| 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 | 39.5 | Very low | 39.2 | Very low | 238 Ų | 238 | 165.6 Ų | 165.6 | 100% | 1.172 | 84% | 0.841 | S | S | * | * | 0 | 123.6 | 0 | -61.5 | 174.2 | -151.4 | 0 | 0 | 106.3 | |||||
| 2 | I | 34.3 | Very low | 39.2 | Very low | 151 Ų | 151 | 167.5 Ų | 167.5 | 77% | 0.774 | 84% | 0.839 | S | S | * | * | trans | -142.4 | 129.9 | -179.2 | -60.2 | 175.2 | 0 | 0 | 0 | 104.5 | ||||
| 3 | F | 41.7 | Very low | 38.9 | Very low | 182 Ų | 182 | 161.9 Ų | 161.9 | 80% | 0.798 | 83% | 0.826 | S | S | * | * | trans | -107.5 | 110.3 | 162 | -79.2 | -86.4 | 0 | 0 | 0 | 104.9 | ||||
| 4 | E | 40.6 | Very low | 39 | Very low | 159 Ų | 159 | 162.1 Ų | 162.1 | 74% | 0.743 | 83% | 0.83 | S | S | * | * | 75.5 | 106.9 | 80 | -74.6 | -179.7 | 172.2 | 0 | 0 | 111 | |||||
| 5 | S | 39.3 | Very low | 38.5 | Very low | 111 Ų | 111 | 161.6 Ų | 161.6 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | trans | -121.7 | 116.6 | 169.9 | 48.3 | 0 | 0 | 0 | 0 | 107 | D7 | S5-D7 PolarHBondContact O-N 3.24Š| ||
| 6 | E | 48.7 | Very low | 38.6 | Very low | 185 Ų | 185 | 160.6 Ų | 160.6 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -85.7 | 97.4 | -174.5 | -66.3 | -174.2 | 115.7 | 0 | 0 | 111.7 | N8 | E6-N8 PolarHBondContact O-N 3.33Š| ||
| 7 | D | 40.2 | Very low | 38.2 | Very low | 168 Ų | 168 | 158.1 Ų | 158.1 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | -74.3 | 116.3 | 160.1 | -80 | -45.4 | 0 | 0 | 0 | 109.4 | S5 | S5-D7 PolarHBondContact O-N 3.24Š| ||
| 8 | N | 38.8 | Very low | 38.1 | Very low | 134 Ų | 134 | 163.3 Ų | 163.3 | 72% | 0.717 | 84% | 0.84 | S | S | * | * | trans | -133.3 | 81.3 | -177.7 | -163.1 | -5.3 | 0 | 0 | 0 | 112.5 | E6 | E6-N8 PolarHBondContact O-N 3.33Š| ||
| 9 | W | 36 | Very low | 38.1 | Very low | 253 Ų | 253 | 163.8 Ų | 163.8 | 96% | 0.958 | 84% | 0.835 | S | S | * | * | trans | -130.6 | 109.5 | 169.7 | -94.5 | 72.3 | 0 | 0 | 0 | 110.4 | ||||
| 10 | N | 34 | Very low | 37.9 | Very low | 150 Ų | 150 | 163.9 Ų | 163.9 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | -147 | 91.1 | 178 | -171.4 | -3.3 | 0 | 0 | 0 | 111.8 | ||||
| 11 | A | 38.6 | Very low | 37.7 | Very low | 91 Ų | 91 | 161.2 Ų | 161.2 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | trans | -146.6 | 75.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 12 | K | 39 | Very low | 37.5 | Very low | 188 Ų | 188 | 158 Ų | 158 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | trans | 30.1 | 103.2 | 149.3 | -72.1 | 174.6 | 177.1 | 171.8 | 0 | 119.3 | ||||
| 13 | S | 35.3 | Very low | 37.5 | Very low | 95 Ų | 95 | 155.3 Ų | 155.3 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | 31.9 | 119.8 | 121.4 | 62.2 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 14 | N | 40.1 | Very low | 37 | Very low | 165 Ų | 165 | 154.5 Ų | 154.5 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | -163.7 | 144.6 | 105.3 | -96.4 | -23.2 | 0 | 0 | 0 | 112.7 | |||||
| 15 | N | 31 | Very low | 36.8 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -87.1 | 142.4 | 177.9 | -100.9 | -38.4 | 0 | 0 | 0 | 111.8 | ||||
| 16 | T | 40.1 | Very low | 36.6 | Very low | 146 Ų | 146 | 153.8 Ų | 153.8 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -166.1 | 135.7 | 134 | 6.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 17 | S | 32.3 | Very low | 36 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -82.6 | 134.2 | -173.2 | -46.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 18 | R | 36.5 | Very low | 35.8 | Very low | 252 Ų | 252 | 149.4 Ų | 149.4 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | -146 | 164.3 | 143.7 | -116.5 | 175.7 | -175.8 | -159.2 | -1 | 111.3 | ||||
| 19 | K | 37.3 | Very low | 35.4 | Very low | 173 Ų | 173 | 150 Ų | 150 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -108.6 | 164.2 | -156.8 | -60.4 | 177.1 | 178.6 | 179.3 | 0 | 113.4 | ||||
| 20 | H | 33.9 | Very low | 35.4 | Very low | 165 Ų | 165 | 143 Ų | 143 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | 92.4 | 149 | 154.8 | -57.9 | -68.2 | 0 | 0 | 0 | 119.7 | ||||
| 21 | S | 35 | Very low | 35.4 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | 58.6 | 95.6 | 165.8 | 40 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 22 | I | 34.2 | Very low | 35.5 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -91.7 | 109.5 | 149.6 | -62.2 | 175.4 | 0 | 0 | 0 | 106.9 | ||||
| 23 | S | 35.2 | Very low | 35.4 | Very low | 95 Ų | 95 | 145.3 Ų | 145.3 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | trans | -95.3 | 130 | 168.5 | -62 | 0 | 0 | 0 | 0 | 108.9 | L25 | S23-L25 PolarHBondContact O-N 2.72Š| ||
| 24 | I | 31.1 | Very low | 35.2 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -74.4 | 117.9 | 177.3 | -58.9 | 169.4 | 0 | 0 | 0 | 108.1 | ||||
| 25 | L | 35.2 | Very low | 35.1 | Very low | 156 Ų | 156 | 147 Ų | 147 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | trans | -114.7 | 129.9 | 172.2 | -113.3 | 73.5 | 0 | 0 | 0 | 110.6 | S23 | S23-L25 PolarHBondContact O-N 2.72Š| ||
| 26 | S | 35.1 | Very low | 35.3 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | -71.8 | 151.4 | 173.8 | -49.9 | 0 | 0 | 0 | 0 | 111.3 | T28 | S26-T28 PolarHBondContact O-N 3.33Å; S26-T28 VanDerWaalsContact O-N 3.15Å | ||
| 27 | P | 36.1 | Very low | 35 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | trans | -74 | 106.1 | 179.4 | 29.5 | -34.1 | 0 | 0 | 0 | 111.7 | ||||
| 28 | T | 36.2 | Very low | 35 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -84.7 | 126.5 | 164.7 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | S26 | S26-T28 PolarHBondContact O-N 3.33Å; S26-T28 VanDerWaalsContact O-N 3.15Å | ||
| 29 | T | 30.6 | Very low | 35 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -70 | 125.1 | 172.8 | 49.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 30 | S | 36.5 | Very low | 34.8 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -129.4 | 119.5 | 169.5 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 31 | S | 35 | Very low | 34.9 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -65.4 | 146.8 | 171.9 | -54 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 32 | I | 40.5 | Very low | 34.8 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -107 | 129.6 | 173.4 | -65.4 | 177.7 | 0 | 0 | 0 | 108.9 | ||||
| 33 | E | 36.6 | Very low | 34.7 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -80.4 | 161.5 | -179.5 | -64.5 | -175.7 | 121.7 | 0 | 0 | 113.1 | ||||
| 34 | S | 30.5 | Very low | 34.6 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -99.8 | 124.9 | -172.9 | 57.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 35 | I | 37.5 | Very low | 34.5 | Very low | 178 Ų | 178 | 135 Ų | 135 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -140.6 | 134.9 | 164.4 | -53 | 177.9 | 0 | 0 | 0 | 107.1 | ||||
| 36 | G | 35.8 | Very low | 34.2 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | -167.2 | 179 | -1.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 37 | H | 33.4 | Very low | 34.2 | Very low | 195 Ų | 195 | 133.1 Ų | 133.1 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | -73.6 | 150.9 | -174 | -69.2 | -51.4 | 0 | 0 | 0 | 115.4 | ||||
| 38 | N | 33.5 | Very low | 33.9 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | -153.9 | 134.4 | 122.9 | -143.2 | 3.5 | 0 | 0 | 0 | 110.8 | |||||
| 39 | P | 35.7 | Very low | 33.9 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 60% | 0.604 | 80% | 0.802 | S | S | * | * | trans | -102.6 | 160.6 | -177.9 | 38.2 | -33.1 | 0 | 0 | 0 | 113.5 | ||||
| 40 | N | 33.6 | Very low | 34 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | 176.5 | 162.6 | 128.4 | -96.4 | -37.7 | 0 | 0 | 0 | 114.8 | |||||
| 41 | N | 36 | Very low | 33.9 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 73.2 | 74.6 | 156.1 | -63.4 | -11.1 | 0 | 0 | 0 | 120.9 | ||||
| 42 | N | 33.5 | Very low | 33.9 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | 47.2 | 127.8 | 106.3 | -74.4 | -10 | 0 | 0 | 0 | 122.6 | |||||
| 43 | I | 31.7 | Very low | 33.7 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 90.7 | 136.8 | 130.1 | -70.1 | 168.6 | 0 | 0 | 0 | 119.9 | ||||
| 44 | S | 32.1 | Very low | 33.8 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | 77.4 | 91.2 | 161.7 | -72.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 45 | S | 29.8 | Very low | 33.8 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 67.3 | 123.1 | 111.9 | -55.6 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 46 | S | 29.5 | Very low | 33.6 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | 56.8 | 85.8 | 138.2 | 64.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 47 | A | 34.6 | Very low | 33.5 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -138.2 | 108.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N49 | A47-N49 PolarHBondContact O-N 3.41Š| ||
| 48 | I | 30 | Very low | 33.4 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -50 | 129.5 | 165.5 | -65.5 | 157.7 | 0 | 0 | 0 | 109.3 | ||||
| 49 | N | 36.8 | Very low | 33.3 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -143.3 | 136.8 | 155.3 | -121.2 | -28.4 | 0 | 0 | 0 | 111.3 | A47 | A47-N49 PolarHBondContact O-N 3.41Š| ||
| 50 | R | 31.3 | Very low | 33.2 | Very low | 210 Ų | 210 | 146.8 Ų | 146.8 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -97.4 | 134.8 | -173.2 | -60.9 | 172.5 | 178.9 | 169 | -2.2 | 109.7 | ||||
| 51 | M | 34.6 | Very low | 32.9 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -125.9 | 99.6 | 154.2 | -74 | -167 | 71 | 0 | 0 | 109.1 | N53 | M51-N53 PolarHBondContact O-N 3.43Š| ||
| 52 | T | 34.7 | Very low | 32.7 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 57% | 0.571 | 79% | 0.79 | S | S | * | * | trans | -84.6 | 100.9 | 178.6 | 39.9 | 0 | 0 | 0 | 0 | 110.3 | H54 | T52-H54 PolarHBondContact O-CD2 3.3Å; T52-H54 PolarHBondContact O-N 2.69Å; T52-H54 PolarHBondContact OG1-NE2 3.31Å | ||
| 53 | N | 37 | Very low | 32.7 | Very low | 160 Ų | 160 | 147 Ų | 147 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -70.1 | 100.2 | 163.8 | -76.2 | -14.8 | 0 | 0 | 0 | 108.5 | M51 S55 | M51-N53 PolarHBondContact O-N 3.43Å; N53-S55 PolarHBondContact O-N 2.84Å | ||
| 54 | H | 37.4 | Very low | 32.5 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | -73 | 112.3 | -179.1 | -75.5 | -84.8 | 0 | 0 | 0 | 110.9 | T52 K56 | T52-H54 PolarHBondContact O-CD2 3.3Å; T52-H54 PolarHBondContact O-N 2.69Å; T52-H54 PolarHBondContact OG1-NE2 3.31Å; H54-K56 PolarHBondContact O-N 3.04Å | ||
| 55 | S | 31.2 | Very low | 32.5 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -61.9 | 132 | 159 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | N53 | N53-S55 PolarHBondContact O-N 2.84Š| ||
| 56 | K | 33.7 | Very low | 32.6 | Very low | 183 Ų | 183 | 151.5 Ų | 151.5 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -148.3 | 88 | 166.8 | -81.7 | -167.7 | 175.5 | -175 | 0 | 108.5 | H54 | H54-K56 PolarHBondContact O-N 3.04Š| ||
| 57 | F | 32.8 | Very low | 32.7 | Very low | 209 Ų | 209 | 149.6 Ų | 149.6 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -169 | 68.2 | 147.4 | -96.7 | -58.2 | 0 | 0 | 0 | 110.1 | ||||
| 58 | D | 31.7 | Very low | 32.8 | Very low | 148 Ų | 148 | 152.7 Ų | 152.7 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -136.1 | 162.6 | 164.4 | -86.7 | -57 | 0 | 0 | 0 | 108.1 | ||||
| 59 | N | 32.5 | Very low | 33 | Very low | 148 Ų | 148 | 152 Ų | 152 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 70.9 | 82.8 | -175.4 | -58.6 | -19.5 | 0 | 0 | 0 | 117 | ||||
| 60 | L | 31.9 | Very low | 32.9 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 95% | 0.948 | 78% | 0.783 | S | S | * | * | trans | -138.4 | 65.2 | 139.8 | -84.9 | -170 | 0 | 0 | 0 | 111.6 | ||||
| 61 | S | 28.2 | Very low | 32.6 | Very low | 114 Ų | 114 | 157 Ų | 157 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -154.3 | 136.5 | 152.8 | -77.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 62 | S | 31.5 | Very low | 32.5 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | cis | -155.1 | 144.2 | 4.8 | 52.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 63 | E | 33.6 | Very low | 32.6 | Very low | 204 Ų | 204 | 154.4 Ų | 154.4 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | -155.9 | 151.6 | 150.1 | -127.4 | 163.1 | -149.4 | 0 | 0 | 113.5 | ||||
| 64 | Y | 27.1 | Very low | 32.9 | Very low | 203 Ų | 203 | 155.2 Ų | 155.2 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -116 | 117 | -169.9 | 170.7 | -88.3 | 0 | 0 | 0 | 108.2 | P66 | Y64-P66 HydrophobicContact CD1-CG 4.3Å; Y64-P66 HydrophobicContact CE1-CG 3.73Å | ||
| 65 | N | 33 | Very low | 32.8 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -139.6 | 98.2 | -179.5 | -161.4 | -18.7 | 0 | 0 | 0 | 112.1 | ||||
| 66 | P | 32.2 | Very low | 32.8 | Very low | 95 Ų | 95 | 159.8 Ų | 159.8 | 62% | 0.617 | 80% | 0.797 | S | S | * | * | trans | -99 | 90.1 | -174.4 | 36.4 | -32.7 | 0 | 0 | 0 | 112.7 | Y64 | Y64-P66 HydrophobicContact CD1-CG 4.3Å; Y64-P66 HydrophobicContact CE1-CG 3.73Å | ||
| 67 | S | 31 | Very low | 32.7 | Very low | 79 Ų | 79 | 158.9 Ų | 158.9 | 55% | 0.552 | 80% | 0.801 | S | S | * | * | trans | -159.4 | 147.5 | 162.7 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 68 | H | 35.8 | Very low | 32.5 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 63.9 | 138.4 | 173.2 | -55.8 | -62.5 | 0 | 0 | 0 | 117.7 | ||||
| 69 | N | 35.4 | Very low | 32.6 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | cis | -149.4 | 156.3 | -10.9 | -110.7 | -12.7 | 0 | 0 | 0 | 111.3 | ||||
| 70 | R | 33.5 | Very low | 32.6 | Very low | 234 Ų | 234 | 152.5 Ų | 152.5 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -46.3 | 147.6 | -175.6 | -71.6 | 166.9 | 158.1 | -118.7 | 0.6 | 116.5 | ||||
| 71 | W | 25.1 | Very low | 32.7 | Very low | 248 Ų | 248 | 149.7 Ų | 149.7 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -65.1 | 146.1 | 150.9 | -63.4 | -15.3 | 0 | 0 | 0 | 111.6 | ||||
| 72 | S | 34 | Very low | 33 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | trans | -177.9 | 122.1 | 141 | -106.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 73 | P | 35.1 | Very low | 33.3 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -100.3 | 102.9 | 161.8 | 32.3 | -22.1 | 0 | 0 | 0 | 110 | ||||
| 74 | E | 43.8 | Very low | 33.3 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | trans | -96.4 | 153.8 | 174.6 | -73.6 | -174 | 174.6 | 0 | 0 | 112.5 | ||||
| 75 | H | 34.8 | Very low | 33.7 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | -93.7 | 163.5 | -175 | -80.6 | -114.2 | 0 | 0 | 0 | 113.1 | ||||
| 76 | F | 32.5 | Very low | 33.8 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | trans | 59.3 | 117.9 | 160.3 | -64 | -68.5 | 0 | 0 | 0 | 118.6 | ||||
| 77 | N | 31.8 | Very low | 33.9 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | -147.1 | 163.6 | 100.6 | -147.3 | -15.1 | 0 | 0 | 0 | 111.9 | |||||
| 78 | N | 28.8 | Very low | 33.9 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | trans | -127.4 | 126.1 | -171.6 | 169.2 | 27.7 | 0 | 0 | 0 | 109.6 | ||||
| 79 | N | 32.8 | Very low | 33.9 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | -167.4 | 125.6 | 150 | -111.9 | -40.8 | 0 | 0 | 0 | 116.1 | ||||
| 80 | N | 33.4 | Very low | 33.7 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | 53.4 | 120.9 | 129.8 | -77.1 | -12.1 | 0 | 0 | 0 | 123.3 | |||||
| 81 | N | 32.8 | Very low | 33.8 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 65% | 0.647 | 78% | 0.777 | S | S | * | * | 68.3 | 104.9 | 123.8 | -58.4 | -15.7 | 0 | 0 | 0 | 120.1 | |||||
| 82 | N | 36 | Very low | 34.2 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | 164.5 | 147.5 | 85.5 | -96.9 | -27.1 | 0 | 0 | 0 | 115.1 | |||||
| 83 | N | 36.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | trans | 66.9 | 103.7 | 147.8 | -63.3 | -24.6 | 0 | 0 | 0 | 122.2 | ||||
| 84 | N | 34 | Very low | 34.4 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | 58.8 | 107.6 | 121.8 | -57.4 | -30.5 | 0 | 0 | 0 | 120.6 | |||||
| 85 | K | 35.5 | Very low | 33.8 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | -173.8 | 138.1 | 101.8 | -105 | 171.3 | -179.3 | 175.4 | 0 | 114.6 | |||||
| 86 | A | 34.1 | Very low | 33.9 | Very low | 89 Ų | 89 | 146.8 Ų | 146.8 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | 61 | 146.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 87 | S | 35.3 | Very low | 34.2 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | cis | -163.2 | 144.6 | -19.9 | -99.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 88 | N | 30.4 | Very low | 34.2 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -67.1 | 135.3 | 164.8 | -91.2 | -26.5 | 0 | 0 | 0 | 110.7 | ||||
| 89 | S | 36.4 | Very low | 34.6 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -150.8 | 113.5 | 159.9 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 90 | N | 29.8 | Very low | 34.4 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -116.7 | 105.6 | 172.4 | -177.3 | 5 | 0 | 0 | 0 | 107 | ||||
| 91 | R | 35.7 | Very low | 34.4 | Very low | 230 Ų | 230 | 149.9 Ų | 149.9 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -144.6 | 140.3 | -177.1 | -81.6 | -163.7 | 171.1 | -162 | -2.4 | 114.6 | ||||
| 92 | H | 34.4 | Very low | 34.5 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -46.3 | 142.4 | 179.6 | -82.3 | -34.8 | 0 | 0 | 0 | 118.8 | ||||
| 93 | T | 35.2 | Very low | 34.1 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | 15.7 | 151.6 | 127.8 | 68.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 94 | P | 38.3 | Very low | 34 | Very low | 130 Ų | 130 | 155.8 Ų | 155.8 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | -131.2 | 153.3 | 107.6 | 37.7 | -31.8 | 0 | 0 | 0 | 115.3 | |||||
| 95 | N | 30.3 | Very low | 33.6 | Very low | 154 Ų | 154 | 155.2 Ų | 155.2 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -83.8 | 147.5 | 169.2 | -100.8 | -34.8 | 0 | 0 | 0 | 111.6 | ||||
| 96 | K | 37.8 | Very low | 33.3 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | 149.2 | 122.9 | 131.1 | -84.3 | 170 | -178 | -178.8 | 0 | 112.6 | ||||
| 97 | Y | 39.1 | Very low | 33.4 | Very low | 243 Ų | 243 | 156.3 Ų | 156.3 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | -146.9 | 140.9 | 120.8 | -96.7 | -74.2 | 0 | 0 | 0 | 108.4 | |||||
| 98 | L | 30.9 | Very low | 33.1 | Very low | 131 Ų | 131 | 158 Ų | 158 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -124.5 | 133.6 | -177.1 | -98.6 | 73.6 | 0 | 0 | 0 | 110 | I100 | L98-I100 HydrophobicContact CD2-CD1 4.26Š| ||
| 99 | T | 36.8 | Very low | 33.3 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -170.2 | 116 | 145 | 20.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 100 | I | 29.9 | Very low | 33 | Very low | 127 Ų | 127 | 157.1 Ų | 157.1 | 65% | 0.651 | 78% | 0.784 | S | S | * | * | cis | 63.1 | 94.1 | 47.9 | -50.8 | 179.2 | 0 | 0 | 0 | 112.3 | L98 | L98-I100 HydrophobicContact CD2-CD1 4.26Š| ||
| 101 | N | 32.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | -162.6 | 151.4 | 104.6 | -119.9 | -5.9 | 0 | 0 | 0 | 112.5 | |||||
| 102 | P | 35.7 | Very low | 32.7 | Very low | 95 Ų | 95 | 148.6 Ų | 148.6 | 62% | 0.617 | 78% | 0.778 | S | S | * | * | trans | -107.3 | 170.1 | 172.5 | 39.1 | -30.3 | 0 | 0 | 0 | 112.8 | ||||
| 103 | Y | 27.1 | Very low | 32.6 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 160 | 163 | 135.9 | -106.4 | -90.8 | 0 | 0 | 0 | 111.8 | ||||
| 104 | Y | 33.7 | Very low | 32.4 | Very low | 207 Ų | 207 | 144.5 Ų | 144.5 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | 71.8 | 114.8 | 177.2 | -63.1 | -71.3 | 0 | 0 | 0 | 113.9 | ||||
| 105 | N | 27.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | 54.2 | 130.8 | 31.8 | -66 | 2.2 | 0 | 0 | 0 | 112.6 | ||||
| 106 | M | 28.9 | Very low | 32.2 | Very low | 156 Ų | 156 | 147 Ų | 147 | 77% | 0.768 | 78% | 0.779 | S | S | * | * | cis | -158 | 178.8 | 24.5 | -132.9 | 146.9 | 174.6 | 0 | 0 | 111.2 | ||||
| 107 | E | 35.5 | Very low | 31.9 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | 76 | 93.2 | 156.8 | -71 | 153.7 | -138 | 0 | 0 | 120.2 | ||||
| 108 | D | 28.9 | Very low | 31.6 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | 33 | 113.3 | 107.5 | -57.5 | -53.2 | 0 | 0 | 0 | 120.3 | |||||
| 109 | S | 35.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | 176 | 125.2 | 113.7 | -81.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 110 | N | 29.2 | Very low | 31.5 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | 26.8 | 132 | 128.7 | -58.3 | -37 | 0 | 0 | 0 | 119.2 | |||||
| 111 | A | 31.2 | Very low | 31.8 | Very low | 91 Ų | 91 | 147.2 Ų | 147.2 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | cis | -171.5 | 166.5 | 12.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 112 | S | 29 | Very low | 31.8 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 68.9 | 137.8 | 158 | -142.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 113 | S | 31.9 | Very low | 31.7 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | cis | -144.8 | 133.4 | 8.4 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 114 | S | 30.9 | Very low | 32.1 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 31.3 | 106.5 | 148.4 | 60 | 0 | 0 | 0 | 0 | 121 | ||||
| 115 | E | 31 | Very low | 32.3 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | -114.4 | 128.7 | 142.7 | -75.1 | -168.2 | 138.3 | 0 | 0 | 109.6 | ||||
| 116 | T | 33.9 | Very low | 32.5 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | -88.2 | 106.8 | 176.3 | 37.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 117 | K | 31.6 | Very low | 32.7 | Very low | 189 Ų | 189 | 145 Ų | 145 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 129 | 169.1 | -71.8 | 177.7 | 177 | 173.6 | 0 | 111.2 | ||
| 118 | I | 31.4 | Very low | 32.5 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 120.8 | 159.1 | -64.9 | 173.8 | 0 | 0 | 0 | 107.5 | ||
| 119 | Q | 35.6 | Very low | 33 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 145.2 | 172.5 | -77.4 | -174 | -23.5 | 0 | 0 | 111.2 | L121 | Q119-L121 HydrophobicContact CB-CD1 4.36Š|
| 120 | I | 31.3 | Very low | 32.9 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 121.4 | 171.9 | -60.2 | 167.9 | 0 | 0 | 0 | 108.4 | ||
| 121 | L | 35.8 | Very low | 33.1 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -128.4 | 147.2 | 157.8 | -81.6 | 97.1 | 0 | 0 | 0 | 110.4 | Q119 | Q119-L121 HydrophobicContact CB-CD1 4.36Š| ||
| 122 | K | 33.7 | Very low | 33.2 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -95.6 | 174 | 166.2 | -70 | -179.5 | 174.4 | -179.1 | 0 | 109.1 | ||||
| 123 | S | 33.4 | Very low | 33.3 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 81 | 145.8 | 162.9 | -43.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 124 | I | 35.7 | Very low | 33.2 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | cis | -161.4 | 158.7 | -10.5 | -124.4 | 167.8 | 0 | 0 | 0 | 110 | ||||
| 125 | D | 35.9 | Very low | 33.2 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | 59.2 | 156.9 | 162.1 | -63.7 | -9.2 | 0 | 0 | 0 | 123.2 | ||||
| 126 | N | 32.5 | Very low | 33 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -82.4 | 151.8 | 177.7 | -49.6 | -56.5 | 0 | 0 | 0 | 111.8 | ||||
| 127 | D | 33.2 | Very low | 32.9 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | 161.9 | 137.9 | 107.8 | -90.2 | -28.3 | 0 | 0 | 0 | 110.1 | |||||
