OG 3.25Å; M332-S335 WeakPolarHBondContact CA-OG 3.24Å; M332-S335 PolarHBondContact O-N 3.19Å; M332-S335 PolarHBondContact O-OG 2.99Å; A333-S335 VanDerWaalsContact C-N 3.35Å; A333-S335 PolarHBondContact O-N 3.34Å; S335-L339 WeakPolarHBondContact O-CB 3.47Å; S335-L339 PolarHBondContact O-N 3.29Å; S335-L339 VanDerWaalsContact O-N 3.1Å |
| 336 | R | 94.8 | Very high | 95.3 | Very high | 152 Ų | 152 | 99.7 Ų | 99.7 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.5 | -44.5 | 176.2 | -163 | -168.5 | 72.1 | -138.2 | -10 | 110.7 | M332 A333 E334 L339 E340 | M332-R336 PolarHBondContact O-N 3.01Å; A333-R336 PolarHBondContact O-N 3.16Å; E334-R336 PolarHBondContact O-N 3.38Å; R336-L339 WeakPolarHBondContact O-CB 3.42Å; R336-L339 PolarHBondContact O-N 2.98Å; R336-E340 VanDerWaalsContact CD-OE1 3.31Å; R336-E340 WeakPolarHBondContact CD-OE1 3.47Å; R336-E340 WeakPolarHBondContact CG-OE1 3.43Å; R336-E340 IonicContact CZ-OE1 3.63Å; R336-E340 IonicContact NE-OE1 3.54Å; R336-E340 PolarHBondContact NE-OE1 3.24Å; R336-E340 IonicContact NE-OE2 3.41Å; R336-E340 WeakPolarHBondContact O-CB 3.45Å; R336-E340 VanDerWaalsContact O-CG 3.27Å; R336-E340 WeakPolarHBondContact O-CG 3.42Å; R336-E340 PolarHBondContact O-N 2.92Å |
| 337 | Q | 96.3 | Very high | 95.5 | Very high | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.4 | -175.7 | -179.5 | -26.8 | 0 | 0 | 111.5 | A333 E334 L339 E340 E341 | A333-Q337 WeakPolarHBondContact O-CB 3.29Å; A333-Q337 PolarHBondContact O-N 2.94Å; E334-Q337 PolarHBondContact O-N 3.46Å; Q337-L339 VanDerWaalsContact C-N 3.3Å; Q337-L339 PolarHBondContact O-N 3.46Å; Q337-E340 PolarHBondContact O-N 3.24Å; Q337-E341 HydrophobicContact CG-CG 4.4Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.45Å; Q337-E341 PolarHBondContact NE2-OE1 3.44Å; Q337-E341 WeakPolarHBondContact O-CB 3.34Å; Q337-E341 WeakPolarHBondContact O-CG 3.34Å; Q337-E341 PolarHBondContact O-N 2.94Å |
| 338 | G | 95.3 | Very high | 95.7 | Very high | 27 Ų | 27 | 102.3 Ų | 102.3 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E334 E342 | E334-G338 PolarHBondContact O-N 2.87Å; G338-E342 WeakPolarHBondContact O-CB 3.31Å; G338-E342 WeakPolarHBondContact O-CG 3.35Å; G338-E342 PolarHBondContact O-N 3.25Å |
| 339 | L | 95.2 | Very high | 95.9 | Very high | 98 Ų | 98 | 104.2 Ų | 104.2 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 174.4 | -164.7 | 76.4 | 0 | 0 | 0 | 112.2 | S335 R336 Q337 E342 Y343 | S335-L339 WeakPolarHBondContact O-CB 3.47Å; S335-L339 PolarHBondContact O-N 3.29Å; S335-L339 VanDerWaalsContact O-N 3.1Å; R336-L339 WeakPolarHBondContact O-CB 3.42Å; R336-L339 PolarHBondContact O-N 2.98Å; Q337-L339 VanDerWaalsContact C-N 3.3Å; Q337-L339 PolarHBondContact O-N 3.46Å; L339-E342 PolarHBondContact O-N 3.47Å; L339-Y343 HydrophobicContact CD1-CD2 3.74Å; L339-Y343 HydrophobicContact CD1-CE2 3.51Å; L339-Y343 HydrophobicContact CG-CD2 4.06Å; L339-Y343 HydrophobicContact CG-CE2 4.32Å; L339-Y343 WeakPolarHBondContact O-CB 3.36Å; L339-Y343 WeakPolarHBondContact O-CD2 3.31Å; L339-Y343 PolarHBondContact O-N 3.01Å |
| 340 | E | 96.1 | Very high | 96.1 | Very high | 93 Ų | 93 | 103 Ų | 103 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 173.7 | -72 | 160.1 | -177.2 | 0 | 0 | 110.2 | R336 Q337 E342 Y343 E344 | R336-E340 VanDerWaalsContact CD-OE1 3.31Å; R336-E340 WeakPolarHBondContact CD-OE1 3.47Å; R336-E340 WeakPolarHBondContact CG-OE1 3.43Å; R336-E340 IonicContact CZ-OE1 3.63Å; R336-E340 IonicContact NE-OE1 3.54Å; R336-E340 PolarHBondContact NE-OE1 3.24Å; R336-E340 IonicContact NE-OE2 3.41Å; R336-E340 WeakPolarHBondContact O-CB 3.45Å; R336-E340 VanDerWaalsContact O-CG 3.27Å; R336-E340 WeakPolarHBondContact O-CG 3.42Å; R336-E340 PolarHBondContact O-N 2.92Å; Q337-E340 PolarHBondContact O-N 3.24Å; E340-E342 PolarHBondContact O-N 2.92Å; E340-Y343 PolarHBondContact O-N 3.18Å; E340-E344 VanDerWaalsContact O-CB 3.23Å; E340-E344 WeakPolarHBondContact O-CB 3.45Å; E340-E344 PolarHBondContact O-N 3.42Å |
| 341 | E | 96.6 | Very high | 96.3 | Very high | 121 Ų | 121 | 102 Ų | 102 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.2 | -34.9 | 177.6 | -72.9 | 177.2 | -165.2 | 0 | 0 | 113.6 | Q337 P345 | Q337-E341 HydrophobicContact CG-CG 4.4Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.45Å; Q337-E341 PolarHBondContact NE2-OE1 3.44Å; Q337-E341 WeakPolarHBondContact O-CB 3.34Å; Q337-E341 WeakPolarHBondContact O-CG 3.34Å; Q337-E341 PolarHBondContact O-N 2.94Å; E341-P345 WeakPolarHBondContact O-CD 3.41Å; E341-P345 WeakPolarHBondContact O-CG 3.48Å |
| 342 | E | 95.7 | Very high | 96.4 | Very high | 124 Ų | 124 | 103.7 Ų | 103.7 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.5 | -43 | 175.6 | -80.9 | -177.5 | -172.7 | 0 | 0 | 112.6 | G338 L339 E340 Q346 | G338-E342 WeakPolarHBondContact O-CB 3.31Å; G338-E342 WeakPolarHBondContact O-CG 3.35Å; G338-E342 PolarHBondContact O-N 3.25Å; L339-E342 PolarHBondContact O-N 3.47Å; E340-E342 PolarHBondContact O-N 2.92Å; E342-Q346 WeakPolarHBondContact O-CG 3.31Å; E342-Q346 PolarHBondContact O-NE2 3.46Å |
| 343 | Y | 96.2 | Very high | 96.6 | Very high | 132 Ų | 132 | 106.9 Ų | 106.9 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -96.5 | -29.5 | -167.8 | -78.1 | -100.9 | 0 | 0 | 0 | 114.8 | L339 E340 Q346 L347 | L339-Y343 HydrophobicContact CD1-CD2 3.74Å; L339-Y343 HydrophobicContact CD1-CE2 3.51Å; L339-Y343 HydrophobicContact CG-CD2 4.06Å; L339-Y343 HydrophobicContact CG-CE2 4.32Å; L339-Y343 WeakPolarHBondContact O-CB 3.36Å; L339-Y343 WeakPolarHBondContact O-CD2 3.31Å; L339-Y343 PolarHBondContact O-N 3.01Å; E340-Y343 PolarHBondContact O-N 3.18Å; Y343-Q346 WeakPolarHBondContact O-CB 3.24Å; Y343-Q346 PolarHBondContact O-N 2.85Å; Y343-Q346 VanDerWaalsContact O-N 3.13Å; Y343-L347 PolarHBondContact O-N 2.87Å |
| 344 | E | 97.8 | Very high | 96.7 | Very high | 128 Ų | 128 | 111.3 Ų | 111.3 | 60% | 0.598 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -53 | -52.3 | 175 | -178.9 | 177.1 | -154.3 | 0 | 0 | 113.1 | E340 Q346 L347 L348 | E340-E344 VanDerWaalsContact O-CB 3.23Å; E340-E344 WeakPolarHBondContact O-CB 3.45Å; E340-E344 PolarHBondContact O-N 3.42Å; E344-Q346 PolarHBondContact O-N 3.09Å; E344-L347 PolarHBondContact O-N 3.27Å; E344-L348 HydrophobicContact CG-CD1 3.97Å; E344-L348 HydrophobicContact CG-CG 4.4Å; E344-L348 WeakPolarHBondContact O-CG 3.37Å; E344-L348 PolarHBondContact O-N 2.84Å |
| 345 | P | 97.1 | Very high | 96.9 | Very high | 60 Ų | 60 | 110.4 Ų | 110.4 | 39% | 0.39 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.3 | -19.6 | 179.5 | 27.7 | -36.2 | 0 | 0 | 0 | 113.6 | E341 R349 | E341-P345 WeakPolarHBondContact O-CD 3.41Å; E341-P345 WeakPolarHBondContact O-CG 3.48Å; P345-R349 WeakPolarHBondContact O-CB 3.28Å; P345-R349 PolarHBondContact O-N 3.19Å |
| 346 | Q | 97.6 | Very high | 97.1 | Very high | 99 Ų | 99 | 110.2 Ų | 110.2 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76.1 | -44.5 | 173.2 | -62.4 | -177.9 | 59.9 | 0 | 0 | 110.9 | E342 Y343 E344 R349 L350 | E342-Q346 WeakPolarHBondContact O-CG 3.31Å; E342-Q346 PolarHBondContact O-NE2 3.46Å; Y343-Q346 WeakPolarHBondContact O-CB 3.24Å; Y343-Q346 PolarHBondContact O-N 2.85Å; Y343-Q346 VanDerWaalsContact O-N 3.13Å; E344-Q346 PolarHBondContact O-N 3.09Å; Q346-R349 PolarHBondContact O-N 2.99Å; Q346-L350 WeakPolarHBondContact O-CB 3.07Å; Q346-L350 PolarHBondContact O-N 3.37Å |
| 347 | L | 97.1 | Very high | 97.3 | Very high | 106 Ų | 106 | 105 Ų | 105 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -46.3 | 176.1 | -180 | 60.7 | 0 | 0 | 0 | 111.4 | Y343 E344 R349 L350 L351 | Y343-L347 PolarHBondContact O-N 2.87Å; E344-L347 PolarHBondContact O-N 3.27Å; L347-R349 PolarHBondContact O-N 3.08Å; L347-L350 PolarHBondContact O-N 3.5Å; L347-L350 VanDerWaalsContact O-N 3.17Å; L347-L351 HydrophobicContact CD1-CD1 4.43Å; L347-L351 HydrophobicContact CD1-CG 4.45Å; L347-L351 HydrophobicContact CG-CD1 4.2Å; L347-L351 WeakPolarHBondContact O-CG 3.39Å; L347-L351 PolarHBondContact O-N 2.87Å |
| 348 | L | 98.2 | Very high | 97.4 | Very high | 90 Ų | 90 | 103 Ų | 103 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 176.6 | -70.8 | 172.8 | 0 | 0 | 0 | 111.5 | E344 L350 L351 E352 | E344-L348 HydrophobicContact CG-CD1 3.97Å; E344-L348 HydrophobicContact CG-CG 4.4Å; E344-L348 WeakPolarHBondContact O-CG 3.37Å; E344-L348 PolarHBondContact O-N 2.84Å; L348-L350 VanDerWaalsContact C-N 3.26Å; L348-L350 PolarHBondContact O-N 2.83Å; L348-L351 WeakPolarHBondContact O-CB 3.22Å; L348-L351 PolarHBondContact O-N 2.9Å; L348-L351 VanDerWaalsContact O-N 3.17Å; L348-E352 WeakPolarHBondContact O-CG 3.45Å; L348-E352 PolarHBondContact O-N 2.9Å |
| 349 | R | 98.1 | Very high | 97.5 | Very high | 163 Ų | 163 | 106.8 Ų | 106.8 | 62% | 0.615 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -33.9 | 177 | -169.7 | -174 | -57.2 | 140.8 | 8.4 | 112.8 | P345 Q346 L347 R353 | P345-R349 WeakPolarHBondContact O-CB 3.28Å; P345-R349 PolarHBondContact O-N 3.19Å; Q346-R349 PolarHBondContact O-N 2.99Å; L347-R349 PolarHBondContact O-N 3.08Å; R349-R353 WeakPolarHBondContact O-CB 3.39Å; R349-R353 PolarHBondContact O-N 3.29Å |
| 350 | L | 98.2 | Very high | 97.7 | Very high | 104 Ų | 104 | 104.6 Ų | 104.6 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.4 | -37.3 | 177.8 | -168.7 | 147.2 | 0 | 0 | 0 | 111.6 | Q346 L347 L348 R353 K354 | Q346-L350 WeakPolarHBondContact O-CB 3.07Å; Q346-L350 PolarHBondContact O-N 3.37Å; L347-L350 PolarHBondContact O-N 3.5Å; L347-L350 VanDerWaalsContact O-N 3.17Å; L348-L350 VanDerWaalsContact C-N 3.26Å; L348-L350 PolarHBondContact O-N 2.83Å; L350-R353 PolarHBondContact O-N 3.11Å; L350-K354 WeakPolarHBondContact O-CB 3.48Å; L350-K354 PolarHBondContact O-N 2.94Å |