| 128 | G | 32.3 | Very low | 32.9 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 170.4 | 84 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 129 | V | 39.2 | Very low | 32.9 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 93% | 0.933 | 80% | 0.797 | S | S | * | * | trans | -22 | 141.6 | 159.9 | -71.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 130 | G | 31.9 | Very low | 32.6 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -178.6 | 105.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 131 | S | 34.3 | Very low | 32.7 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -52.9 | 143.3 | 168.9 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 132 | G | 31.9 | Very low | 32.6 | Very low | 52 Ų | 52 | 126.8 Ų | 126.8 | 54% | 0.536 | 80% | 0.8 | S | S | . | * | cis | 118.2 | 124.7 | 9.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 133 | F | 31.9 | Very low | 32.5 | Very low | 224 Ų | 224 | 127 Ų | 127 | 98% | 0.982 | 80% | 0.804 | S | S | * | * | trans | -147.4 | 140.8 | 168.4 | -93.4 | -71.9 | 0 | 0 | 0 | 110.5 | ||||
| 134 | T | 29.1 | Very low | 32.6 | Very low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | trans | -119.4 | 138.5 | -175.1 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 135 | S | 31.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -168.6 | 162 | 135.6 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 136 | C | 26.5 | Very low | 32.3 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -36.3 | 160.3 | 169.1 | 57.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 137 | T | 32.4 | Very low | 32.2 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | cis | -141.1 | 126.3 | 27 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 138 | S | 30.8 | Very low | 32.2 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | 47.2 | 88.4 | 86.1 | 72.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 139 | G | 32.8 | Very low | 32.2 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -150.2 | 117.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 140 | N | 29.5 | Very low | 31.8 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -137.6 | 162.9 | -162.1 | -165.5 | 12 | 0 | 0 | 0 | 111.6 | ||||
| 141 | I | 31.8 | Very low | 32.1 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | 75.4 | 120.8 | 170.1 | -56 | 155.8 | 0 | 0 | 0 | 115.3 | ||||
| 142 | G | 34 | Very low | 32 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -169.9 | 22.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 143 | Q | 32.5 | Very low | 31.9 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -78.3 | 126.1 | 179.4 | -80.7 | -174.6 | -20.9 | 0 | 0 | 111.3 | ||||
| 144 | I | 35 | Very low | 32.1 | Very low | 169 Ų | 169 | 130 Ų | 130 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -124.9 | 107 | 159.2 | -65.3 | 179.1 | 0 | 0 | 0 | 106.9 | ||||
| 145 | G | 32.3 | Very low | 32.4 | Very low | 59 Ų | 59 | 129.3 Ų | 129.3 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | trans | -85.1 | -158.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 146 | V | 34 | Very low | 32.5 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | cis | -147.4 | 150.4 | 4 | -172.7 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 147 | I | 29.6 | Very low | 32.9 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | -175.9 | 130.8 | 84.5 | -75.2 | 151.7 | 0 | 0 | 0 | 107.7 | |||||
| 148 | S | 33.4 | Very low | 33 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -155.1 | 104.8 | 142.6 | -92.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 149 | T | 32.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | -70.9 | 126.1 | -179.3 | 43.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 150 | N | 30.8 | Very low | 33.4 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -116.6 | 97.7 | 158.4 | -165.6 | -4.3 | 0 | 0 | 0 | 108 | ||||
| 151 | I | 37.7 | Very low | 33.6 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -87.8 | 111.6 | 176.7 | -62.9 | 171 | 0 | 0 | 0 | 106.6 | ||||
| 152 | N | 32.1 | Very low | 33.8 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -149.8 | 91.4 | 169.1 | -135.3 | 1 | 0 | 0 | 0 | 110.1 | ||||
| 153 | N | 30.9 | Very low | 34 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -167.3 | 145.1 | 157.6 | -102 | -13.7 | 0 | 0 | 0 | 108.3 | ||||
| 154 | N | 35.1 | Very low | 34.1 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | 94.2 | 136.9 | -170 | -63.7 | 19.4 | 0 | 0 | 0 | 114.6 | ||||
| 155 | D | 34.9 | Very low | 34.3 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | cis | 178.9 | 140.3 | -28.7 | -116 | 9.2 | 0 | 0 | 0 | 106.2 | ||||
| 156 | N | 34.8 | Very low | 34.4 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 55.7 | 119.3 | 161.1 | -51.1 | -49.2 | 0 | 0 | 0 | 116.7 | ||||
| 157 | N | 33.8 | Very low | 34.5 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | -179.1 | 154.7 | 53.9 | -108.2 | -37.6 | 0 | 0 | 0 | 111.4 | |||||
| 158 | N | 35.7 | Very low | 34.7 | Very low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | trans | 24.2 | 152 | 137.7 | -65.3 | -34.8 | 0 | 0 | 0 | 122.7 | ||||
| 159 | N | 33.4 | Very low | 34.7 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | cis | 174.3 | 169.2 | -27.7 | -114.5 | -40.7 | 0 | 0 | 0 | 107.5 | ||||
| 160 | N | 38.2 | Very low | 34.7 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | 70.4 | 126.2 | 176.5 | -46.3 | -26.9 | 0 | 0 | 0 | 114.6 | ||||
| 161 | A | 33.9 | Very low | 34.9 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | cis | 81.6 | 141.8 | 11.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 162 | I | 35.5 | Very low | 34.6 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | 103.7 | 112 | 162.8 | -57.1 | 171.3 | 0 | 0 | 0 | 118.6 | ||||
| 163 | A | 38.9 | Very low | 34.7 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | 67.6 | 136 | 146.8 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 164 | N | 34.8 | Very low | 35 | Very low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -68.5 | 159.4 | 159.1 | -61.6 | -26.3 | 0 | 0 | 0 | 110.8 | ||||
| 165 | P | 38.3 | Very low | 35 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | -138 | 165.9 | 94.8 | 38.7 | -28.1 | 0 | 0 | 0 | 115.9 | |||||
| 166 | V | 34.2 | Very low | 35.2 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | -66.4 | 133.1 | 177 | 179.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 167 | T | 36.9 | Very low | 35.2 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | -180 | 123.7 | 120.3 | 34.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 168 | N | 33.8 | Very low | 35.7 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 28.5 | 122.8 | 136.9 | -61.2 | 2.3 | 0 | 0 | 0 | 122.3 | ||||
| 169 | N | 33.4 | Very low | 36 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | 81.3 | 126.9 | 128 | -64.3 | 0.6 | 0 | 0 | 0 | 122.1 | |||||
| 170 | T | 32.6 | Very low | 36.9 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | 92.7 | 119.5 | 150 | -23.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 171 | S | 33.8 | Very low | 37.5 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -10.2 | 144.6 | 152.2 | -38.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 172 | N | 32.5 | Very low | 38.2 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | cis | -168.2 | 165.6 | 47.9 | -148.9 | 2 | 0 | 0 | 0 | 113.8 | ||||
| 173 | S | 34.4 | Very low | 38.9 | Very low | 83 Ų | 83 | 129.3 Ų | 129.3 | 58% | 0.58 | 73% | 0.73 | S | S | * | * | trans | 65.9 | 109.7 | 147.3 | 174.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 174 | N | 36.4 | Very low | 39.6 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | trans | 70.8 | 92.8 | 133.8 | -60.5 | 2.9 | 0 | 0 | 0 | 120.2 | ||||
| 175 | N | 34.8 | Very low | 40.7 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | 157.3 | 147.6 | 85.3 | -87.2 | -14.2 | 0 | 0 | 0 | 113.6 | |||||
| 176 | N | 39.8 | Very low | 42.3 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | trans | 60.8 | 57.7 | 156.2 | -55.4 | -4.7 | 0 | 0 | 0 | 118.2 | ||||
| 177 | N | 35.3 | Very low | 43.9 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 86% | 0.856 | 70% | 0.695 | S | S | * | * | trans | -97.6 | 128.4 | 147.6 | -118 | 13.1 | 0 | 0 | 0 | 108.4 | ||||
| 178 | F | 42.7 | Very low | 45.7 | Very low | 172 Ų | 172 | 132 Ų | 132 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | trans | -87.7 | 116.9 | 172.6 | -106.4 | -100.4 | 0 | 0 | 0 | 108.8 | I180 | F178-I180 PolarHBondContact O-N 2.81Š| ||
| 179 | D | 42.7 | Very low | 47.9 | Very low | 120 Ų | 120 | 131 Ų | 131 | 64% | 0.642 | 68% | 0.681 | S | S | * | * | trans | -72.2 | 92.8 | 171.6 | -79 | -30.7 | 0 | 0 | 0 | 110.2 | D181 C182 | D179-D181 PolarHBondContact O-N 3.12Å; D179-C182 HydrophobicContact CB-CB 4.28Å; D179-C182 VanDerWaalsContact O-CB 3.23Å; D179-C182 WeakPolarHBondContact O-CB 3.28Å; D179-C182 PolarHBondContact O-N 3.44Å; D179-C182 VanDerWaalsContact O-N 3.07Å | ||
| 180 | I | 51.9 | Low | 50.1 | Low | 122 Ų | 122 | 126.7 Ų | 126.7 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -32.7 | 176.4 | -64.3 | 175.5 | 0 | 0 | 0 | 111 | F178 C182 F183 H184 | F178-I180 PolarHBondContact O-N 2.81Å; I180-C182 PolarHBondContact O-N 3.46Å; I180-F183 PolarHBondContact O-N 2.83Å; I180-F183 VanDerWaalsContact O-N 3.14Å; I180-H184 PolarHBondContact O-N 2.86Å |
| 181 | D | 50.8 | Low | 52.3 | Low | 130 Ų | 130 | 127.2 Ų | 127.2 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -61.4 | -25.7 | 177 | -67.4 | -34.9 | 0 | 0 | 0 | 113.5 | D179 F183 H184 | D179-D181 PolarHBondContact O-N 3.12Å; D181-F183 VanDerWaalsContact C-N 3.26Å; D181-F183 PolarHBondContact O-N 3.18Å; D181-H184 PolarHBondContact O-N 2.96Å |
| 182 | C | 48.7 | Very low | 54.8 | Low | 90 Ų | 90 | 125 Ų | 125 | 61% | 0.608 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.8 | -30.2 | 177.4 | -165.9 | 0 | 0 | 0 | 0 | 112.4 | D179 I180 P186 | D179-C182 HydrophobicContact CB-CB 4.28Å; D179-C182 VanDerWaalsContact O-CB 3.23Å; D179-C182 WeakPolarHBondContact O-CB 3.28Å; D179-C182 PolarHBondContact O-N 3.44Å; D179-C182 VanDerWaalsContact O-N 3.07Å; I180-C182 PolarHBondContact O-N 3.46Å; C182-P186 WeakPolarHBondContact O-CD 3.44Å |
| 183 | F | 50.7 | Low | 57.6 | Low | 140 Ų | 140 | 121.3 Ų | 121.3 | 61% | 0.614 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -92.7 | -19.9 | 179.7 | -69 | -82.6 | 0 | 0 | 0 | 113.8 | I180 D181 | I180-F183 PolarHBondContact O-N 2.83Å; I180-F183 VanDerWaalsContact O-N 3.14Å; D181-F183 VanDerWaalsContact C-N 3.26Å; D181-F183 PolarHBondContact O-N 3.18Å |
| 184 | H | 54.4 | Low | 60.2 | Low | 124 Ų | 124 | 123 Ų | 123 | 57% | 0.574 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -76.6 | -32 | 179.5 | -104.5 | -59.5 | 0 | 0 | 0 | 113.7 | I180 D181 R188 | I180-H184 PolarHBondContact O-N 2.86Å; D181-H184 PolarHBondContact O-N 2.96Å; H184-R188 WeakPolarHBondContact O-CB 3.34Å; H184-R188 PolarHBondContact O-N 3.13Å; H184-R188 VanDerWaalsContact O-N 3.12Å |
| 185 | Y | 56.1 | Low | 62.9 | Low | 185 Ų | 185 | 121.2 Ų | 121.2 | 73% | 0.725 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.8 | -48.1 | -178.3 | -143.4 | -79.4 | 0 | 0 | 0 | 113.2 | L187 R188 E189 | Y185-L187 PolarHBondContact O-N 3.31Å; Y185-R188 PolarHBondContact O-N 3.09Å; Y185-E189 PolarHBondContact O-N 3.01Å; Y185-E189 VanDerWaalsContact O-N 3.08Å |
| 186 | P | 71.7 | Confident | 65.6 | Low | 84 Ų | 84 | 118.2 Ų | 118.2 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.9 | -37.9 | 178.7 | -23.8 | 35.6 | 0 | 0 | 0 | 113.8 | C182 E189 A190 | C182-P186 WeakPolarHBondContact O-CD 3.44Å; P186-E189 PolarHBondContact O-N 3.41Å; P186-A190 PolarHBondContact O-N 2.98Å |
| 187 | L | 68.3 | Low | 68.1 | Low | 113 Ų | 113 | 114.5 Ų | 114.5 | 59% | 0.592 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.9 | -39.7 | 177.4 | -76.6 | 169.3 | 0 | 0 | 0 | 112.1 | Y185 E189 A190 M191 | Y185-L187 PolarHBondContact O-N 3.31Å; L187-E189 VanDerWaalsContact C-N 3.32Å; L187-A190 PolarHBondContact O-N 2.85Å; L187-M191 PolarHBondContact O-N 2.9Å; L187-M191 VanDerWaalsContact O-N 3.11Å |
| 188 | R | 75.2 | Confident | 70.9 | Confident | 177 Ų | 177 | 111.5 Ų | 111.5 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.4 | -38.9 | 176.7 | -161.9 | 173.6 | -157.6 | -90.9 | -2.3 | 111.5 | H184 Y185 M191 N192 | H184-R188 WeakPolarHBondContact O-CB 3.34Å; H184-R188 PolarHBondContact O-N 3.13Å; H184-R188 VanDerWaalsContact O-N 3.12Å; Y185-R188 PolarHBondContact O-N 3.09Å; R188-M191 PolarHBondContact O-N 3.31Å; R188-N192 PolarHBondContact O-N 2.86Å; R188-N192 PolarHBondContact O-ND2 3.41Å |
| 189 | E | 79.7 | Confident | 73.5 | Confident | 109 Ų | 109 | 107.2 Ų | 107.2 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.3 | -35.3 | 178.5 | -160.3 | 65.5 | 173.9 | 0 | 0 | 112.7 | Y185 P186 L187 N192 Q193 | Y185-E189 PolarHBondContact O-N 3.01Å; Y185-E189 VanDerWaalsContact O-N 3.08Å; P186-E189 PolarHBondContact O-N 3.41Å; L187-E189 VanDerWaalsContact C-N 3.32Å; E189-N192 WeakPolarHBondContact O-CB 3.46Å; E189-N192 PolarHBondContact O-N 2.98Å; E189-N192 PolarHBondContact OE2-ND2 3.25Å; E189-Q193 WeakPolarHBondContact O-CB 3.48Å; E189-Q193 PolarHBondContact O-N 2.87Å |
| 190 | A | 78.7 | Confident | 75.9 | Confident | 50 Ų | 50 | 107.9 Ų | 107.9 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P186 L187 N192 Q193 D194 | P186-A190 PolarHBondContact O-N 2.98Å; L187-A190 PolarHBondContact O-N 2.85Å; A190-N192 VanDerWaalsContact C-N 3.34Å; A190-N192 PolarHBondContact O-N 2.84Å; A190-Q193 PolarHBondContact O-N 3.36Å; A190-Q193 VanDerWaalsContact O-N 3.14Å; A190-D194 PolarHBondContact O-N 3.04Å |
| 191 | M | 79.8 | Confident | 77.9 | Confident | 141 Ų | 141 | 104.6 Ų | 104.6 | 70% | 0.695 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -36.5 | 175.9 | -71.4 | -176.8 | 68.4 | 0 | 0 | 113.3 | L187 R188 Q193 L195 | L187-M191 PolarHBondContact O-N 2.9Å; L187-M191 VanDerWaalsContact O-N 3.11Å; R188-M191 PolarHBondContact O-N 3.31Å; M191-Q193 VanDerWaalsContact C-N 3.34Å; M191-L195 WeakPolarHBondContact O-CB 3.3Å; M191-L195 PolarHBondContact O-N 3.32Å; M191-L195 VanDerWaalsContact O-N 3.14Å |
| 192 | N | 87.1 | Confident | 80 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 31% | 0.305 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 172.5 | -70.1 | -24.9 | 0 | 0 | 0 | 110.8 | R188 E189 A190 L195 I196 | R188-N192 PolarHBondContact O-N 2.86Å; R188-N192 PolarHBondContact O-ND2 3.41Å; E189-N192 WeakPolarHBondContact O-CB 3.46Å; E189-N192 PolarHBondContact O-N 2.98Å; E189-N192 PolarHBondContact OE2-ND2 3.25Å; A190-N192 VanDerWaalsContact C-N 3.34Å; A190-N192 PolarHBondContact O-N 2.84Å; N192-L195 PolarHBondContact O-N 2.87Å; N192-I196 WeakPolarHBondContact O-CB 3.4Å; N192-I196 WeakPolarHBondContact O-CD1 3.45Å; N192-I196 VanDerWaalsContact O-CG1 3.23Å; N192-I196 WeakPolarHBondContact O-CG1 3.39Å; N192-I196 PolarHBondContact O-N 2.95Å |
| 193 | Q | 90.2 | Very high | 82.2 | Confident | 76 Ų | 76 | 103.5 Ų | 103.5 | 36% | 0.355 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | -178.9 | -173 | 53 | 44.1 | 0 | 0 | 112.2 | E189 A190 M191 L195 I196 D197 | E189-Q193 WeakPolarHBondContact O-CB 3.48Å; E189-Q193 PolarHBondContact O-N 2.87Å; A190-Q193 PolarHBondContact O-N 3.36Å; A190-Q193 VanDerWaalsContact O-N 3.14Å; M191-Q193 VanDerWaalsContact C-N 3.34Å; Q193-L195 VanDerWaalsContact C-N 3.32Å; Q193-L195 PolarHBondContact O-N 2.88Å; Q193-I196 WeakPolarHBondContact O-CB 3.2Å; Q193-I196 PolarHBondContact O-N 3.32Å; Q193-D197 PolarHBondContact NE2-OD1 3.41Å; Q193-D197 PolarHBondContact NE2-OD2 3.18Å; Q193-D197 PolarHBondContact O-N 2.88Å |
| 194 | D | 89.1 | Confident | 84.2 | Confident | 118 Ų | 118 | 100.4 Ų | 100.4 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.6 | -42.2 | 172.7 | -76.5 | -23.3 | 0 | 0 | 0 | 111.7 | A190 D197 L198 | A190-D194 PolarHBondContact O-N 3.04Å; D194-D197 PolarHBondContact O-N 3.21Å; D194-L198 WeakPolarHBondContact O-CB 3.3Å; D194-L198 PolarHBondContact O-N 3.46Å |
| 195 | L | 92.4 | Very high | 86.1 | Confident | 96 Ų | 96 | 100.8 Ų | 100.8 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 175.5 | 178 | 60.5 | 0 | 0 | 0 | 111.8 | M191 N192 Q193 L198 L199 | M191-L195 WeakPolarHBondContact O-CB 3.3Å; M191-L195 PolarHBondContact O-N 3.32Å; M191-L195 VanDerWaalsContact O-N 3.14Å; N192-L195 PolarHBondContact O-N 2.87Å; Q193-L195 VanDerWaalsContact C-N 3.32Å; Q193-L195 PolarHBondContact O-N 2.88Å; L195-L198 PolarHBondContact O-N 3.45Å; L195-L199 HydrophobicContact CD1-CD1 4.22Å; L195-L199 HydrophobicContact CD1-CG 4.32Å; L195-L199 HydrophobicContact CG-CD1 4.13Å; L195-L199 WeakPolarHBondContact O-CB 3.31Å; L195-L199 VanDerWaalsContact O-CG 3.26Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 3.46Å |
| 196 | I | 92.9 | Very high | 87.9 | Confident | 70 Ų | 70 | 97.3 Ų | 97.3 | 36% | 0.359 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 175.7 | -75.8 | 163.6 | 0 | 0 | 0 | 110.8 | N192 Q193 L199 R200 | N192-I196 WeakPolarHBondContact O-CB 3.4Å; N192-I196 WeakPolarHBondContact O-CD1 3.45Å; N192-I196 VanDerWaalsContact O-CG1 3.23Å; N192-I196 WeakPolarHBondContact O-CG1 3.39Å; N192-I196 PolarHBondContact O-N 2.95Å; Q193-I196 WeakPolarHBondContact O-CB 3.2Å; Q193-I196 PolarHBondContact O-N 3.32Å; I196-L199 PolarHBondContact O-N 2.86Å; I196-R200 WeakPolarHBondContact O-CB 3.48Å; I196-R200 WeakPolarHBondContact O-CD 3.25Å; I196-R200 VanDerWaalsContact O-CG 3.23Å; I196-R200 WeakPolarHBondContact O-CG 3.39Å; I196-R200 PolarHBondContact O-N 3.44Å |
| 197 | D | 92.6 | Very high | 89 | Confident | 71 Ų | 71 | 98.4 Ų | 98.4 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.6 | -30.9 | -179.9 | -72.3 | -29.5 | 0 | 0 | 0 | 113 | Q193 D194 R200 S201 | Q193-D197 PolarHBondContact NE2-OD1 3.41Å; Q193-D197 PolarHBondContact NE2-OD2 3.18Å; Q193-D197 PolarHBondContact O-N 2.88Å; D194-D197 PolarHBondContact O-N 3.21Å; D197-R200 WeakPolarHBondContact OD1-CD 3.27Å; D197-R200 IonicContact OD1-CZ 2.74Å; D197-R200 IonicContact OD1-NE 3.22Å; D197-R200 IonicContact OD1-NH1 3.93Å; D197-R200 PolarHBondContact OD1-NH1 3.49Å; D197-S201 WeakPolarHBondContact O-CB 3.41Å; D197-S201 PolarHBondContact O-N 2.96Å |
| 198 | L | 94 | Very high | 90.2 | Very high | 96 Ų | 96 | 97.8 Ų | 97.8 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 166.7 | 177.8 | 60.7 | 0 | 0 | 0 | 111.6 | D194 L195 S201 Q202 | D194-L198 WeakPolarHBondContact O-CB 3.3Å; D194-L198 PolarHBondContact O-N 3.46Å; L195-L198 PolarHBondContact O-N 3.45Å; L198-S201 WeakPolarHBondContact O-CB 3.44Å; L198-S201 PolarHBondContact O-N 3.25Å; L198-Q202 WeakPolarHBondContact O-CG 3.36Å; L198-Q202 PolarHBondContact O-N 3.46Å |
| 199 | L | 95.9 | Very high | 91.2 | Very high | 82 Ų | 82 | 94.8 Ų | 94.8 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 177 | -73.2 | 169.2 | 0 | 0 | 0 | 111.6 | L195 I196 S201 Q202 I203 | L195-L199 HydrophobicContact CD1-CD1 4.22Å; L195-L199 HydrophobicContact CD1-CG 4.32Å; L195-L199 HydrophobicContact CG-CD1 4.13Å; L195-L199 WeakPolarHBondContact O-CB 3.31Å; L195-L199 VanDerWaalsContact O-CG 3.26Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 3.46Å; I196-L199 PolarHBondContact O-N 2.86Å; L199-S201 PolarHBondContact O-N 2.88Å; L199-Q202 PolarHBondContact O-N 3.37Å; L199-I203 WeakPolarHBondContact O-CB 3.45Å; L199-I203 VanDerWaalsContact O-CG1 3.26Å; L199-I203 WeakPolarHBondContact O-CG1 3.39Å; L199-I203 PolarHBondContact O-N 3.32Å |
| 200 | R | 93.8 | Very high | 91.9 | Very high | 135 Ų | 135 | 94 Ų | 94 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.7 | -46 | 171.3 | -74.2 | 161.3 | 173.1 | 174.2 | 0.8 | 111.2 | I196 D197 Q202 I203 S204 | I196-R200 WeakPolarHBondContact O-CB 3.48Å; I196-R200 WeakPolarHBondContact O-CD 3.25Å; I196-R200 VanDerWaalsContact O-CG 3.23Å; I196-R200 WeakPolarHBondContact O-CG 3.39Å; I196-R200 PolarHBondContact O-N 3.44Å; D197-R200 WeakPolarHBondContact OD1-CD 3.27Å; D197-R200 IonicContact OD1-CZ 2.74Å; D197-R200 IonicContact OD1-NE 3.22Å; D197-R200 IonicContact OD1-NH1 3.93Å; D197-R200 PolarHBondContact OD1-NH1 3.49Å; R200-Q202 VanDerWaalsContact C-N 3.34Å; R200-Q202 PolarHBondContact O-N 2.96Å; R200-I203 PolarHBondContact O-N 2.95Å; R200-S204 PolarHBondContact O-N 3.5Å; R200-S204 PolarHBondContact O-OG 2.96Å |
| 201 | S | 94.1 | Very high | 92.6 | Very high | 53 Ų | 53 | 98 Ų | 98 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 112.7 | D197 L198 L199 K205 | D197-S201 WeakPolarHBondContact O-CB 3.41Å; D197-S201 PolarHBondContact O-N 2.96Å; L198-S201 WeakPolarHBondContact O-CB 3.44Å; L198-S201 PolarHBondContact O-N 3.25Å; L199-S201 PolarHBondContact O-N 2.88Å; S201-K205 WeakPolarHBondContact O-CG 3.28Å; S201-K205 PolarHBondContact O-N 3.31Å; S201-K205 VanDerWaalsContact O-N 3.16Å |
| 202 | Q | 94.6 | Very high | 93.3 | Very high | 100 Ų | 100 | 96.7 Ų | 96.7 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 174.5 | -71 | 178.6 | 2.2 | 0 | 0 | 111.8 | L198 L199 R200 K205 L206 | L198-Q202 WeakPolarHBondContact O-CG 3.36Å; L198-Q202 PolarHBondContact O-N 3.46Å; L199-Q202 PolarHBondContact O-N 3.37Å; R200-Q202 VanDerWaalsContact C-N 3.34Å; R200-Q202 PolarHBondContact O-N 2.96Å; Q202-K205 PolarHBondContact O-N 2.95Å; Q202-L206 WeakPolarHBondContact O-CG 3.42Å; Q202-L206 PolarHBondContact O-N 2.86Å |
| 203 | I | 94.7 | Very high | 93.7 | Very high | 97 Ų | 97 | 97.8 Ų | 97.8 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 175.8 | -69.4 | 163.5 | 0 | 0 | 0 | 110.9 | L199 R200 K205 L206 L207 | L199-I203 WeakPolarHBondContact O-CB 3.45Å; L199-I203 VanDerWaalsContact O-CG1 3.26Å; L199-I203 WeakPolarHBondContact O-CG1 3.39Å; L199-I203 PolarHBondContact O-N 3.32Å; R200-I203 PolarHBondContact O-N 2.95Å; I203-K205 VanDerWaalsContact C-N 3.35Å; I203-K205 PolarHBondContact O-N 3.01Å; I203-L206 PolarHBondContact O-N 2.99Å; I203-L207 HydrophobicContact CG2-CD1 3.96Å; I203-L207 HydrophobicContact CG2-CG 4.42Å; I203-L207 WeakPolarHBondContact O-CG 3.01Å; I203-L207 PolarHBondContact O-N 2.86Å |
| 204 | S | 93.9 | Very high | 93.9 | Very high | 74 Ų | 74 | 97.7 Ų | 97.7 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 176.4 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | R200 L207 E208 | R200-S204 PolarHBondContact O-N 3.5Å; R200-S204 PolarHBondContact O-OG 2.96Å; S204-L207 PolarHBondContact O-N 2.82Å; S204-E208 PolarHBondContact O-N 3.38Å |
| 205 | K | 93.6 | Very high | 94.1 | Very high | 133 Ų | 133 | 95.4 Ų | 95.4 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 176.7 | -73 | 169.3 | -179.3 | 171.5 | 0 | 112.4 | S201 Q202 I203 L207 E208 E209 | S201-K205 WeakPolarHBondContact O-CG 3.28Å; S201-K205 PolarHBondContact O-N 3.31Å; S201-K205 VanDerWaalsContact O-N 3.16Å; Q202-K205 PolarHBondContact O-N 2.95Å; I203-K205 VanDerWaalsContact C-N 3.35Å; I203-K205 PolarHBondContact O-N 3.01Å; K205-L207 VanDerWaalsContact C-N 3.33Å; K205-L207 PolarHBondContact O-N 2.94Å; K205-E208 PolarHBondContact O-N 3.07Å; K205-E209 PolarHBondContact O-N 3.44Å |
| 206 | L | 93.8 | Very high | 94.2 | Very high | 112 Ų | 112 | 97.5 Ų | 97.5 | 59% | 0.586 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.1 | -34.2 | 176.2 | -71.3 | 168.7 | 0 | 0 | 0 | 112.2 | Q202 I203 N210 | Q202-L206 WeakPolarHBondContact O-CG 3.42Å; Q202-L206 PolarHBondContact O-N 2.86Å; I203-L206 PolarHBondContact O-N 2.99Å; L206-N210 VanDerWaalsContact O-CB 3.29Å; L206-N210 WeakPolarHBondContact O-CB 3.29Å; L206-N210 PolarHBondContact O-N 2.93Å |
| 207 | L | 94.9 | Very high | 94.2 | Very high | 106 Ų | 106 | 98.3 Ų | 98.3 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.7 | -43.1 | 173.5 | -70.4 | 170.3 | 0 | 0 | 0 | 111.9 | I203 S204 K205 E209 N210 E211 | I203-L207 HydrophobicContact CG2-CD1 3.96Å; I203-L207 HydrophobicContact CG2-CG 4.42Å; I203-L207 WeakPolarHBondContact O-CG 3.01Å; I203-L207 PolarHBondContact O-N 2.86Å; S204-L207 PolarHBondContact O-N 2.82Å; K205-L207 VanDerWaalsContact C-N 3.33Å; K205-L207 PolarHBondContact O-N 2.94Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 3.27Å; L207-N210 PolarHBondContact O-N 3.02Å; L207-E211 PolarHBondContact O-N 3.4Å |
| 208 | E | 93.8 | Very high | 94.3 | Very high | 101 Ų | 101 | 98.5 Ų | 98.5 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 175.8 | -162.9 | -160.2 | 151 | 0 | 0 | 112.3 | S204 K205 K212 | S204-E208 PolarHBondContact O-N 3.38Å; K205-E208 PolarHBondContact O-N 3.07Å; E208-K212 VanDerWaalsContact CD-NZ 3.32Å; E208-K212 WeakPolarHBondContact O-CD 3.34Å; E208-K212 VanDerWaalsContact O-CG 3.29Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 3.43Å; E208-K212 WeakPolarHBondContact OE1-CE 3.38Å; E208-K212 IonicContact OE1-NZ 2.73Å; E208-K212 PolarHBondContact OE1-NZ 3.45Å |
| 209 | E | 94.6 | Very high | 94.3 | Very high | 114 Ų | 114 | 98 Ų | 98 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.4 | -42.2 | 172.8 | -175.8 | 167.4 | -157.1 | 0 | 0 | 112 | K205 L207 E211 K212 L213 | K205-E209 PolarHBondContact O-N 3.44Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 3.27Å; E209-E211 PolarHBondContact O-N 2.8Å; E209-K212 PolarHBondContact O-N 3.31Å; E209-L213 HydrophobicContact CG-CD1 4.27Å; E209-L213 WeakPolarHBondContact O-CG 3.44Å; E209-L213 PolarHBondContact O-N 2.9Å |
| 210 | N | 94.6 | Very high | 94.2 | Very high | 91 Ų | 91 | 100.6 Ų | 100.6 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 177.7 | -166.2 | 8.6 | 0 | 0 | 0 | 111.9 | L206 L207 K212 L213 V214 | L206-N210 VanDerWaalsContact O-CB 3.29Å; L206-N210 WeakPolarHBondContact O-CB 3.29Å; L206-N210 PolarHBondContact O-N 2.93Å; L207-N210 PolarHBondContact O-N 3.02Å; N210-K212 PolarHBondContact O-N 2.92Å; N210-L213 PolarHBondContact O-N 2.88Å; N210-L213 VanDerWaalsContact O-N 3.14Å; N210-V214 WeakPolarHBondContact O-CG2 3.5Å; N210-V214 PolarHBondContact O-N 2.66Å |
| 211 | E | 94.8 | Very high | 94.2 | Very high | 135 Ų | 135 | 101.7 Ų | 101.7 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.1 | -47.1 | 174.1 | -174 | 174.9 | -167.8 | 0 | 0 | 111.7 | L207 E209 L213 V214 S215 | L207-E211 PolarHBondContact O-N 3.4Å; E209-E211 PolarHBondContact O-N 2.8Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.94Å; E211-V214 PolarHBondContact O-N 3.36Å; E211-S215 PolarHBondContact O-N 2.89Å; E211-S215 PolarHBondContact O-OG 2.87Å |
| 212 | K | 94.4 | Very high | 94.2 | Very high | 113 Ų | 113 | 106.2 Ų | 106.2 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -33.7 | 176.3 | -67.9 | 164 | -170.3 | 166 | 0 | 113 | E208 E209 N210 R216 | E208-K212 VanDerWaalsContact CD-NZ 3.32Å; E208-K212 WeakPolarHBondContact O-CD 3.34Å; E208-K212 VanDerWaalsContact O-CG 3.29Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 3.43Å; E208-K212 WeakPolarHBondContact OE1-CE 3.38Å; E208-K212 IonicContact OE1-NZ 2.73Å; E208-K212 PolarHBondContact OE1-NZ 3.45Å; E209-K212 PolarHBondContact O-N 3.31Å; N210-K212 PolarHBondContact O-N 2.92Å; K212-R216 WeakPolarHBondContact O-CB 3.47Å; K212-R216 PolarHBondContact O-N 3.5Å |
| 213 | L | 94.1 | Very high | 94.1 | Very high | 81 Ų | 81 | 106.6 Ų | 106.6 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 174.8 | -71.4 | 171.4 | 0 | 0 | 0 | 111.5 | E209 N210 E211 R216 I217 | E209-L213 HydrophobicContact CG-CD1 4.27Å; E209-L213 WeakPolarHBondContact O-CG 3.44Å; E209-L213 PolarHBondContact O-N 2.9Å; N210-L213 PolarHBondContact O-N 2.88Å; N210-L213 VanDerWaalsContact O-N 3.14Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.94Å; L213-R216 PolarHBondContact O-N 3.24Å; L213-I217 VanDerWaalsContact O-CG1 3.31Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.31Å |
| 214 | V | 95 | Very high | 93.9 | Very high | 74 Ų | 74 | 106.5 Ų | 106.5 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -50.7 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111 | N210 E211 R216 I217 D218 | N210-V214 WeakPolarHBondContact O-CG2 3.5Å; N210-V214 PolarHBondContact O-N 2.66Å; E211-V214 PolarHBondContact O-N 3.36Å; V214-R216 VanDerWaalsContact C-N 3.25Å; V214-R216 PolarHBondContact O-N 2.95Å; V214-I217 WeakPolarHBondContact O-CB 3.33Å; V214-I217 PolarHBondContact O-N 3.35Å; V214-D218 PolarHBondContact O-N 3.29Å; V214-D218 VanDerWaalsContact O-N 3.07Å |
| 215 | S | 92.8 | Very high | 93.7 | Very high | 70 Ų | 70 | 105.5 Ų | 105.5 | 49% | 0.49 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.9 | -40.1 | 177.1 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | E211 D218 D219 | E211-S215 PolarHBondContact O-N 2.89Å; E211-S215 PolarHBondContact O-OG 2.87Å; S215-D218 PolarHBondContact O-N 2.9Å; S215-D219 PolarHBondContact O-N 3.47Å |
| 216 | R | 94.9 | Very high | 93.5 | Very high | 139 Ų | 139 | 105.7 Ų | 105.7 | 53% | 0.525 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69 | -31.3 | 177.7 | -175.9 | 175.6 | -68.3 | 154.4 | 0.5 | 113 | K212 L213 V214 D219 Y220 | K212-R216 WeakPolarHBondContact O-CB 3.47Å; K212-R216 PolarHBondContact O-N 3.5Å; L213-R216 PolarHBondContact O-N 3.24Å; V214-R216 VanDerWaalsContact C-N 3.25Å; V214-R216 PolarHBondContact O-N 2.95Å; R216-D219 WeakPolarHBondContact O-CB 3.45Å; R216-Y220 HydrophobicContact CG-CD2 4.05Å; R216-Y220 HydrophobicContact CG-CE2 3.6Å; R216-Y220 WeakPolarHBondContact O-CD2 3.38Å; R216-Y220 PolarHBondContact O-N 3.48Å |
| 217 | I | 94.4 | Very high | 93.1 | Very high | 87 Ų | 87 | 105.2 Ų | 105.2 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 174 | -73.9 | 163.6 | 0 | 0 | 0 | 110.5 | L213 V214 Y220 R221 | L213-I217 VanDerWaalsContact O-CG1 3.31Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.31Å; V214-I217 WeakPolarHBondContact O-CB 3.33Å; V214-I217 PolarHBondContact O-N 3.35Å; I217-Y220 PolarHBondContact O-N 2.88Å; I217-R221 WeakPolarHBondContact O-CG 3.35Å; I217-R221 PolarHBondContact O-N 2.93Å |
| 218 | D | 93 | Very high | 92.6 | Very high | 75 Ų | 75 | 105.6 Ų | 105.6 | 40% | 0.401 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.5 | -36.4 | 178.4 | -68.9 | -33 | 0 | 0 | 0 | 112.6 | V214 S215 Y220 R221 Q222 | V214-D218 PolarHBondContact O-N 3.29Å; V214-D218 VanDerWaalsContact O-N 3.07Å; S215-D218 PolarHBondContact O-N 2.9Å; D218-Y220 VanDerWaalsContact C-N 3.3Å; D218-Y220 PolarHBondContact O-N 2.84Å; D218-R221 PolarHBondContact O-N 3.42Å; D218-R221 VanDerWaalsContact OD1-CD 3.23Å; D218-R221 WeakPolarHBondContact OD1-CD 3.35Å; D218-R221 IonicContact OD1-CZ 2.81Å; D218-R221 IonicContact OD1-NE 2.69Å; D218-R221 IonicContact OD1-NH1 3.11Å; D218-R221 PolarHBondContact OD1-NH1 3.48Å; D218-Q222 PolarHBondContact O-N 3.45Å |
| 219 | D | 94.1 | Very high | 92.1 | Very high | 87 Ų | 87 | 107.7 Ų | 107.7 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -52.4 | -45.6 | 165.7 | -95 | -2.6 | 0 | 0 | 0 | 112.1 | S215 R216 K223 | S215-D219 PolarHBondContact O-N 3.47Å; R216-D219 WeakPolarHBondContact O-CB 3.45Å; D219-K223 WeakPolarHBondContact O-CD 3.4Å; D219-K223 VanDerWaalsContact O-CG 3.32Å; D219-K223 WeakPolarHBondContact O-CG 3.43Å; D219-K223 PolarHBondContact O-N 3.24Å; D219-K223 VanDerWaalsContact O-N 3.14Å |
| 220 | Y | 95.1 | Very high | 91.4 | Very high | 135 Ų | 135 | 107.2 Ų | 107.2 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.8 | -38.1 | 179.5 | -73.1 | -48.5 | 0 | 0 | 0 | 112.4 | R216 I217 D218 Q222 K223 I224 | R216-Y220 HydrophobicContact CG-CD2 4.05Å; R216-Y220 HydrophobicContact CG-CE2 3.6Å; R216-Y220 WeakPolarHBondContact O-CD2 3.38Å; R216-Y220 PolarHBondContact O-N 3.48Å; I217-Y220 PolarHBondContact O-N 2.88Å; D218-Y220 VanDerWaalsContact C-N 3.3Å; D218-Y220 PolarHBondContact O-N 2.84Å; Y220-Q222 VanDerWaalsContact C-N 3.33Å; Y220-Q222 PolarHBondContact O-N 3.48Å; Y220-K223 HydrophobicContact CD1-CD 4.25Å; Y220-K223 PolarHBondContact O-N 3Å; Y220-I224 VanDerWaalsContact O-CG1 3.31Å; Y220-I224 WeakPolarHBondContact O-CG1 3.39Å; Y220-I224 PolarHBondContact O-N 2.89Å |
| 221 | R | 93.8 | Very high | 90.6 | Very high | 159 Ų | 159 | 110.5 Ų | 110.5 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.8 | -44 | 172.7 | -74.8 | 162.7 | 162.5 | 177.6 | -5.8 | 111.6 | I217 D218 K223 I224 A225 | I217-R221 WeakPolarHBondContact O-CG 3.35Å; I217-R221 PolarHBondContact O-N 2.93Å; D218-R221 PolarHBondContact O-N 3.42Å; D218-R221 VanDerWaalsContact OD1-CD 3.23Å; D218-R221 WeakPolarHBondContact OD1-CD 3.35Å; D218-R221 IonicContact OD1-CZ 2.81Å; D218-R221 IonicContact OD1-NE 2.69Å; D218-R221 IonicContact OD1-NH1 3.11Å; D218-R221 PolarHBondContact OD1-NH1 3.48Å; R221-K223 PolarHBondContact O-N 2.95Å; R221-I224 PolarHBondContact O-N 2.9Å; R221-A225 PolarHBondContact O-N 2.85Å |
| 222 | Q | 92.9 | Very high | 89.6 | Confident | 147 Ų | 147 | 112.3 Ų | 112.3 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 178 | -165 | 176 | 39.6 | 0 | 0 | 112.1 | D218 Y220 A225 F226 | D218-Q222 PolarHBondContact O-N 3.45Å; Y220-Q222 VanDerWaalsContact C-N 3.33Å; Y220-Q222 PolarHBondContact O-N 3.48Å; Q222-A225 PolarHBondContact O-N 3.03Å; Q222-F226 PolarHBondContact O-N 3.49Å |
| 223 | K | 94 | Very high | 88.1 | Confident | 109 Ų | 109 | 112.4 Ų | 112.4 | 47% | 0.474 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 174 | -72.3 | 164.1 | -173.8 | 163 | 0 | 112.5 | D219 Y220 R221 F226 I227 | D219-K223 WeakPolarHBondContact O-CD 3.4Å; D219-K223 VanDerWaalsContact O-CG 3.32Å; D219-K223 WeakPolarHBondContact O-CG 3.43Å; D219-K223 PolarHBondContact O-N 3.24Å; D219-K223 VanDerWaalsContact O-N 3.14Å; Y220-K223 HydrophobicContact CD1-CD 4.25Å; Y220-K223 PolarHBondContact O-N 3Å; R221-K223 PolarHBondContact O-N 2.95Å; K223-F226 PolarHBondContact O-N 3.25Å; K223-I227 WeakPolarHBondContact O-CG1 3.45Å; K223-I227 PolarHBondContact O-N 3.45Å |
| 224 | I | 89.3 | Confident | 86.6 | Confident | 94 Ų | 94 | 112.4 Ų | 112.4 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 175.9 | -68.8 | 163.1 | 0 | 0 | 0 | 110.2 | Y220 R221 F226 I227 E228 | Y220-I224 VanDerWaalsContact O-CG1 3.31Å; Y220-I224 WeakPolarHBondContact O-CG1 3.39Å; Y220-I224 PolarHBondContact O-N 2.89Å; R221-I224 PolarHBondContact O-N 2.9Å; I224-F226 VanDerWaalsContact C-N 3.25Å; I224-F226 PolarHBondContact O-N 3.3Å; I224-I227 PolarHBondContact O-N 2.83Å; I224-I227 VanDerWaalsContact O-N 3.11Å; I224-E228 HydrophobicContact CG2-CG 4.29Å; I224-E228 WeakPolarHBondContact O-CG 3.39Å; I224-E228 PolarHBondContact O-N 3.3Å |
| 225 | A | 90 | Very high | 84.5 | Confident | 54 Ų | 54 | 112.2 Ų | 112.2 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -32 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R221 Q222 R229 | R221-A225 PolarHBondContact O-N 2.85Å; Q222-A225 PolarHBondContact O-N 3.03Å; A225-R229 WeakPolarHBondContact O-CB 3.26Å; A225-R229 PolarHBondContact O-N 2.96Å |
| 226 | F | 89.8 | Confident | 82.7 | Confident | 136 Ų | 136 | 114.6 Ų | 114.6 | 60% | 0.596 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.8 | -48.5 | 171.7 | -173.8 | -86 | 0 | 0 | 0 | 111.7 | Q222 K223 I224 E228 R229 E230 | Q222-F226 PolarHBondContact O-N 3.49Å; K223-F226 PolarHBondContact O-N 3.25Å; I224-F226 VanDerWaalsContact C-N 3.25Å; I224-F226 PolarHBondContact O-N 3.3Å; F226-E228 PolarHBondContact O-N 3.13Å; F226-R229 WeakPolarHBondContact O-CA 3.45Å; F226-R229 WeakPolarHBondContact O-CB 3.42Å; F226-R229 PolarHBondContact O-N 3.16Å; F226-E230 PolarHBondContact O-N 2.98Å |
| 227 | I | 85.8 | Confident | 80.6 | Confident | 103 Ų | 103 | 111.7 Ų | 111.7 | 53% | 0.528 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 179.3 | -66.2 | 163.1 | 0 | 0 | 0 | 111.4 | K223 I224 R229 E230 K231 | K223-I227 WeakPolarHBondContact O-CG1 3.45Å; K223-I227 PolarHBondContact O-N 3.45Å; I224-I227 PolarHBondContact O-N 2.83Å; I224-I227 VanDerWaalsContact O-N 3.11Å; I227-R229 PolarHBondContact O-N 3.3Å; I227-E230 PolarHBondContact O-N 3.02Å; I227-K231 VanDerWaalsContact O-CB 3.23Å; I227-K231 WeakPolarHBondContact O-CB 3.31Å; I227-K231 PolarHBondContact O-N 2.92Å |
| 228 | E | 83.7 | Confident | 78.9 | Confident | 114 Ų | 114 | 111.9 Ų | 111.9 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.1 | -22 | 174.4 | -72.1 | -175.1 | 163.2 | 0 | 0 | 113.5 | I224 F226 R232 | I224-E228 HydrophobicContact CG2-CG 4.29Å; I224-E228 WeakPolarHBondContact O-CG 3.39Å; I224-E228 PolarHBondContact O-N 3.3Å; F226-E228 PolarHBondContact O-N 3.13Å; E228-R232 WeakPolarHBondContact O-CG 3.44Å; E228-R232 PolarHBondContact O-NE 3.32Å |
| 229 | R | 83.9 | Confident | 77.4 | Confident | 144 Ų | 144 | 111.7 Ų | 111.7 | 54% | 0.543 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -79.9 | -51 | 171 | -179.3 | 179.6 | 173.9 | 164.2 | 2.2 | 110.7 | A225 F226 I227 K231 R232 E233 | A225-R229 WeakPolarHBondContact O-CB 3.26Å; A225-R229 PolarHBondContact O-N 2.96Å; F226-R229 WeakPolarHBondContact O-CA 3.45Å; F226-R229 WeakPolarHBondContact O-CB 3.42Å; F226-R229 PolarHBondContact O-N 3.16Å; I227-R229 PolarHBondContact O-N 3.3Å; R229-K231 VanDerWaalsContact C-N 3.27Å; R229-K231 PolarHBondContact O-N 3.5Å; R229-R232 PolarHBondContact O-N 2.8Å; R229-E233 IonicContact CZ-OE1 3.7Å; R229-E233 VanDerWaalsContact CZ-OE1 3.22Å; R229-E233 IonicContact NE-OE1 2.68Å; R229-E233 PolarHBondContact NE-OE1 3.15Å; R229-E233 IonicContact NE-OE2 3.81Å; R229-E233 IonicContact NH2-OE1 4Å; R229-E233 PolarHBondContact NH2-OE1 2.86Å; R229-E233 PolarHBondContact O-N 3.3Å |
| 230 | E | 79.3 | Confident | 76.1 | Confident | 104 Ų | 104 | 112.2 Ų | 112.2 | 49% | 0.486 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -55.4 | -44 | 176.7 | -172.4 | 179.3 | 171.8 | 0 | 0 | 110.9 | F226 I227 R232 E233 A234 | F226-E230 PolarHBondContact O-N 2.98Å; I227-E230 PolarHBondContact O-N 3.02Å; E230-R232 VanDerWaalsContact C-N 3.28Å; E230-R232 PolarHBondContact O-N 2.74Å; E230-E233 PolarHBondContact O-N 2.94Å; E230-A234 VanDerWaalsContact O-CB 3.26Å; E230-A234 WeakPolarHBondContact O-CB 3.43Å; E230-A234 PolarHBondContact O-N 3.37Å |
| 231 | K | 77.1 | Confident | 74.9 | Confident | 161 Ų | 161 | 112.2 Ų | 112.2 | 70% | 0.7 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.9 | -30.9 | 174.9 | -174.9 | 176.6 | 179.5 | -178.6 | 0 | 113.8 | I227 R229 A235 | I227-K231 VanDerWaalsContact O-CB 3.23Å; I227-K231 WeakPolarHBondContact O-CB 3.31Å; I227-K231 PolarHBondContact O-N 2.92Å; R229-K231 VanDerWaalsContact C-N 3.27Å; R229-K231 PolarHBondContact O-N 3.5Å; K231-A235 VanDerWaalsContact O-CB 3.28Å; K231-A235 WeakPolarHBondContact O-CB 3.26Å; K231-A235 PolarHBondContact O-N 3.48Å |
| 232 | R | 73.2 | Confident | 73.7 | Confident | 173 Ų | 173 | 110 Ų | 110 | 65% | 0.653 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -80.6 | -36.8 | 175.6 | -80.3 | 179.2 | -70.7 | 158.3 | -4.7 | 112.4 | E228 R229 E230 A234 A235 | E228-R232 WeakPolarHBondContact O-CG 3.44Å; E228-R232 PolarHBondContact O-NE 3.32Å; R229-R232 PolarHBondContact O-N 2.8Å; E230-R232 VanDerWaalsContact C-N 3.28Å; E230-R232 PolarHBondContact O-N 2.74Å; R232-A234 VanDerWaalsContact C-N 3.34Å; R232-A235 PolarHBondContact O-N 3.18Å |
| 233 | E | 64.7 | Low | 72.8 | Confident | 115 Ų | 115 | 107.8 Ų | 107.8 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.4 | -32.1 | 175.9 | -68.1 | 177.4 | -179.5 | 0 | 0 | 111.1 | R229 E230 A235 | R229-E233 IonicContact CZ-OE1 3.7Å; R229-E233 VanDerWaalsContact CZ-OE1 3.22Å; R229-E233 IonicContact NE-OE1 2.68Å; R229-E233 PolarHBondContact NE-OE1 3.15Å; R229-E233 IonicContact NE-OE2 3.81Å; R229-E233 IonicContact NH2-OE1 4Å; R229-E233 PolarHBondContact NH2-OE1 2.86Å; R229-E233 PolarHBondContact O-N 3.3Å; E230-E233 PolarHBondContact O-N 2.94Å; E233-A235 VanDerWaalsContact C-N 3.35Å |
| 234 | A | 60.9 | Low | 71.9 | Confident | 80 Ų | 80 | 106.3 Ų | 106.3 | 66% | 0.661 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -6.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E230 R232 V236 | E230-A234 VanDerWaalsContact O-CB 3.26Å; E230-A234 WeakPolarHBondContact O-CB 3.43Å; E230-A234 PolarHBondContact O-N 3.37Å; R232-A234 VanDerWaalsContact C-N 3.34Å; A234-V236 VanDerWaalsContact C-N 3.28Å |
| 235 | A | 52.5 | Low | 71.3 | Confident | 71 Ų | 71 | 105.6 Ų | 105.6 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 12.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K231 R232 E233 D237 | K231-A235 VanDerWaalsContact O-CB 3.28Å; K231-A235 WeakPolarHBondContact O-CB 3.26Å; K231-A235 PolarHBondContact O-N 3.48Å; R232-A235 PolarHBondContact O-N 3.18Å; E233-A235 VanDerWaalsContact C-N 3.35Å; A235-D237 PolarHBondContact O-N 3.46Å |
| 236 | V | 55.3 | Low | 70.5 | Confident | 120 Ų | 120 | 109.2 Ų | 109.2 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -68.4 | 101.5 | 164.4 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | A234 P238 | A234-V236 VanDerWaalsContact C-N 3.28Å; V236-P238 WeakPolarHBondContact O-CD 3.33Å |
| 237 | D | 50.5 | Low | 70.1 | Confident | 77 Ų | 77 | 106.3 Ų | 106.3 | 41% | 0.412 | 56% | 0.556 | S | S | . | * | trans | -60.3 | 111.5 | -161.6 | 177.5 | 15 | 0 | 0 | 0 | 113.4 | A235 S239 N240 | A235-D237 PolarHBondContact O-N 3.46Å; D237-S239 PolarHBondContact O-N 2.95Å; D237-S239 VanDerWaalsContact O-N 3.11Å; D237-S239 WeakPolarHBondContact OD1-CB 3.45Å; D237-S239 PolarHBondContact OD1-N 3.47Å; D237-S239 PolarHBondContact OD1-OG 3.3Å; D237-N240 PolarHBondContact O-N 3.44Å; D237-N240 VanDerWaalsContact O-N 3.11Å; D237-N240 PolarHBondContact OD2-ND2 3.34Å | ||
| 238 | P | 57.9 | Low | 70 | Confident | 92 Ų | 92 | 107.2 Ų | 107.2 | 60% | 0.597 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.2 | -16.1 | -178.6 | 28.7 | -35.8 | 0 | 0 | 0 | 112.6 | V236 N240 E241 L242 | V236-P238 WeakPolarHBondContact O-CD 3.33Å; P238-N240 PolarHBondContact O-N 3.39Å; P238-E241 PolarHBondContact O-N 2.86Å; P238-L242 WeakPolarHBondContact O-CB 3.28Å; P238-L242 PolarHBondContact O-N 3.44Å |
| 239 | S | 61.3 | Low | 69.8 | Low | 71 Ų | 71 | 106 Ų | 106 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.1 | -31.1 | 173.9 | -42.9 | 0 | 0 | 0 | 0 | 112 | D237 L243 | D237-S239 PolarHBondContact O-N 2.95Å; D237-S239 VanDerWaalsContact O-N 3.11Å; D237-S239 WeakPolarHBondContact OD1-CB 3.45Å; D237-S239 PolarHBondContact OD1-N 3.47Å; D237-S239 PolarHBondContact OD1-OG 3.3Å; S239-L243 VanDerWaalsContact O-CB 3.22Å; S239-L243 WeakPolarHBondContact O-CB 3.42Å; S239-L243 PolarHBondContact O-N 2.92Å |
| 240 | N | 66.6 | Low | 69.9 | Low | 98 Ų | 98 | 100.8 Ų | 100.8 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.7 | -43.3 | 178.2 | -70.8 | -72.6 | 0 | 0 | 0 | 112.2 | D237 P238 L243 T244 | D237-N240 PolarHBondContact O-N 3.44Å; D237-N240 VanDerWaalsContact O-N 3.11Å; D237-N240 PolarHBondContact OD2-ND2 3.34Å; P238-N240 PolarHBondContact O-N 3.39Å; N240-L243 PolarHBondContact O-N 3.35Å; N240-T244 PolarHBondContact O-N 3.07Å; N240-T244 PolarHBondContact O-OG1 2.95Å |
| 241 | E | 70 | Confident | 70.1 | Confident | 134 Ų | 134 | 100.5 Ų | 100.5 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.7 | -38.7 | 176.4 | -173.5 | 171.3 | -165.5 | 0 | 0 | 111 | P238 L243 T244 L245 | P238-E241 PolarHBondContact O-N 2.86Å; E241-L243 PolarHBondContact O-N 3.14Å; E241-T244 PolarHBondContact O-N 3.27Å; E241-T244 PolarHBondContact O-OG1 3.46Å; E241-L245 HydrophobicContact CG-CD1 4.05Å; E241-L245 HydrophobicContact CG-CG 4.49Å; E241-L245 WeakPolarHBondContact O-CB 3.39Å; E241-L245 VanDerWaalsContact O-CG 3.27Å; E241-L245 WeakPolarHBondContact O-CG 3.28Å; E241-L245 PolarHBondContact O-N 2.86Å |
| 242 | L | 69.9 | Low | 70.3 | Confident | 114 Ų | 114 | 94.9 Ų | 94.9 | 60% | 0.597 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.8 | -44.8 | 171.6 | -178.3 | 62.1 | 0 | 0 | 0 | 111.6 | P238 L245 Q246 | P238-L242 WeakPolarHBondContact O-CB 3.28Å; P238-L242 PolarHBondContact O-N 3.44Å; L242-L245 PolarHBondContact O-N 3.17Å; L242-Q246 WeakPolarHBondContact O-CB 3.33Å; L242-Q246 PolarHBondContact O-N 2.93Å |
| 243 | L | 73.3 | Confident | 70.9 | Confident | 100 Ų | 100 | 94.3 Ų | 94.3 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 179 | -176.9 | 62.7 | 0 | 0 | 0 | 112.4 | S239 N240 E241 T247 | S239-L243 VanDerWaalsContact O-CB 3.22Å; S239-L243 WeakPolarHBondContact O-CB 3.42Å; S239-L243 PolarHBondContact O-N 2.92Å; N240-L243 PolarHBondContact O-N 3.35Å; E241-L243 PolarHBondContact O-N 3.14Å; L243-T247 WeakPolarHBondContact O-CB 3.34Å; L243-T247 PolarHBondContact O-N 3.49Å; L243-T247 PolarHBondContact O-OG1 3.22Å |
| 244 | T | 74.7 | Confident | 71.9 | Confident | 78 Ų | 78 | 94.6 Ų | 94.6 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 175.1 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | N240 E241 Q246 T247 E248 | N240-T244 PolarHBondContact O-N 3.07Å; N240-T244 PolarHBondContact O-OG1 2.95Å; E241-T244 PolarHBondContact O-N 3.27Å; E241-T244 PolarHBondContact O-OG1 3.46Å; T244-Q246 PolarHBondContact O-N 2.84Å; T244-T247 WeakPolarHBondContact O-CB 3.35Å; T244-T247 PolarHBondContact O-N 3.12Å; T244-E248 PolarHBondContact O-N 3.27Å |
| 245 | L | 76.5 | Confident | 73.1 | Confident | 79 Ų | 79 | 96.9 Ų | 96.9 | 41% | 0.414 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 176.9 | -70.5 | 171.8 | 0 | 0 | 0 | 112.4 | E241 L242 T247 L249 | E241-L245 HydrophobicContact CG-CD1 4.05Å; E241-L245 HydrophobicContact CG-CG 4.49Å; E241-L245 WeakPolarHBondContact O-CB 3.39Å; E241-L245 VanDerWaalsContact O-CG 3.27Å; E241-L245 WeakPolarHBondContact O-CG 3.28Å; E241-L245 PolarHBondContact O-N 2.86Å; L242-L245 PolarHBondContact O-N 3.17Å; L245-T247 VanDerWaalsContact C-N 3.31Å; L245-L249 VanDerWaalsContact O-CB 3.29Å; L245-L249 WeakPolarHBondContact O-CB 3.46Å; L245-L249 PolarHBondContact O-N 3.06Å |
| 246 | Q | 74.1 | Confident | 74.5 | Confident | 130 Ų | 130 | 99.4 Ų | 99.4 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.4 | -34.5 | 174.4 | -173.3 | 172.7 | 1.5 | 0 | 0 | 111.8 | L242 T244 G250 | L242-Q246 WeakPolarHBondContact O-CB 3.33Å; L242-Q246 PolarHBondContact O-N 2.93Å; T244-Q246 PolarHBondContact O-N 2.84Å; Q246-G250 PolarHBondContact O-N 3.04Å; Q246-G250 VanDerWaalsContact O-N 3.14Å |
| 247 | T | 80.8 | Confident | 75.9 | Confident | 74 Ų | 74 | 96 Ų | 96 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.8 | -49.6 | 174.6 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | L243 T244 L245 L249 G250 E251 | L243-T247 WeakPolarHBondContact O-CB 3.34Å; L243-T247 PolarHBondContact O-N 3.49Å; L243-T247 PolarHBondContact O-OG1 3.22Å; T244-T247 WeakPolarHBondContact O-CB 3.35Å; T244-T247 PolarHBondContact O-N 3.12Å; L245-T247 VanDerWaalsContact C-N 3.31Å; T247-L249 VanDerWaalsContact C-N 3.29Å; T247-L249 PolarHBondContact O-N 3.44Å; T247-G250 WeakPolarHBondContact O-CA 3.3Å; T247-G250 PolarHBondContact O-N 2.8Å; T247-E251 PolarHBondContact O-N 3.37Å |
| 248 | E | 84 | Confident | 77.7 | Confident | 122 Ų | 122 | 98.3 Ų | 98.3 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.3 | -38.7 | 175.8 | -73.7 | -173.9 | -169.6 | 0 | 0 | 112.3 | T244 E251 A252 | T244-E248 PolarHBondContact O-N 3.27Å; E248-E251 PolarHBondContact O-N 3.47Å; E248-A252 WeakPolarHBondContact O-CB 3.49Å; E248-A252 PolarHBondContact O-N 3.44Å |