| 351 | L | 98.2 | Very high | 97.8 | Very high | 77 Ų | 77 | 105.6 Ų | 105.6 | 40% | 0.403 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 171.3 | -68.9 | 169.3 | 0 | 0 | 0 | 111.6 | L347 L348 R353 K354 E355 | L347-L351 HydrophobicContact CD1-CD1 4.43Å; L347-L351 HydrophobicContact CD1-CG 4.45Å; L347-L351 HydrophobicContact CG-CD1 4.2Å; L347-L351 WeakPolarHBondContact O-CG 3.39Å; L347-L351 PolarHBondContact O-N 2.87Å; L348-L351 WeakPolarHBondContact O-CB 3.22Å; L348-L351 PolarHBondContact O-N 2.9Å; L348-L351 VanDerWaalsContact O-N 3.17Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-R353 PolarHBondContact O-N 3.23Å; L351-K354 WeakPolarHBondContact O-CB 3.38Å; L351-K354 PolarHBondContact O-N 3.4Å; L351-E355 PolarHBondContact O-N 2.91Å |
| 352 | E | 98.4 | Very high | 97.8 | Very high | 134 Ų | 134 | 105.8 Ų | 105.8 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -56.6 | -44.9 | 173 | -72.4 | 177.2 | 155.4 | 0 | 0 | 111.6 | L348 E355 A356 | L348-E352 WeakPolarHBondContact O-CG 3.45Å; L348-E352 PolarHBondContact O-N 2.9Å; E352-E355 PolarHBondContact O-N 3Å; E352-A356 WeakPolarHBondContact O-CB 3.45Å; E352-A356 PolarHBondContact O-N 2.97Å |
| 353 | R | 98.1 | Very high | 98 | Very high | 195 Ų | 195 | 106.6 Ų | 106.6 | 74% | 0.736 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 176.6 | -165.6 | -175.9 | 79.4 | 154.4 | 4.1 | 111.8 | R349 L350 L351 A356 G357 | R349-R353 WeakPolarHBondContact O-CB 3.39Å; R349-R353 PolarHBondContact O-N 3.29Å; L350-R353 PolarHBondContact O-N 3.11Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-R353 PolarHBondContact O-N 3.23Å; R353-A356 PolarHBondContact O-N 3.47Å; R353-G357 PolarHBondContact O-N 3.41Å |
| 354 | K | 98.1 | Very high | 98.1 | Very high | 141 Ų | 141 | 103.3 Ų | 103.3 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.2 | -48.8 | 174.8 | -179.6 | -169.5 | 175.6 | -174.3 | 0 | 110.7 | L350 L351 G357 T358 | L350-K354 WeakPolarHBondContact O-CB 3.48Å; L350-K354 PolarHBondContact O-N 2.94Å; L351-K354 WeakPolarHBondContact O-CB 3.38Å; L351-K354 PolarHBondContact O-N 3.4Å; K354-G357 PolarHBondContact O-N 3.27Å; K354-T358 PolarHBondContact O-N 3.39Å; K354-T358 PolarHBondContact O-OG1 3.09Å |
| 355 | E | 98.4 | Very high | 98.1 | Very high | 104 Ų | 104 | 103.5 Ų | 103.5 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 178.3 | -80.2 | -165.5 | -147.3 | 0 | 0 | 113.3 | L351 E352 G357 T358 K359 | L351-E355 PolarHBondContact O-N 2.91Å; E352-E355 PolarHBondContact O-N 3Å; E355-G357 VanDerWaalsContact C-N 3.31Å; E355-T358 PolarHBondContact O-N 3.01Å; E355-T358 PolarHBondContact O-OG1 3.24Å; E355-K359 VanDerWaalsContact O-CB 3.31Å; E355-K359 WeakPolarHBondContact O-CB 3.34Å; E355-K359 VanDerWaalsContact O-CD 3.26Å; E355-K359 WeakPolarHBondContact O-CD 3.41Å; E355-K359 WeakPolarHBondContact O-CG 3.47Å; E355-K359 PolarHBondContact O-N 2.96Å; E355-K359 WeakPolarHBondContact OE2-CE 3.44Å; E355-K359 IonicContact OE2-NZ 2.77Å; E355-K359 PolarHBondContact OE2-NZ 2.95Å |
| 356 | A | 98.1 | Very high | 98.1 | Very high | 61 Ų | 61 | 102.8 Ų | 102.8 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | E352 R353 A360 | E352-A356 WeakPolarHBondContact O-CB 3.45Å; E352-A356 PolarHBondContact O-N 2.97Å; R353-A356 PolarHBondContact O-N 3.47Å; A356-A360 WeakPolarHBondContact O-CB 3.47Å; A356-A360 PolarHBondContact O-N 3.24Å |
| 357 | G | 98.1 | Very high | 98.2 | Very high | 42 Ų | 42 | 103.1 Ų | 103.1 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R353 K354 E355 A360 L361 | R353-G357 PolarHBondContact O-N 3.41Å; K354-G357 PolarHBondContact O-N 3.27Å; E355-G357 VanDerWaalsContact C-N 3.31Å; G357-A360 PolarHBondContact O-N 2.9Å; G357-L361 WeakPolarHBondContact O-CB 3.49Å; G357-L361 PolarHBondContact O-N 3.03Å |
| 358 | T | 98.1 | Very high | 98.2 | Very high | 64 Ų | 64 | 102.5 Ų | 102.5 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 177.9 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | K354 E355 A360 L361 Q362 | K354-T358 PolarHBondContact O-N 3.39Å; K354-T358 PolarHBondContact O-OG1 3.09Å; E355-T358 PolarHBondContact O-N 3.01Å; E355-T358 PolarHBondContact O-OG1 3.24Å; T358-A360 VanDerWaalsContact C-N 3.33Å; T358-A360 PolarHBondContact O-N 3.22Å; T358-L361 PolarHBondContact O-N 3.33Å; T358-Q362 WeakPolarHBondContact O-CB 3.44Å; T358-Q362 VanDerWaalsContact O-CG 3.27Å; T358-Q362 WeakPolarHBondContact O-CG 3.46Å; T358-Q362 PolarHBondContact O-N 2.66Å |
| 359 | K | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 102 Ų | 102 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -32.9 | 175.2 | -68.2 | 163.7 | -164 | 170.3 | 0 | 112.3 | E355 K363 | E355-K359 VanDerWaalsContact O-CB 3.31Å; E355-K359 WeakPolarHBondContact O-CB 3.34Å; E355-K359 VanDerWaalsContact O-CD 3.26Å; E355-K359 WeakPolarHBondContact O-CD 3.41Å; E355-K359 WeakPolarHBondContact O-CG 3.47Å; E355-K359 PolarHBondContact O-N 2.96Å; E355-K359 WeakPolarHBondContact OE2-CE 3.44Å; E355-K359 IonicContact OE2-NZ 2.77Å; E355-K359 PolarHBondContact OE2-NZ 2.95Å; K359-K363 WeakPolarHBondContact O-CG 3.35Å; K359-K363 PolarHBondContact O-N 2.8Å |
| 360 | A | 98.2 | Very high | 98.2 | Very high | 52 Ų | 52 | 100.7 Ų | 100.7 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.4 | -47.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A356 G357 T358 Q362 K363 T364 | A356-A360 WeakPolarHBondContact O-CB 3.47Å; A356-A360 PolarHBondContact O-N 3.24Å; G357-A360 PolarHBondContact O-N 2.9Å; T358-A360 VanDerWaalsContact C-N 3.33Å; T358-A360 PolarHBondContact O-N 3.22Å; A360-Q362 VanDerWaalsContact C-N 3.33Å; A360-Q362 PolarHBondContact O-N 2.94Å; A360-K363 WeakPolarHBondContact O-CB 3.3Å; A360-K363 PolarHBondContact O-N 3.48Å; A360-K363 VanDerWaalsContact O-N 3.12Å; A360-T364 PolarHBondContact O-N 3.43Å; A360-T364 VanDerWaalsContact O-N 3.07Å; A360-T364 PolarHBondContact O-OG1 2.88Å |
| 361 | L | 98.3 | Very high | 98.2 | Very high | 114 Ų | 114 | 102.3 Ų | 102.3 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.1 | -44.1 | 177.5 | -177 | 65 | 0 | 0 | 0 | 111.9 | G357 T358 K363 T364 Q365 | G357-L361 WeakPolarHBondContact O-CB 3.49Å; G357-L361 PolarHBondContact O-N 3.03Å; T358-L361 PolarHBondContact O-N 3.33Å; L361-K363 VanDerWaalsContact C-N 3.31Å; L361-K363 PolarHBondContact O-N 3.07Å; L361-T364 WeakPolarHBondContact CA-OG1 3.45Å; L361-T364 PolarHBondContact O-N 3.25Å; L361-T364 PolarHBondContact O-OG1 3.31Å; L361-Q365 WeakPolarHBondContact O-CB 3.45Å; L361-Q365 PolarHBondContact O-N 3.36Å |
| 362 | Q | 98.5 | Very high | 98.2 | Very high | 125 Ų | 125 | 104.3 Ų | 104.3 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.2 | -38.6 | 176.1 | -76.8 | 172.2 | -13.6 | 0 | 0 | 112.7 | T358 A360 Q365 A366 | T358-Q362 WeakPolarHBondContact O-CB 3.44Å; T358-Q362 VanDerWaalsContact O-CG 3.27Å; T358-Q362 WeakPolarHBondContact O-CG 3.46Å; T358-Q362 PolarHBondContact O-N 2.66Å; A360-Q362 VanDerWaalsContact C-N 3.33Å; A360-Q362 PolarHBondContact O-N 2.94Å; Q362-Q365 PolarHBondContact O-N 2.92Å; Q362-A366 PolarHBondContact O-N 3.15Å |
| 363 | K | 98.4 | Very high | 98.2 | Very high | 140 Ų | 140 | 102.3 Ų | 102.3 | 61% | 0.609 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -51 | 174.5 | -72.6 | 175.6 | 177.6 | -172.1 | 0 | 111.7 | K359 A360 L361 Q365 A366 E367 | K359-K363 WeakPolarHBondContact O-CG 3.35Å; K359-K363 PolarHBondContact O-N 2.8Å; A360-K363 WeakPolarHBondContact O-CB 3.3Å; A360-K363 PolarHBondContact O-N 3.48Å; A360-K363 VanDerWaalsContact O-N 3.12Å; L361-K363 VanDerWaalsContact C-N 3.31Å; L361-K363 PolarHBondContact O-N 3.07Å; K363-Q365 PolarHBondContact O-N 3.46Å; K363-A366 WeakPolarHBondContact O-CB 3.45Å; K363-A366 PolarHBondContact O-N 3.09Å; K363-E367 WeakPolarHBondContact O-CG 3.37Å; K363-E367 PolarHBondContact O-N 3.41Å |
| 364 | T | 97.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 95.8 Ų | 95.8 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -32.7 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | A360 L361 I368 | A360-T364 PolarHBondContact O-N 3.43Å; A360-T364 VanDerWaalsContact O-N 3.07Å; A360-T364 PolarHBondContact O-OG1 2.88Å; L361-T364 WeakPolarHBondContact CA-OG1 3.45Å; L361-T364 PolarHBondContact O-N 3.25Å; L361-T364 PolarHBondContact O-OG1 3.31Å; T364-I368 WeakPolarHBondContact O-CB 3.29Å; T364-I368 WeakPolarHBondContact O-CD1 3.49Å; T364-I368 WeakPolarHBondContact O-CG1 3.47Å; T364-I368 PolarHBondContact O-N 3.36Å |
| 365 | Q | 98.6 | Very high | 98.2 | Very high | 132 Ų | 132 | 93.1 Ų | 93.1 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.5 | -35.3 | 175.8 | -170.2 | 172.9 | 6.6 | 0 | 0 | 112.5 | L361 Q362 K363 Q369 | L361-Q365 WeakPolarHBondContact O-CB 3.45Å; L361-Q365 PolarHBondContact O-N 3.36Å; Q362-Q365 PolarHBondContact O-N 2.92Å; K363-Q365 PolarHBondContact O-N 3.46Å; Q365-Q369 PolarHBondContact O-N 2.86Å; Q365-Q369 VanDerWaalsContact O-N 3.13Å |
| 366 | A | 98.1 | Very high | 98.2 | Very high | 46 Ų | 46 | 95.3 Ų | 95.3 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68 | -46.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q362 K363 I368 Q369 E370 | Q362-A366 PolarHBondContact O-N 3.15Å; K363-A366 WeakPolarHBondContact O-CB 3.45Å; K363-A366 PolarHBondContact O-N 3.09Å; A366-I368 VanDerWaalsContact C-N 3.31Å; A366-I368 PolarHBondContact O-N 2.89Å; A366-Q369 CarbonylContact O-C 3.58Å; A366-Q369 WeakPolarHBondContact O-CA 3.2Å; A366-Q369 WeakPolarHBondContact O-CB 3.38Å; A366-Q369 PolarHBondContact O-N 3.42Å; A366-E370 PolarHBondContact O-N 3.4Å |