| 249 | L | 79.7 | Confident | 79 | Confident | 89 Ų | 89 | 98.3 Ų | 98.3 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 174.9 | -179.1 | 61.7 | 0 | 0 | 0 | 112.3 | L245 T247 R253 | L245-L249 VanDerWaalsContact O-CB 3.29Å; L245-L249 WeakPolarHBondContact O-CB 3.46Å; L245-L249 PolarHBondContact O-N 3.06Å; T247-L249 VanDerWaalsContact C-N 3.29Å; T247-L249 PolarHBondContact O-N 3.44Å; L249-R253 WeakPolarHBondContact O-CG 3.45Å; L249-R253 PolarHBondContact O-N 3.05Å |
| 250 | G | 85.3 | Confident | 80.1 | Confident | 34 Ų | 34 | 98.3 Ų | 98.3 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -50.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q246 T247 A252 R253 M254 | Q246-G250 PolarHBondContact O-N 3.04Å; Q246-G250 VanDerWaalsContact O-N 3.14Å; T247-G250 WeakPolarHBondContact O-CA 3.3Å; T247-G250 PolarHBondContact O-N 2.8Å; G250-A252 VanDerWaalsContact C-N 3.29Å; G250-A252 PolarHBondContact O-N 3.3Å; G250-R253 PolarHBondContact O-N 3.45Å; G250-M254 PolarHBondContact O-N 3.41Å |
| 251 | E | 85 | Confident | 81 | Confident | 98 Ų | 98 | 99.1 Ų | 99.1 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 176.1 | -67.8 | -174.5 | -178.8 | 0 | 0 | 113.3 | T247 E248 R255 | T247-E251 PolarHBondContact O-N 3.37Å; E248-E251 PolarHBondContact O-N 3.47Å; E251-R255 WeakPolarHBondContact O-CG 3.47Å; E251-R255 PolarHBondContact O-N 3.19Å; E251-R255 PolarHBondContact O-NE 3.11Å; E251-R255 IonicContact OE2-NH2 3.06Å |
| 252 | A | 80.7 | Confident | 81.8 | Confident | 43 Ų | 43 | 95.5 Ų | 95.5 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | E248 G250 R255 E256 | E248-A252 WeakPolarHBondContact O-CB 3.49Å; E248-A252 PolarHBondContact O-N 3.44Å; G250-A252 VanDerWaalsContact C-N 3.29Å; G250-A252 PolarHBondContact O-N 3.3Å; A252-R255 PolarHBondContact O-N 3.12Å; A252-E256 WeakPolarHBondContact O-CB 3.3Å; A252-E256 PolarHBondContact O-N 2.98Å |
| 253 | R | 85.7 | Confident | 82.5 | Confident | 161 Ų | 161 | 95.8 Ų | 95.8 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -36.1 | 177.7 | -75.3 | 175 | 174.2 | -179.1 | -0.5 | 113.3 | L249 G250 E256 A257 | L249-R253 WeakPolarHBondContact O-CG 3.45Å; L249-R253 PolarHBondContact O-N 3.05Å; G250-R253 PolarHBondContact O-N 3.45Å; R253-E256 PolarHBondContact O-N 3.41Å; R253-A257 PolarHBondContact O-N 3.43Å |
| 254 | M | 84.8 | Confident | 83.2 | Confident | 122 Ų | 122 | 95.9 Ų | 95.9 | 60% | 0.601 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.7 | -46.3 | 173.8 | -68.8 | -166.8 | -59.9 | 0 | 0 | 111.3 | G250 E256 A257 E258 | G250-M254 PolarHBondContact O-N 3.41Å; M254-E256 VanDerWaalsContact C-N 3.29Å; M254-E256 PolarHBondContact O-N 3.08Å; M254-A257 PolarHBondContact O-N 2.82Å; M254-E258 WeakPolarHBondContact O-CG 3.43Å; M254-E258 PolarHBondContact O-N 3.44Å |
| 255 | R | 87.2 | Confident | 83.8 | Confident | 128 Ų | 128 | 97 Ų | 97 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -33.4 | 175.4 | -75.2 | 175.2 | -77.5 | 156.1 | -15.4 | 113.1 | E251 A252 L259 | E251-R255 WeakPolarHBondContact O-CG 3.47Å; E251-R255 PolarHBondContact O-N 3.19Å; E251-R255 PolarHBondContact O-NE 3.11Å; E251-R255 IonicContact OE2-NH2 3.06Å; A252-R255 PolarHBondContact O-N 3.12Å; R255-L259 WeakPolarHBondContact O-CB 3.29Å; R255-L259 VanDerWaalsContact O-CG 3.24Å; R255-L259 WeakPolarHBondContact O-CG 3.38Å; R255-L259 PolarHBondContact O-N 3.38Å |
| 256 | E | 81.9 | Confident | 84.4 | Confident | 123 Ų | 123 | 97.4 Ų | 97.4 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -47.8 | 172.6 | -176.1 | 170.1 | -141.5 | 0 | 0 | 111 | A252 R253 M254 E258 L259 T260 | A252-E256 WeakPolarHBondContact O-CB 3.3Å; A252-E256 PolarHBondContact O-N 2.98Å; R253-E256 PolarHBondContact O-N 3.41Å; M254-E256 VanDerWaalsContact C-N 3.29Å; M254-E256 PolarHBondContact O-N 3.08Å; E256-E258 PolarHBondContact O-N 3.33Å; E256-L259 PolarHBondContact O-N 2.98Å; E256-T260 PolarHBondContact O-N 3.46Å; E256-T260 PolarHBondContact O-OG1 3.45Å |
| 257 | A | 84.5 | Confident | 85.1 | Confident | 49 Ų | 49 | 96.3 Ų | 96.3 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R253 M254 L259 T260 I261 | R253-A257 PolarHBondContact O-N 3.43Å; M254-A257 PolarHBondContact O-N 2.82Å; A257-L259 VanDerWaalsContact C-N 3.32Å; A257-L259 PolarHBondContact O-N 2.82Å; A257-T260 PolarHBondContact O-N 2.9Å; A257-I261 WeakPolarHBondContact O-CG1 3.23Å; A257-I261 PolarHBondContact O-N 2.84Å |
| 258 | E | 87.2 | Confident | 85.5 | Confident | 126 Ų | 126 | 99.2 Ų | 99.2 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.9 | -41.7 | 173.7 | -71 | 171.6 | 167.3 | 0 | 0 | 112.2 | M254 E256 S262 | M254-E258 WeakPolarHBondContact O-CG 3.43Å; M254-E258 PolarHBondContact O-N 3.44Å; E256-E258 PolarHBondContact O-N 3.33Å; E258-S262 WeakPolarHBondContact O-CB 3.32Å; E258-S262 PolarHBondContact O-N 3.1Å; E258-S262 VanDerWaalsContact O-N 3.09Å; E258-S262 PolarHBondContact O-OG 2.97Å |
| 259 | L | 85.3 | Confident | 85.8 | Confident | 92 Ų | 92 | 100.4 Ų | 100.4 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.7 | -33.4 | 176.3 | -73.5 | 170.6 | 0 | 0 | 0 | 112.5 | R255 E256 A257 S262 F263 | R255-L259 WeakPolarHBondContact O-CB 3.29Å; R255-L259 VanDerWaalsContact O-CG 3.24Å; R255-L259 WeakPolarHBondContact O-CG 3.38Å; R255-L259 PolarHBondContact O-N 3.38Å; E256-L259 PolarHBondContact O-N 2.98Å; A257-L259 VanDerWaalsContact C-N 3.32Å; A257-L259 PolarHBondContact O-N 2.82Å; L259-S262 WeakPolarHBondContact CA-OG 3.43Å; L259-S262 PolarHBondContact O-OG 3.39Å; L259-F263 VanDerWaalsContact O-CB 3.27Å; L259-F263 WeakPolarHBondContact O-CB 3.36Å; L259-F263 PolarHBondContact O-N 2.91Å |
| 260 | T | 85.2 | Confident | 86.2 | Confident | 71 Ų | 71 | 100.1 Ų | 100.1 | 44% | 0.436 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -50.1 | 173.7 | -56 | 0 | 0 | 0 | 0 | 111.3 | E256 A257 S262 F263 E264 | E256-T260 PolarHBondContact O-N 3.46Å; E256-T260 PolarHBondContact O-OG1 3.45Å; A257-T260 PolarHBondContact O-N 2.9Å; T260-S262 VanDerWaalsContact C-N 3.34Å; T260-S262 PolarHBondContact O-N 3.31Å; T260-F263 WeakPolarHBondContact O-CB 3.31Å; T260-F263 PolarHBondContact O-N 3.24Å; T260-F263 VanDerWaalsContact O-N 3.14Å; T260-E264 PolarHBondContact O-N 3.14Å |
| 261 | I | 86.3 | Confident | 86.4 | Confident | 115 Ų | 115 | 101.1 Ų | 101.1 | 59% | 0.59 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | -180 | -66.1 | 164.6 | 0 | 0 | 0 | 111 | A257 F263 E264 E265 | A257-I261 WeakPolarHBondContact O-CG1 3.23Å; A257-I261 PolarHBondContact O-N 2.84Å; I261-F263 VanDerWaalsContact C-N 3.32Å; I261-F263 PolarHBondContact O-N 2.91Å; I261-E264 PolarHBondContact O-N 3.43Å; I261-E265 PolarHBondContact O-N 2.89Å |
| 262 | S | 85.8 | Confident | 86.5 | Confident | 58 Ų | 58 | 98.8 Ų | 98.8 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.1 | -23.9 | 177.8 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | E258 L259 T260 L266 | E258-S262 WeakPolarHBondContact O-CB 3.32Å; E258-S262 PolarHBondContact O-N 3.1Å; E258-S262 VanDerWaalsContact O-N 3.09Å; E258-S262 PolarHBondContact O-OG 2.97Å; L259-S262 WeakPolarHBondContact CA-OG 3.43Å; L259-S262 PolarHBondContact O-OG 3.39Å; T260-S262 VanDerWaalsContact C-N 3.34Å; T260-S262 PolarHBondContact O-N 3.31Å; S262-L266 WeakPolarHBondContact O-CB 3.26Å; S262-L266 PolarHBondContact O-N 3.14Å; S262-L266 VanDerWaalsContact O-N 3.14Å |
| 263 | F | 85.5 | Confident | 86.8 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 52% | 0.522 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.4 | -43.1 | 168.2 | -179.2 | -92.9 | 0 | 0 | 0 | 111.9 | L259 T260 I261 L266 Q267 | L259-F263 VanDerWaalsContact O-CB 3.27Å; L259-F263 WeakPolarHBondContact O-CB 3.36Å; L259-F263 PolarHBondContact O-N 2.91Å; T260-F263 WeakPolarHBondContact O-CB 3.31Å; T260-F263 PolarHBondContact O-N 3.24Å; T260-F263 VanDerWaalsContact O-N 3.14Å; I261-F263 VanDerWaalsContact C-N 3.32Å; I261-F263 PolarHBondContact O-N 2.91Å; F263-L266 PolarHBondContact O-N 3.45Å; F263-Q267 WeakPolarHBondContact O-CB 3.36Å; F263-Q267 PolarHBondContact O-N 2.92Å |
| 264 | E | 86.1 | Confident | 86.9 | Confident | 103 Ų | 103 | 97.7 Ų | 97.7 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.9 | -70.8 | -179.2 | 169.2 | 0 | 0 | 111.9 | T260 I261 L266 Q267 H268 | T260-E264 PolarHBondContact O-N 3.14Å; I261-E264 PolarHBondContact O-N 3.43Å; E264-L266 VanDerWaalsContact C-N 3.32Å; E264-L266 PolarHBondContact O-N 3.31Å; E264-Q267 PolarHBondContact O-N 2.91Å; E264-H268 PolarHBondContact O-CD2 3.48Å; E264-H268 PolarHBondContact O-N 2.94Å |
| 265 | E | 87.5 | Confident | 87 | Confident | 100 Ų | 100 | 99.7 Ų | 99.7 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 173.1 | -166.5 | -147.4 | 121.7 | 0 | 0 | 111.2 | I261 H268 R269 | I261-E265 PolarHBondContact O-N 2.89Å; E265-H268 PolarHBondContact O-N 2.93Å; E265-R269 WeakPolarHBondContact O-CB 3.35Å; E265-R269 VanDerWaalsContact O-CG 3.26Å; E265-R269 WeakPolarHBondContact O-CG 3.46Å; E265-R269 PolarHBondContact O-N 3.18Å; E265-R269 WeakPolarHBondContact OE1-CD 3.4Å; E265-R269 IonicContact OE1-CZ 3.68Å; E265-R269 IonicContact OE1-NE 3.8Å; E265-R269 IonicContact OE1-NH1 2.76Å; E265-R269 PolarHBondContact OE1-NH1 3.36Å |
| 266 | L | 89.6 | Confident | 86.9 | Confident | 89 Ų | 89 | 98.5 Ų | 98.5 | 47% | 0.466 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 178.3 | -176 | 61.2 | 0 | 0 | 0 | 111.8 | S262 F263 E264 R269 I270 | S262-L266 WeakPolarHBondContact O-CB 3.26Å; S262-L266 PolarHBondContact O-N 3.14Å; S262-L266 VanDerWaalsContact O-N 3.14Å; F263-L266 PolarHBondContact O-N 3.45Å; E264-L266 VanDerWaalsContact C-N 3.32Å; E264-L266 PolarHBondContact O-N 3.31Å; L266-R269 PolarHBondContact O-N 2.87Å; L266-I270 HydrophobicContact CD1-CD1 4.44Å; L266-I270 HydrophobicContact CG-CD1 4.09Å; L266-I270 WeakPolarHBondContact O-CG1 3.46Å; L266-I270 PolarHBondContact O-N 3.3Å |
| 267 | Q | 88.5 | Confident | 86.9 | Confident | 107 Ų | 107 | 93.6 Ų | 93.6 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.4 | -173.4 | 174.6 | -3.6 | 0 | 0 | 111.7 | F263 E264 R269 I270 T271 | F263-Q267 WeakPolarHBondContact O-CB 3.36Å; F263-Q267 PolarHBondContact O-N 2.92Å; E264-Q267 PolarHBondContact O-N 2.91Å; Q267-R269 VanDerWaalsContact C-N 3.34Å; Q267-I270 PolarHBondContact O-N 3.29Å; Q267-T271 WeakPolarHBondContact O-CB 3.35Å; Q267-T271 PolarHBondContact O-N 3.32Å; Q267-T271 PolarHBondContact O-OG1 3.34Å |
| 268 | H | 89.4 | Confident | 86.7 | Confident | 135 Ų | 135 | 98.6 Ų | 98.6 | 63% | 0.625 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.5 | -39.7 | 172.1 | -76.4 | -51.8 | 0 | 0 | 0 | 112.3 | E264 E265 T271 A272 | E264-H268 PolarHBondContact O-CD2 3.48Å; E264-H268 PolarHBondContact O-N 2.94Å; E265-H268 PolarHBondContact O-N 2.93Å; H268-T271 PolarHBondContact O-N 2.92Å; H268-A272 WeakPolarHBondContact O-CB 3.49Å; H268-A272 PolarHBondContact O-N 3.1Å |
| 269 | R | 90.1 | Very high | 86.6 | Confident | 146 Ų | 146 | 97.7 Ų | 97.7 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.5 | -39.6 | 177.2 | -74.7 | 169.2 | 59.8 | 175.2 | -1.2 | 112.8 | E265 L266 Q267 A272 I273 | E265-R269 WeakPolarHBondContact O-CB 3.35Å; E265-R269 VanDerWaalsContact O-CG 3.26Å; E265-R269 WeakPolarHBondContact O-CG 3.46Å; E265-R269 PolarHBondContact O-N 3.18Å; E265-R269 WeakPolarHBondContact OE1-CD 3.4Å; E265-R269 IonicContact OE1-CZ 3.68Å; E265-R269 IonicContact OE1-NE 3.8Å; E265-R269 IonicContact OE1-NH1 2.76Å; E265-R269 PolarHBondContact OE1-NH1 3.36Å; L266-R269 PolarHBondContact O-N 2.87Å; Q267-R269 VanDerWaalsContact C-N 3.34Å; R269-A272 PolarHBondContact O-N 3.41Å; R269-I273 VanDerWaalsContact O-CG1 3.32Å; R269-I273 WeakPolarHBondContact O-CG1 3.5Å; R269-I273 PolarHBondContact O-N 3.12Å |
| 270 | I | 87.9 | Confident | 86.4 | Confident | 83 Ų | 83 | 96.5 Ų | 96.5 | 43% | 0.426 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -51.8 | 171.4 | -69.7 | 164.2 | 0 | 0 | 0 | 109.5 | L266 Q267 A272 I273 D274 | L266-I270 HydrophobicContact CD1-CD1 4.44Å; L266-I270 HydrophobicContact CG-CD1 4.09Å; L266-I270 WeakPolarHBondContact O-CG1 3.46Å; L266-I270 PolarHBondContact O-N 3.3Å; Q267-I270 PolarHBondContact O-N 3.29Å; I270-A272 PolarHBondContact O-N 3.21Å; I270-A272 VanDerWaalsContact O-N 3.13Å; I270-I273 CarbonylContact O-C 3.58Å; I270-I273 WeakPolarHBondContact O-CA 3.44Å; I270-I273 WeakPolarHBondContact O-CB 3.27Å; I270-I273 PolarHBondContact O-N 3.24Å; I270-D274 WeakPolarHBondContact CG2-OD2 3.41Å; I270-D274 PolarHBondContact O-N 2.93Å |
| 271 | T | 90.3 | Very high | 85.9 | Confident | 55 Ų | 55 | 97 Ų | 97 | 34% | 0.337 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.4 | -34.2 | 177.7 | -51.3 | 0 | 0 | 0 | 0 | 112.8 | Q267 H268 R275 | Q267-T271 WeakPolarHBondContact O-CB 3.35Å; Q267-T271 PolarHBondContact O-N 3.32Å; Q267-T271 PolarHBondContact O-OG1 3.34Å; H268-T271 PolarHBondContact O-N 2.92Å; T271-R275 WeakPolarHBondContact O-CG 3.46Å; T271-R275 PolarHBondContact O-N 2.87Å |
| 272 | A | 88.2 | Confident | 85.5 | Confident | 50 Ų | 50 | 99.5 Ų | 99.5 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.4 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H268 R269 I270 L276 | H268-A272 WeakPolarHBondContact O-CB 3.49Å; H268-A272 PolarHBondContact O-N 3.1Å; R269-A272 PolarHBondContact O-N 3.41Å; I270-A272 PolarHBondContact O-N 3.21Å; I270-A272 VanDerWaalsContact O-N 3.13Å; A272-L276 WeakPolarHBondContact O-CG 3.42Å; A272-L276 PolarHBondContact O-N 2.74Å; A272-L276 VanDerWaalsContact O-N 3.11Å |
| 273 | I | 86.9 | Confident | 84.6 | Confident | 91 Ų | 91 | 100 Ų | 100 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.2 | -43.8 | 174 | -69.7 | 163.4 | 0 | 0 | 0 | 110.6 | R269 I270 R275 L276 I277 | R269-I273 VanDerWaalsContact O-CG1 3.32Å; R269-I273 WeakPolarHBondContact O-CG1 3.5Å; R269-I273 PolarHBondContact O-N 3.12Å; I270-I273 CarbonylContact O-C 3.58Å; I270-I273 WeakPolarHBondContact O-CA 3.44Å; I270-I273 WeakPolarHBondContact O-CB 3.27Å; I270-I273 PolarHBondContact O-N 3.24Å; I273-R275 VanDerWaalsContact C-N 3.32Å; I273-R275 PolarHBondContact O-N 3.29Å; I273-L276 WeakPolarHBondContact O-CB 3.45Å; I273-L276 PolarHBondContact O-N 3.2Å; I273-I277 HydrophobicContact CG2-CD1 3.91Å; I273-I277 WeakPolarHBondContact O-CG1 3.43Å; I273-I277 PolarHBondContact O-N 3.18Å |
| 274 | D | 86.5 | Confident | 84.1 | Confident | 89 Ų | 89 | 98.7 Ų | 98.7 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 178 | -62.7 | -31.3 | 0 | 0 | 0 | 111 | I270 L276 I277 E278 | I270-D274 WeakPolarHBondContact CG2-OD2 3.41Å; I270-D274 PolarHBondContact O-N 2.93Å; D274-L276 PolarHBondContact O-N 2.7Å; D274-I277 WeakPolarHBondContact O-CB 3.23Å; D274-I277 PolarHBondContact O-N 3.41Å; D274-E278 PolarHBondContact O-N 3.01Å |
| 275 | R | 86.7 | Confident | 83.5 | Confident | 164 Ų | 164 | 99 Ų | 99 | 62% | 0.619 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -38 | 172.9 | -73.5 | 175.9 | -176.8 | -174.2 | 2.6 | 113.1 | T271 I273 I277 E278 T279 | T271-R275 WeakPolarHBondContact O-CG 3.46Å; T271-R275 PolarHBondContact O-N 2.87Å; I273-R275 VanDerWaalsContact C-N 3.32Å; I273-R275 PolarHBondContact O-N 3.29Å; R275-I277 VanDerWaalsContact C-N 3.32Å; R275-E278 PolarHBondContact O-N 3.28Å; R275-T279 WeakPolarHBondContact O-CG2 3.26Å; R275-T279 PolarHBondContact O-N 2.96Å; R275-T279 PolarHBondContact O-OG1 3.48Å; R275-T279 VanDerWaalsContact O-OG1 3.1Å |
| 276 | L | 85.4 | Confident | 82.8 | Confident | 103 Ų | 103 | 100.3 Ų | 100.3 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 176 | -77.5 | 166.4 | 0 | 0 | 0 | 111.5 | A272 I273 D274 T279 D280 M283 | A272-L276 WeakPolarHBondContact O-CG 3.42Å; A272-L276 PolarHBondContact O-N 2.74Å; A272-L276 VanDerWaalsContact O-N 3.11Å; I273-L276 WeakPolarHBondContact O-CB 3.45Å; I273-L276 PolarHBondContact O-N 3.2Å; D274-L276 PolarHBondContact O-N 2.7Å; L276-T279 WeakPolarHBondContact CA-OG1 3.43Å; L276-T279 PolarHBondContact O-N 3.42Å; L276-T279 PolarHBondContact O-OG1 3.26Å; L276-D280 PolarHBondContact O-N 2.88Å; L276-M283 HydrophobicContact CB-CE 4.22Å |
| 277 | I | 81.8 | Confident | 81.7 | Confident | 20 Ų | 20 | 99.9 Ų | 99.9 | 10% | 0.103 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 173.8 | -63.1 | 162 | 0 | 0 | 0 | 110.6 | I273 D274 R275 T279 D280 M283 F287 | I273-I277 HydrophobicContact CG2-CD1 3.91Å; I273-I277 WeakPolarHBondContact O-CG1 3.43Å; I273-I277 PolarHBondContact O-N 3.18Å; D274-I277 WeakPolarHBondContact O-CB 3.23Å; D274-I277 PolarHBondContact O-N 3.41Å; R275-I277 VanDerWaalsContact C-N 3.32Å; I277-T279 VanDerWaalsContact C-N 3.32Å; I277-T279 PolarHBondContact O-N 2.86Å; I277-D280 PolarHBondContact O-N 3.3Å; I277-D280 VanDerWaalsContact O-O 3.08Å; I277-M283 HydrophobicContact CG1-CE 3.84Å; I277-M283 HydrophobicContact CG2-CB 4.4Å; I277-F287 HydrophobicContact CD1-CD1 4.22Å; I277-F287 HydrophobicContact CD1-CD2 3.71Å; I277-F287 HydrophobicContact CD1-CE1 4.02Å; I277-F287 HydrophobicContact CD1-CE2 3.49Å; I277-F287 VanDerWaalsContact CD1-CE2 3.49Å; I277-F287 HydrophobicContact CD1-CG 4.08Å; I277-F287 HydrophobicContact CD1-CZ 3.65Å; I277-F287 HydrophobicContact CG1-CD2 3.85Å; I277-F287 HydrophobicContact CG1-CE2 3.76Å; I277-F287 HydrophobicContact CG1-CZ 4.4Å; I277-F287 HydrophobicContact CG2-CB 4.25Å; I277-F287 HydrophobicContact CG2-CD2 3.98Å; I277-F287 HydrophobicContact CG2-CG 4.27Å |
| 278 | E | 80.5 | Confident | 80.8 | Confident | 154 Ų | 154 | 99.8 Ų | 99.8 | 72% | 0.72 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -32.2 | 177.1 | -171.5 | 179.2 | -154.6 | 0 | 0 | 112.9 | D274 R275 | D274-E278 PolarHBondContact O-N 3.01Å; R275-E278 PolarHBondContact O-N 3.28Å |
| 279 | T | 85.1 | Confident | 79.7 | Confident | 107 Ų | 107 | 96.9 Ų | 96.9 | 66% | 0.656 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -81.4 | -14.3 | 177.9 | 55.5 | 0 | 0 | 0 | 0 | 115.4 | R275 L276 I277 | R275-T279 WeakPolarHBondContact O-CG2 3.26Å; R275-T279 PolarHBondContact O-N 2.96Å; R275-T279 PolarHBondContact O-OG1 3.48Å; R275-T279 VanDerWaalsContact O-OG1 3.1Å; L276-T279 WeakPolarHBondContact CA-OG1 3.43Å; L276-T279 PolarHBondContact O-N 3.42Å; L276-T279 PolarHBondContact O-OG1 3.26Å; I277-T279 VanDerWaalsContact C-N 3.32Å; I277-T279 PolarHBondContact O-N 2.86Å |
| 280 | D | 81.1 | Confident | 78.5 | Confident | 67 Ų | 67 | 92.5 Ų | 92.5 | 36% | 0.358 | 49% | 0.485 | S | S | . | . | trans | -121.5 | 104.4 | -178 | -175.7 | -13.9 | 0 | 0 | 0 | 110.6 | L276 I277 E282 M283 E284 | L276-D280 PolarHBondContact O-N 2.88Å; I277-D280 PolarHBondContact O-N 3.3Å; I277-D280 VanDerWaalsContact O-O 3.08Å; D280-E282 PolarHBondContact O-N 2.89Å; D280-E282 VanDerWaalsContact O-N 3.17Å; D280-E282 PolarHBondContact OD1-N 2.85Å; D280-M283 HydrophobicContact CB-CB 4.07Å; D280-M283 HydrophobicContact CB-CG 4.03Å; D280-M283 WeakPolarHBondContact O-CA 3.24Å; D280-M283 WeakPolarHBondContact O-CB 3.41Å; D280-M283 PolarHBondContact O-N 3.39Å; D280-E284 PolarHBondContact O-N 3.03Å | ||
| 281 | P | 75.1 | Confident | 76.7 | Confident | 83 Ų | 83 | 94 Ų | 94 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.6 | -16.2 | -177.6 | 27.4 | -34.5 | 0 | 0 | 0 | 113.7 | N285 | P281-N285 WeakPolarHBondContact O-CB 3.47Å; P281-N285 PolarHBondContact O-N 3.2Å; P281-N285 VanDerWaalsContact O-N 3.15Å; P281-N285 PolarHBondContact O-ND2 2.87Å |
| 282 | E | 76.7 | Confident | 74.8 | Confident | 166 Ų | 166 | 96.6 Ų | 96.6 | 78% | 0.776 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.6 | -37.4 | 168.4 | -69.2 | -166.5 | -175 | 0 | 0 | 111 | D280 F286 | D280-E282 PolarHBondContact O-N 2.89Å; D280-E282 VanDerWaalsContact O-N 3.17Å; D280-E282 PolarHBondContact OD1-N 2.85Å; E282-F286 WeakPolarHBondContact O-CB 3.42Å; E282-F286 PolarHBondContact O-N 3.32Å |
| 283 | M | 68.7 | Low | 72.4 | Confident | 70 Ų | 70 | 97.9 Ų | 97.9 | 35% | 0.345 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.1 | -44.1 | 173.5 | -68.4 | -122.3 | -69.5 | 0 | 0 | 112.1 | L276 I277 D280 N285 F286 F287 | L276-M283 HydrophobicContact CB-CE 4.22Å; I277-M283 HydrophobicContact CG1-CE 3.84Å; I277-M283 HydrophobicContact CG2-CB 4.4Å; D280-M283 HydrophobicContact CB-CB 4.07Å; D280-M283 HydrophobicContact CB-CG 4.03Å; D280-M283 WeakPolarHBondContact O-CA 3.24Å; D280-M283 WeakPolarHBondContact O-CB 3.41Å; D280-M283 PolarHBondContact O-N 3.39Å; M283-N285 PolarHBondContact O-N 2.95Å; M283-F286 PolarHBondContact O-N 3.18Å; M283-F286 VanDerWaalsContact O-N 3.14Å; M283-F287 WeakPolarHBondContact O-CD2 3.46Å; M283-F287 PolarHBondContact O-N 3.36Å |
| 284 | E | 74.5 | Confident | 70.3 | Confident | 90 Ų | 90 | 100.1 Ų | 100.1 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58 | -48.1 | 176.9 | -159 | -153 | 158 | 0 | 0 | 111.1 | D280 F286 F287 N288 | D280-E284 PolarHBondContact O-N 3.03Å; E284-F286 VanDerWaalsContact C-N 3.32Å; E284-F286 PolarHBondContact O-N 3.14Å; E284-F287 PolarHBondContact O-N 2.95Å; E284-N288 VanDerWaalsContact O-CB 3.31Å; E284-N288 WeakPolarHBondContact O-CB 3.36Å; E284-N288 PolarHBondContact O-N 3.46Å; E284-N288 PolarHBondContact O-ND2 3.5Å; E284-N288 PolarHBondContact OE1-ND2 2.96Å |
| 285 | N | 73.6 | Confident | 68.1 | Low | 110 Ų | 110 | 100.9 Ų | 100.9 | 59% | 0.588 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.7 | -36.8 | 175.7 | -82.3 | -71.1 | 0 | 0 | 0 | 112.5 | P281 M283 A289 | P281-N285 WeakPolarHBondContact O-CB 3.47Å; P281-N285 PolarHBondContact O-N 3.2Å; P281-N285 VanDerWaalsContact O-N 3.15Å; P281-N285 PolarHBondContact O-ND2 2.87Å; M283-N285 PolarHBondContact O-N 2.95Å; N285-A289 VanDerWaalsContact O-CB 3.26Å; N285-A289 WeakPolarHBondContact O-CB 3.15Å; N285-A289 PolarHBondContact O-N 2.98Å |
| 286 | F | 72.1 | Confident | 65.9 | Low | 127 Ų | 127 | 98 Ų | 98 | 56% | 0.557 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.1 | -46.4 | 175.5 | -179.9 | -99.3 | 0 | 0 | 0 | 112.2 | E282 M283 E284 A289 V290 | E282-F286 WeakPolarHBondContact O-CB 3.42Å; E282-F286 PolarHBondContact O-N 3.32Å; M283-F286 PolarHBondContact O-N 3.18Å; M283-F286 VanDerWaalsContact O-N 3.14Å; E284-F286 VanDerWaalsContact C-N 3.32Å; E284-F286 PolarHBondContact O-N 3.14Å; F286-A289 PolarHBondContact O-N 3.41Å; F286-V290 HydrophobicContact CD1-CG2 4.3Å; F286-V290 HydrophobicContact CD2-CG2 4.37Å; F286-V290 HydrophobicContact CE1-CG2 3.92Å; F286-V290 HydrophobicContact CE2-CG2 3.99Å; F286-V290 HydrophobicContact CZ-CG2 3.75Å; F286-V290 WeakPolarHBondContact O-CB 3.26Å; F286-V290 VanDerWaalsContact O-CG2 3.26Å; F286-V290 WeakPolarHBondContact O-CG2 3.42Å; F286-V290 PolarHBondContact O-N 3.01Å |
| 287 | F | 66 | Low | 63.8 | Low | 81 Ų | 81 | 101.4 Ų | 101.4 | 36% | 0.355 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.6 | -39.9 | 178.5 | -88.1 | -89.7 | 0 | 0 | 0 | 112.3 | I277 M283 E284 A289 V290 | I277-F287 HydrophobicContact CD1-CD1 4.22Å; I277-F287 HydrophobicContact CD1-CD2 3.71Å; I277-F287 HydrophobicContact CD1-CE1 4.02Å; I277-F287 HydrophobicContact CD1-CE2 3.49Å; I277-F287 VanDerWaalsContact CD1-CE2 3.49Å; I277-F287 HydrophobicContact CD1-CG 4.08Å; I277-F287 HydrophobicContact CD1-CZ 3.65Å; I277-F287 HydrophobicContact CG1-CD2 3.85Å; I277-F287 HydrophobicContact CG1-CE2 3.76Å; I277-F287 HydrophobicContact CG1-CZ 4.4Å; I277-F287 HydrophobicContact CG2-CB 4.25Å; I277-F287 HydrophobicContact CG2-CD2 3.98Å; I277-F287 HydrophobicContact CG2-CG 4.27Å; M283-F287 WeakPolarHBondContact O-CD2 3.46Å; M283-F287 PolarHBondContact O-N 3.36Å; E284-F287 PolarHBondContact O-N 2.95Å; F287-A289 VanDerWaalsContact C-N 3.3Å; F287-A289 PolarHBondContact O-N 3.16Å; F287-V290 CarbonylContact O-C 3.48Å; F287-V290 PolarHBondContact O-N 3.35Å; F287-V290 VanDerWaalsContact O-N 3.16Å |
| 288 | N | 69.4 | Low | 61.6 | Low | 105 Ų | 105 | 104.8 Ų | 104.8 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.1 | -31.2 | 173.9 | -74.3 | -29.3 | 0 | 0 | 0 | 112.7 | E284 | E284-N288 VanDerWaalsContact O-CB 3.31Å; E284-N288 WeakPolarHBondContact O-CB 3.36Å; E284-N288 PolarHBondContact O-N 3.46Å; E284-N288 PolarHBondContact O-ND2 3.5Å; E284-N288 PolarHBondContact OE1-ND2 2.96Å |
| 289 | A | 68.2 | Low | 59.3 | Low | 73 Ų | 73 | 105.6 Ų | 105.6 | 60% | 0.603 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75 | -32.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | N285 F286 F287 T291 | N285-A289 VanDerWaalsContact O-CB 3.26Å; N285-A289 WeakPolarHBondContact O-CB 3.15Å; N285-A289 PolarHBondContact O-N 2.98Å; F286-A289 PolarHBondContact O-N 3.41Å; F287-A289 VanDerWaalsContact C-N 3.3Å; F287-A289 PolarHBondContact O-N 3.16Å; A289-T291 PolarHBondContact O-N 3.19Å |
| 290 | V | 63.6 | Low | 57 | Low | 54 Ų | 54 | 110.7 Ų | 110.7 | 33% | 0.327 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -82.2 | 71.3 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | F286 F287 I292 | F286-V290 HydrophobicContact CD1-CG2 4.3Å; F286-V290 HydrophobicContact CD2-CG2 4.37Å; F286-V290 HydrophobicContact CE1-CG2 3.92Å; F286-V290 HydrophobicContact CE2-CG2 3.99Å; F286-V290 HydrophobicContact CZ-CG2 3.75Å; F286-V290 WeakPolarHBondContact O-CB 3.26Å; F286-V290 VanDerWaalsContact O-CG2 3.26Å; F286-V290 WeakPolarHBondContact O-CG2 3.42Å; F286-V290 PolarHBondContact O-N 3.01Å; F287-V290 CarbonylContact O-C 3.48Å; F287-V290 PolarHBondContact O-N 3.35Å; F287-V290 VanDerWaalsContact O-N 3.16Å; V290-I292 VanDerWaalsContact C-N 3.31Å; V290-I292 HydrophobicContact CG1-CD1 4.34Å; V290-I292 HydrophobicContact CG1-CG1 3.87Å; V290-I292 PolarHBondContact O-N 2.86Å |
| 291 | T | 50.4 | Low | 54.8 | Low | 115 Ų | 115 | 117.2 Ų | 117.2 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | trans | -66.1 | 83 | 172.8 | 43.3 | 0 | 0 | 0 | 0 | 111.7 | A289 S293 | A289-T291 PolarHBondContact O-N 3.19Å; T291-S293 VanDerWaalsContact C-N 3.27Å; T291-S293 PolarHBondContact O-N 3.24Å | ||
| 292 | I | 50.7 | Low | 53 | Low | 110 Ų | 110 | 121.7 Ų | 121.7 | 56% | 0.564 | 65% | 0.652 | S | S | * | * | trans | -72 | 85.3 | 169.7 | -49.2 | -176.6 | 0 | 0 | 0 | 108.3 | V290 P294 | V290-I292 VanDerWaalsContact C-N 3.31Å; V290-I292 HydrophobicContact CG1-CD1 4.34Å; V290-I292 HydrophobicContact CG1-CG1 3.87Å; V290-I292 PolarHBondContact O-N 2.86Å; I292-P294 WeakPolarHBondContact O-CD 3.5Å | ||
| 293 | S | 38.4 | Very low | 51 | Low | 77 Ų | 77 | 118.5 Ų | 118.5 | 54% | 0.538 | 65% | 0.648 | S | S | . | * | trans | -50.8 | 120.9 | 174.5 | -61 | 0 | 0 | 0 | 0 | 110.5 | T291 T295 | T291-S293 VanDerWaalsContact C-N 3.27Å; T291-S293 PolarHBondContact O-N 3.24Å; S293-T295 PolarHBondContact O-N 2.94Å | ||
| 294 | P | 42.9 | Very low | 49.6 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 89% | 0.89 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -67.3 | 21.7 | -174.3 | -24.8 | 35.7 | 0 | 0 | 0 | 116.6 | I292 | I292-P294 WeakPolarHBondContact O-CD 3.5Š|
| 295 | T | 39.1 | Very low | 47.6 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 64% | 0.644 | 69% | 0.692 | S | S | * | * | trans | -123.5 | 14.1 | -150.4 | -20.1 | 0 | 0 | 0 | 0 | 114.3 | S293 | S293-T295 PolarHBondContact O-N 2.94Š| ||
| 296 | S | 40.5 | Very low | 46 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -110.5 | -0.1 | -170 | 57.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 297 | L | 40.4 | Very low | 44.1 | Very low | 174 Ų | 174 | 129 Ų | 129 | 91% | 0.911 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -103.6 | 6 | 177 | -66.5 | 178.6 | 0 | 0 | 0 | 114.4 | ||
| 298 | S | 35.8 | Very low | 42.7 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -87.8 | 104.6 | 173 | 45.8 | 0 | 0 | 0 | 0 | 112.1 | K300 | S298-K300 PolarHBondContact O-N 2.97Å; S298-K300 VanDerWaalsContact O-N 3.15Å |
| 299 | L | 34 | Very low | 41.1 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 90% | 0.895 | 74% | 0.741 | S | S | * | * | trans | 21.8 | 78.4 | 154.5 | -70.8 | 165.8 | 0 | 0 | 0 | 116.8 | K301 | L299-K301 VanDerWaalsContact C-N 3.26Å; L299-K301 PolarHBondContact O-N 3.27Å | ||
| 300 | K | 35.3 | Very low | 39.8 | Very low | 215 Ų | 215 | 136 Ų | 136 | 94% | 0.935 | 75% | 0.754 | S | S | * | * | trans | -77.3 | 75.2 | 175.6 | -152.5 | 170.5 | -167.7 | 175 | 0 | 112 | S298 | S298-K300 PolarHBondContact O-N 2.97Å; S298-K300 VanDerWaalsContact O-N 3.15Å | ||
| 301 | K | 35.9 | Very low | 38.6 | Very low | 204 Ų | 204 | 140.6 Ų | 140.6 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -60.8 | 150.3 | 169.2 | -165.1 | 170.3 | -179 | 177.1 | 0 | 109.9 | L299 | L299-K301 VanDerWaalsContact C-N 3.26Å; L299-K301 PolarHBondContact O-N 3.27Å | ||
| 302 | Q | 36.9 | Very low | 37.9 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -77.8 | 129.2 | -157.5 | -165.4 | 169 | -10.1 | 0 | 0 | 114.2 | ||||
| 303 | S | 34.5 | Very low | 37.4 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 42.8 | 117.7 | 158.3 | 62.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 304 | Q | 38.8 | Very low | 37.4 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -130.6 | 143.5 | 140.1 | -135.8 | 177.3 | 9.4 | 0 | 0 | 109 | ||||
| 305 | I | 33.4 | Very low | 37 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | trans | -108.3 | 122.2 | -174.9 | -60.7 | 167.6 | 0 | 0 | 0 | 108.3 | ||||
| 306 | V | 39.3 | Very low | 37 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -142.7 | 135.5 | 165.8 | -171.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 307 | N | 32.2 | Very low | 36.7 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -103.7 | 175.7 | 176.9 | -85.3 | -28.3 | 0 | 0 | 0 | 111.5 | ||||
| 308 | S | 36.6 | Very low | 36.4 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 80.1 | 103.1 | 161.4 | 66.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 309 | S | 36 | Very low | 36.2 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | 46.9 | 109.9 | 111.6 | -46.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 310 | Q | 40.3 | Very low | 36.2 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | -171.9 | 122.1 | 124.6 | -99.6 | 163.3 | 18.8 | 0 | 0 | 108.8 | |||||
| 311 | I | 39 | Very low | 36.2 | Very low | 150 Ų | 150 | 151 Ų | 151 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | 77.2 | 95.6 | 81.6 | -66 | 178 | 0 | 0 | 0 | 114.1 | |||||
| 312 | S | 36.7 | Very low | 36.1 | Very low | 95 Ų | 95 | 146.4 Ų | 146.4 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | trans | 41.7 | 120.9 | 145.8 | 68 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 313 | S | 39.6 | Very low | 35.9 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | 83.8 | 153.7 | 127.5 | -61.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 314 | P | 38.4 | Very low | 36.2 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -125.6 | 156.3 | -150.6 | 40 | -24.8 | 0 | 0 | 0 | 116.4 | ||||
| 315 | A | 35.1 | Very low | 35.8 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -148.5 | 153.7 | 162 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 316 | K | 38.9 | Very low | 35.8 | Very low | 177 Ų | 177 | 146 Ų | 146 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -74.9 | 179 | -170.7 | -62.2 | 169.9 | 176.5 | 177 | 0 | 114.3 | ||||
| 317 | Y | 33 | Very low | 35.6 | Very low | 220 Ų | 220 | 147.1 Ų | 147.1 | 86% | 0.863 | 81% | 0.807 | S | S | * | * | trans | 80.3 | 141.2 | 169.1 | -50.4 | -75.1 | 0 | 0 | 0 | 115.8 | ||||
| 318 | A | 35.3 | Very low | 35.8 | Very low | 82 Ų | 82 | 144.7 Ų | 144.7 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | cis | -161.1 | 158.7 | -20.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 319 | N | 30.4 | Very low | 35.8 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | 19.4 | 99.5 | 162.1 | -66.3 | -0.5 | 0 | 0 | 0 | 119.1 | ||||
| 320 | Y | 34.3 | Very low | 36 | Very low | 247 Ų | 247 | 147.7 Ų | 147.7 | 97% | 0.969 | 80% | 0.797 | S | S | * | * | trans | -156.3 | 97.2 | 131.5 | -88.4 | -64.5 | 0 | 0 | 0 | 109.3 | ||||
| 321 | Q | 35.3 | Very low | 36.1 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -129.5 | 114.6 | 165.7 | -154.6 | 160.4 | 15.4 | 0 | 0 | 108.3 | ||||
| 322 | S | 34.9 | Very low | 36.2 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 145.8 | -171.6 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | Q324 | S322-Q324 PolarHBondContact O-N 2.94Š| ||
| 323 | T | 31.8 | Very low | 36.5 | Very low | 132 Ų | 132 | 149 Ų | 149 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -57.4 | 118.6 | 167.8 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 324 | Q | 40.1 | Very low | 36.5 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -129.4 | 124 | 153.7 | -76.7 | -157.7 | -25.9 | 0 | 0 | 110 | S322 | S322-Q324 PolarHBondContact O-N 2.94Š| ||
| 325 | N | 32.3 | Very low | 36.5 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 50.7 | 72 | 153.5 | -56.2 | -0.3 | 0 | 0 | 0 | 117.1 | L327 | N325-L327 PolarHBondContact O-N 2.89Š| ||
| 326 | N | 31.5 | Very low | 36.6 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -65.7 | 90.3 | 141.2 | -78.4 | -25.7 | 0 | 0 | 0 | 108.6 | ||||
| 327 | L | 35.9 | Very low | 36.3 | Very low | 153 Ų | 153 | 154.3 Ų | 154.3 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | trans | -113.4 | 121 | 151.7 | -86.6 | 167.9 | 0 | 0 | 0 | 106.6 | N325 | N325-L327 PolarHBondContact O-N 2.89Š| ||
| 328 | S | 36.9 | Very low | 36.3 | Very low | 91 Ų | 91 | 152.7 Ų | 152.7 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -67.1 | 134.1 | 179.1 | 49.7 | 0 | 0 | 0 | 0 | 110.8 | M330 | S328-M330 PolarHBondContact O-N 3.32Š| ||
| 329 | D | 36.4 | Very low | 36.3 | Very low | 177 Ų | 177 | 156.7 Ų | 156.7 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -63.2 | 86 | 161.5 | -71.7 | -49.4 | 0 | 0 | 0 | 109.3 | ||
| 330 | M | 40.6 | Very low | 36.4 | Very low | 108 Ų | 108 | 160.6 Ų | 160.6 | 53% | 0.532 | 79% | 0.794 | S | S | . | * | trans | -127.9 | 19.8 | 179.9 | -139.6 | -157 | 84.3 | 0 | 0 | 111.5 | S328 R334 | S328-M330 PolarHBondContact O-N 3.32Å; M330-R334 PolarHBondContact O-NH2 2.98Å | ||
| 331 | E | 42 | Very low | 36.4 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 54% | 0.542 | 78% | 0.781 | S | S | . | * | S | Bend | trans | -98.3 | -37.8 | -174.5 | -129.9 | 56.8 | -113 | 0 | 0 | 111.8 | Q333 R334 | E331-Q333 PolarHBondContact O-N 3.5Å; E331-R334 VanDerWaalsContact CD-NH2 3.35Å; E331-R334 WeakPolarHBondContact O-CB 3.43Å; E331-R334 PolarHBondContact O-N 2.91Å; E331-R334 IonicContact OE1-CZ 3.78Å; E331-R334 IonicContact OE1-NE 3.27Å; E331-R334 PolarHBondContact OE1-NE 3.42Å; E331-R334 IonicContact OE1-NH2 3.55Å; E331-R334 PolarHBondContact OE1-NH2 2.7Å; E331-R334 IonicContact OE2-NH2 2.69Å; E331-R334 PolarHBondContact OE2-NH2 3.28Å |
| 332 | D | 42.1 | Very low | 36 | Very low | 167 Ų | 167 | 149 Ų | 149 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -1.5 | -177.2 | -84.7 | -5.4 | 0 | 0 | 0 | 115 | ||
| 333 | Q | 42.6 | Very low | 36.1 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -0.2 | 169.9 | -64.6 | -174.1 | 15 | 0 | 0 | 113.3 | E331 | E331-Q333 PolarHBondContact O-N 3.5Š|
| 334 | R | 39 | Very low | 36 | Very low | 146 Ų | 146 | 152.6 Ų | 152.6 | 55% | 0.551 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -91.6 | -9.9 | -171.4 | -130.3 | -172.1 | -64.6 | -85.5 | 7.8 | 115.5 | M330 E331 | M330-R334 PolarHBondContact O-NH2 2.98Å; E331-R334 VanDerWaalsContact CD-NH2 3.35Å; E331-R334 WeakPolarHBondContact O-CB 3.43Å; E331-R334 PolarHBondContact O-N 2.91Å; E331-R334 IonicContact OE1-CZ 3.78Å; E331-R334 IonicContact OE1-NE 3.27Å; E331-R334 PolarHBondContact OE1-NE 3.42Å; E331-R334 IonicContact OE1-NH2 3.55Å; E331-R334 PolarHBondContact OE1-NH2 2.7Å; E331-R334 IonicContact OE2-NH2 2.69Å; E331-R334 PolarHBondContact OE2-NH2 3.28Å |
| 335 | I | 38.2 | Very low | 35.8 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -107.8 | -12.1 | -176.1 | -61.3 | -179.7 | 0 | 0 | 0 | 112.8 | H337 | I335-H337 VanDerWaalsContact C-N 3.33Å; I335-H337 PolarHBondContact O-N 2.74Å |
| 336 | L | 37.7 | Very low | 36 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 29.1 | -176.6 | -125 | 172.2 | 0 | 0 | 0 | 113.9 | ||
| 337 | H | 32.6 | Very low | 36 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | 22 | -170.9 | -145.6 | -65.3 | 0 | 0 | 0 | 116.1 | I335 | I335-H337 VanDerWaalsContact C-N 3.33Å; I335-H337 PolarHBondContact O-N 2.74Å |
| 338 | E | 33 | Very low | 36 | Very low | 186 Ų | 186 | 150 Ų | 150 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -126.4 | 37.5 | 177.7 | -154.6 | 168.2 | -158.1 | 0 | 0 | 115.2 | ||
| 339 | I | 35.6 | Very low | 35.9 | Very low | 166 Ų | 166 | 151.2 Ų | 151.2 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -129 | 79.1 | 150 | -54 | -178.9 | 0 | 0 | 0 | 107.6 | S341 | I339-S341 PolarHBondContact O-N 3.06Š| ||
| 340 | R | 32 | Very low | 35.8 | Very low | 233 Ų | 233 | 149.3 Ų | 149.3 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -74.5 | 112.7 | 174.9 | -172.8 | 175.2 | -175.7 | 171.5 | 2.4 | 109.3 | S342 | R340-S342 PolarHBondContact O-N 3.33Š| ||
| 341 | S | 33.4 | Very low | 35.6 | Very low | 99 Ų | 99 | 148.8 Ų | 148.8 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -46.4 | 134.7 | 176.8 | -41.2 | 0 | 0 | 0 | 0 | 112.5 | I339 P343 | I339-S341 PolarHBondContact O-N 3.06Å; S341-P343 VanDerWaalsContact O-CD 3.29Å; S341-P343 WeakPolarHBondContact O-CD 3.38Å | ||
| 342 | S | 28 | Very low | 35.4 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -69.5 | 118.4 | 166.8 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | R340 F344 | R340-S342 PolarHBondContact O-N 3.33Å; S342-F344 PolarHBondContact O-N 2.62Å | ||
| 343 | P | 36.3 | Very low | 35.1 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -95.1 | 88.3 | 176.5 | 34.5 | -24.9 | 0 | 0 | 0 | 109.4 | S341 S345 | S341-P343 VanDerWaalsContact O-CD 3.29Å; S341-P343 WeakPolarHBondContact O-CD 3.38Å; P343-S345 PolarHBondContact O-N 3.44Å; P343-S345 VanDerWaalsContact O-N 3.14Å | ||
| 344 | F | 30.7 | Very low | 34.9 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | trans | -70.2 | 104.4 | 158.6 | -100.1 | -84.9 | 0 | 0 | 0 | 107.9 | S342 | S342-F344 PolarHBondContact O-N 2.62Š| ||
| 345 | S | 36 | Very low | 34.7 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -146.3 | 138.6 | 171.2 | -71.6 | 0 | 0 | 0 | 0 | 110.1 | P343 | P343-S345 PolarHBondContact O-N 3.44Å; P343-S345 VanDerWaalsContact O-N 3.14Å | ||
| 346 | T | 35.1 | Very low | 34.5 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -57.3 | 159.8 | -164 | -30.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 347 | E | 32.5 | Very low | 34.5 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -28.2 | 137.9 | 162 | -55.7 | 163 | 125.7 | 0 | 0 | 114.9 | ||||
| 348 | E | 35.7 | Very low | 34.7 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | -168.9 | 138.6 | 106.4 | -102.5 | -160.9 | -146.4 | 0 | 0 | 114.4 | |||||
| 349 | N | 35.4 | Very low | 35 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | trans | 47 | 119 | 140.1 | -66.3 | -42.3 | 0 | 0 | 0 | 123.4 | ||||
| 350 | N | 34.1 | Very low | 34.9 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 78.8 | 100.6 | 133.8 | -70.6 | -39 | 0 | 0 | 0 | 122.6 | ||||
| 351 | S | 35.2 | Very low | 35 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | 89.2 | 130.2 | 113.6 | -71.8 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 352 | Q | 38.6 | Very low | 34.8 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | 69.8 | 149.1 | 162.1 | -59.8 | 178.2 | 26.5 | 0 | 0 | 117.7 | ||||
| 353 | K | 34.7 | Very low | 35.2 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | cis | 169.7 | 118.5 | -30.4 | 163.7 | -173.6 | 174.2 | -171.9 | 0 | 106 | ||||
| 354 | L | 38.8 | Very low | 35 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | 164 | 112.9 | 160.3 | -90.1 | 155.5 | 0 | 0 | 0 | 105.3 | ||||
| 355 | A | 35.1 | Very low | 35.1 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | 60.7 | 121.8 | 78.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 356 | S | 33.5 | Very low | 34.8 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | cis | -147.1 | 168.3 | 22.2 | -71.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 357 | P | 37.3 | Very low | 34.8 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -107.9 | 165.6 | -165.3 | 40.1 | -34.7 | 0 | 0 | 0 | 116.1 | ||||
| 358 | S | 38.7 | Very low | 34.8 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -143.3 | 100.1 | 165.7 | 63.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 359 | I | 39.3 | Very low | 34.6 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 60.6 | 113.7 | 132.4 | -59 | 170.7 | 0 | 0 | 0 | 119.4 | ||||
| 360 | N | 33.6 | Very low | 34.4 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | trans | 65.3 | 142.4 | 153.2 | -63 | -21.4 | 0 | 0 | 0 | 119.1 | ||||
| 361 | K | 34 | Very low | 34.4 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | cis | -153.6 | 123.5 | -7.9 | -114.9 | 166.9 | -173.3 | 178 | 0 | 108.1 | ||||
| 362 | S | 29.1 | Very low | 34.2 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -134.2 | 142.8 | 165.8 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 363 | M | 35.7 | Very low | 34 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 67% | 0.665 | 78% | 0.779 | S | S | * | * | trans | -125.2 | 132 | -169.4 | -85 | -66.8 | -116.3 | 0 | 0 | 112.3 | ||||
| 364 | Y | 33.1 | Very low | 33.9 | Very low | 208 Ų | 208 | 138 Ų | 138 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | 67.9 | 95.4 | 170.5 | -55.5 | -64.6 | 0 | 0 | 0 | 118.2 | ||||
| 365 | S | 30.9 | Very low | 33.7 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -134.3 | 137.5 | 144.3 | -162 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 366 | R | 31.3 | Very low | 33.5 | Very low | 223 Ų | 223 | 138.5 Ų | 138.5 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | 55.9 | 115 | 167.7 | -59.1 | 174.5 | -174.3 | -174.2 | 0.5 | 118.7 | ||||
| 367 | V | 33.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | trans | -127.7 | 135.3 | 131.4 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 368 | S | 33.3 | Very low | 33.2 | Very low | 90 Ų | 90 | 141.4 Ų | 141.4 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -109.2 | 155.4 | 176 | -50 | 0 | 0 | 0 | 0 | 110 | ||||
| 369 | N | 30.8 | Very low | 32.9 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | 62.7 | 112 | 167.7 | -51.6 | -7.3 | 0 | 0 | 0 | 116.3 | ||||
| 370 | S | 31.8 | Very low | 32.6 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | -170.6 | 162.2 | 96.2 | -158.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 371 | S | 34.2 | Very low | 32.8 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 60% | 0.601 | 77% | 0.774 | S | S | * | * | trans | -48.8 | 151.7 | -176.1 | -173.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 372 | N | 31.6 | Very low | 32.8 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 81.5 | 152.8 | 147.9 | -76.5 | -8.5 | 0 | 0 | 0 | 122.5 | ||||
| 373 | N | 34.3 | Very low | 32.8 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 77.3 | 83.7 | 162.3 | -61.2 | -13.1 | 0 | 0 | 0 | 119.4 | ||||
| 374 | N | 33.2 | Very low | 32.7 | Very low | 144 Ų | 144 | 149 Ų | 149 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | 33.3 | 131.4 | 122.6 | -60.3 | -6.7 | 0 | 0 | 0 | 121 | |||||
| 375 | N | 33 | Very low | 32.8 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | 79.8 | 146 | 154.2 | -59.7 | -13.5 | 0 | 0 | 0 | 119.3 | ||||
| 376 | S | 31.2 | Very low | 33 | Very low | 109 Ų | 109 | 151.6 Ų | 151.6 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 61.7 | 72.6 | 166.2 | -59.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 377 | Y | 31.3 | Very low | 33 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -133.8 | 52.4 | 156.6 | -96.7 | -81.9 | 0 | 0 | 0 | 113 | R380 | Y377-R380 VanDerWaalsContact CE1-NH2 3.29Å; Y377-R380 PolarHBondContact OH-NH2 3.39Å | ||
| 378 | T | 33.2 | Very low | 33 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -81 | 167.2 | 142.5 | 49.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 379 | S | 31.6 | Very low | 33 | Very low | 114 Ų | 114 | 153.8 Ų | 153.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 64.3 | 75.4 | 174.2 | -54.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 380 | R | 33.8 | Very low | 32.9 | Very low | 187 Ų | 187 | 156.3 Ų | 156.3 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -155.1 | 26 | 150.8 | -139.9 | 177 | -70.5 | 172.1 | 3.7 | 118 | Y377 | Y377-R380 VanDerWaalsContact CE1-NH2 3.29Å; Y377-R380 PolarHBondContact OH-NH2 3.39Å | ||
| 381 | I | 38.9 | Very low | 32.9 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -105.1 | -34.2 | 176.9 | -67.1 | -179.5 | 0 | 0 | 0 | 112.8 | S383 | I381-S383 PolarHBondContact O-N 3.24Š|
| 382 | Y | 32.2 | Very low | 32.8 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -83.6 | 90.4 | 174 | -68.6 | -67.9 | 0 | 0 | 0 | 112.5 | ||||
| 383 | S | 31 | Very low | 32.9 | Very low | 108 Ų | 108 | 159 Ų | 159 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -155.5 | 50.9 | 171.5 | -73.2 | 0 | 0 | 0 | 0 | 113.5 | I381 | I381-S383 PolarHBondContact O-N 3.24Š| ||
| 384 | R | 31.7 | Very low | 32.9 | Very low | 246 Ų | 246 | 161.2 Ų | 161.2 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -146.9 | 28.3 | 168.7 | -145 | -176.5 | -173.8 | -174.3 | 1.2 | 115.9 | ||
| 385 | L | 36.8 | Very low | 32.9 | Very low | 174 Ų | 174 | 161.3 Ų | 161.3 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -150.4 | 24.9 | 175.7 | -116.5 | 172 | 0 | 0 | 0 | 115.5 | ||
| 386 | Q | 34.1 | Very low | 33 | Very low | 194 Ų | 194 | 161.4 Ų | 161.4 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | -137.2 | 114.7 | 163.3 | -73.9 | -166.2 | -6.2 | 0 | 0 | 109.8 | ||||
| 387 | N | 32.5 | Very low | 32.9 | Very low | 152 Ų | 152 | 163.1 Ų | 163.1 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -152.7 | 35.6 | 170.6 | -158.3 | 63.3 | 0 | 0 | 0 | 111.5 | ||||
| 388 | E | 32.3 | Very low | 33.2 | Very low | 180 Ų | 180 | 162.2 Ų | 162.2 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -101.9 | 91.9 | 168.1 | -83.1 | -67 | 141.7 | 0 | 0 | 107.4 | Y390 | E388-Y390 PolarHBondContact O-N 3.14Š| ||
| 389 | Q | 33.5 | Very low | 33 | Very low | 176 Ų | 176 | 163.6 Ų | 163.6 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -80.8 | 100.9 | -174.1 | -177.1 | 176.9 | -13.3 | 0 | 0 | 109.7 | N391 | Q389-N391 PolarHBondContact O-N 2.98Š| ||
| 390 | Y | 29.3 | Very low | 33.2 | Very low | 212 Ų | 212 | 163.1 Ų | 163.1 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -53.4 | 104.3 | 175.3 | -91.2 | -90.1 | 0 | 0 | 0 | 111.3 | E388 | E388-Y390 PolarHBondContact O-N 3.14Š| ||
| 391 | N | 31.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 163 Ų | 163 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | -117.2 | 74.5 | 173.6 | -164.2 | 18.2 | 0 | 0 | 0 | 109.3 | Q389 N393 | Q389-N391 PolarHBondContact O-N 2.98Å; N391-N393 PolarHBondContact O-N 3.37Å | ||
| 392 | N | 31.6 | Very low | 32.8 | Very low | 129 Ų | 129 | 165 Ų | 165 | 69% | 0.69 | 81% | 0.81 | S | S | * | * | trans | -66.6 | 110.6 | 174 | -73.4 | -30 | 0 | 0 | 0 | 109.7 | ||||
| 393 | N | 34.9 | Very low | 33.1 | Very low | 138 Ų | 138 | 162.5 Ų | 162.5 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | -166.4 | 155 | 150.2 | -103.5 | -40.3 | 0 | 0 | 0 | 112.8 | N391 | N391-N393 PolarHBondContact O-N 3.37Š| ||