| 367 | E | 98.3 | Very high | 98.2 | Very high | 106 Ų | 106 | 96.1 Ų | 96.1 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.9 | -43 | 175.3 | -68.9 | 159.2 | -161.2 | 0 | 0 | 111.4 | K363 Q369 E370 M371 | K363-E367 WeakPolarHBondContact O-CG 3.37Å; K363-E367 PolarHBondContact O-N 3.41Å; E367-Q369 VanDerWaalsContact C-N 3.31Å; E367-Q369 PolarHBondContact O-N 2.97Å; E367-E370 PolarHBondContact O-N 2.99Å; E367-M371 WeakPolarHBondContact O-CB 3.26Å; E367-M371 VanDerWaalsContact O-CG 3.29Å; E367-M371 WeakPolarHBondContact O-CG 3.34Å; E367-M371 PolarHBondContact O-N 2.81Å |
| 368 | I | 97.9 | Very high | 98.2 | Very high | 93 Ų | 93 | 99.2 Ų | 99.2 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 173.2 | -73.8 | 165.2 | 0 | 0 | 0 | 111.9 | T364 A366 K372 | T364-I368 WeakPolarHBondContact O-CB 3.29Å; T364-I368 WeakPolarHBondContact O-CD1 3.49Å; T364-I368 WeakPolarHBondContact O-CG1 3.47Å; T364-I368 PolarHBondContact O-N 3.36Å; A366-I368 VanDerWaalsContact C-N 3.31Å; A366-I368 PolarHBondContact O-N 2.89Å; I368-K372 HydrophobicContact CG2-CD 4.18Å; I368-K372 VanDerWaalsContact O-CG 3.24Å; I368-K372 WeakPolarHBondContact O-CG 3.45Å; I368-K372 PolarHBondContact O-N 2.93Å |
| 369 | Q | 98.4 | Very high | 98.2 | Very high | 80 Ų | 80 | 100.1 Ų | 100.1 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.1 | -43.2 | 178 | -175.3 | 61.5 | 19.8 | 0 | 0 | 111.8 | Q365 A366 E367 M371 K372 E373 | Q365-Q369 PolarHBondContact O-N 2.86Å; Q365-Q369 VanDerWaalsContact O-N 3.13Å; A366-Q369 CarbonylContact O-C 3.58Å; A366-Q369 WeakPolarHBondContact O-CA 3.2Å; A366-Q369 WeakPolarHBondContact O-CB 3.38Å; A366-Q369 PolarHBondContact O-N 3.42Å; E367-Q369 VanDerWaalsContact C-N 3.31Å; E367-Q369 PolarHBondContact O-N 2.97Å; Q369-M371 VanDerWaalsContact C-N 3.32Å; Q369-M371 PolarHBondContact O-N 2.78Å; Q369-K372 WeakPolarHBondContact O-CB 3.46Å; Q369-K372 PolarHBondContact O-N 3.29Å; Q369-E373 PolarHBondContact NE2-OE1 3.03Å; Q369-E373 WeakPolarHBondContact O-CG 3.48Å; Q369-E373 PolarHBondContact O-N 2.89Å |
| 370 | E | 98.2 | Very high | 98.1 | Very high | 135 Ų | 135 | 97.6 Ų | 97.6 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.9 | -44.8 | 173.2 | -70.6 | 176.3 | -169.2 | 0 | 0 | 111 | A366 E367 K372 E373 A374 | A366-E370 PolarHBondContact O-N 3.4Å; E367-E370 PolarHBondContact O-N 2.99Å; E370-K372 PolarHBondContact O-N 3.43Å; E370-E373 PolarHBondContact O-N 3.34Å; E370-A374 WeakPolarHBondContact O-CB 3.45Å; E370-A374 PolarHBondContact O-N 3.41Å |
| 371 | M | 97.9 | Very high | 98.1 | Very high | 137 Ų | 137 | 100.3 Ų | 100.3 | 68% | 0.675 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.6 | -37 | 175.7 | -71.4 | -62 | -65.3 | 0 | 0 | 113.1 | E367 Q369 E373 L375 | E367-M371 WeakPolarHBondContact O-CB 3.26Å; E367-M371 VanDerWaalsContact O-CG 3.29Å; E367-M371 WeakPolarHBondContact O-CG 3.34Å; E367-M371 PolarHBondContact O-N 2.81Å; Q369-M371 VanDerWaalsContact C-N 3.32Å; Q369-M371 PolarHBondContact O-N 2.78Å; M371-E373 VanDerWaalsContact C-N 3.34Å; M371-L375 VanDerWaalsContact O-CB 3.27Å; M371-L375 WeakPolarHBondContact O-CB 3.48Å; M371-L375 PolarHBondContact O-N 2.92Å |
| 372 | K | 98.3 | Very high | 98.1 | Very high | 119 Ų | 119 | 97.6 Ų | 97.6 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 172.5 | -76.7 | 166.9 | -178.7 | 174.4 | 0 | 112.3 | I368 Q369 E370 L375 R376 | I368-K372 HydrophobicContact CG2-CD 4.18Å; I368-K372 VanDerWaalsContact O-CG 3.24Å; I368-K372 WeakPolarHBondContact O-CG 3.45Å; I368-K372 PolarHBondContact O-N 2.93Å; Q369-K372 WeakPolarHBondContact O-CB 3.46Å; Q369-K372 PolarHBondContact O-N 3.29Å; E370-K372 PolarHBondContact O-N 3.43Å; K372-L375 PolarHBondContact O-N 3.27Å; K372-R376 PolarHBondContact O-N 3.46Å; K372-R376 VanDerWaalsContact O-N 3.1Å |
| 373 | E | 97.8 | Very high | 98.1 | Very high | 93 Ų | 93 | 99.7 Ų | 99.7 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.1 | -35.2 | 179.2 | -71.7 | -177.8 | -171.7 | 0 | 0 | 112.2 | Q369 E370 M371 R376 P377 | Q369-E373 PolarHBondContact NE2-OE1 3.03Å; Q369-E373 WeakPolarHBondContact O-CG 3.48Å; Q369-E373 PolarHBondContact O-N 2.89Å; E370-E373 PolarHBondContact O-N 3.34Å; M371-E373 VanDerWaalsContact C-N 3.34Å; E373-R376 PolarHBondContact O-N 2.98Å; E373-P377 WeakPolarHBondContact O-CD 3.37Å |
| 374 | A | 97.7 | Very high | 98.1 | Very high | 57 Ų | 57 | 98.6 Ų | 98.6 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -32.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113 | E370 P377 | E370-A374 WeakPolarHBondContact O-CB 3.45Å; E370-A374 PolarHBondContact O-N 3.41Å; A374-P377 VanDerWaalsContact O-CD 3.31Å; A374-P377 WeakPolarHBondContact O-CD 3.29Å; A374-P377 WeakPolarHBondContact O-CG 3.38Å |
| 375 | L | 98.1 | Very high | 98.1 | Very high | 85 Ų | 85 | 99.5 Ų | 99.5 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.6 | -28.5 | 176.2 | -174.9 | 61.7 | 0 | 0 | 0 | 113 | M371 K372 L378 Q379 | M371-L375 VanDerWaalsContact O-CB 3.27Å; M371-L375 WeakPolarHBondContact O-CB 3.48Å; M371-L375 PolarHBondContact O-N 2.92Å; K372-L375 PolarHBondContact O-N 3.27Å; L375-L378 PolarHBondContact O-N 3.42Å; L375-Q379 HydrophobicContact CD1-CG 4.41Å; L375-Q379 HydrophobicContact CG-CG 4.17Å; L375-Q379 WeakPolarHBondContact O-CG 3.3Å; L375-Q379 PolarHBondContact O-N 3.44Å |
| 376 | R | 98.3 | Very high | 98.1 | Very high | 150 Ų | 150 | 99.8 Ų | 99.8 | 57% | 0.566 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -54.9 | -49.4 | -179.5 | -169 | -172.1 | -66.9 | 141.4 | -0.6 | 114.3 | K372 E373 Q379 A380 | K372-R376 PolarHBondContact O-N 3.46Å; K372-R376 VanDerWaalsContact O-N 3.1Å; E373-R376 PolarHBondContact O-N 2.98Å; R376-Q379 PolarHBondContact O-N 2.86Å; R376-A380 PolarHBondContact O-N 2.77Å; R376-A380 VanDerWaalsContact O-N 3.16Å |
| 377 | P | 98.1 | Very high | 98.1 | Very high | 78 Ų | 78 | 102.3 Ų | 102.3 | 51% | 0.506 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 177 | 25.7 | -34.7 | 0 | 0 | 0 | 112.7 | E373 A374 Q379 A380 E381 | E373-P377 WeakPolarHBondContact O-CD 3.37Å; A374-P377 VanDerWaalsContact O-CD 3.31Å; A374-P377 WeakPolarHBondContact O-CD 3.29Å; A374-P377 WeakPolarHBondContact O-CG 3.38Å; P377-Q379 VanDerWaalsContact C-N 3.3Å; P377-Q379 PolarHBondContact O-N 3.34Å; P377-A380 WeakPolarHBondContact O-CA 3.27Å; P377-A380 WeakPolarHBondContact O-CB 3.5Å; P377-A380 PolarHBondContact O-N 3.06Å; P377-E381 PolarHBondContact O-N 3.44Å |
| 378 | L | 98 | Very high | 98.1 | Very high | 107 Ų | 107 | 101.5 Ų | 101.5 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.4 | -39.4 | 175.9 | -73.9 | 162.7 | 0 | 0 | 0 | 111.9 | L375 A380 E381 A382 | L375-L378 PolarHBondContact O-N 3.42Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-E381 PolarHBondContact O-N 2.98Å; L378-A382 WeakPolarHBondContact O-CB 3.33Å; L378-A382 PolarHBondContact O-N 2.86Å |
| 379 | Q | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 101.5 Ų | 101.5 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -31.9 | 172.6 | -71.9 | -176.8 | 4 | 0 | 0 | 113.3 | L375 R376 P377 R383 | L375-Q379 HydrophobicContact CD1-CG 4.41Å; L375-Q379 HydrophobicContact CG-CG 4.17Å; L375-Q379 WeakPolarHBondContact O-CG 3.3Å; L375-Q379 PolarHBondContact O-N 3.44Å; R376-Q379 PolarHBondContact O-N 2.86Å; P377-Q379 VanDerWaalsContact C-N 3.3Å; P377-Q379 PolarHBondContact O-N 3.34Å; Q379-R383 WeakPolarHBondContact O-CD 3.45Å; Q379-R383 VanDerWaalsContact O-CG 3.24Å; Q379-R383 WeakPolarHBondContact O-CG 3.35Å; Q379-R383 PolarHBondContact O-N 3.42Å |
| 380 | A | 97.8 | Very high | 98.1 | Very high | 54 Ų | 54 | 104.8 Ų | 104.8 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.8 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R376 P377 L378 R383 Q384 | R376-A380 PolarHBondContact O-N 2.77Å; R376-A380 VanDerWaalsContact O-N 3.16Å; P377-A380 WeakPolarHBondContact O-CA 3.27Å; P377-A380 WeakPolarHBondContact O-CB 3.5Å; P377-A380 PolarHBondContact O-N 3.06Å; L378-A380 VanDerWaalsContact C-N 3.34Å; A380-R383 PolarHBondContact O-N 3.18Å; A380-Q384 PolarHBondContact O-N 2.84Å |
| 381 | E | 98.3 | Very high | 98.1 | Very high | 109 Ų | 109 | 102 Ų | 102 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 174.9 | -175.7 | 173.6 | -170 | 0 | 0 | 111.5 | P377 L378 R383 Q384 L385 | P377-E381 PolarHBondContact O-N 3.44Å; L378-E381 PolarHBondContact O-N 2.98Å; E381-R383 VanDerWaalsContact C-N 3.31Å; E381-R383 PolarHBondContact O-N 2.8Å; E381-Q384 WeakPolarHBondContact O-CB 3.29Å; E381-Q384 PolarHBondContact O-N 3.38Å; E381-Q384 VanDerWaalsContact O-N 3.11Å; E381-L385 HydrophobicContact CG-CD1 4.02Å; E381-L385 HydrophobicContact CG-CG 4.39Å; E381-L385 WeakPolarHBondContact O-CG 3.48Å; E381-L385 PolarHBondContact O-N 3.25Å |
| 382 | A | 97.8 | Very high | 98.2 | Very high | 57 Ų | 57 | 99.9 Ų | 99.9 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -40.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L378 H386 | L378-A382 WeakPolarHBondContact O-CB 3.33Å; L378-A382 PolarHBondContact O-N 2.86Å; A382-H386 WeakPolarHBondContact O-CB 3.3Å; A382-H386 PolarHBondContact O-N 3.31Å |
| 383 | R | 97.9 | Very high | 98.2 | Very high | 169 Ų | 169 | 100 Ų | 100 | 64% | 0.638 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67 | -39.9 | 174.5 | -71.5 | 168 | -172.3 | 149.9 | 8.3 | 112 | Q379 A380 E381 L387 | Q379-R383 WeakPolarHBondContact O-CD 3.45Å; Q379-R383 VanDerWaalsContact O-CG 3.24Å; Q379-R383 WeakPolarHBondContact O-CG 3.35Å; Q379-R383 PolarHBondContact O-N 3.42Å; A380-R383 PolarHBondContact O-N 3.18Å; E381-R383 VanDerWaalsContact C-N 3.31Å; E381-R383 PolarHBondContact O-N 2.8Å; R383-L387 PolarHBondContact O-N 2.88Å; R383-L387 VanDerWaalsContact O-N 3.08Å |