| 394 | F | 33.7 | Very low | 33.1 | Very low | 187 Ų | 187 | 169.1 Ų | 169.1 | 82% | 0.82 | 82% | 0.824 | S | S | * | * | trans | 63.6 | 95.8 | 176.7 | -65.3 | -72.9 | 0 | 0 | 0 | 117.9 | ||||
| 395 | N | 32.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 160.6 Ų | 160.6 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -53.4 | 139.5 | 134.2 | -60 | -33.2 | 0 | 0 | 0 | 109.2 | ||||
| 396 | N | 34.8 | Very low | 33.1 | Very low | 152 Ų | 152 | 159.4 Ų | 159.4 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | -169.2 | 156.4 | 117 | -91.7 | -12.7 | 0 | 0 | 0 | 109.7 | |||||
| 397 | D | 30.2 | Very low | 33.3 | Very low | 146 Ų | 146 | 157.7 Ų | 157.7 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -64.3 | 150.7 | 175.6 | -44.1 | -93.3 | 0 | 0 | 0 | 111.8 | ||||
| 398 | I | 36.9 | Very low | 33.3 | Very low | 165 Ų | 165 | 158.4 Ų | 158.4 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | -180 | 145.7 | 122.2 | -92.9 | 154.5 | 0 | 0 | 0 | 109.9 | |||||
| 399 | D | 29.3 | Very low | 33.6 | Very low | 152 Ų | 152 | 156 Ų | 156 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -64.7 | 179.6 | 175.2 | -73.7 | -72.8 | 0 | 0 | 0 | 114.3 | ||||
| 400 | S | 36.1 | Very low | 33.6 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 110.1 | 114 | 156.5 | 73.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 401 | E | 35.5 | Very low | 34.2 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 56.1 | 108.4 | 136.9 | -56.3 | -166.9 | 121.5 | 0 | 0 | 121.6 | ||||
| 402 | F | 28.7 | Very low | 34.4 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | trans | -52 | 146.1 | 148.8 | -81.5 | -89.8 | 0 | 0 | 0 | 111.6 | ||||
| 403 | P | 37.4 | Very low | 34.7 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | -142.8 | 132.6 | 103.6 | 34.4 | -19.9 | 0 | 0 | 0 | 116.8 | |||||
| 404 | R | 31.6 | Very low | 35.3 | Very low | 247 Ų | 247 | 148.2 Ų | 148.2 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | 16 | 132.1 | 144.4 | -47.3 | 174.4 | -163.8 | -103.9 | 0.6 | 120 | ||||
| 405 | G | 31.3 | Very low | 35.4 | Very low | 66 Ų | 66 | 147.9 Ų | 147.9 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | 176 | 143.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 406 | I | 37.1 | Very low | 35.4 | Very low | 150 Ų | 150 | 146 Ų | 146 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | 67.9 | 94.1 | 161.2 | -55.1 | 167.2 | 0 | 0 | 0 | 114.1 | ||||
| 407 | Q | 38 | Very low | 35.4 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | 71 | 138.8 | 87.4 | -69.8 | 169.9 | 25.6 | 0 | 0 | 114.4 | |||||
| 408 | Q | 32.9 | Very low | 35.6 | Very low | 168 Ų | 168 | 145 Ų | 145 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | cis | -165 | 170.2 | -9.4 | -123.7 | 174.5 | 4.2 | 0 | 0 | 110.4 | ||||
| 409 | S | 38.8 | Very low | 35.3 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | 69.8 | 129.9 | 172.2 | 73.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 410 | G | 34.5 | Very low | 35.6 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | cis | 178.7 | 160.6 | -11.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 411 | L | 41.6 | Very low | 35.4 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | 58.5 | 85.9 | 168.1 | -46.4 | -179.4 | 0 | 0 | 0 | 114.1 | ||||
| 412 | D | 35.6 | Very low | 35.4 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | cis | 65.3 | 121.2 | 38.5 | -131.4 | -3.5 | 0 | 0 | 0 | 113.4 | ||||
| 413 | S | 36.9 | Very low | 35.6 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 138.1 | -162.6 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | Q415 | S413-Q415 PolarHBondContact O-N 3.43Š|
| 414 | P | 47.8 | Very low | 35.5 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 118.4 | 165.3 | 29.5 | -31.9 | 0 | 0 | 0 | 110.2 | ||
| 415 | Q | 36.3 | Very low | 35.8 | Very low | 180 Ų | 180 | 128.4 Ų | 128.4 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 142.3 | 166.8 | -76.5 | 176.2 | -122.7 | 0 | 0 | 111.1 | S413 D417 | S413-Q415 PolarHBondContact O-N 3.43Å; Q415-D417 PolarHBondContact O-N 3.28Å |
| 416 | S | 32.6 | Very low | 36 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 30 | 86.2 | 143.8 | -52 | 0 | 0 | 0 | 0 | 118.4 | S418 | S416-S418 PolarHBondContact O-N 3.49Š| ||
| 417 | D | 34.9 | Very low | 35.9 | Very low | 164 Ų | 164 | 130 Ų | 130 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -95 | 88.6 | 161.7 | -156.2 | -9.2 | 0 | 0 | 0 | 110.8 | Q415 G419 | Q415-D417 PolarHBondContact O-N 3.28Å; D417-G419 PolarHBondContact O-N 2.94Å | ||
| 418 | S | 34.2 | Very low | 36 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -97.1 | 71.2 | -176.4 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | S416 | S416-S418 PolarHBondContact O-N 3.49Š| ||
| 419 | G | 31.4 | Very low | 36.3 | Very low | 57 Ų | 57 | 126.9 Ų | 126.9 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | trans | -169.8 | 93.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | D417 | D417-G419 PolarHBondContact O-N 2.94Š| ||
| 420 | C | 33.7 | Very low | 36.2 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -153 | 45.3 | 153.8 | -123.4 | 0 | 0 | 0 | 0 | 114.9 | L422 | C420-L422 VanDerWaalsContact C-N 3.3Å; C420-L422 PolarHBondContact O-N 2.89Å | ||
| 421 | S | 31.8 | Very low | 36.5 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -76.5 | 79.3 | 166.1 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | A423 | S421-A423 PolarHBondContact O-N 3.24Š| ||
| 422 | L | 37.1 | Very low | 36.4 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -78.7 | 112.9 | 174.5 | -78.3 | 169.8 | 0 | 0 | 0 | 110.9 | C420 | C420-L422 VanDerWaalsContact C-N 3.3Å; C420-L422 PolarHBondContact O-N 2.89Å | ||
| 423 | A | 32.7 | Very low | 36.4 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -101.7 | 176.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S421 | S421-A423 PolarHBondContact O-N 3.24Š| ||
| 424 | S | 34.7 | Very low | 36.5 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 79 | 137.5 | 171.4 | -46 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 425 | H | 37.5 | Very low | 35.9 | Very low | 179 Ų | 179 | 129 Ų | 129 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | cis | -131.6 | -170.3 | -2.3 | -58.1 | -90.9 | 0 | 0 | 0 | 108.7 | ||||
| 426 | T | 35 | Very low | 35.9 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | cis | -151.1 | 148.7 | 8.5 | 35.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 427 | T | 36 | Very low | 35.8 | Very low | 137 Ų | 137 | 128 Ų | 128 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | 60.5 | 145.3 | 153 | 52.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 428 | S | 40.3 | Very low | 35.7 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | cis | -150.7 | 149.3 | 14.1 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 429 | D | 38.4 | Very low | 35.7 | Very low | 164 Ų | 164 | 127 Ų | 127 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | 45.7 | 136 | 147.2 | -48.9 | -30.8 | 0 | 0 | 0 | 122 | ||||
| 430 | G | 37.9 | Very low | 35.6 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -172.2 | -27.3 | 176 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 431 | K | 40.4 | Very low | 35.6 | Very low | 180 Ų | 180 | 132.8 Ų | 132.8 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 65 | 137.3 | 177.2 | -81.5 | 179.2 | 150.2 | -90.6 | 0 | 120.3 | ||||
| 432 | D | 39.5 | Very low | 35.5 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 37.6 | 128.6 | 133.9 | -38.9 | -27 | 0 | 0 | 0 | 120.8 | ||||
| 433 | G | 35.8 | Very low | 35.4 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | cis | 157.1 | 161.7 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 434 | K | 38 | Very low | 35.3 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | trans | 78.7 | 95.7 | 164.3 | -58.2 | -175.2 | 178.3 | -177.9 | 0 | 121.9 | ||||
| 435 | D | 35.8 | Very low | 35.2 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | 33.2 | 138.1 | 111.4 | -41.9 | -49.1 | 0 | 0 | 0 | 122.8 | |||||
| 436 | V | 35.6 | Very low | 35 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | 162.2 | 117.2 | 111.2 | 165.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 437 | T | 30.9 | Very low | 34.9 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | 5.6 | 154.2 | 157.4 | 64.3 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 438 | N | 33.3 | Very low | 34.9 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -68.9 | 156 | 171 | -66.2 | -33.3 | 0 | 0 | 0 | 117.4 | ||||
| 439 | A | 33.8 | Very low | 34.6 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -151.1 | 122.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 440 | F | 29.8 | Very low | 34.4 | Very low | 226 Ų | 226 | 138.9 Ų | 138.9 | 99% | 0.991 | 79% | 0.794 | S | S | * | * | 83.6 | 113.9 | 71.8 | -100.5 | -70.3 | 0 | 0 | 0 | 117 | |||||
| 441 | G | 33 | Very low | 34.2 | Very low | 67 Ų | 67 | 141 Ų | 141 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 168.8 | 113.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 442 | R | 31 | Very low | 33.9 | Very low | 248 Ų | 248 | 138.6 Ų | 138.6 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | 66.5 | 133.1 | 79.1 | -95.7 | -169.6 | 176.7 | -152.9 | 1.6 | 113.2 | |||||
| 443 | V | 33.9 | Very low | 33.8 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | cis | -144.4 | 172.9 | 21.3 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 444 | T | 31.7 | Very low | 33.8 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -70.3 | -174.1 | 175.7 | 54.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 445 | A | 32.5 | Very low | 33.6 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -164.6 | 177.2 | 21 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 446 | G | 32 | Very low | 33.3 | Very low | 68 Ų | 68 | 142 Ų | 142 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 103 | 121.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 447 | V | 34.3 | Very low | 33.4 | Very low | 140 Ų | 140 | 144 Ų | 144 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | cis | 78.2 | 134.4 | 29.6 | -169.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 448 | E | 35.6 | Very low | 33.4 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | cis | -113.4 | 173.7 | 14.8 | -59.3 | 173.1 | 138.7 | 0 | 0 | 114 | ||||
| 449 | N | 32.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 65% | 0.647 | 79% | 0.785 | S | S | * | * | cis | 110 | 83.5 | -9.5 | -158.1 | 106.9 | 0 | 0 | 0 | 120.7 | ||||
| 450 | Y | 35.3 | Very low | 33.5 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -159.1 | 119 | 152.6 | -80.4 | -68.1 | 0 | 0 | 0 | 108.6 | ||||
| 451 | D | 33.7 | Very low | 33.6 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 66% | 0.658 | 79% | 0.789 | S | S | * | * | 79.1 | 143.9 | 67 | -75.8 | -32.5 | 0 | 0 | 0 | 114.4 | |||||
| 452 | N | 34.4 | Very low | 33.7 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 68% | 0.684 | 80% | 0.799 | S | S | * | * | cis | -155.8 | 158.5 | 14.9 | -151.9 | -26.1 | 0 | 0 | 0 | 113.9 | ||||
| 453 | S | 36.1 | Very low | 33.8 | Very low | 94 Ų | 94 | 150.7 Ų | 150.7 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | 66.5 | 148.4 | 146 | 75.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 454 | N | 35.7 | Very low | 33.8 | Very low | 141 Ų | 141 | 153 Ų | 153 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | cis | -160.6 | 170.8 | -15 | -117.5 | -24.9 | 0 | 0 | 0 | 114 | ||||
| 455 | N | 35.2 | Very low | 33.9 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | 72.9 | 106 | 159.2 | -67.4 | -5.8 | 0 | 0 | 0 | 120.7 | ||||
| 456 | R | 29.4 | Very low | 33.9 | Very low | 238 Ų | 238 | 155 Ų | 155 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -73 | 155.1 | 159.2 | -56.9 | 165.1 | 169.4 | 176.7 | -5.9 | 111.4 | ||||
| 457 | L | 36.8 | Very low | 33.9 | Very low | 172 Ų | 172 | 161.6 Ų | 161.6 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -153.4 | 159 | 135 | -124 | 131.7 | 0 | 0 | 0 | 111.3 | ||||
| 458 | N | 31.4 | Very low | 33.8 | Very low | 143 Ų | 143 | 160.8 Ų | 160.8 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -87.4 | 155.5 | -167.4 | -53.5 | -63.7 | 0 | 0 | 0 | 113.2 | ||||
| 459 | V | 38.3 | Very low | 33.6 | Very low | 143 Ų | 143 | 162.9 Ų | 162.9 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | -161.6 | 150.4 | 127.3 | 136.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 460 | R | 31.8 | Very low | 33.5 | Very low | 241 Ų | 241 | 165.1 Ų | 165.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -43 | 137.5 | -175.8 | -60.4 | 162.8 | 175.4 | 153.4 | -3.2 | 115.7 | ||||
| 461 | R | 31.8 | Very low | 33.6 | Very low | 249 Ų | 249 | 163.1 Ų | 163.1 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | trans | -106.3 | 136.7 | 145.4 | -89.8 | -169 | 174.8 | -168 | -0.9 | 109.2 | ||||
| 462 | L | 34.7 | Very low | 33.4 | Very low | 171 Ų | 171 | 166.4 Ų | 166.4 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -83.9 | 152.4 | 171.6 | -155.9 | 71.4 | 0 | 0 | 0 | 109.9 | ||||
| 463 | T | 31.8 | Very low | 33.4 | Very low | 126 Ų | 126 | 163.7 Ų | 163.7 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -82 | 130.8 | -172 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 464 | Q | 34.8 | Very low | 33.2 | Very low | 172 Ų | 172 | 167.2 Ų | 167.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -133.2 | 137.7 | 159 | -79.5 | -68.9 | -4.7 | 0 | 0 | 108.3 | H466 | Q464-H466 PolarHBondContact O-N 3.19Š| ||
| 465 | P | 33.6 | Very low | 33.2 | Very low | 97 Ų | 97 | 167 Ų | 167 | 63% | 0.63 | 81% | 0.813 | S | S | * | * | trans | -84.7 | 110 | -169.5 | 31.8 | -32.6 | 0 | 0 | 0 | 112.5 | Y467 | P465-Y467 PolarHBondContact O-N 3.39Š| ||
| 466 | H | 33.6 | Very low | 33.2 | Very low | 173 Ų | 173 | 169.7 Ų | 169.7 | 80% | 0.801 | 82% | 0.818 | S | S | * | * | trans | -74.4 | 103.1 | 166.2 | -95.8 | -86.1 | 0 | 0 | 0 | 110.7 | Q464 N468 | Q464-H466 PolarHBondContact O-N 3.19Å; H466-N468 VanDerWaalsContact C-N 3.3Å; H466-N468 PolarHBondContact O-N 2.95Å | ||
| 467 | Y | 31 | Very low | 33.3 | Very low | 207 Ų | 207 | 164.2 Ų | 164.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -74.2 | 81.5 | 164 | -84.6 | -86.6 | 0 | 0 | 0 | 110.6 | P465 F469 | P465-Y467 PolarHBondContact O-N 3.39Å; Y467-F469 PolarHBondContact O-N 3.43Å | ||
| 468 | N | 32.3 | Very low | 33.2 | Very low | 124 Ų | 124 | 163.7 Ų | 163.7 | 66% | 0.663 | 81% | 0.807 | S | S | * | * | trans | -85.4 | 105.1 | 164.8 | -89.7 | 9.7 | 0 | 0 | 0 | 109.9 | H466 Q470 | H466-N468 VanDerWaalsContact C-N 3.3Å; H466-N468 PolarHBondContact O-N 2.95Å; N468-Q470 PolarHBondContact O-N 2.95Å; N468-Q470 VanDerWaalsContact O-N 3.1Å | ||
| 469 | F | 31 | Very low | 33.1 | Very low | 206 Ų | 206 | 161.7 Ų | 161.7 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | -67.5 | 101 | 156.9 | -92.1 | -90.8 | 0 | 0 | 0 | 108.5 | Y467 | Y467-F469 PolarHBondContact O-N 3.43Š| ||
| 470 | Q | 31.9 | Very low | 33.2 | Very low | 169 Ų | 169 | 160.8 Ų | 160.8 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -122.3 | 121.3 | 171 | -157.4 | 165.5 | 21.2 | 0 | 0 | 109.7 | N468 | N468-Q470 PolarHBondContact O-N 2.95Å; N468-Q470 VanDerWaalsContact O-N 3.1Å | ||
| 471 | I | 36.4 | Very low | 33.2 | Very low | 157 Ų | 157 | 154 Ų | 154 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -67.1 | 139.4 | -174.1 | -66.9 | 165.9 | 0 | 0 | 0 | 110 | A473 | I471-A473 PolarHBondContact O-N 3.12Š| ||
| 472 | E | 29.3 | Very low | 33.2 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -64.2 | 98.6 | 177.9 | -65 | -175.5 | 119.9 | 0 | 0 | 111.7 | ||||
| 473 | A | 35.4 | Very low | 33.1 | Very low | 70 Ų | 70 | 156.4 Ų | 156.4 | 58% | 0.579 | 79% | 0.788 | S | S | * | * | trans | -134.4 | 93.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | I471 N475 | I471-A473 PolarHBondContact O-N 3.12Å; A473-N475 PolarHBondContact O-N 3.24Å | ||
| 474 | N | 32 | Very low | 33.1 | Very low | 169 Ų | 169 | 156.4 Ų | 156.4 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -72.5 | 59.9 | -177.5 | -90.9 | -44.9 | 0 | 0 | 0 | 113.1 | K476 | N474-K476 PolarHBondContact O-N 3.44Å; N474-K476 VanDerWaalsContact O-N 3.14Å | ||
| 475 | N | 35.2 | Very low | 33.2 | Very low | 137 Ų | 137 | 158.7 Ų | 158.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -81.7 | 87 | 175.9 | -77.4 | -16.6 | 0 | 0 | 0 | 110.8 | A473 T477 | A473-N475 PolarHBondContact O-N 3.24Å; N475-T477 PolarHBondContact O-N 3.44Å; N475-T477 VanDerWaalsContact O-N 3.09Å | ||
| 476 | K | 34.5 | Very low | 33.3 | Very low | 206 Ų | 206 | 158.7 Ų | 158.7 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | trans | -78.8 | 88.7 | 170.2 | -144.5 | 178 | -169.8 | -178.8 | 0 | 109.8 | N474 I478 | N474-K476 PolarHBondContact O-N 3.44Å; N474-K476 VanDerWaalsContact O-N 3.14Å; K476-I478 PolarHBondContact O-N 2.9Å | ||
| 477 | T | 32.5 | Very low | 33.5 | Very low | 123 Ų | 123 | 162.5 Ų | 162.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -71 | 119.8 | -179.1 | 40.5 | 0 | 0 | 0 | 0 | 112.3 | N475 | N475-T477 PolarHBondContact O-N 3.44Å; N475-T477 VanDerWaalsContact O-N 3.09Å | ||
| 478 | I | 33.4 | Very low | 33.7 | Very low | 161 Ų | 161 | 156.2 Ų | 156.2 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -133.2 | 126.7 | 155.9 | -62.2 | -176.6 | 0 | 0 | 0 | 107.7 | K476 | K476-I478 PolarHBondContact O-N 2.9Š| ||
| 479 | S | 30.3 | Very low | 34 | Very low | 101 Ų | 101 | 153.3 Ų | 153.3 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -112.9 | -172.9 | 177.3 | -50.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 480 | P | 40.1 | Very low | 34.5 | Very low | 124 Ų | 124 | 151 Ų | 151 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | -121.6 | -169.2 | -58.8 | 35 | -20.1 | 0 | 0 | 0 | 110.5 | |||||
| 481 | S | 31.1 | Very low | 35.1 | Very low | 100 Ų | 100 | 151.3 Ų | 151.3 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 148.4 | 118.9 | 130.5 | -169.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 482 | R | 32.2 | Very low | 35.4 | Very low | 231 Ų | 231 | 151.2 Ų | 151.2 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | 39.1 | 112.5 | 140.3 | -58.4 | 177.6 | 173.2 | -157.6 | -3.1 | 121.1 | ||||
| 483 | R | 33.3 | Very low | 36.2 | Very low | 238 Ų | 238 | 150.9 Ų | 150.9 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | 164.4 | 147.9 | 122.9 | -95.7 | -179.1 | 179.9 | 151.9 | 2.8 | 109.7 | |||||
| 484 | D | 31.8 | Very low | 36.4 | Very low | 126 Ų | 126 | 155 Ų | 155 | 67% | 0.674 | 80% | 0.802 | S | S | * | * | cis | -165.1 | 163.8 | -14.8 | -150.7 | -34.6 | 0 | 0 | 0 | 108 | ||||
| 485 | R | 37 | Very low | 36.7 | Very low | 220 Ų | 220 | 156.5 Ų | 156.5 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | 66.7 | 156.9 | 170.7 | -51.4 | 167.7 | -172 | -175.1 | 0.9 | 116.8 | ||||
| 486 | S | 34.3 | Very low | 36.7 | Very low | 97 Ų | 97 | 157.5 Ų | 157.5 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | cis | -175.2 | 146.3 | -29.4 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 487 | R | 38.2 | Very low | 37 | Very low | 253 Ų | 253 | 153.2 Ų | 153.2 | 96% | 0.955 | 80% | 0.803 | S | S | * | * | trans | 68.4 | 146.9 | 178.5 | -57.7 | 174.3 | 163.9 | -178 | -8.1 | 115.5 | ||||
| 488 | G | 36.7 | Very low | 37 | Very low | 76 Ų | 76 | 156.6 Ų | 156.6 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | cis | 143.8 | 120.2 | -14 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 489 | G | 37 | Very low | 37.3 | Very low | 62 Ų | 62 | 154 Ų | 154 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | trans | 72.7 | 161.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 490 | D | 41.4 | Very low | 37.8 | Very low | 158 Ų | 158 | 158.2 Ų | 158.2 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | cis | -164.1 | -171.8 | -19.9 | -89.7 | -41.7 | 0 | 0 | 0 | 106.8 | ||||
| 491 | E | 45.3 | Very low | 37.6 | Very low | 175 Ų | 175 | 159.3 Ų | 159.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 74.4 | 88.1 | 162.5 | -59 | 175.4 | -157.7 | 0 | 0 | 117.9 | ||||
| 492 | D | 42.1 | Very low | 37.8 | Very low | 156 Ų | 156 | 163 Ų | 163 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | 40.6 | 138 | 114.4 | -48 | -22.2 | 0 | 0 | 0 | 122.2 | |||||
| 493 | E | 46.5 | Very low | 38.2 | Very low | 186 Ų | 186 | 162.9 Ų | 162.9 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -179.4 | 122 | 133.3 | -95.6 | -83.8 | 170.3 | 0 | 0 | 108.5 | ||||
| 494 | D | 38.9 | Very low | 38.4 | Very low | 155 Ų | 155 | 157.6 Ų | 157.6 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | -82.9 | 138.5 | -176.7 | -75.9 | -52.1 | 0 | 0 | 0 | 112.4 | ||||
| 495 | F | 38.8 | Very low | 38.6 | Very low | 202 Ų | 202 | 162 Ų | 162 | 89% | 0.886 | 83% | 0.832 | S | S | * | * | trans | -153.4 | 106.4 | 152.8 | -118 | -74.5 | 0 | 0 | 0 | 113.2 | ||||
| 496 | D | 36.1 | Very low | 38.5 | Very low | 157 Ų | 157 | 154.4 Ų | 154.4 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -66.7 | 136.3 | 174.3 | -94 | -46.9 | 0 | 0 | 0 | 112.7 | ||||
| 497 | S | 40.1 | Very low | 38.4 | Very low | 117 Ų | 117 | 159.6 Ų | 159.6 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -162.6 | 108 | 159 | -83.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 498 | E | 32.9 | Very low | 38.2 | Very low | 194 Ų | 194 | 154.5 Ų | 154.5 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | -64.8 | 130.7 | 178.1 | -54.5 | 177.7 | 103.5 | 0 | 0 | 112.4 | ||||
| 499 | S | 39.6 | Very low | 38 | Very low | 106 Ų | 106 | 156.2 Ų | 156.2 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | -175 | 106.8 | 135.1 | 32.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 500 | K | 39.9 | Very low | 37.9 | Very low | 189 Ų | 189 | 161.6 Ų | 161.6 | 82% | 0.822 | 84% | 0.842 | S | S | * | * | 55.7 | 126.9 | 126.6 | -66.3 | 173.8 | -178.1 | 169.3 | 0 | 121.2 | |||||
| 501 | N | 37 | Very low | 37.6 | Very low | 147 Ų | 147 | 162.6 Ų | 162.6 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | trans | 81.8 | 81.2 | 143.1 | -57 | -8.7 | 0 | 0 | 0 | 119.3 | R503 | N501-R503 PolarHBondContact O-N 3.29Š| ||
| 502 | N | 35 | Very low | 37.2 | Very low | 177 Ų | 177 | 165.8 Ų | 165.8 | 95% | 0.947 | 85% | 0.851 | S | S | * | * | trans | -65.8 | 114.2 | 150.9 | -85.1 | -37.1 | 0 | 0 | 0 | 110.8 | ||||
| 503 | R | 39.8 | Very low | 37 | Very low | 229 Ų | 229 | 170 Ų | 170 | 86% | 0.864 | 86% | 0.855 | S | S | * | * | trans | -141.2 | 132.5 | 164.2 | -157.3 | 173.5 | -169.1 | -175.7 | 3.1 | 109.2 | N501 | N501-R503 PolarHBondContact O-N 3.29Š| ||
| 504 | P | 38.9 | Very low | 36.6 | Very low | 127 Ų | 127 | 166.5 Ų | 166.5 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | trans | -68.5 | 150.7 | -171.5 | 25.8 | -34.3 | 0 | 0 | 0 | 113.1 | ||||
| 505 | K | 36.2 | Very low | 36.4 | Very low | 220 Ų | 220 | 170.5 Ų | 170.5 | 96% | 0.957 | 86% | 0.855 | S | S | * | * | trans | -83.2 | 124.3 | -173.9 | -63.4 | 170.2 | -179.5 | 172.3 | 0 | 111.3 | ||||
| 506 | G | 33.8 | Very low | 36.3 | Very low | 60 Ų | 60 | 166.8 Ų | 166.8 | 62% | 0.619 | 85% | 0.854 | S | S | * | * | trans | 179.6 | 142 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 507 | F | 33 | Very low | 36.4 | Very low | 206 Ų | 206 | 164.9 Ų | 164.9 | 90% | 0.904 | 85% | 0.853 | S | S | * | * | trans | 55.2 | 80 | 168.7 | -62.5 | -79.6 | 0 | 0 | 0 | 119.1 | ||||
| 508 | V | 32.6 | Very low | 36.1 | Very low | 146 Ų | 146 | 163.6 Ų | 163.6 | 89% | 0.885 | 85% | 0.85 | S | S | * | * | trans | -142.2 | 106.9 | 147.1 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 509 | S | 33.2 | Very low | 36.1 | Very low | 111 Ų | 111 | 158.2 Ų | 158.2 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | trans | -170.5 | 42.5 | 172.4 | 43.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 510 | L | 36 | Very low | 35.7 | Very low | 175 Ų | 175 | 160 Ų | 160 | 92% | 0.916 | 84% | 0.84 | S | S | * | * | trans | -135.3 | 60.8 | 169.8 | -83.2 | -178.8 | 0 | 0 | 0 | 114 | ||||
| 511 | L | 34.3 | Very low | 35.7 | Very low | 179 Ų | 179 | 160.6 Ų | 160.6 | 94% | 0.937 | 85% | 0.845 | S | S | * | * | trans | -154.1 | 73.5 | 166.6 | -155.9 | 74.7 | 0 | 0 | 0 | 113.7 | ||||
| 512 | R | 36.5 | Very low | 35.5 | Very low | 243 Ų | 243 | 159.2 Ų | 159.2 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -159.1 | 90.5 | 169.1 | -167.5 | 177.7 | -72 | -169.2 | -1.4 | 114.8 | ||||
| 513 | R | 38.4 | Very low | 35.3 | Very low | 244 Ų | 244 | 158.8 Ų | 158.8 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | trans | -171.4 | 129.9 | 155.8 | -101.2 | 174.3 | -178.7 | -164 | -0.6 | 106.3 | ||||
| 514 | S | 38.8 | Very low | 35.2 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | cis | -147.1 | 158.5 | -0.8 | -68.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 515 | R | 33.2 | Very low | 34.9 | Very low | 238 Ų | 238 | 157.8 Ų | 157.8 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | trans | -102.7 | 139 | 173.6 | -68.1 | 174.3 | 68.7 | -169.1 | 3.3 | 110.1 | ||||
| 516 | S | 38 | Very low | 34.5 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | 172.1 | 140.1 | 156.7 | -77.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 517 | S | 37.8 | Very low | 34.7 | Very low | 116 Ų | 116 | 158 Ų | 158 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | cis | -155.2 | -179 | -11 | -161.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 518 | A | 32.5 | Very low | 34.7 | Very low | 91 Ų | 91 | 158.4 Ų | 158.4 | 75% | 0.752 | 84% | 0.837 | S | S | * | * | trans | -45.9 | 159.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 519 | A | 33.9 | Very low | 34.9 | Very low | 80 Ų | 80 | 157.1 Ų | 157.1 | 66% | 0.661 | 83% | 0.834 | S | S | * | * | cis | -165.9 | 179 | -9.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 520 | D | 31.3 | Very low | 35.1 | Very low | 145 Ų | 145 | 157.7 Ų | 157.7 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | trans | 29.1 | 109.1 | 154.2 | -54 | -25.1 | 0 | 0 | 0 | 119 | ||||
| 521 | H | 39.1 | Very low | 35.5 | Very low | 201 Ų | 201 | 158 Ų | 158 | 93% | 0.931 | 83% | 0.826 | S | S | * | * | -148 | 129.7 | 127.1 | -115.5 | -74.9 | 0 | 0 | 0 | 112.4 | |||||
| 522 | V | 32.4 | Very low | 35.5 | Very low | 118 Ų | 118 | 156.7 Ų | 156.7 | 72% | 0.715 | 82% | 0.82 | S | S | * | * | trans | -78.9 | 135.9 | -175.4 | 172.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 523 | M | 31.4 | Very low | 35.3 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 82% | 0.823 | 81% | 0.814 | S | S | * | * | trans | 30.1 | 120.5 | 160.2 | -57 | -175.9 | -55.2 | 0 | 0 | 119.2 | ||||
| 524 | M | 38 | Very low | 35.3 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | -153.4 | 152.5 | 126.5 | -113 | -55.2 | 160.4 | 0 | 0 | 112.6 | |||||
| 525 | N | 32.8 | Very low | 35 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -89.2 | 151.4 | -179.3 | -78.2 | -19.8 | 0 | 0 | 0 | 112.3 | ||||
| 526 | G | 28.4 | Very low | 35 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 71.3 | 97.2 | 131.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 527 | F | 37.3 | Very low | 35 | Very low | 214 Ų | 214 | 139.3 Ų | 139.3 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | trans | -128 | 92 | 150 | -82.8 | -78 | 0 | 0 | 0 | 110.6 | ||||
| 528 | R | 31.6 | Very low | 34.8 | Very low | 216 Ų | 216 | 139.6 Ų | 139.6 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | -85.9 | 141.4 | 146.3 | -82.3 | -170.5 | 174.3 | -132.6 | 1.8 | 107.4 | E530 | R528-E530 WeakPolarHBondContact CD-OE1 3.26Å; R528-E530 IonicContact CZ-OE1 2.62Å; R528-E530 IonicContact NE-OE1 2.72Å; R528-E530 IonicContact NH1-OE1 3.67Å; R528-E530 PolarHBondContact NH1-OE1 2.92Å | ||
| 529 | S | 38.4 | Very low | 35 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -142.5 | 111 | 161.4 | -167.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 530 | E | 36 | Very low | 35 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 57% | 0.57 | 79% | 0.787 | S | S | * | * | trans | -99.1 | 133.3 | -175.6 | -71.6 | 167.3 | -161.5 | 0 | 0 | 109.7 | R528 N532 | R528-E530 WeakPolarHBondContact CD-OE1 3.26Å; R528-E530 IonicContact CZ-OE1 2.62Å; R528-E530 IonicContact NE-OE1 2.72Å; R528-E530 IonicContact NH1-OE1 3.67Å; R528-E530 PolarHBondContact NH1-OE1 2.92Å; E530-N532 PolarHBondContact O-N 3.14Å | ||
| 531 | L | 45.4 | Very low | 35.2 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | -84.8 | 101.6 | 176.4 | -72.6 | 171.3 | 0 | 0 | 0 | 109.9 | ||||
| 532 | N | 34.5 | Very low | 35 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -79.9 | 128.3 | 178.7 | -91.6 | -25.7 | 0 | 0 | 0 | 113.2 | E530 | E530-N532 PolarHBondContact O-N 3.14Š| ||
| 533 | S | 33 | Very low | 35.1 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -163.1 | 150 | 158 | -104.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 534 | P | 38.5 | Very low | 35.1 | Very low | 120 Ų | 120 | 145 Ų | 145 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | -125.9 | 156.2 | -91.2 | 38.3 | -29.7 | 0 | 0 | 0 | 114 | |||||
| 535 | C | 32.5 | Very low | 35.1 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | -92.7 | 144.6 | 161.7 | -77.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 536 | S | 33.2 | Very low | 35.4 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -105.5 | 166.8 | 179.3 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 537 | N | 36.1 | Very low | 35.7 | Very low | 129 Ų | 129 | 142 Ų | 142 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | 70.9 | 142.3 | 170.1 | -61.5 | 52.3 | 0 | 0 | 0 | 114.4 | ||||
| 538 | D | 35.2 | Very low | 35.8 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 65% | 0.647 | 76% | 0.762 | S | S | * | * | cis | -157 | 165 | -3.7 | -128 | -37.6 | 0 | 0 | 0 | 113.9 | ||||
| 539 | T | 35.3 | Very low | 36.1 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | trans | 63.1 | 119.7 | 152.5 | 50.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 540 | I | 35.5 | Very low | 36.2 | Very low | 144 Ų | 144 | 134 Ų | 134 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | 100.9 | 129.2 | 121.7 | -73.7 | 171.4 | 0 | 0 | 0 | 121.5 | |||||
| 541 | N | 35.2 | Very low | 36.2 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | 73.2 | 87 | 158.7 | -71.3 | -10.3 | 0 | 0 | 0 | 122.6 | ||||
| 542 | H | 33.6 | Very low | 35.8 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 36.8 | 111.9 | 113.4 | -56.7 | -59.6 | 0 | 0 | 0 | 120.3 | |||||
| 543 | N | 35.8 | Very low | 35.8 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | -179.6 | 124.7 | 106.1 | -95.5 | -66.7 | 0 | 0 | 0 | 109.2 | |||||
| 544 | R | 30.3 | Very low | 35.7 | Very low | 234 Ų | 234 | 132 Ų | 132 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | 70.4 | 120 | 89.6 | -161.9 | -179.7 | -173.6 | -168.6 | 2.8 | 111.4 | |||||
| 545 | A | 38.5 | Very low | 35.4 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | cis | -148.7 | 176 | 31.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 546 | S | 39 | Very low | 35.3 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 52.9 | 115.7 | 165.1 | -65.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 547 | I | 35.7 | Very low | 35.3 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | cis | 54 | 102.2 | 28 | -47.5 | 178 | 0 | 0 | 0 | 112.9 | ||||
| 548 | D | 39.7 | Very low | 35.3 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -145.7 | 119.3 | 139.9 | -107.7 | -38.1 | 0 | 0 | 0 | 110 | ||||
| 549 | T | 36.9 | Very low | 35.3 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | -132.1 | 124.1 | 165.2 | -53.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 550 | P | 40.5 | Very low | 35.4 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 62% | 0.623 | 77% | 0.771 | S | S | * | * | trans | -142.2 | 140.4 | 152.9 | 36.9 | -21.9 | 0 | 0 | 0 | 116.2 | ||||
| 551 | T | 36 | Very low | 35.3 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 52.2 | 129.8 | 140.2 | 56.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 552 | P | 36.5 | Very low | 35.4 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -100.4 | 105.3 | 153 | 34.5 | -23.8 | 0 | 0 | 0 | 111.8 | ||||
| 553 | T | 34.1 | Very low | 35.3 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | trans | -146.6 | 119.8 | 176.3 | -31 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 554 | E | 30.8 | Very low | 35.4 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | 23.7 | 156.2 | 148.1 | -53.4 | -174.9 | 124.3 | 0 | 0 | 124.8 | ||||
| 555 | S | 33.4 | Very low | 35.5 | Very low | 128 Ų | 128 | 130 Ų | 130 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | 84.8 | 137.3 | 168.2 | -44.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 556 | G | 29.1 | Very low | 35.1 | Very low | 71 Ų | 71 | 132.1 Ų | 132.1 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | cis | 167.5 | 142 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 557 | A | 33.3 | Very low | 34.7 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | 64.8 | 156.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 558 | S | 37.6 | Very low | 34.7 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | cis | -141.9 | 166 | 6.3 | 61.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 559 | G | 33.8 | Very low | 34.7 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | 121.4 | 94.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 560 | P | 38.8 | Very low | 35.1 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -102.4 | 170 | -170.9 | 40.3 | -35.9 | 0 | 0 | 0 | 114.2 | ||||
| 561 | E | 33.2 | Very low | 35.7 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | 71 | 148.7 | 170.5 | -55.4 | -169.4 | -151.6 | 0 | 0 | 115.6 | ||||
| 562 | Q | 36.4 | Very low | 36.6 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | cis | -140.8 | 173.4 | 15.4 | -142.5 | 153.2 | 62.9 | 0 | 0 | 112.2 | ||||
| 563 | Y | 32.1 | Very low | 37.7 | Very low | 202 Ų | 202 | 134 Ų | 134 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -40 | 159.6 | 178.9 | -70.2 | -106.1 | 0 | 0 | 0 | 115.6 | ||||
| 564 | E | 36.6 | Very low | 39.4 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | cis | -158.1 | 167.5 | 38.8 | -157.5 | 161.4 | -115.9 | 0 | 0 | 114.9 | ||||
| 565 | I | 32.7 | Very low | 41.3 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | -100.5 | 119.5 | -177.3 | -61.5 | 166.5 | 0 | 0 | 0 | 110.8 | ||||
| 566 | C | 30.9 | Very low | 43.2 | Very low | 129 Ų | 129 | 134 Ų | 134 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | -150.7 | 144 | 146.9 | -155.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 567 | G | 30.9 | Very low | 45.4 | Very low | 62 Ų | 62 | 133.7 Ų | 133.7 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | trans | -87.5 | 151.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 568 | N | 35.7 | Very low | 47.5 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | -156.4 | 151.9 | 147.8 | -122.3 | -47.6 | 0 | 0 | 0 | 111.6 | R570 | N568-R570 PolarHBondContact O-N 3.43Å; N568-R570 VanDerWaalsContact O-N 3.15Å | ||
| 569 | E | 38.7 | Very low | 49.3 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | trans | -69.9 | 107.9 | -170.6 | -61.9 | 179.4 | 166.6 | 0 | 0 | 111.7 | K571 | E569-K571 VanDerWaalsContact C-N 3.35Å; E569-K571 PolarHBondContact O-N 3.47Å | ||
| 570 | R | 45.7 | Very low | 51.2 | Low | 229 Ų | 229 | 141.6 Ų | 141.6 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | trans | -73.5 | 87.6 | 177.4 | -70.6 | -174.2 | -179.2 | 160.1 | 2.5 | 110.9 | N568 | N568-R570 PolarHBondContact O-N 3.43Å; N568-R570 VanDerWaalsContact O-N 3.15Å | ||
| 571 | K | 52.6 | Low | 52.6 | Low | 157 Ų | 157 | 138.7 Ų | 138.7 | 68% | 0.683 | 69% | 0.686 | S | S | * | * | trans | -50.4 | 145.9 | 175.7 | -68.2 | 178.8 | 179.1 | 177.2 | 0 | 111.3 | E569 G573 D574 | E569-K571 VanDerWaalsContact C-N 3.35Å; E569-K571 PolarHBondContact O-N 3.47Å; K571-G573 PolarHBondContact O-N 3Å; K571-D574 PolarHBondContact O-N 3.18Å | ||
| 572 | P | 56.1 | Low | 54.5 | Low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -14.7 | -175.6 | 22.9 | -33.7 | 0 | 0 | 0 | 115 | D574 R575 L576 | P572-D574 VanDerWaalsContact C-N 3.26Å; P572-D574 PolarHBondContact O-N 3.24Å; P572-R575 PolarHBondContact O-N 3.31Å; P572-L576 PolarHBondContact O-N 3.36Å |
| 573 | G | 60.2 | Low | 56 | Low | 36 Ų | 36 | 131.4 Ų | 131.4 | 37% | 0.371 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -59 | -28.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K571 L576 S577 | K571-G573 PolarHBondContact O-N 3Å; G573-L576 PolarHBondContact O-N 3Å; G573-S577 VanDerWaalsContact O-CB 3.31Å; G573-S577 WeakPolarHBondContact O-CB 3.45Å; G573-S577 PolarHBondContact O-N 3.44Å; G573-S577 PolarHBondContact O-OG 3.19Å |
| 574 | D | 68.8 | Low | 57.5 | Low | 106 Ų | 106 | 129.7 Ų | 129.7 | 57% | 0.567 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.4 | -38.3 | -178.9 | -71.8 | -8.4 | 0 | 0 | 0 | 112.1 | K571 P572 S577 R578 | K571-D574 PolarHBondContact O-N 3.18Å; P572-D574 VanDerWaalsContact C-N 3.26Å; P572-D574 PolarHBondContact O-N 3.24Å; D574-S577 PolarHBondContact O-N 3.41Å; D574-R578 WeakPolarHBondContact O-CB 3.49Å; D574-R578 PolarHBondContact O-N 3.37Å |
| 575 | R | 70.8 | Confident | 58.9 | Low | 218 Ų | 218 | 128.9 Ų | 128.9 | 82% | 0.823 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.7 | -45.6 | 174.9 | -76.6 | -172.5 | 171.1 | -160.6 | -2 | 110.8 | P572 S577 R578 L579 | P572-R575 PolarHBondContact O-N 3.31Å; R575-S577 VanDerWaalsContact C-N 3.33Å; R575-S577 PolarHBondContact O-N 3.25Å; R575-R578 PolarHBondContact O-N 3.22Å; R575-L579 WeakPolarHBondContact O-CB 3.46Å; R575-L579 PolarHBondContact O-N 3.06Å |
| 576 | L | 73 | Confident | 60.4 | Low | 83 Ų | 83 | 125.2 Ų | 125.2 | 44% | 0.435 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64 | -38.2 | 177.5 | -175.1 | 64.9 | 0 | 0 | 0 | 112 | P572 G573 L579 R580 | P572-L576 PolarHBondContact O-N 3.36Å; G573-L576 PolarHBondContact O-N 3Å; L576-L579 PolarHBondContact O-N 2.97Å; L576-R580 WeakPolarHBondContact O-CB 3.23Å; L576-R580 WeakPolarHBondContact O-CG 3.44Å; L576-R580 PolarHBondContact O-N 3.21Å |
| 577 | S | 75.7 | Confident | 61.6 | Low | 66 Ų | 66 | 125.7 Ų | 125.7 | 46% | 0.462 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.2 | -41.9 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | G573 D574 R575 R580 A581 | G573-S577 VanDerWaalsContact O-CB 3.31Å; G573-S577 WeakPolarHBondContact O-CB 3.45Å; G573-S577 PolarHBondContact O-N 3.44Å; G573-S577 PolarHBondContact O-OG 3.19Å; D574-S577 PolarHBondContact O-N 3.41Å; R575-S577 VanDerWaalsContact C-N 3.33Å; R575-S577 PolarHBondContact O-N 3.25Å; S577-R580 PolarHBondContact O-N 3.03Å; S577-A581 PolarHBondContact O-N 2.83Å |
| 578 | R | 76.3 | Confident | 62.6 | Low | 209 Ų | 209 | 125.6 Ų | 125.6 | 79% | 0.789 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.5 | -36.9 | 174.3 | -166.4 | 175.8 | -70.5 | -154.1 | -2.4 | 112.1 | D574 R575 A581 S582 | D574-R578 WeakPolarHBondContact O-CB 3.49Å; D574-R578 PolarHBondContact O-N 3.37Å; R575-R578 PolarHBondContact O-N 3.22Å; R578-A581 PolarHBondContact O-N 3.31Å; R578-S582 PolarHBondContact O-N 3.49Å |
| 579 | L | 75.7 | Confident | 63.6 | Low | 107 Ų | 107 | 125.3 Ų | 125.3 | 56% | 0.56 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.3 | -46.1 | 173.4 | -163.1 | 82.3 | 0 | 0 | 0 | 111.8 | R575 L576 A581 S582 L583 | R575-L579 WeakPolarHBondContact O-CB 3.46Å; R575-L579 PolarHBondContact O-N 3.06Å; L576-L579 PolarHBondContact O-N 2.97Å; L579-A581 VanDerWaalsContact C-N 3.32Å; L579-A581 PolarHBondContact O-N 2.84Å; L579-S582 PolarHBondContact O-N 2.92Å; L579-L583 PolarHBondContact O-N 3.07Å |
| 580 | R | 73.7 | Confident | 64.2 | Low | 157 Ų | 157 | 121.2 Ų | 121.2 | 59% | 0.592 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.5 | -38.3 | 174.8 | -77.6 | 175.6 | 175.1 | 167.9 | -2.2 | 112.6 | L576 S577 R584 | L576-R580 WeakPolarHBondContact O-CB 3.23Å; L576-R580 WeakPolarHBondContact O-CG 3.44Å; L576-R580 PolarHBondContact O-N 3.21Å; S577-R580 PolarHBondContact O-N 3.03Å; R580-R584 WeakPolarHBondContact O-CG 3.47Å; R580-R584 PolarHBondContact O-N 3.02Å |
| 581 | A | 69.7 | Low | 64.4 | Low | 52 Ų | 52 | 119 Ų | 119 | 43% | 0.43 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.5 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S577 R578 L579 R584 Q585 | S577-A581 PolarHBondContact O-N 2.83Å; R578-A581 PolarHBondContact O-N 3.31Å; L579-A581 VanDerWaalsContact C-N 3.32Å; L579-A581 PolarHBondContact O-N 2.84Å; A581-R584 PolarHBondContact O-N 3.5Å; A581-Q585 PolarHBondContact O-N 2.83Å; A581-Q585 VanDerWaalsContact O-N 3.13Å |
| 582 | S | 73.2 | Confident | 64.5 | Low | 70 Ų | 70 | 115.6 Ų | 115.6 | 49% | 0.49 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.1 | -43.4 | 175.7 | -176 | 0 | 0 | 0 | 0 | 112.4 | R578 L579 R584 Q585 S586 | R578-S582 PolarHBondContact O-N 3.49Å; L579-S582 PolarHBondContact O-N 2.92Å; S582-R584 PolarHBondContact O-N 3.28Å; S582-Q585 PolarHBondContact O-N 3.14Å; S582-S586 PolarHBondContact O-N 3.36Å |
| 583 | L | 67.6 | Low | 64.4 | Low | 90 Ų | 90 | 119.4 Ų | 119.4 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.1 | -42.8 | 174.3 | -114 | 87.3 | 0 | 0 | 0 | 112.5 | L579 Q585 S586 F587 | L579-L583 PolarHBondContact O-N 3.07Å; L583-Q585 VanDerWaalsContact C-N 3.27Å; L583-Q585 PolarHBondContact O-N 3.07Å; L583-S586 WeakPolarHBondContact CA-OG 3.39Å; L583-S586 PolarHBondContact O-N 3.04Å; L583-S586 PolarHBondContact O-OG 3.31Å; L583-F587 HydrophobicContact CD2-CE2 4.08Å; L583-F587 HydrophobicContact CG-CD2 4.41Å; L583-F587 HydrophobicContact CG-CE2 4.16Å; L583-F587 WeakPolarHBondContact O-CD2 3.5Å; L583-F587 PolarHBondContact O-N 3.29Å; L583-F587 VanDerWaalsContact O-N 3.1Å |
| 584 | R | 63.2 | Low | 64.1 | Low | 166 Ų | 166 | 121.1 Ų | 121.1 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.7 | -31.7 | 179 | -76.3 | 178.2 | 174.9 | -160.2 | -2.7 | 112.6 | R580 A581 S582 W589 | R580-R584 WeakPolarHBondContact O-CG 3.47Å; R580-R584 PolarHBondContact O-N 3.02Å; A581-R584 PolarHBondContact O-N 3.5Å; S582-R584 PolarHBondContact O-N 3.28Å; R584-W589 PolarHBondContact O-N 3.26Å |
| 585 | Q | 64.8 | Low | 63.7 | Low | 163 Ų | 163 | 120.1 Ų | 120.1 | 76% | 0.762 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.1 | -44.2 | 170.9 | -71.7 | -177 | -53.8 | 0 | 0 | 112.1 | A581 S582 L583 F587 G588 | A581-Q585 PolarHBondContact O-N 2.83Å; A581-Q585 VanDerWaalsContact O-N 3.13Å; S582-Q585 PolarHBondContact O-N 3.14Å; L583-Q585 VanDerWaalsContact C-N 3.27Å; L583-Q585 PolarHBondContact O-N 3.07Å; Q585-F587 VanDerWaalsContact C-N 3.31Å; Q585-F587 PolarHBondContact O-N 3.46Å; Q585-G588 PolarHBondContact O-N 2.94Å; Q585-G588 VanDerWaalsContact O-N 3.15Å |
| 586 | S | 64.3 | Low | 63.6 | Low | 88 Ų | 88 | 116.2 Ų | 116.2 | 62% | 0.615 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.1 | -28.2 | -176.5 | 63.9 | 0 | 0 | 0 | 0 | 114.1 | S582 L583 | S582-S586 PolarHBondContact O-N 3.36Å; L583-S586 WeakPolarHBondContact CA-OG 3.39Å; L583-S586 PolarHBondContact O-N 3.04Å; L583-S586 PolarHBondContact O-OG 3.31Å |
| 587 | F | 58 | Low | 63.6 | Low | 138 Ų | 138 | 120 Ų | 120 | 61% | 0.605 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 1.2 | 174.9 | -72.9 | -72.7 | 0 | 0 | 0 | 114.4 | L583 Q585 W589 | L583-F587 HydrophobicContact CD2-CE2 4.08Å; L583-F587 HydrophobicContact CG-CD2 4.41Å; L583-F587 HydrophobicContact CG-CE2 4.16Å; L583-F587 WeakPolarHBondContact O-CD2 3.5Å; L583-F587 PolarHBondContact O-N 3.29Å; L583-F587 VanDerWaalsContact O-N 3.1Å; Q585-F587 VanDerWaalsContact C-N 3.31Å; Q585-F587 PolarHBondContact O-N 3.46Å; F587-W589 HydrophobicContact CB-CG 4.4Å; F587-W589 PolarHBondContact O-N 2.93Å |
| 588 | G | 50.3 | Low | 63.5 | Low | 60 Ų | 60 | 122.8 Ų | 122.8 | 62% | 0.619 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.7 | 22.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q585 | Q585-G588 PolarHBondContact O-N 2.94Å; Q585-G588 VanDerWaalsContact O-N 3.15Å |
| 589 | W | 56.3 | Low | 63.6 | Low | 150 Ų | 150 | 119.6 Ų | 119.6 | 57% | 0.568 | 61% | 0.605 | S | S | * | * | trans | -64.8 | 122.5 | -175.8 | -72.1 | 8.7 | 0 | 0 | 0 | 110.8 | R584 F587 | R584-W589 PolarHBondContact O-N 3.26Å; F587-W589 HydrophobicContact CB-CG 4.4Å; F587-W589 PolarHBondContact O-N 2.93Å | ||
| 590 | P | 51.3 | Low | 63.8 | Low | 84 Ų | 84 | 116.7 Ų | 116.7 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | trans | -66 | 152.3 | 179.8 | 28.1 | -35 | 0 | 0 | 0 | 111.3 | S592 | P590-S592 PolarHBondContact O-N 2.72Š| ||
| 591 | L | 51.3 | Low | 64.1 | Low | 184 Ų | 184 | 116 Ų | 116 | 96% | 0.963 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -71.7 | -15.7 | -177.9 | -77.4 | 78.5 | 0 | 0 | 0 | 113.4 | ||
| 592 | S | 54.6 | Low | 64.8 | Low | 84 Ų | 84 | 116.4 Ų | 116.4 | 59% | 0.587 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -65.3 | 127.8 | 162 | 51.5 | 0 | 0 | 0 | 0 | 109.1 | P590 P594 | P590-S592 PolarHBondContact O-N 2.72Å; S592-P594 VanDerWaalsContact O-N 3.12Å |
| 593 | K | 52.8 | Low | 65.3 | Low | 197 Ų | 197 | 116 Ų | 116 | 86% | 0.857 | 60% | 0.602 | S | S | * | * | trans | -42.1 | 122 | 174.8 | -64.7 | 176.9 | -178.9 | 177.1 | 0 | 109.6 | D595 | K593-D595 PolarHBondContact O-N 2.81Å; K593-D595 VanDerWaalsContact O-N 3.11Å | ||
| 594 | P | 54.3 | Low | 66.3 | Low | 72 Ų | 72 | 117.1 Ų | 117.1 | 47% | 0.468 | 60% | 0.6 | S | S | . | * | trans | -59.9 | 121.9 | 173.3 | 25 | -32.4 | 0 | 0 | 0 | 107 | S592 F596 | S592-P594 VanDerWaalsContact O-N 3.12Å; P594-F596 WeakPolarHBondContact O-CD1 3.45Å; P594-F596 PolarHBondContact O-N 2.99Å | ||
| 595 | D | 60.7 | Low | 67.5 | Low | 84 Ų | 84 | 114.4 Ų | 114.4 | 45% | 0.449 | 59% | 0.594 | S | S | . | * | trans | -79.6 | 73.4 | 177.6 | -166.3 | 5.4 | 0 | 0 | 0 | 109 | K593 R597 M598 E599 | K593-D595 PolarHBondContact O-N 2.81Å; K593-D595 VanDerWaalsContact O-N 3.11Å; D595-R597 PolarHBondContact O-N 3.27Å; D595-R597 VanDerWaalsContact OD1-CB 3.31Å; D595-R597 WeakPolarHBondContact OD1-CB 3.48Å; D595-R597 PolarHBondContact OD1-N 2.87Å; D595-M598 HydrophobicContact CB-CB 4.03Å; D595-M598 WeakPolarHBondContact O-CA 3.33Å; D595-M598 VanDerWaalsContact O-CB 3.32Å; D595-M598 WeakPolarHBondContact O-CB 3.44Å; D595-M598 PolarHBondContact O-N 3.35Å; D595-E599 PolarHBondContact O-N 2.8Å | ||
| 596 | F | 68.2 | Low | 68.7 | Low | 137 Ų | 137 | 108.4 Ų | 108.4 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -53.1 | -20.7 | 176.3 | 63.2 | -90.7 | 0 | 0 | 0 | 112.2 | P594 A600 | P594-F596 WeakPolarHBondContact O-CD1 3.45Å; P594-F596 PolarHBondContact O-N 2.99Å; F596-A600 WeakPolarHBondContact O-CB 3.24Å; F596-A600 PolarHBondContact O-N 3.25Å |