| 384 | Q | 98.5 | Very high | 98.2 | Very high | 116 Ų | 116 | 100 Ų | 100 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 175.9 | 179.7 | -178.7 | -30.4 | 0 | 0 | 111.5 | A380 E381 H386 L387 Q388 | A380-Q384 PolarHBondContact O-N 2.84Å; E381-Q384 WeakPolarHBondContact O-CB 3.29Å; E381-Q384 PolarHBondContact O-N 3.38Å; E381-Q384 VanDerWaalsContact O-N 3.11Å; Q384-H386 PolarHBondContact O-N 3.27Å; Q384-L387 PolarHBondContact O-N 3.36Å; Q384-Q388 WeakPolarHBondContact O-CG 3.43Å; Q384-Q388 PolarHBondContact O-N 2.9Å |
| 385 | L | 98.3 | Very high | 98.2 | Very high | 83 Ų | 83 | 102.9 Ų | 102.9 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 177.8 | -70.4 | 171.4 | 0 | 0 | 0 | 111.8 | E381 Q388 N389 | E381-L385 HydrophobicContact CG-CD1 4.02Å; E381-L385 HydrophobicContact CG-CG 4.39Å; E381-L385 WeakPolarHBondContact O-CG 3.48Å; E381-L385 PolarHBondContact O-N 3.25Å; L385-Q388 PolarHBondContact O-N 3.34Å; L385-N389 PolarHBondContact O-N 3.11Å |
| 386 | H | 98.4 | Very high | 98.2 | Very high | 137 Ų | 137 | 103 Ų | 103 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62 | -43.7 | 174.5 | -177.3 | 70.2 | 0 | 0 | 0 | 112.2 | A382 Q384 N389 R390 | A382-H386 WeakPolarHBondContact O-CB 3.3Å; A382-H386 PolarHBondContact O-N 3.31Å; Q384-H386 PolarHBondContact O-N 3.27Å; H386-N389 PolarHBondContact O-N 3.48Å; H386-R390 PolarHBondContact O-N 3.39Å; H386-R390 VanDerWaalsContact O-N 3.09Å |
| 387 | L | 98.4 | Very high | 98.2 | Very high | 100 Ų | 100 | 98.4 Ų | 98.4 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 174.2 | -178.6 | 61.3 | 0 | 0 | 0 | 112.1 | R383 Q384 N391 | R383-L387 PolarHBondContact O-N 2.88Å; R383-L387 VanDerWaalsContact O-N 3.08Å; Q384-L387 PolarHBondContact O-N 3.36Å; L387-N391 WeakPolarHBondContact O-CB 3.13Å; L387-N391 PolarHBondContact O-N 3.02Å; L387-N391 PolarHBondContact O-ND2 3.49Å |
| 388 | Q | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 98.8 Ų | 98.8 | 42% | 0.416 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 176.1 | -74.7 | 178.7 | -11.1 | 0 | 0 | 112.3 | Q384 L385 N391 L392 | Q384-Q388 WeakPolarHBondContact O-CG 3.43Å; Q384-Q388 PolarHBondContact O-N 2.9Å; L385-Q388 PolarHBondContact O-N 3.34Å; Q388-N391 PolarHBondContact O-N 2.86Å; Q388-L392 WeakPolarHBondContact O-CG 3.24Å; Q388-L392 PolarHBondContact O-N 3.47Å |
| 389 | N | 98 | Very high | 98.3 | Very high | 93 Ų | 93 | 97.1 Ų | 97.1 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -49 | 174.7 | -79.3 | -18.9 | 0 | 0 | 0 | 111.2 | L385 H386 N391 L392 E393 | L385-N389 PolarHBondContact O-N 3.11Å; H386-N389 PolarHBondContact O-N 3.48Å; N389-N391 VanDerWaalsContact C-N 3.34Å; N389-N391 PolarHBondContact O-N 3.09Å; N389-L392 CarbonylContact O-C 3.58Å; N389-L392 WeakPolarHBondContact O-CA 3.46Å; N389-L392 WeakPolarHBondContact O-CB 3.3Å; N389-L392 PolarHBondContact O-N 3.07Å; N389-E393 WeakPolarHBondContact O-CG 3.35Å; N389-E393 PolarHBondContact O-N 3.05Å |
| 390 | R | 98.5 | Very high | 98.3 | Very high | 148 Ų | 148 | 101 Ų | 101 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.7 | -45.1 | 176.9 | -175.2 | 174.5 | 179.3 | 156.1 | 2.7 | 112.6 | H386 L392 E393 D394 | H386-R390 PolarHBondContact O-N 3.39Å; H386-R390 VanDerWaalsContact O-N 3.09Å; R390-L392 PolarHBondContact O-N 2.97Å; R390-E393 WeakPolarHBondContact O-CB 3.33Å; R390-E393 PolarHBondContact O-N 3.39Å; R390-D394 PolarHBondContact O-N 2.94Å |
| 391 | N | 98.1 | Very high | 98.3 | Very high | 78 Ų | 78 | 103.4 Ų | 103.4 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -28.4 | 176 | -70.4 | -21.7 | 0 | 0 | 0 | 112.9 | L387 Q388 N389 Q395 | L387-N391 WeakPolarHBondContact O-CB 3.13Å; L387-N391 PolarHBondContact O-N 3.02Å; L387-N391 PolarHBondContact O-ND2 3.49Å; Q388-N391 PolarHBondContact O-N 2.86Å; N389-N391 VanDerWaalsContact C-N 3.34Å; N389-N391 PolarHBondContact O-N 3.09Å; N391-Q395 VanDerWaalsContact O-CG 3.3Å; N391-Q395 WeakPolarHBondContact O-CG 3.3Å; N391-Q395 PolarHBondContact O-N 2.87Å; N391-Q395 PolarHBondContact O-NE2 3.08Å |
| 392 | L | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 103.2 Ų | 103.2 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -81.3 | -37 | 175.1 | -69.7 | 168.1 | 0 | 0 | 0 | 111.9 | Q388 N389 R390 Q395 I396 | Q388-L392 WeakPolarHBondContact O-CG 3.24Å; Q388-L392 PolarHBondContact O-N 3.47Å; N389-L392 CarbonylContact O-C 3.58Å; N389-L392 WeakPolarHBondContact O-CA 3.46Å; N389-L392 WeakPolarHBondContact O-CB 3.3Å; N389-L392 PolarHBondContact O-N 3.07Å; R390-L392 PolarHBondContact O-N 2.97Å; L392-Q395 PolarHBondContact O-N 3.14Å; L392-I396 WeakPolarHBondContact O-CB 3.47Å; L392-I396 VanDerWaalsContact O-CG1 3.26Å; L392-I396 WeakPolarHBondContact O-CG1 3.39Å; L392-I396 PolarHBondContact O-N 2.88Å |
| 393 | E | 98.3 | Very high | 98.3 | Very high | 122 Ų | 122 | 108.1 Ų | 108.1 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.2 | -47.4 | 172 | -70.9 | 163.9 | -178.9 | 0 | 0 | 111 | N389 R390 Q395 I396 A397 | N389-E393 WeakPolarHBondContact O-CG 3.35Å; N389-E393 PolarHBondContact O-N 3.05Å; R390-E393 WeakPolarHBondContact O-CB 3.33Å; R390-E393 PolarHBondContact O-N 3.39Å; E393-Q395 VanDerWaalsContact C-N 3.33Å; E393-Q395 PolarHBondContact O-N 3.42Å; E393-I396 PolarHBondContact O-N 3.01Å; E393-A397 WeakPolarHBondContact O-CB 3.39Å; E393-A397 PolarHBondContact O-N 3.29Å |
| 394 | D | 98.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 105.3 Ų | 105.3 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 175.9 | -71.9 | -33 | 0 | 0 | 0 | 111.7 | R390 A397 L398 | R390-D394 PolarHBondContact O-N 2.94Å; D394-A397 PolarHBondContact O-N 3.08Å; D394-L398 WeakPolarHBondContact O-CB 3.13Å; D394-L398 PolarHBondContact O-N 3.48Å |
| 395 | Q | 98.5 | Very high | 98.3 | Very high | 117 Ų | 117 | 104 Ų | 104 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 173.2 | -79.8 | 171.2 | 82.7 | 0 | 0 | 112.7 | N391 L392 E393 A397 L398 V399 | N391-Q395 VanDerWaalsContact O-CG 3.3Å; N391-Q395 WeakPolarHBondContact O-CG 3.3Å; N391-Q395 PolarHBondContact O-N 2.87Å; N391-Q395 PolarHBondContact O-NE2 3.08Å; L392-Q395 PolarHBondContact O-N 3.14Å; E393-Q395 VanDerWaalsContact C-N 3.33Å; E393-Q395 PolarHBondContact O-N 3.42Å; Q395-A397 VanDerWaalsContact C-N 3.34Å; Q395-L398 PolarHBondContact O-N 3.29Å; Q395-V399 WeakPolarHBondContact O-CG2 3.29Å; Q395-V399 PolarHBondContact O-N 3.43Å |
| 396 | I | 98.1 | Very high | 98.3 | Very high | 89 Ų | 89 | 104.7 Ų | 104.7 | 46% | 0.456 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 176.8 | -71.6 | 164.2 | 0 | 0 | 0 | 110.4 | L392 E393 V399 R400 | L392-I396 WeakPolarHBondContact O-CB 3.47Å; L392-I396 VanDerWaalsContact O-CG1 3.26Å; L392-I396 WeakPolarHBondContact O-CG1 3.39Å; L392-I396 PolarHBondContact O-N 2.88Å; E393-I396 PolarHBondContact O-N 3.01Å; I396-V399 PolarHBondContact O-N 3.34Å; I396-R400 WeakPolarHBondContact O-CB 3.44Å; I396-R400 VanDerWaalsContact O-CG 3.29Å; I396-R400 WeakPolarHBondContact O-CG 3.43Å; I396-R400 PolarHBondContact O-N 3.25Å |
| 397 | A | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 101.3 Ų | 101.3 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E393 D394 Q395 V399 R400 Q401 | E393-A397 WeakPolarHBondContact O-CB 3.39Å; E393-A397 PolarHBondContact O-N 3.29Å; D394-A397 PolarHBondContact O-N 3.08Å; Q395-A397 VanDerWaalsContact C-N 3.34Å; A397-V399 PolarHBondContact O-N 2.96Å; A397-R400 PolarHBondContact O-N 2.89Å; A397-Q401 PolarHBondContact O-N 2.7Å |
| 398 | L | 98.6 | Very high | 98.3 | Very high | 87 Ų | 87 | 100 Ų | 100 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 177.2 | -178.2 | 62.4 | 0 | 0 | 0 | 112.9 | D394 Q395 K402 | D394-L398 WeakPolarHBondContact O-CB 3.13Å; D394-L398 PolarHBondContact O-N 3.48Å; Q395-L398 PolarHBondContact O-N 3.29Å; L398-K402 WeakPolarHBondContact O-CG 3.43Å; L398-K402 PolarHBondContact O-N 3.45Å; L398-K402 VanDerWaalsContact O-N 3.09Å |
| 399 | V | 98.4 | Very high | 98.3 | Very high | 72 Ų | 72 | 100.9 Ų | 100.9 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.1 | -32.2 | 176.6 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | Q395 I396 A397 R403 | Q395-V399 WeakPolarHBondContact O-CG2 3.29Å; Q395-V399 PolarHBondContact O-N 3.43Å; I396-V399 PolarHBondContact O-N 3.34Å; A397-V399 PolarHBondContact O-N 2.96Å; V399-R403 WeakPolarHBondContact O-CG 3.24Å; V399-R403 PolarHBondContact O-N 3.41Å |
| 400 | R | 98.3 | Very high | 98.3 | Very high | 165 Ų | 165 | 103.5 Ų | 103.5 | 62% | 0.623 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.1 | -53.8 | 170.8 | -74.5 | 170.6 | -178.9 | 175 | 2.1 | 110.6 | I396 A397 K402 R403 D404 | I396-R400 WeakPolarHBondContact O-CB 3.44Å; I396-R400 VanDerWaalsContact O-CG 3.29Å; I396-R400 WeakPolarHBondContact O-CG 3.43Å; I396-R400 PolarHBondContact O-N 3.25Å; A397-R400 PolarHBondContact O-N 2.89Å; R400-K402 VanDerWaalsContact C-N 3.3Å; R400-K402 PolarHBondContact O-N 3.04Å; R400-R403 WeakPolarHBondContact O-CA 3.31Å; R400-R403 WeakPolarHBondContact O-CB 3.21Å; R400-R403 PolarHBondContact O-N 3.09Å; R400-D404 PolarHBondContact O-N 2.94Å |
| 401 | Q | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 103 Ų | 103 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -51.5 | -47.9 | 178.7 | 180 | -176.6 | -19 | 0 | 0 | 111.9 | A397 R403 D404 E405 | A397-Q401 PolarHBondContact O-N 2.7Å; Q401-R403 VanDerWaalsContact C-N 3.32Å; Q401-R403 PolarHBondContact O-N 2.98Å; Q401-D404 PolarHBondContact O-N 3.43Å; Q401-D404 VanDerWaalsContact O-N 3.15Å; Q401-E405 HydrophobicContact CG-CG 4.43Å; Q401-E405 WeakPolarHBondContact CG-OE1 3.39Å; Q401-E405 PolarHBondContact NE2-OE1 3.26Å; Q401-E405 WeakPolarHBondContact O-CB 3.5Å; Q401-E405 WeakPolarHBondContact O-CG 3.37Å; Q401-E405 PolarHBondContact O-N 3.36Å |
| 402 | K | 98.4 | Very high | 98.3 | Very high | 105 Ų | 105 | 103.9 Ų | 103.9 | 46% | 0.457 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 177.7 | -75.3 | 175.8 | 177.8 | -177.1 | 0 | 113.3 | L398 R400 E405 E406 | L398-K402 WeakPolarHBondContact O-CG 3.43Å; L398-K402 PolarHBondContact O-N 3.45Å; L398-K402 VanDerWaalsContact O-N 3.09Å; R400-K402 VanDerWaalsContact C-N 3.3Å; R400-K402 PolarHBondContact O-N 3.04Å; K402-E405 PolarHBondContact O-N 3.47Å; K402-E406 WeakPolarHBondContact O-CB 3.38Å; K402-E406 WeakPolarHBondContact O-CG 3.42Å; K402-E406 PolarHBondContact O-N 3.03Å |
| 403 | R | 98.1 | Very high | 98.3 | Very high | 161 Ų | 161 | 104.3 Ų | 104.3 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.8 | -35.8 | 175.6 | -72.8 | 174.2 | 175.8 | -178.8 | -0.2 | 112.4 | V399 R400 Q401 E405 E406 V407 | V399-R403 WeakPolarHBondContact O-CG 3.24Å; V399-R403 PolarHBondContact O-N 3.41Å; R400-R403 WeakPolarHBondContact O-CA 3.31Å; R400-R403 WeakPolarHBondContact O-CB 3.21Å; R400-R403 PolarHBondContact O-N 3.09Å; Q401-R403 VanDerWaalsContact C-N 3.32Å; Q401-R403 PolarHBondContact O-N 2.98Å; R403-E405 VanDerWaalsContact C-N 3.34Å; R403-E406 PolarHBondContact O-N 3.4Å; R403-V407 WeakPolarHBondContact O-CB 3.49Å; R403-V407 VanDerWaalsContact O-CG2 3.24Å; R403-V407 WeakPolarHBondContact O-CG2 3.39Å; R403-V407 PolarHBondContact O-N 3.14Å |
| 404 | D | 98.2 | Very high | 98.3 | Very high | 109 Ų | 109 | 104.1 Ų | 104.1 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.3 | -38.4 | 175 | -62.5 | -39.9 | 0 | 0 | 0 | 110.6 | R400 Q401 Q408 | R400-D404 PolarHBondContact O-N 2.94Å; Q401-D404 PolarHBondContact O-N 3.43Å; Q401-D404 VanDerWaalsContact O-N 3.15Å; D404-Q408 VanDerWaalsContact O-CB 3.29Å; D404-Q408 WeakPolarHBondContact O-CB 3.18Å; D404-Q408 PolarHBondContact O-N 3.25Å |
| 405 | E | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 105 Ų | 105 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 171.1 | -71.8 | 168.4 | -179.3 | 0 | 0 | 112.4 | Q401 K402 R403 Q408 Q409 | Q401-E405 HydrophobicContact CG-CG 4.43Å; Q401-E405 WeakPolarHBondContact CG-OE1 3.39Å; Q401-E405 PolarHBondContact NE2-OE1 3.26Å; Q401-E405 WeakPolarHBondContact O-CB 3.5Å; Q401-E405 WeakPolarHBondContact O-CG 3.37Å; Q401-E405 PolarHBondContact O-N 3.36Å; K402-E405 PolarHBondContact O-N 3.47Å; R403-E405 VanDerWaalsContact C-N 3.34Å; E405-Q408 PolarHBondContact O-N 3.49Å; E405-Q409 VanDerWaalsContact O-CG 3.31Å; E405-Q409 WeakPolarHBondContact O-CG 3.42Å; E405-Q409 PolarHBondContact O-N 2.95Å |
| 406 | E | 98.3 | Very high | 98.2 | Very high | 97 Ų | 97 | 104.1 Ų | 104.1 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 173.7 | -75.2 | 162.2 | -170.4 | 0 | 0 | 111.4 | K402 R403 Q408 Q409 Y410 | K402-E406 WeakPolarHBondContact O-CB 3.38Å; K402-E406 WeakPolarHBondContact O-CG 3.42Å; K402-E406 PolarHBondContact O-N 3.03Å; R403-E406 PolarHBondContact O-N 3.4Å; E406-Q408 VanDerWaalsContact C-N 3.3Å; E406-Q408 PolarHBondContact O-N 2.87Å; E406-Q409 PolarHBondContact O-N 2.96Å; E406-Y410 WeakPolarHBondContact O-CD2 3.48Å; E406-Y410 PolarHBondContact O-N 3.4Å |
| 407 | V | 98.5 | Very high | 98.2 | Very high | 67 Ų | 67 | 105.4 Ų | 105.4 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 176.4 | 165.8 | 0 | 0 | 0 | 0 | 111.4 | R403 Y410 R411 | R403-V407 WeakPolarHBondContact O-CB 3.49Å; R403-V407 VanDerWaalsContact O-CG2 3.24Å; R403-V407 WeakPolarHBondContact O-CG2 3.39Å; R403-V407 PolarHBondContact O-N 3.14Å; V407-Y410 PolarHBondContact O-N 3.44Å; V407-R411 WeakPolarHBondContact O-CG 3.48Å; V407-R411 PolarHBondContact O-N 3.4Å |
| 408 | Q | 98.1 | Very high | 98.2 | Very high | 73 Ų | 73 | 108.1 Ų | 108.1 | 34% | 0.341 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 176.3 | -176.7 | 56.3 | 27.5 | 0 | 0 | 111.8 | D404 E405 E406 Y410 R411 E412 | D404-Q408 VanDerWaalsContact O-CB 3.29Å; D404-Q408 WeakPolarHBondContact O-CB 3.18Å; D404-Q408 PolarHBondContact O-N 3.25Å; E405-Q408 PolarHBondContact O-N 3.49Å; E406-Q408 VanDerWaalsContact C-N 3.3Å; E406-Q408 PolarHBondContact O-N 2.87Å; Q408-Y410 VanDerWaalsContact C-N 3.32Å; Q408-Y410 PolarHBondContact O-N 3.47Å; Q408-R411 WeakPolarHBondContact O-CB 3.38Å; Q408-R411 PolarHBondContact O-N 2.92Å; Q408-R411 VanDerWaalsContact O-N 3.14Å; Q408-E412 WeakPolarHBondContact CG-OE1 3.07Å; Q408-E412 PolarHBondContact NE2-OE1 3.43Å; Q408-E412 WeakPolarHBondContact O-CG 3.28Å; Q408-E412 PolarHBondContact O-N 2.91Å |
| 409 | Q | 98.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 108.3 Ų | 108.3 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 173.4 | -70.6 | 166.7 | 39 | 0 | 0 | 112.3 | E405 E406 E412 Q413 | E405-Q409 VanDerWaalsContact O-CG 3.31Å; E405-Q409 WeakPolarHBondContact O-CG 3.42Å; E405-Q409 PolarHBondContact O-N 2.95Å; E406-Q409 PolarHBondContact O-N 2.96Å; Q409-E412 PolarHBondContact O-N 3.36Å; Q409-Q413 VanDerWaalsContact O-CG 3.29Å; Q409-Q413 WeakPolarHBondContact O-CG 3.27Å; Q409-Q413 PolarHBondContact O-N 3.11Å |
| 410 | Y | 98.1 | Very high | 98.2 | Very high | 149 Ų | 149 | 109.9 Ų | 109.9 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.7 | -34.6 | 175.3 | -70.5 | -54.1 | 0 | 0 | 0 | 113 | E406 V407 Q408 L414 | E406-Y410 WeakPolarHBondContact O-CD2 3.48Å; E406-Y410 PolarHBondContact O-N 3.4Å; V407-Y410 PolarHBondContact O-N 3.44Å; Q408-Y410 VanDerWaalsContact C-N 3.32Å; Q408-Y410 PolarHBondContact O-N 3.47Å; Y410-L414 VanDerWaalsContact O-CG 3.3Å; Y410-L414 WeakPolarHBondContact O-CG 3.43Å; Y410-L414 PolarHBondContact O-N 3.46Å |
| 411 | R | 98.4 | Very high | 98.1 | Very high | 137 Ų | 137 | 106.6 Ų | 106.6 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 172.8 | -71.8 | 168.8 | -178.4 | 169.7 | 1.2 | 111.5 | V407 Q408 Q413 L414 E415 | V407-R411 WeakPolarHBondContact O-CG 3.48Å; V407-R411 PolarHBondContact O-N 3.4Å; Q408-R411 WeakPolarHBondContact O-CB 3.38Å; Q408-R411 PolarHBondContact O-N 2.92Å; Q408-R411 VanDerWaalsContact O-N 3.14Å; R411-Q413 VanDerWaalsContact C-N 3.32Å; R411-Q413 PolarHBondContact O-N 3.05Å; R411-L414 WeakPolarHBondContact O-CB 3.33Å; R411-L414 PolarHBondContact O-N 3.39Å; R411-L414 VanDerWaalsContact O-N 3.09Å; R411-E415 WeakPolarHBondContact O-CG 3.4Å; R411-E415 PolarHBondContact O-N 3.41Å |
| 412 | E | 98.3 | Very high | 98.1 | Very high | 96 Ų | 96 | 107.2 Ų | 107.2 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 178.4 | -71.6 | 165.8 | -169.7 | 0 | 0 | 111.4 | Q408 Q409 L414 E415 E416 | Q408-E412 WeakPolarHBondContact CG-OE1 3.07Å; Q408-E412 PolarHBondContact NE2-OE1 3.43Å; Q408-E412 WeakPolarHBondContact O-CG 3.28Å; Q408-E412 PolarHBondContact O-N 2.91Å; Q409-E412 PolarHBondContact O-N 3.36Å; E412-L414 PolarHBondContact O-N 3.35Å; E412-E415 PolarHBondContact O-N 3Å; E412-E416 WeakPolarHBondContact O-CG 3.36Å; E412-E416 PolarHBondContact O-N 2.94Å |
| 413 | Q | 98.3 | Very high | 98.1 | Very high | 102 Ų | 102 | 107.8 Ų | 107.8 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 173.7 | -72.4 | 171.1 | 32.1 | 0 | 0 | 113.3 | Q409 R411 M417 | Q409-Q413 VanDerWaalsContact O-CG 3.29Å; Q409-Q413 WeakPolarHBondContact O-CG 3.27Å; Q409-Q413 PolarHBondContact O-N 3.11Å; R411-Q413 VanDerWaalsContact C-N 3.32Å; R411-Q413 PolarHBondContact O-N 3.05Å; Q413-M417 WeakPolarHBondContact O-CB 3.27Å; Q413-M417 VanDerWaalsContact O-CG 3.22Å; Q413-M417 WeakPolarHBondContact O-CG 3.22Å; Q413-M417 PolarHBondContact O-N 2.71Å; Q413-M417 VanDerWaalsContact O-N 3.11Å |
| 414 | L | 97.7 | Very high | 98.1 | Very high | 117 Ų | 117 | 106.1 Ų | 106.1 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.5 | -45.9 | 174.4 | -72.9 | 168.4 | 0 | 0 | 0 | 111.1 | Y410 R411 E412 E416 M417 E418 | Y410-L414 VanDerWaalsContact O-CG 3.3Å; Y410-L414 WeakPolarHBondContact O-CG 3.43Å; Y410-L414 PolarHBondContact O-N 3.46Å; R411-L414 WeakPolarHBondContact O-CB 3.33Å; R411-L414 PolarHBondContact O-N 3.39Å; R411-L414 VanDerWaalsContact O-N 3.09Å; E412-L414 PolarHBondContact O-N 3.35Å; L414-E416 PolarHBondContact O-N 2.97Å; L414-M417 PolarHBondContact O-N 3.05Å; L414-M417 VanDerWaalsContact O-N 3.11Å; L414-E418 PolarHBondContact O-N 2.77Å |
| 415 | E | 97.9 | Very high | 98.1 | Very high | 112 Ų | 112 | 108.1 Ų | 108.1 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 176.8 | -72.9 | 177.3 | -158.5 | 0 | 0 | 111.5 | R411 E412 M417 E418 E419 | R411-E415 WeakPolarHBondContact O-CG 3.4Å; R411-E415 PolarHBondContact O-N 3.41Å; E412-E415 PolarHBondContact O-N 3Å; E415-M417 VanDerWaalsContact C-N 3.3Å; E415-M417 PolarHBondContact O-N 3.42Å; E415-E418 PolarHBondContact O-N 3.45Å; E415-E419 WeakPolarHBondContact O-CG 3.34Å; E415-E419 PolarHBondContact O-N 3.38Å |
| 416 | E | 98.3 | Very high | 98 | Very high | 97 Ų | 97 | 106.7 Ų | 106.7 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 173.3 | -72.3 | -164.3 | 140.6 | 0 | 0 | 112.8 | E412 L414 E419 R420 | E412-E416 WeakPolarHBondContact O-CG 3.36Å; E412-E416 PolarHBondContact O-N 2.94Å; L414-E416 PolarHBondContact O-N 2.97Å; E416-E419 WeakPolarHBondContact O-CB 3.45Å; E416-E419 PolarHBondContact O-N 2.92Å; E416-R420 VanDerWaalsContact CB-NH1 3.34Å; E416-R420 WeakPolarHBondContact O-CB 3.41Å; E416-R420 WeakPolarHBondContact O-CD 3.46Å; E416-R420 WeakPolarHBondContact O-CG 3.21Å; E416-R420 PolarHBondContact O-N 2.92Å; E416-R420 IonicContact OE1-NH2 2.71Å; E416-R420 PolarHBondContact OE1-NH2 2.92Å; E416-R420 IonicContact OE2-CZ 3.95Å; E416-R420 IonicContact OE2-NH1 2.97Å; E416-R420 PolarHBondContact OE2-NH1 2.87Å; E416-R420 IonicContact OE2-NH2 3.09Å; E416-R420 PolarHBondContact OE2-NH2 2.9Å |
| 417 | M | 97.8 | Very high | 98 | Very high | 116 Ų | 116 | 104 Ų | 104 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -73.3 | -33 | -179.7 | -72.4 | -62.6 | -70.4 | 0 | 0 | 112 | Q413 L414 E415 Q421 | Q413-M417 WeakPolarHBondContact O-CB 3.27Å; Q413-M417 VanDerWaalsContact O-CG 3.22Å; Q413-M417 WeakPolarHBondContact O-CG 3.22Å; Q413-M417 PolarHBondContact O-N 2.71Å; Q413-M417 VanDerWaalsContact O-N 3.11Å; L414-M417 PolarHBondContact O-N 3.05Å; L414-M417 VanDerWaalsContact O-N 3.11Å; E415-M417 VanDerWaalsContact C-N 3.3Å; E415-M417 PolarHBondContact O-N 3.42Å; M417-Q421 WeakPolarHBondContact O-CB 3.45Å; M417-Q421 PolarHBondContact O-N 3.48Å |
| 418 | E | 98 | Very high | 98 | Very high | 110 Ų | 110 | 104.6 Ų | 104.6 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 167.5 | -71.7 | -169.6 | -179.9 | 0 | 0 | 112.5 | L414 E415 Q421 R422 | L414-E418 PolarHBondContact O-N 2.77Å; E415-E418 PolarHBondContact O-N 3.45Å; E418-Q421 PolarHBondContact O-N 2.99Å; E418-R422 WeakPolarHBondContact O-CB 3.49Å; E418-R422 VanDerWaalsContact O-CG 3.3Å; E418-R422 WeakPolarHBondContact O-CG 3.37Å; E418-R422 PolarHBondContact O-N 3.29Å; E418-R422 PolarHBondContact O-NE 3.47Å; E418-R422 IonicContact OE2-NH2 3.17Å |
| 419 | E | 98.1 | Very high | 97.9 | Very high | 90 Ų | 90 | 107.3 Ų | 107.3 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.9 | -50.8 | 173.1 | -66.9 | -102.1 | 121.2 | 0 | 0 | 110.3 | E415 E416 Q421 R422 Q423 | E415-E419 WeakPolarHBondContact O-CG 3.34Å; E415-E419 PolarHBondContact O-N 3.38Å; E416-E419 WeakPolarHBondContact O-CB 3.45Å; E416-E419 PolarHBondContact O-N 2.92Å; E419-Q421 VanDerWaalsContact C-N 3.32Å; E419-Q421 PolarHBondContact O-N 2.96Å; E419-R422 WeakPolarHBondContact O-CB 3.39Å; E419-R422 PolarHBondContact O-N 3.19Å; E419-R422 IonicContact OE1-CZ 3.78Å; E419-R422 IonicContact OE1-NH1 2.98Å; E419-R422 PolarHBondContact OE1-NH1 2.91Å; E419-R422 IonicContact OE1-NH2 2.79Å; E419-Q423 WeakPolarHBondContact O-CB 3.45Å; E419-Q423 VanDerWaalsContact O-CG 3.24Å; E419-Q423 WeakPolarHBondContact O-CG 3.38Å; E419-Q423 PolarHBondContact O-N 3.33Å |
| 420 | R | 98.3 | Very high | 97.9 | Very high | 105 Ų | 105 | 106 Ų | 106 | 40% | 0.396 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 174.9 | -70.7 | 162.4 | -174.9 | 133.6 | 11 | 111 | E416 Q423 L424 | E416-R420 VanDerWaalsContact CB-NH1 3.34Å; E416-R420 WeakPolarHBondContact O-CB 3.41Å; E416-R420 WeakPolarHBondContact O-CD 3.46Å; E416-R420 WeakPolarHBondContact O-CG 3.21Å; E416-R420 PolarHBondContact O-N 2.92Å; E416-R420 IonicContact OE1-NH2 2.71Å; E416-R420 PolarHBondContact OE1-NH2 2.92Å; E416-R420 IonicContact OE2-CZ 3.95Å; E416-R420 IonicContact OE2-NH1 2.97Å; E416-R420 PolarHBondContact OE2-NH1 2.87Å; E416-R420 IonicContact OE2-NH2 3.09Å; E416-R420 PolarHBondContact OE2-NH2 2.9Å; R420-Q423 PolarHBondContact O-N 3.38Å; R420-L424 VanDerWaalsContact O-CD1 3.27Å; R420-L424 WeakPolarHBondContact O-CD1 3.41Å; R420-L424 PolarHBondContact O-N 3.37Å |
| 421 | Q | 96.6 | Very high | 97.9 | Very high | 96 Ų | 96 | 103.5 Ų | 103.5 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -41 | 176.8 | -164.2 | -169.2 | 69.3 | 0 | 0 | 112.4 | M417 E418 E419 L424 R425 | M417-Q421 WeakPolarHBondContact O-CB 3.45Å; M417-Q421 PolarHBondContact O-N 3.48Å; E418-Q421 PolarHBondContact O-N 2.99Å; E419-Q421 VanDerWaalsContact C-N 3.32Å; E419-Q421 PolarHBondContact O-N 2.96Å; Q421-L424 PolarHBondContact O-N 3.24Å; Q421-R425 WeakPolarHBondContact O-CB 3.47Å; Q421-R425 VanDerWaalsContact O-CG 3.28Å; Q421-R425 WeakPolarHBondContact O-CG 3.38Å; Q421-R425 PolarHBondContact O-N 3.33Å |
| 422 | R | 98.1 | Very high | 97.8 | Very high | 117 Ų | 117 | 102 Ų | 102 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 174.7 | -77 | 179 | -99.6 | 131.4 | -7.1 | 111.2 | E418 E419 R425 S426 | E418-R422 WeakPolarHBondContact O-CB 3.49Å; E418-R422 VanDerWaalsContact O-CG 3.3Å; E418-R422 WeakPolarHBondContact O-CG 3.37Å; E418-R422 PolarHBondContact O-N 3.29Å; E418-R422 PolarHBondContact O-NE 3.47Å; E418-R422 IonicContact OE2-NH2 3.17Å; E419-R422 WeakPolarHBondContact O-CB 3.39Å; E419-R422 PolarHBondContact O-N 3.19Å; E419-R422 IonicContact OE1-CZ 3.78Å; E419-R422 IonicContact OE1-NH1 2.98Å; E419-R422 PolarHBondContact OE1-NH1 2.91Å; E419-R422 IonicContact OE1-NH2 2.79Å; R422-R425 PolarHBondContact O-N 2.8Å; R422-S426 PolarHBondContact O-N 2.95Å; R422-S426 PolarHBondContact O-OG 3.1Å |
| 423 | Q | 97.9 | Very high | 97.8 | Very high | 118 Ų | 118 | 101.5 Ų | 101.5 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 176.3 | -68.5 | 167.8 | 21.3 | 0 | 0 | 112.6 | E419 R420 S426 G427 | E419-Q423 WeakPolarHBondContact O-CB 3.45Å; E419-Q423 VanDerWaalsContact O-CG 3.24Å; E419-Q423 WeakPolarHBondContact O-CG 3.38Å; E419-Q423 PolarHBondContact O-N 3.33Å; R420-Q423 PolarHBondContact O-N 3.38Å; Q423-S426 PolarHBondContact O-OG 3.49Å; Q423-S426 VanDerWaalsContact O-OG 3.08Å; Q423-G427 PolarHBondContact O-N 2.9Å |
| 424 | L | 98.3 | Very high | 97.7 | Very high | 125 Ų | 125 | 101.7 Ų | 101.7 | 65% | 0.654 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 175.4 | -95.3 | 70.8 | 0 | 0 | 0 | 111.6 | R420 Q421 G427 V428 | R420-L424 VanDerWaalsContact O-CD1 3.27Å; R420-L424 WeakPolarHBondContact O-CD1 3.41Å; R420-L424 PolarHBondContact O-N 3.37Å; Q421-L424 PolarHBondContact O-N 3.24Å; L424-G427 PolarHBondContact O-N 3.04Å; L424-V428 WeakPolarHBondContact O-CG2 3.34Å; L424-V428 PolarHBondContact O-N 3.01Å |
| 425 | R | 98.2 | Very high | 97.7 | Very high | 151 Ų | 151 | 99.7 Ų | 99.7 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61 | -46.1 | 177.6 | -75.6 | 174.4 | -179.1 | -175.9 | 4.6 | 112.1 | Q421 R422 V428 Q429 | Q421-R425 WeakPolarHBondContact O-CB 3.47Å; Q421-R425 VanDerWaalsContact O-CG 3.28Å; Q421-R425 WeakPolarHBondContact O-CG 3.38Å; Q421-R425 PolarHBondContact O-N 3.33Å; R422-R425 PolarHBondContact O-N 2.8Å; R425-V428 PolarHBondContact O-N 3.21Å; R425-Q429 WeakPolarHBondContact O-CG 3.44Å; R425-Q429 PolarHBondContact O-N 3.49Å |
| 426 | S | 97.8 | Very high | 97.7 | Very high | 59 Ų | 59 | 99.3 Ų | 99.3 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.9 | -38.2 | 178.1 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | R422 Q423 V428 Q429 V430 | R422-S426 PolarHBondContact O-N 2.95Å; R422-S426 PolarHBondContact O-OG 3.1Å; Q423-S426 PolarHBondContact O-OG 3.49Å; Q423-S426 VanDerWaalsContact O-OG 3.08Å; S426-V428 PolarHBondContact O-N 2.94Å; S426-Q429 PolarHBondContact O-N 3Å; S426-V430 WeakPolarHBondContact O-CG2 3.5Å; S426-V430 PolarHBondContact O-N 2.96Å |
| 427 | G | 97.9 | Very high | 97.7 | Very high | 41 Ų | 41 | 99.2 Ų | 99.2 | 42% | 0.423 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q423 L424 V430 Q431 | Q423-G427 PolarHBondContact O-N 2.9Å; L424-G427 PolarHBondContact O-N 3.04Å; G427-V430 PolarHBondContact O-N 2.96Å; G427-Q431 PolarHBondContact O-N 2.89Å |
| 428 | V | 97.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 99.5 Ų | 99.5 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 174.9 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | L424 R425 S426 V430 Q431 Q432 | L424-V428 WeakPolarHBondContact O-CG2 3.34Å; L424-V428 PolarHBondContact O-N 3.01Å; R425-V428 PolarHBondContact O-N 3.21Å; S426-V428 PolarHBondContact O-N 2.94Å; V428-V430 PolarHBondContact O-N 3.17Å; V428-Q431 PolarHBondContact O-N 3.4Å; V428-Q432 HydrophobicContact CG1-CG 4.36Å; V428-Q432 WeakPolarHBondContact O-CG 3.34Å; V428-Q432 PolarHBondContact O-N 2.93Å |
| 429 | Q | 97.2 | Very high | 97.6 | Very high | 129 Ų | 129 | 99.8 Ų | 99.8 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 176 | -74.4 | 172.6 | -14.7 | 0 | 0 | 112.2 | R425 S426 Q431 Q432 Q433 | R425-Q429 WeakPolarHBondContact O-CG 3.44Å; R425-Q429 PolarHBondContact O-N 3.49Å; S426-Q429 PolarHBondContact O-N 3Å; Q429-Q431 VanDerWaalsContact C-N 3.33Å; Q429-Q431 PolarHBondContact O-N 2.87Å; Q429-Q432 PolarHBondContact O-N 3.26Å; Q429-Q433 PolarHBondContact O-N 3.18Å |
| 430 | V | 97.6 | Very high | 97.5 | Very high | 78 Ų | 78 | 101.6 Ų | 101.6 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 175.7 | 170 | 0 | 0 | 0 | 0 | 111.4 | S426 G427 V428 Q433 K434 | S426-V430 WeakPolarHBondContact O-CG2 3.5Å; S426-V430 PolarHBondContact O-N 2.96Å; G427-V430 PolarHBondContact O-N 2.96Å; V428-V430 PolarHBondContact O-N 3.17Å; V430-Q433 PolarHBondContact O-N 3.4Å; V430-K434 HydrophobicContact CG1-CD 4.32Å; V430-K434 WeakPolarHBondContact O-CG 3.49Å; V430-K434 PolarHBondContact O-N 2.91Å |
| 431 | Q | 97.3 | Very high | 97.4 | Very high | 98 Ų | 98 | 101.6 Ų | 101.6 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.4 | -38.6 | 177.7 | -169 | 58.2 | 41.5 | 0 | 0 | 112.4 | G427 V428 Q429 Q433 K434 N435 | G427-Q431 PolarHBondContact O-N 2.89Å; V428-Q431 PolarHBondContact O-N 3.4Å; Q429-Q431 VanDerWaalsContact C-N 3.33Å; Q429-Q431 PolarHBondContact O-N 2.87Å; Q431-Q433 VanDerWaalsContact C-N 3.3Å; Q431-Q433 PolarHBondContact O-N 3.35Å; Q431-K434 PolarHBondContact O-N 2.85Å; Q431-N435 PolarHBondContact NE2-OD1 3.19Å; Q431-N435 WeakPolarHBondContact O-CB 3.42Å; Q431-N435 VanDerWaalsContact O-CG 3.26Å; Q431-N435 PolarHBondContact O-N 3.09Å; Q431-N435 PolarHBondContact O-OD1 2.91Å |
| 432 | Q | 96.9 | Very high | 97.5 | Very high | 104 Ų | 104 | 105.6 Ų | 105.6 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 172.5 | -74.4 | 175.7 | 0.4 | 0 | 0 | 111.8 | V428 Q429 N435 K436 | V428-Q432 HydrophobicContact CG1-CG 4.36Å; V428-Q432 WeakPolarHBondContact O-CG 3.34Å; V428-Q432 PolarHBondContact O-N 2.93Å; Q429-Q432 PolarHBondContact O-N 3.26Å; Q432-N435 PolarHBondContact O-N 3.17Å; Q432-K436 WeakPolarHBondContact O-CG 3.27Å; Q432-K436 PolarHBondContact O-N 3.36Å; Q432-K436 VanDerWaalsContact O-N 3.14Å |
| 433 | Q | 97.3 | Very high | 97.4 | Very high | 87 Ų | 87 | 104.6 Ų | 104.6 | 41% | 0.407 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 177.5 | -177.9 | 56.1 | 27.1 | 0 | 0 | 111.8 | Q429 V430 Q431 N435 K436 E437 | Q429-Q433 PolarHBondContact O-N 3.18Å; V430-Q433 PolarHBondContact O-N 3.4Å; Q431-Q433 VanDerWaalsContact C-N 3.3Å; Q431-Q433 PolarHBondContact O-N 3.35Å; Q433-N435 VanDerWaalsContact C-N 3.3Å; Q433-N435 PolarHBondContact O-N 2.99Å; Q433-K436 WeakPolarHBondContact O-CB 3.47Å; Q433-K436 PolarHBondContact O-N 3.25Å; Q433-E437 WeakPolarHBondContact CG-OE1 3.39Å; Q433-E437 PolarHBondContact NE2-OE1 3.15Å; Q433-E437 WeakPolarHBondContact O-CG 3.46Å; Q433-E437 PolarHBondContact O-N 3.36Å |
| 434 | K | 97.7 | Very high | 97.3 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 46% | 0.457 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 174.1 | -72.6 | 172.6 | 178.9 | 176.6 | 0 | 113 | V430 Q431 E437 M438 | V430-K434 HydrophobicContact CG1-CD 4.32Å; V430-K434 WeakPolarHBondContact O-CG 3.49Å; V430-K434 PolarHBondContact O-N 2.91Å; Q431-K434 PolarHBondContact O-N 2.85Å; K434-E437 PolarHBondContact O-N 3.33Å; K434-M438 WeakPolarHBondContact O-CB 3.37Å; K434-M438 WeakPolarHBondContact O-CG 3.25Å; K434-M438 PolarHBondContact O-N 2.89Å |
| 435 | N | 97.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 99.6 Ų | 99.6 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 177.1 | -73.2 | 10.9 | 0 | 0 | 0 | 111.2 | Q431 Q432 Q433 E437 M438 E439 | Q431-N435 PolarHBondContact NE2-OD1 3.19Å; Q431-N435 WeakPolarHBondContact O-CB 3.42Å; Q431-N435 VanDerWaalsContact O-CG 3.26Å; Q431-N435 PolarHBondContact O-N 3.09Å; Q431-N435 PolarHBondContact O-OD1 2.91Å; Q432-N435 PolarHBondContact O-N 3.17Å; Q433-N435 VanDerWaalsContact C-N 3.3Å; Q433-N435 PolarHBondContact O-N 2.99Å; N435-E437 PolarHBondContact O-N 3.26Å; N435-M438 PolarHBondContact O-N 3.5Å; N435-E439 WeakPolarHBondContact O-CG 3.5Å; N435-E439 PolarHBondContact O-N 3.23Å |
| 436 | K | 97.4 | Very high | 96.9 | Very high | 104 Ų | 104 | 94.9 Ų | 94.9 | 45% | 0.452 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.9 | -68.1 | 167.3 | -175.6 | 174.9 | 0 | 112.4 | Q432 Q433 E439 Q440 | Q432-K436 WeakPolarHBondContact O-CG 3.27Å; Q432-K436 PolarHBondContact O-N 3.36Å; Q432-K436 VanDerWaalsContact O-N 3.14Å; Q433-K436 WeakPolarHBondContact O-CB 3.47Å; Q433-K436 PolarHBondContact O-N 3.25Å; K436-E439 PolarHBondContact O-N 3.14Å; K436-Q440 WeakPolarHBondContact O-CB 3.29Å; K436-Q440 VanDerWaalsContact O-CG 3.27Å; K436-Q440 WeakPolarHBondContact O-CG 3.37Å; K436-Q440 PolarHBondContact O-N 2.93Å |
| 437 | E | 97.4 | Very high | 96.7 | Very high | 94 Ų | 94 | 98.2 Ų | 98.2 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 177.1 | -70.9 | 162.9 | -173.1 | 0 | 0 | 111.5 | Q433 K434 N435 Q440 L441 | Q433-E437 WeakPolarHBondContact CG-OE1 3.39Å; Q433-E437 PolarHBondContact NE2-OE1 3.15Å; Q433-E437 WeakPolarHBondContact O-CG 3.46Å; Q433-E437 PolarHBondContact O-N 3.36Å; K434-E437 PolarHBondContact O-N 3.33Å; N435-E437 PolarHBondContact O-N 3.26Å; E437-Q440 PolarHBondContact O-N 3.06Å; E437-L441 WeakPolarHBondContact O-CB 3.21Å; E437-L441 PolarHBondContact O-N 3.21Å |
| 438 | M | 97.4 | Very high | 96.5 | Very high | 123 Ų | 123 | 101 Ų | 101 | 61% | 0.606 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.4 | -37.8 | 172.8 | -75 | -63.1 | -56.4 | 0 | 0 | 112.9 | K434 N435 L441 R442 | K434-M438 WeakPolarHBondContact O-CB 3.37Å; K434-M438 WeakPolarHBondContact O-CG 3.25Å; K434-M438 PolarHBondContact O-N 2.89Å; N435-M438 PolarHBondContact O-N 3.5Å; M438-L441 PolarHBondContact O-N 2.91Å; M438-R442 WeakPolarHBondContact O-CB 3.49Å; M438-R442 PolarHBondContact O-N 2.95Å |
| 439 | E | 96.1 | Very high | 96.2 | Very high | 116 Ų | 116 | 101.6 Ų | 101.6 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 175.1 | -75.7 | 166.4 | -171.7 | 0 | 0 | 111.6 | N435 K436 R442 L443 | N435-E439 WeakPolarHBondContact O-CG 3.5Å; N435-E439 PolarHBondContact O-N 3.23Å; K436-E439 PolarHBondContact O-N 3.14Å; E439-R442 WeakPolarHBondContact O-CB 3.48Å; E439-R442 PolarHBondContact O-N 3.05Å; E439-L443 WeakPolarHBondContact O-CG 3.35Å; E439-L443 PolarHBondContact O-N 3.49Å |
| 440 | Q | 96.9 | Very high | 95.8 | Very high | 127 Ų | 127 | 99 Ų | 99 | 59% | 0.593 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.6 | -47.3 | 173.1 | -73.7 | 168.9 | -1.2 | 0 | 0 | 111.5 | K436 E437 R442 L443 S444 | K436-Q440 WeakPolarHBondContact O-CB 3.29Å; K436-Q440 VanDerWaalsContact O-CG 3.27Å; K436-Q440 WeakPolarHBondContact O-CG 3.37Å; K436-Q440 PolarHBondContact O-N 2.93Å; E437-Q440 PolarHBondContact O-N 3.06Å; Q440-R442 VanDerWaalsContact C-N 3.3Å; Q440-R442 PolarHBondContact O-N 3.13Å; Q440-L443 PolarHBondContact O-N 3.43Å; Q440-S444 PolarHBondContact O-N 3.26Å |
| 441 | L | 97.1 | Very high | 95.3 | Very high | 106 Ų | 106 | 99 Ų | 99 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.4 | -34.9 | 176.1 | -174.5 | 65.9 | 0 | 0 | 0 | 112.3 | E437 M438 S444 L445 | E437-L441 WeakPolarHBondContact O-CB 3.21Å; E437-L441 PolarHBondContact O-N 3.21Å; M438-L441 PolarHBondContact O-N 2.91Å; L441-S444 PolarHBondContact O-OG 3.25Å; L441-L445 VanDerWaalsContact O-CB 3.27Å; L441-L445 WeakPolarHBondContact O-CB 3.38Å; L441-L445 PolarHBondContact O-N 3.47Å |
| 442 | R | 97.3 | Very high | 94.9 | Very high | 179 Ų | 179 | 100.9 Ų | 100.9 | 68% | 0.675 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.7 | -37.2 | 174.7 | -160.1 | -163.5 | 84.3 | 104.4 | 2.9 | 111.8 | M438 E439 Q440 A446 | M438-R442 WeakPolarHBondContact O-CB 3.49Å; M438-R442 PolarHBondContact O-N 2.95Å; E439-R442 WeakPolarHBondContact O-CB 3.48Å; E439-R442 PolarHBondContact O-N 3.05Å; Q440-R442 VanDerWaalsContact C-N 3.3Å; Q440-R442 PolarHBondContact O-N 3.13Å; R442-A446 WeakPolarHBondContact O-CB 3.36Å; R442-A446 PolarHBondContact O-N 2.85Å; R442-A446 VanDerWaalsContact O-N 3.13Å |
| 443 | L | 96.4 | Very high | 94.3 | Very high | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.5 | -50.5 | 176.3 | -72 | 167.8 | 0 | 0 | 0 | 111.1 | E439 Q440 L445 A446 E447 | E439-L443 WeakPolarHBondContact O-CG 3.35Å; E439-L443 PolarHBondContact O-N 3.49Å; Q440-L443 PolarHBondContact O-N 3.43Å; L443-L445 VanDerWaalsContact C-N 3.31Å; L443-L445 PolarHBondContact O-N 3.47Å; L443-A446 WeakPolarHBondContact O-CA 3.1Å; L443-A446 WeakPolarHBondContact O-CB 3.35Å; L443-A446 PolarHBondContact O-N 3.13Å; L443-E447 WeakPolarHBondContact O-CG 3.47Å; L443-E447 PolarHBondContact O-N 3.21Å |
| 444 | S | 95.5 | Very high | 93.4 | Very high | 46 Ų | 46 | 103.2 Ų | 103.2 | 32% | 0.322 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 179.3 | 68 | 0 | 0 | 0 | 0 | 112.4 | Q440 L441 A446 E447 E448 | Q440-S444 PolarHBondContact O-N 3.26Å; L441-S444 PolarHBondContact O-OG 3.25Å; S444-A446 VanDerWaalsContact C-N 3.34Å; S444-A446 PolarHBondContact O-N 3.06Å; S444-E447 PolarHBondContact O-N 2.9Å; S444-E448 PolarHBondContact O-N 3Å |
| 445 | L | 95.3 | Very high | 92.3 | Very high | 92 Ų | 92 | 104.8 Ų | 104.8 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -33.1 | 174.2 | -174.3 | 64 | 0 | 0 | 0 | 112.3 | L441 L443 L449 | L441-L445 VanDerWaalsContact O-CB 3.27Å; L441-L445 WeakPolarHBondContact O-CB 3.38Å; L441-L445 PolarHBondContact O-N 3.47Å; L443-L445 VanDerWaalsContact C-N 3.31Å; L443-L445 PolarHBondContact O-N 3.47Å; L445-L449 HydrophobicContact CG-CD1 4.29Å; L445-L449 WeakPolarHBondContact O-CB 3.31Å; L445-L449 WeakPolarHBondContact O-CG 3.22Å; L445-L449 PolarHBondContact O-N 3.37Å |
| 446 | A | 93.8 | Very high | 90.6 | Very high | 51 Ų | 51 | 107 Ų | 107 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.3 | -35.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R442 L443 S444 S450 | R442-A446 WeakPolarHBondContact O-CB 3.36Å; R442-A446 PolarHBondContact O-N 2.85Å; R442-A446 VanDerWaalsContact O-N 3.13Å; L443-A446 WeakPolarHBondContact O-CA 3.1Å; L443-A446 WeakPolarHBondContact O-CB 3.35Å; L443-A446 PolarHBondContact O-N 3.13Å; S444-A446 VanDerWaalsContact C-N 3.34Å; S444-A446 PolarHBondContact O-N 3.06Å; A446-S450 WeakPolarHBondContact O-CB 3.38Å; A446-S450 PolarHBondContact O-N 3.16Å |
| 447 | E | 93.3 | Very high | 88.5 | Confident | 129 Ų | 129 | 107.1 Ų | 107.1 | 60% | 0.603 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.4 | -48 | 171.7 | -70.3 | 169 | -170.1 | 0 | 0 | 111.3 | L443 S444 L449 S450 T451 | L443-E447 WeakPolarHBondContact O-CG 3.47Å; L443-E447 PolarHBondContact O-N 3.21Å; S444-E447 PolarHBondContact O-N 2.9Å; E447-L449 PolarHBondContact O-N 3.2Å; E447-S450 WeakPolarHBondContact O-CA 3.35Å; E447-S450 VanDerWaalsContact O-CB 3.29Å; E447-S450 WeakPolarHBondContact O-CB 3.4Å; E447-S450 PolarHBondContact O-N 3Å; E447-S450 VanDerWaalsContact O-N 3.1Å; E447-T451 PolarHBondContact O-N 3.49Å |
| 448 | E | 93.6 | Very high | 86.4 | Confident | 99 Ų | 99 | 112.2 Ų | 112.2 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -55.3 | -52.8 | 172.5 | -78.5 | -172.5 | -162.4 | 0 | 0 | 111.2 | S444 S450 T451 Y452 | S444-E448 PolarHBondContact O-N 3Å; E448-S450 PolarHBondContact O-N 3.14Å; E448-T451 PolarHBondContact O-N 3.19Å; E448-T451 PolarHBondContact O-OG1 3.03Å; E448-Y452 HydrophobicContact CB-CD2 4.39Å; E448-Y452 HydrophobicContact CB-CE2 4.14Å; E448-Y452 WeakPolarHBondContact O-CD2 3.42Å; E448-Y452 PolarHBondContact O-N 3.05Å |
| 449 | L | 91.1 | Very high | 83.9 | Confident | 94 Ų | 94 | 110.8 Ų | 110.8 | 49% | 0.492 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.8 | -30.1 | 177.3 | -72.9 | 170.9 | 0 | 0 | 0 | 113 | L445 E447 K453 | L445-L449 HydrophobicContact CG-CD1 4.29Å; L445-L449 WeakPolarHBondContact O-CB 3.31Å; L445-L449 WeakPolarHBondContact O-CG 3.22Å; L445-L449 PolarHBondContact O-N 3.37Å; E447-L449 PolarHBondContact O-N 3.2Å; L449-K453 WeakPolarHBondContact O-CB 3.26Å; L449-K453 WeakPolarHBondContact O-CG 3.44Å; L449-K453 PolarHBondContact O-N 2.82Å |
| 450 | S | 88.7 | Confident | 81.6 | Confident | 75 Ų | 75 | 113.5 Ų | 113.5 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.9 | -46.7 | 172.5 | -167.3 | 0 | 0 | 0 | 0 | 111.5 | A446 E447 E448 Y452 K453 A454 | A446-S450 WeakPolarHBondContact O-CB 3.38Å; A446-S450 PolarHBondContact O-N 3.16Å; E447-S450 WeakPolarHBondContact O-CA 3.35Å; E447-S450 VanDerWaalsContact O-CB 3.29Å; E447-S450 WeakPolarHBondContact O-CB 3.4Å; E447-S450 PolarHBondContact O-N 3Å; E447-S450 VanDerWaalsContact O-N 3.1Å; E448-S450 PolarHBondContact O-N 3.14Å; S450-Y452 PolarHBondContact O-N 3.26Å; S450-K453 PolarHBondContact O-N 3.21Å; S450-A454 PolarHBondContact O-N 3.28Å |
| 451 | T | 87.9 | Confident | 79.4 | Confident | 78 Ų | 78 | 115.5 Ų | 115.5 | 48% | 0.479 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.5 | -40.1 | 177 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | E447 E448 K453 A454 M455 | E447-T451 PolarHBondContact O-N 3.49Å; E448-T451 PolarHBondContact O-N 3.19Å; E448-T451 PolarHBondContact O-OG1 3.03Å; T451-K453 PolarHBondContact O-N 2.58Å; T451-A454 PolarHBondContact O-N 2.88Å; T451-M455 PolarHBondContact O-N 2.83Å; T451-M455 VanDerWaalsContact O-N 3.14Å |
| 452 | Y | 88.1 | Confident | 77 | Confident | 137 Ų | 137 | 119.4 Ų | 119.4 | 54% | 0.537 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.4 | -39.7 | 173.1 | -70.2 | -60.7 | 0 | 0 | 0 | 112.4 | E448 S450 M455 L456 | E448-Y452 HydrophobicContact CB-CD2 4.39Å; E448-Y452 HydrophobicContact CB-CE2 4.14Å; E448-Y452 WeakPolarHBondContact O-CD2 3.42Å; E448-Y452 PolarHBondContact O-N 3.05Å; S450-Y452 PolarHBondContact O-N 3.26Å; Y452-M455 HydrophobicContact CD1-CE 3.84Å; Y452-M455 HydrophobicContact CE1-CE 4.28Å; Y452-M455 PolarHBondContact O-N 2.86Å; Y452-L456 PolarHBondContact O-N 3.24Å |
| 453 | K | 85.4 | Confident | 74.1 | Confident | 154 Ų | 154 | 115.6 Ų | 115.6 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.2 | -39.4 | 173.1 | -78 | 173 | -179.4 | -176.2 | 0 | 112.5 | L449 S450 T451 M455 L456 | L449-K453 WeakPolarHBondContact O-CB 3.26Å; L449-K453 WeakPolarHBondContact O-CG 3.44Å; L449-K453 PolarHBondContact O-N 2.82Å; S450-K453 PolarHBondContact O-N 3.21Å; T451-K453 PolarHBondContact O-N 2.58Å; K453-M455 PolarHBondContact O-N 3.44Å; K453-L456 PolarHBondContact O-N 3.27Å; K453-L456 VanDerWaalsContact O-N 3.16Å |
| 454 | A | 76.9 | Confident | 71.4 | Confident | 86 Ų | 86 | 118.8 Ų | 118.8 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67 | -24.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S450 T451 | S450-A454 PolarHBondContact O-N 3.28Å; T451-A454 PolarHBondContact O-N 2.88Å |
| 455 | M | 74.6 | Confident | 68.5 | Low | 138 Ų | 138 | 121 Ų | 121 | 68% | 0.68 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -5.6 | 174 | -68.3 | -169.9 | -68.6 | 0 | 0 | 114.2 | T451 Y452 K453 | T451-M455 PolarHBondContact O-N 2.83Å; T451-M455 VanDerWaalsContact O-N 3.14Å; Y452-M455 HydrophobicContact CD1-CE 3.84Å; Y452-M455 HydrophobicContact CE1-CE 4.28Å; Y452-M455 PolarHBondContact O-N 2.86Å; K453-M455 PolarHBondContact O-N 3.44Å |
| 456 | L | 62.9 | Low | 66.4 | Low | 123 Ų | 123 | 121.9 Ų | 121.9 | 64% | 0.644 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -87.8 | 130.5 | 174.5 | -80.8 | 159 | 0 | 0 | 0 | 110.6 | Y452 K453 | Y452-L456 PolarHBondContact O-N 3.24Å; K453-L456 PolarHBondContact O-N 3.27Å; K453-L456 VanDerWaalsContact O-N 3.16Å |
| 457 | P | 52.5 | Low | 63.8 | Low | 105 Ų | 105 | 126.4 Ų | 126.4 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | trans | -67 | 141.2 | 177.7 | 27.4 | -33.7 | 0 | 0 | 0 | 111.5 | S459 | P457-S459 VanDerWaalsContact C-N 3.33Å; P457-S459 PolarHBondContact O-N 3.43Å | ||
| 458 | K | 53.9 | Low | 61.4 | Low | 202 Ų | 202 | 125.7 Ų | 125.7 | 88% | 0.878 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -68.5 | 76.6 | -175.7 | -68.7 | -167.2 | 172 | -160.8 | 0 | 113.5 | ||
| 459 | S | 44.7 | Very low | 59 | Low | 93 Ų | 93 | 130.3 Ų | 130.3 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | trans | -148.3 | 43.6 | 177.4 | 69.5 | 0 | 0 | 0 | 0 | 114.5 | P457 | P457-S459 VanDerWaalsContact C-N 3.33Å; P457-S459 PolarHBondContact O-N 3.43Å | ||
| 460 | L | 49 | Very low | 56.7 | Low | 172 Ų | 172 | 130.9 Ų | 130.9 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | trans | -158.4 | 44 | 162.4 | -143.7 | 78 | 0 | 0 | 0 | 115.2 | Q462 | L460-Q462 PolarHBondContact O-N 2.91Š| ||
| 461 | E | 49 | Very low | 54.3 | Low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -90.1 | 91.3 | 169.9 | -73.3 | 178.1 | 149.2 | 0 | 0 | 110.8 | ||||
| 462 | Q | 46.3 | Very low | 52.4 | Low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 176.4 | 103.7 | 152.9 | -103.7 | 169.4 | 16.2 | 0 | 0 | 111.6 | L460 | L460-Q462 PolarHBondContact O-N 2.91Š| ||
| 463 | A | 38.2 | Very low | 50.4 | Low | 100 Ų | 100 | 132.7 Ų | 132.7 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -173.4 | 97.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 464 | D | 38 | Very low | 48.6 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -76.6 | 167.4 | 178.6 | -72.4 | -72.8 | 0 | 0 | 0 | 113.9 | ||||
| 465 | A | 34.6 | Very low | 47.2 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -84.8 | -167.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 466 | P | 52.8 | Low | 45.9 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -128.7 | 177.8 | -19.3 | 38.1 | -22.6 | 0 | 0 | 0 | 113.2 | ||||
| 467 | T | 37.5 | Very low | 45.1 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -131.8 | 115.8 | 160.5 | -44.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 468 | S | 44.1 | Very low | 45 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -79.4 | 137.2 | 173.1 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 469 | Q | 42.7 | Very low | 44.5 | Very low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -146.7 | 118.6 | 153.3 | -151.3 | 168.3 | 14.4 | 0 | 0 | 111.3 | ||||
| 470 | A | 42.2 | Very low | 44.4 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -81.1 | 137.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 471 | G | 39.8 | Very low | 44.1 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 86% | 0.855 | S | S | * | * | trans | -144.2 | 78.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 472 | G | 47 | Very low | 43.8 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 83% | 0.825 | 86% | 0.858 | S | S | * | * | trans | -70.7 | 136 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 473 | M | 46.5 | Very low | 43.7 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 87% | 0.867 | 86% | 0.857 | S | S | * | * | trans | -131.3 | 103.2 | 167.9 | -70.8 | -167.1 | 172.9 | 0 | 0 | 109.1 | T475 | M473-T475 PolarHBondContact O-N 2.87Š| ||
| 474 | E | 46.5 | Very low | 44 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 86% | 0.858 | S | S | * | * | trans | -75.5 | 114 | 171.2 | -61.5 | 178.6 | 142.5 | 0 | 0 | 109 | ||||
| 475 | T | 48.4 | Very low | 44.4 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 86% | 0.857 | S | S | * | * | trans | -103.9 | 94.2 | 170.3 | 54.8 | 0 | 0 | 0 | 0 | 109.8 | M473 S477 | M473-T475 PolarHBondContact O-N 2.87Å; T475-S477 PolarHBondContact O-N 3.12Å | ||
| 476 | Q | 46.6 | Very low | 45 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 86% | 0.864 | S | S | * | * | trans | -61.5 | 117.1 | 166.6 | -69.4 | -178.3 | -11.2 | 0 | 0 | 109.3 | ||||
| 477 | S | 46.1 | Very low | 44.4 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 87% | 0.873 | S | S | * | * | trans | -105.7 | 107.3 | 169.3 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | T475 G479 | T475-S477 PolarHBondContact O-N 3.12Å; S477-G479 PolarHBondContact O-N 3.28Å; S477-G479 VanDerWaalsContact O-N 3.14Å | ||
| 478 | Q | 50.8 | Low | 44.9 | Very low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 87% | 0.872 | S | S | * | * | trans | -75 | 98.4 | 172.8 | -70.6 | 178.1 | -23 | 0 | 0 | 109 | ||||
| 479 | G | 42.8 | Very low | 45 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 88% | 0.877 | S | S | * | * | trans | -93 | 123.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S477 | S477-G479 PolarHBondContact O-N 3.28Å; S477-G479 VanDerWaalsContact O-N 3.14Å | ||
| 480 | A | 42.8 | Very low | 45.2 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 84% | 0.843 | 87% | 0.874 | S | S | * | * | trans | -92.9 | 136.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 481 | V | 42.8 | Very low | 45.5 | Very low | 221 Ų | 221 | 139.1 Ų | 139.1 | 100% | 1.339 | 87% | 0.874 | S | S | * | * | trans | -135.4 | 0 | 139.1 | -178 | 0 | 0 | 0 | 0 | 106.2 |
Retrieved 481 of 481 residues in 1967.2 ms
(Link to these results)