| 597 | R | 72.8 | Confident | 69.9 | Low | 162 Ų | 162 | 109.5 Ų | 109.5 | 61% | 0.611 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.6 | -48.8 | 171.6 | -54.2 | 176 | 166.5 | -164.9 | -7.4 | 110.4 | D595 E599 A600 F601 | D595-R597 PolarHBondContact O-N 3.27Å; D595-R597 VanDerWaalsContact OD1-CB 3.31Å; D595-R597 WeakPolarHBondContact OD1-CB 3.48Å; D595-R597 PolarHBondContact OD1-N 2.87Å; R597-E599 VanDerWaalsContact C-N 3.32Å; R597-E599 PolarHBondContact O-N 3.11Å; R597-A600 PolarHBondContact O-N 3.15Å; R597-F601 WeakPolarHBondContact O-CB 3.19Å; R597-F601 WeakPolarHBondContact O-CD2 3.29Å; R597-F601 WeakPolarHBondContact O-CG 3.38Å; R597-F601 PolarHBondContact O-N 3.29Å |
| 598 | M | 75.3 | Confident | 71.5 | Confident | 124 Ų | 124 | 105.3 Ų | 105.3 | 61% | 0.611 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.4 | -42.2 | 175.6 | -165.1 | 64.4 | 64.2 | 0 | 0 | 111.5 | D595 F601 A602 | D595-M598 HydrophobicContact CB-CB 4.03Å; D595-M598 WeakPolarHBondContact O-CA 3.33Å; D595-M598 VanDerWaalsContact O-CB 3.32Å; D595-M598 WeakPolarHBondContact O-CB 3.44Å; D595-M598 PolarHBondContact O-N 3.35Å; M598-F601 PolarHBondContact O-N 3.39Å; M598-A602 WeakPolarHBondContact O-CB 3.33Å; M598-A602 PolarHBondContact O-N 2.7Å |
| 599 | E | 77.4 | Confident | 73.5 | Confident | 143 Ų | 143 | 110 Ų | 110 | 67% | 0.668 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.9 | -44.3 | 176.6 | -171.3 | 167 | -155.4 | 0 | 0 | 112.1 | D595 R597 F601 A602 A603 | D595-E599 PolarHBondContact O-N 2.8Å; R597-E599 VanDerWaalsContact C-N 3.32Å; R597-E599 PolarHBondContact O-N 3.11Å; E599-F601 VanDerWaalsContact C-N 3.34Å; E599-F601 PolarHBondContact O-N 3.21Å; E599-A602 PolarHBondContact O-N 3.47Å; E599-A603 WeakPolarHBondContact O-CB 3.48Å; E599-A603 PolarHBondContact O-N 2.74Å |
| 600 | A | 79.5 | Confident | 75.2 | Confident | 46 Ų | 46 | 105.6 Ų | 105.6 | 38% | 0.38 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -34.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | F596 R597 R604 | F596-A600 WeakPolarHBondContact O-CB 3.24Å; F596-A600 PolarHBondContact O-N 3.25Å; R597-A600 PolarHBondContact O-N 3.15Å; A600-R604 WeakPolarHBondContact O-CB 3.33Å; A600-R604 WeakPolarHBondContact O-CG 3.37Å; A600-R604 PolarHBondContact O-N 3.03Å |
| 601 | F | 81 | Confident | 77.2 | Confident | 142 Ų | 142 | 106.4 Ų | 106.4 | 62% | 0.623 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.6 | -41.2 | 171.8 | -82.6 | -58.8 | 0 | 0 | 0 | 111.7 | R597 M598 E599 Q605 | R597-F601 WeakPolarHBondContact O-CB 3.19Å; R597-F601 WeakPolarHBondContact O-CD2 3.29Å; R597-F601 WeakPolarHBondContact O-CG 3.38Å; R597-F601 PolarHBondContact O-N 3.29Å; M598-F601 PolarHBondContact O-N 3.39Å; E599-F601 VanDerWaalsContact C-N 3.34Å; E599-F601 PolarHBondContact O-N 3.21Å; F601-Q605 VanDerWaalsContact O-CB 3.3Å; F601-Q605 WeakPolarHBondContact O-CB 3.38Å; F601-Q605 PolarHBondContact O-N 3.35Å |
| 602 | A | 83.7 | Confident | 79.1 | Confident | 60 Ų | 60 | 103 Ų | 103 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M598 E599 Q605 G606 | M598-A602 WeakPolarHBondContact O-CB 3.33Å; M598-A602 PolarHBondContact O-N 2.7Å; E599-A602 PolarHBondContact O-N 3.47Å; A602-Q605 PolarHBondContact O-N 2.92Å; A602-G606 PolarHBondContact O-N 2.93Å |
| 603 | A | 84.2 | Confident | 81 | Confident | 62 Ų | 62 | 105.8 Ų | 105.8 | 51% | 0.512 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -51.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E599 Q605 G606 E607 | E599-A603 WeakPolarHBondContact O-CB 3.48Å; E599-A603 PolarHBondContact O-N 2.74Å; A603-Q605 VanDerWaalsContact C-N 3.28Å; A603-Q605 PolarHBondContact O-N 2.97Å; A603-G606 WeakPolarHBondContact O-CA 3.42Å; A603-G606 PolarHBondContact O-N 3.23Å; A603-G606 VanDerWaalsContact O-N 3.08Å; A603-E607 WeakPolarHBondContact O-CB 3.45Å; A603-E607 PolarHBondContact O-N 3Å |
| 604 | R | 88 | Confident | 83 | Confident | 113 Ų | 113 | 100.3 Ų | 100.3 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -33.5 | 175.5 | -73.4 | 177.5 | 177.3 | -162.5 | -1.7 | 112.7 | A600 A608 | A600-R604 WeakPolarHBondContact O-CB 3.33Å; A600-R604 WeakPolarHBondContact O-CG 3.37Å; A600-R604 PolarHBondContact O-N 3.03Å; R604-A608 WeakPolarHBondContact O-CB 3.29Å; R604-A608 PolarHBondContact O-N 3.48Å |
| 605 | Q | 89.2 | Confident | 84.9 | Confident | 110 Ų | 110 | 105.6 Ų | 105.6 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.2 | -36 | 173.8 | -162.8 | -174 | 34.6 | 0 | 0 | 112 | F601 A602 A603 R609 | F601-Q605 VanDerWaalsContact O-CB 3.3Å; F601-Q605 WeakPolarHBondContact O-CB 3.38Å; F601-Q605 PolarHBondContact O-N 3.35Å; A602-Q605 PolarHBondContact O-N 2.92Å; A603-Q605 VanDerWaalsContact C-N 3.28Å; A603-Q605 PolarHBondContact O-N 2.97Å; Q605-R609 VanDerWaalsContact CD-NH2 3.34Å; Q605-R609 VanDerWaalsContact O-CG 3.27Å; Q605-R609 WeakPolarHBondContact O-CG 3.41Å; Q605-R609 PolarHBondContact O-N 3.47Å; Q605-R609 VanDerWaalsContact O-N 3.09Å |
| 606 | G | 89.4 | Confident | 86.5 | Confident | 37 Ų | 37 | 107.5 Ų | 107.5 | 38% | 0.381 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A602 A603 R609 A610 | A602-G606 PolarHBondContact O-N 2.93Å; A603-G606 WeakPolarHBondContact O-CA 3.42Å; A603-G606 PolarHBondContact O-N 3.23Å; A603-G606 VanDerWaalsContact O-N 3.08Å; G606-R609 PolarHBondContact O-N 3.31Å; G606-A610 WeakPolarHBondContact O-CB 3.28Å; G606-A610 PolarHBondContact O-N 2.77Å |
| 607 | E | 89.7 | Confident | 87.8 | Confident | 110 Ų | 110 | 103.2 Ų | 103.2 | 51% | 0.514 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.2 | -51.5 | 172.9 | -176.3 | -168.4 | 174.8 | 0 | 0 | 111.5 | A603 R609 A610 L611 | A603-E607 WeakPolarHBondContact O-CB 3.45Å; A603-E607 PolarHBondContact O-N 3Å; E607-R609 VanDerWaalsContact C-N 3.27Å; E607-R609 PolarHBondContact O-N 3.39Å; E607-A610 WeakPolarHBondContact O-CB 3.31Å; E607-A610 PolarHBondContact O-N 3.1Å; E607-L611 HydrophobicContact CG-CD1 4.14Å; E607-L611 WeakPolarHBondContact O-CG 3.4Å; E607-L611 PolarHBondContact O-N 2.82Å |
| 608 | A | 91.2 | Very high | 88.9 | Confident | 50 Ų | 50 | 104.3 Ų | 104.3 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.5 | -35.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | R604 L612 | R604-A608 WeakPolarHBondContact O-CB 3.29Å; R604-A608 PolarHBondContact O-N 3.48Å; A608-L612 VanDerWaalsContact O-CG 3.31Å; A608-L612 WeakPolarHBondContact O-CG 3.41Å; A608-L612 PolarHBondContact O-N 3.07Å; A608-L612 VanDerWaalsContact O-N 3.11Å |
| 609 | R | 92 | Very high | 89.8 | Confident | 158 Ų | 158 | 103 Ų | 103 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.9 | -38.6 | 173.4 | -70.2 | 173.1 | -168.4 | -158.4 | 9.3 | 112.1 | Q605 G606 E607 L612 K613 | Q605-R609 VanDerWaalsContact CD-NH2 3.34Å; Q605-R609 VanDerWaalsContact O-CG 3.27Å; Q605-R609 WeakPolarHBondContact O-CG 3.41Å; Q605-R609 PolarHBondContact O-N 3.47Å; Q605-R609 VanDerWaalsContact O-N 3.09Å; G606-R609 PolarHBondContact O-N 3.31Å; E607-R609 VanDerWaalsContact C-N 3.27Å; E607-R609 PolarHBondContact O-N 3.39Å; R609-L612 PolarHBondContact O-N 2.92Å; R609-K613 WeakPolarHBondContact O-CB 3.25Å; R609-K613 PolarHBondContact O-N 3.33Å |
| 610 | A | 91.8 | Very high | 90.6 | Very high | 58 Ų | 58 | 99.2 Ų | 99.2 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G606 E607 L612 K613 L614 | G606-A610 WeakPolarHBondContact O-CB 3.28Å; G606-A610 PolarHBondContact O-N 2.77Å; E607-A610 WeakPolarHBondContact O-CB 3.31Å; E607-A610 PolarHBondContact O-N 3.1Å; A610-L612 PolarHBondContact O-N 2.87Å; A610-K613 PolarHBondContact O-N 2.86Å; A610-L614 WeakPolarHBondContact O-CB 3.29Å; A610-L614 PolarHBondContact O-N 3.29Å |
| 611 | L | 93.7 | Very high | 91.3 | Very high | 101 Ų | 101 | 101.3 Ų | 101.3 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 175.4 | -69.7 | 172.6 | 0 | 0 | 0 | 112.5 | E607 R615 | E607-L611 HydrophobicContact CG-CD1 4.14Å; E607-L611 WeakPolarHBondContact O-CG 3.4Å; E607-L611 PolarHBondContact O-N 2.82Å; L611-R615 WeakPolarHBondContact O-CB 3.5Å; L611-R615 PolarHBondContact O-N 2.88Å |
| 612 | L | 92.4 | Very high | 92 | Very high | 114 Ų | 114 | 98.6 Ų | 98.6 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 172.3 | -76.5 | 170.8 | 0 | 0 | 0 | 111.7 | A608 R609 A610 R615 E616 | A608-L612 VanDerWaalsContact O-CG 3.31Å; A608-L612 WeakPolarHBondContact O-CG 3.41Å; A608-L612 PolarHBondContact O-N 3.07Å; A608-L612 VanDerWaalsContact O-N 3.11Å; R609-L612 PolarHBondContact O-N 2.92Å; A610-L612 PolarHBondContact O-N 2.87Å; L612-R615 WeakPolarHBondContact O-CB 3.42Å; L612-R615 PolarHBondContact O-N 3.37Å; L612-E616 PolarHBondContact O-N 3.05Å |
| 613 | K | 93.8 | Very high | 92.6 | Very high | 142 Ų | 142 | 101.9 Ų | 101.9 | 62% | 0.617 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | 177.2 | -167.4 | -179.5 | -179.3 | -171.1 | 0 | 112.2 | R609 A610 R615 E616 T617 | R609-K613 WeakPolarHBondContact O-CB 3.25Å; R609-K613 PolarHBondContact O-N 3.33Å; A610-K613 PolarHBondContact O-N 2.86Å; K613-R615 VanDerWaalsContact C-N 3.33Å; K613-E616 WeakPolarHBondContact O-CB 3.28Å; K613-E616 PolarHBondContact O-N 3.22Å; K613-T617 WeakPolarHBondContact O-CG2 3.41Å; K613-T617 PolarHBondContact O-N 2.82Å; K613-T617 PolarHBondContact O-OG1 3.24Å |
| 614 | L | 94.1 | Very high | 93.1 | Very high | 82 Ų | 82 | 102.8 Ų | 102.8 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -34.9 | 175 | -177.1 | 63.2 | 0 | 0 | 0 | 112 | A610 T617 R618 | A610-L614 WeakPolarHBondContact O-CB 3.29Å; A610-L614 PolarHBondContact O-N 3.29Å; L614-T617 PolarHBondContact O-OG1 3.42Å; L614-R618 VanDerWaalsContact O-CB 3.28Å; L614-R618 WeakPolarHBondContact O-CB 3.07Å; L614-R618 PolarHBondContact O-N 3.43Å |
| 615 | R | 95.2 | Very high | 93.5 | Very high | 182 Ų | 182 | 102 Ų | 102 | 69% | 0.687 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.8 | -40.7 | 171.6 | -175 | -178.3 | 177.9 | -158.4 | -1.3 | 111.6 | L611 L612 K613 M619 | L611-R615 WeakPolarHBondContact O-CB 3.5Å; L611-R615 PolarHBondContact O-N 2.88Å; L612-R615 WeakPolarHBondContact O-CB 3.42Å; L612-R615 PolarHBondContact O-N 3.37Å; K613-R615 VanDerWaalsContact C-N 3.33Å; R615-M619 WeakPolarHBondContact O-CG 3.39Å; R615-M619 PolarHBondContact O-N 2.87Å; R615-M619 VanDerWaalsContact O-N 3.08Å |
| 616 | E | 94.1 | Very high | 93.8 | Very high | 125 Ų | 125 | 99.4 Ų | 99.4 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -51.2 | 176 | -172.8 | 168.7 | -142.4 | 0 | 0 | 111.1 | L612 K613 R618 M619 D620 | L612-E616 PolarHBondContact O-N 3.05Å; K613-E616 WeakPolarHBondContact O-CB 3.28Å; K613-E616 PolarHBondContact O-N 3.22Å; E616-R618 VanDerWaalsContact C-N 3.35Å; E616-R618 PolarHBondContact O-N 3.25Å; E616-M619 CarbonylContact O-C 3.6Å; E616-M619 WeakPolarHBondContact O-CA 3.37Å; E616-M619 WeakPolarHBondContact O-CB 3.47Å; E616-M619 PolarHBondContact O-N 3.45Å; E616-D620 PolarHBondContact O-N 3.49Å |
| 617 | T | 95.9 | Very high | 94 | Very high | 47 Ų | 47 | 106.1 Ų | 106.1 | 29% | 0.288 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 177.1 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | K613 L614 M619 D620 V621 | K613-T617 WeakPolarHBondContact O-CG2 3.41Å; K613-T617 PolarHBondContact O-N 2.82Å; K613-T617 PolarHBondContact O-OG1 3.24Å; L614-T617 PolarHBondContact O-OG1 3.42Å; T617-M619 VanDerWaalsContact C-N 3.29Å; T617-M619 PolarHBondContact O-N 3.02Å; T617-D620 WeakPolarHBondContact O-CB 3.46Å; T617-D620 PolarHBondContact O-N 2.98Å; T617-D620 VanDerWaalsContact O-N 3.17Å; T617-V621 WeakPolarHBondContact O-CG2 3.37Å; T617-V621 PolarHBondContact O-N 2.89Å |
| 618 | R | 95.8 | Very high | 94.3 | Very high | 184 Ų | 184 | 104.1 Ų | 104.1 | 69% | 0.694 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.6 | -36.6 | 172.4 | -173.1 | 174 | -179.8 | 177.6 | 1 | 112.2 | L614 E616 L622 | L614-R618 VanDerWaalsContact O-CB 3.28Å; L614-R618 WeakPolarHBondContact O-CB 3.07Å; L614-R618 PolarHBondContact O-N 3.43Å; E616-R618 VanDerWaalsContact C-N 3.35Å; E616-R618 PolarHBondContact O-N 3.25Å; R618-L622 WeakPolarHBondContact O-CG 3.43Å; R618-L622 PolarHBondContact O-N 3.45Å; R618-L622 VanDerWaalsContact O-N 3.17Å |
| 619 | M | 93 | Very high | 94.4 | Very high | 97 Ų | 97 | 107 Ų | 107 | 48% | 0.478 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74 | -29.2 | 174.2 | -69.3 | -59.6 | -55.3 | 0 | 0 | 113 | R615 E616 T617 L622 R623 | R615-M619 WeakPolarHBondContact O-CG 3.39Å; R615-M619 PolarHBondContact O-N 2.87Å; R615-M619 VanDerWaalsContact O-N 3.08Å; E616-M619 CarbonylContact O-C 3.6Å; E616-M619 WeakPolarHBondContact O-CA 3.37Å; E616-M619 WeakPolarHBondContact O-CB 3.47Å; E616-M619 PolarHBondContact O-N 3.45Å; T617-M619 VanDerWaalsContact C-N 3.29Å; T617-M619 PolarHBondContact O-N 3.02Å; M619-L622 HydrophobicContact SD-CD1 4.29Å; M619-R623 PolarHBondContact O-N 3Å; M619-R623 PolarHBondContact O-NE 3.02Å; M619-R623 PolarHBondContact O-NH2 2.78Å |
| 620 | D | 94.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 103 Ų | 103 | 34% | 0.342 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -47.4 | 169.7 | -72.3 | -41 | 0 | 0 | 0 | 111.3 | E616 T617 L622 R623 V624 | E616-D620 PolarHBondContact O-N 3.49Å; T617-D620 WeakPolarHBondContact O-CB 3.46Å; T617-D620 PolarHBondContact O-N 2.98Å; T617-D620 VanDerWaalsContact O-N 3.17Å; D620-L622 VanDerWaalsContact C-N 3.33Å; D620-L622 PolarHBondContact O-N 2.86Å; D620-R623 CarbonylContact O-C 3.55Å; D620-R623 WeakPolarHBondContact O-CA 3.47Å; D620-R623 WeakPolarHBondContact O-CB 3.46Å; D620-R623 PolarHBondContact O-N 3.26Å; D620-R623 IonicContact OD1-CZ 3.51Å; D620-R623 IonicContact OD1-NH1 2.74Å; D620-R623 PolarHBondContact OD1-NH1 2.84Å; D620-R623 IonicContact OD1-NH2 2.7Å; D620-R623 PolarHBondContact OD1-NH2 2.73Å; D620-V624 WeakPolarHBondContact O-CG2 3.32Å; D620-V624 PolarHBondContact O-N 2.81Å |
| 621 | V | 95.9 | Very high | 94.7 | Very high | 90 Ų | 90 | 104.4 Ų | 104.4 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.6 | -45.5 | 177.6 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | T617 R623 V624 Q625 | T617-V621 WeakPolarHBondContact O-CG2 3.37Å; T617-V621 PolarHBondContact O-N 2.89Å; V621-R623 VanDerWaalsContact C-N 3.31Å; V621-R623 PolarHBondContact O-N 3.22Å; V621-V624 PolarHBondContact O-N 3.04Å; V621-Q625 WeakPolarHBondContact O-CB 3.34Å; V621-Q625 PolarHBondContact O-N 2.89Å |
| 622 | L | 94.8 | Very high | 94.8 | Very high | 84 Ų | 84 | 104.3 Ų | 104.3 | 44% | 0.44 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -34.4 | 175.1 | -70.2 | 170 | 0 | 0 | 0 | 113 | R618 M619 D620 S626 | R618-L622 WeakPolarHBondContact O-CG 3.43Å; R618-L622 PolarHBondContact O-N 3.45Å; R618-L622 VanDerWaalsContact O-N 3.17Å; M619-L622 HydrophobicContact SD-CD1 4.29Å; D620-L622 VanDerWaalsContact C-N 3.33Å; D620-L622 PolarHBondContact O-N 2.86Å; L622-S626 PolarHBondContact O-N 2.95Å; L622-S626 VanDerWaalsContact O-N 3.11Å; L622-S626 PolarHBondContact O-OG 3.27Å |
| 623 | R | 95.3 | Very high | 94.9 | Very high | 129 Ų | 129 | 106.5 Ų | 106.5 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.2 | -34.3 | 173.5 | -92.1 | -177.8 | -77.2 | 106 | 1.5 | 113 | M619 D620 V621 S626 R627 | M619-R623 PolarHBondContact O-N 3Å; M619-R623 PolarHBondContact O-NE 3.02Å; M619-R623 PolarHBondContact O-NH2 2.78Å; D620-R623 CarbonylContact O-C 3.55Å; D620-R623 WeakPolarHBondContact O-CA 3.47Å; D620-R623 WeakPolarHBondContact O-CB 3.46Å; D620-R623 PolarHBondContact O-N 3.26Å; D620-R623 IonicContact OD1-CZ 3.51Å; D620-R623 IonicContact OD1-NH1 2.74Å; D620-R623 PolarHBondContact OD1-NH1 2.84Å; D620-R623 IonicContact OD1-NH2 2.7Å; D620-R623 PolarHBondContact OD1-NH2 2.73Å; V621-R623 VanDerWaalsContact C-N 3.31Å; V621-R623 PolarHBondContact O-N 3.22Å; R623-S626 PolarHBondContact O-OG 3.29Å; R623-R627 WeakPolarHBondContact O-CG 3.25Å; R623-R627 PolarHBondContact O-N 3.11Å |
| 624 | V | 96 | Very high | 95 | Very high | 81 Ų | 81 | 104.9 Ų | 104.9 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.8 | -46.7 | 173.1 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | D620 V621 S626 R627 C628 | D620-V624 WeakPolarHBondContact O-CG2 3.32Å; D620-V624 PolarHBondContact O-N 2.81Å; V621-V624 PolarHBondContact O-N 3.04Å; V624-S626 PolarHBondContact O-N 3.28Å; V624-R627 CarbonylContact O-C 3.53Å; V624-R627 WeakPolarHBondContact O-CA 3.23Å; V624-R627 WeakPolarHBondContact O-CB 3.48Å; V624-R627 PolarHBondContact O-N 2.62Å; V624-C628 PolarHBondContact O-N 2.99Å; V624-C628 PolarHBondContact O-SG 3.33Å |
| 625 | Q | 96 | Very high | 95.1 | Very high | 97 Ų | 97 | 104.5 Ų | 104.5 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 177.9 | -171.4 | 179.9 | 13.7 | 0 | 0 | 112.3 | V621 R627 C628 Q629 | V621-Q625 WeakPolarHBondContact O-CB 3.34Å; V621-Q625 PolarHBondContact O-N 2.89Å; Q625-R627 VanDerWaalsContact C-N 3.34Å; Q625-R627 PolarHBondContact O-N 2.96Å; Q625-C628 PolarHBondContact O-N 2.97Å; Q625-Q629 WeakPolarHBondContact O-CB 3.27Å; Q625-Q629 WeakPolarHBondContact O-CG 3.46Å; Q625-Q629 PolarHBondContact O-N 3.29Å |
| 626 | S | 94.5 | Very high | 95 | Very high | 56 Ų | 56 | 99.4 Ų | 99.4 | 39% | 0.392 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69 | -29.4 | 177.2 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | L622 R623 V624 T630 | L622-S626 PolarHBondContact O-N 2.95Å; L622-S626 VanDerWaalsContact O-N 3.11Å; L622-S626 PolarHBondContact O-OG 3.27Å; R623-S626 PolarHBondContact O-OG 3.29Å; V624-S626 PolarHBondContact O-N 3.28Å; S626-T630 WeakPolarHBondContact O-CB 3.31Å; S626-T630 PolarHBondContact O-N 3.46Å; S626-T630 PolarHBondContact O-OG1 2.95Å |
| 627 | R | 94.7 | Very high | 95.1 | Very high | 177 Ų | 177 | 101.7 Ų | 101.7 | 67% | 0.668 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.4 | -48 | 168.8 | -72.9 | 175.5 | 67.4 | -161.6 | -2.7 | 111.2 | R623 V624 Q625 Q629 T630 L631 | R623-R627 WeakPolarHBondContact O-CG 3.25Å; R623-R627 PolarHBondContact O-N 3.11Å; V624-R627 CarbonylContact O-C 3.53Å; V624-R627 WeakPolarHBondContact O-CA 3.23Å; V624-R627 WeakPolarHBondContact O-CB 3.48Å; V624-R627 PolarHBondContact O-N 2.62Å; Q625-R627 VanDerWaalsContact C-N 3.34Å; Q625-R627 PolarHBondContact O-N 2.96Å; R627-Q629 PolarHBondContact O-N 3.06Å; R627-T630 CarbonylContact O-C 3.59Å; R627-T630 WeakPolarHBondContact O-CA 3.35Å; R627-T630 PolarHBondContact O-N 3.22Å; R627-L631 PolarHBondContact O-N 3.1Å |
| 628 | C | 94.8 | Very high | 95.1 | Very high | 68 Ų | 68 | 103.8 Ų | 103.8 | 46% | 0.459 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 176.9 | -65 | 0 | 0 | 0 | 0 | 112.2 | V624 Q625 T630 L631 Q632 | V624-C628 PolarHBondContact O-N 2.99Å; V624-C628 PolarHBondContact O-SG 3.33Å; Q625-C628 PolarHBondContact O-N 2.97Å; C628-T630 PolarHBondContact O-N 3.47Å; C628-L631 PolarHBondContact O-N 3.48Å; C628-Q632 WeakPolarHBondContact O-CB 3.36Å; C628-Q632 PolarHBondContact O-N 3.11Å |
| 629 | Q | 95.1 | Very high | 95.1 | Very high | 110 Ų | 110 | 100.6 Ų | 100.6 | 51% | 0.514 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -23.3 | 173.6 | -74.5 | 176.5 | -15.4 | 0 | 0 | 113.7 | Q625 R627 R633 | Q625-Q629 WeakPolarHBondContact O-CB 3.27Å; Q625-Q629 WeakPolarHBondContact O-CG 3.46Å; Q625-Q629 PolarHBondContact O-N 3.29Å; R627-Q629 PolarHBondContact O-N 3.06Å; Q629-R633 WeakPolarHBondContact O-CG 3.37Å; Q629-R633 PolarHBondContact O-NE 2.77Å |
| 630 | T | 94.4 | Very high | 95.1 | Very high | 75 Ų | 75 | 98.9 Ų | 98.9 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -88.5 | -34.8 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | S626 R627 C628 R633 H634 | S626-T630 WeakPolarHBondContact O-CB 3.31Å; S626-T630 PolarHBondContact O-N 3.46Å; S626-T630 PolarHBondContact O-OG1 2.95Å; R627-T630 CarbonylContact O-C 3.59Å; R627-T630 WeakPolarHBondContact O-CA 3.35Å; R627-T630 PolarHBondContact O-N 3.22Å; C628-T630 PolarHBondContact O-N 3.47Å; T630-R633 PolarHBondContact OG1-NH2 3.35Å; T630-H634 PolarHBondContact O-N 3.11Å |
| 631 | L | 95.3 | Very high | 95.1 | Very high | 88 Ų | 88 | 99.3 Ų | 99.3 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 169.6 | -69.9 | 171.4 | 0 | 0 | 0 | 111.6 | R627 C628 R633 H634 I635 | R627-L631 PolarHBondContact O-N 3.1Å; C628-L631 PolarHBondContact O-N 3.48Å; L631-R633 PolarHBondContact O-N 3.06Å; L631-H634 CarbonylContact O-C 3.59Å; L631-H634 WeakPolarHBondContact O-CA 3.42Å; L631-H634 WeakPolarHBondContact O-CB 3.49Å; L631-H634 PolarHBondContact O-N 3.31Å; L631-I635 WeakPolarHBondContact O-CG1 3.4Å; L631-I635 PolarHBondContact O-N 2.84Å |
| 632 | Q | 95.7 | Very high | 95 | Very high | 99 Ų | 99 | 99.7 Ų | 99.7 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.9 | -52.9 | 175.8 | -170.7 | 62.7 | 56.5 | 0 | 0 | 110.9 | C628 H634 I635 D636 | C628-Q632 WeakPolarHBondContact O-CB 3.36Å; C628-Q632 PolarHBondContact O-N 3.11Å; Q632-H634 PolarHBondContact O-N 3.31Å; Q632-I635 CarbonylContact O-C 3.55Å; Q632-I635 WeakPolarHBondContact O-CA 3.41Å; Q632-I635 WeakPolarHBondContact O-CB 3.42Å; Q632-I635 PolarHBondContact O-N 3.29Å; Q632-D636 PolarHBondContact NE2-OD1 3.07Å; Q632-D636 PolarHBondContact O-N 3.04Å; Q632-D636 VanDerWaalsContact O-OD1 3.13Å |
| 633 | R | 94.6 | Very high | 94.9 | Very high | 159 Ų | 159 | 99.6 Ų | 99.6 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.4 | -20.5 | 175.6 | -69.9 | 179 | -65.8 | 163.8 | 3.3 | 114.2 | Q629 T630 L631 D636 R637 | Q629-R633 WeakPolarHBondContact O-CG 3.37Å; Q629-R633 PolarHBondContact O-NE 2.77Å; T630-R633 PolarHBondContact OG1-NH2 3.35Å; L631-R633 PolarHBondContact O-N 3.06Å; R633-D636 WeakPolarHBondContact CA-OD2 3.23Å; R633-R637 WeakPolarHBondContact O-CB 3.42Å |
| 634 | H | 96.1 | Very high | 94.8 | Very high | 108 Ų | 108 | 100 Ų | 100 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -82.7 | -40.2 | 172 | -167.2 | -90.9 | 0 | 0 | 0 | 111.8 | T630 L631 Q632 R637 L638 | T630-H634 PolarHBondContact O-N 3.11Å; L631-H634 CarbonylContact O-C 3.59Å; L631-H634 WeakPolarHBondContact O-CA 3.42Å; L631-H634 WeakPolarHBondContact O-CB 3.49Å; L631-H634 PolarHBondContact O-N 3.31Å; Q632-H634 PolarHBondContact O-N 3.31Å; H634-R637 PolarHBondContact O-N 3.33Å; H634-L638 WeakPolarHBondContact O-CG 3.42Å; H634-L638 PolarHBondContact O-N 3.19Å |
| 635 | I | 94.8 | Very high | 94.7 | Very high | 74 Ų | 74 | 103.1 Ų | 103.1 | 38% | 0.379 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -52.8 | 172.7 | -66.7 | 164.2 | 0 | 0 | 0 | 109.9 | L631 Q632 R637 L638 E639 | L631-I635 WeakPolarHBondContact O-CG1 3.4Å; L631-I635 PolarHBondContact O-N 2.84Å; Q632-I635 CarbonylContact O-C 3.55Å; Q632-I635 WeakPolarHBondContact O-CA 3.41Å; Q632-I635 WeakPolarHBondContact O-CB 3.42Å; Q632-I635 PolarHBondContact O-N 3.29Å; I635-R637 PolarHBondContact O-N 2.95Å; I635-R637 VanDerWaalsContact O-N 3.1Å; I635-L638 CarbonylContact O-C 3.56Å; I635-L638 WeakPolarHBondContact O-CA 3.28Å; I635-L638 PolarHBondContact O-N 3Å; I635-E639 HydrophobicContact CG2-CG 4.25Å; I635-E639 WeakPolarHBondContact CG2-OE1 3.26Å; I635-E639 WeakPolarHBondContact O-CG 3.46Å; I635-E639 PolarHBondContact O-N 3.47Å |
| 636 | D | 94.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 102.8 Ų | 102.8 | 40% | 0.401 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -52.2 | -39.1 | 177.7 | -48.5 | -27.5 | 0 | 0 | 0 | 111.4 | Q632 R633 A640 | Q632-D636 PolarHBondContact NE2-OD1 3.07Å; Q632-D636 PolarHBondContact O-N 3.04Å; Q632-D636 VanDerWaalsContact O-OD1 3.13Å; R633-D636 WeakPolarHBondContact CA-OD2 3.23Å; D636-A640 WeakPolarHBondContact O-CB 3.48Å; D636-A640 PolarHBondContact O-N 3.14Å |
| 637 | R | 95.9 | Very high | 94.4 | Very high | 174 Ų | 174 | 103.1 Ų | 103.1 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.4 | -40.1 | 177.2 | -176.8 | 178.3 | -179.3 | 176.7 | 1.2 | 112.6 | R633 H634 I635 I641 | R633-R637 WeakPolarHBondContact O-CB 3.42Å; H634-R637 PolarHBondContact O-N 3.33Å; I635-R637 PolarHBondContact O-N 2.95Å; I635-R637 VanDerWaalsContact O-N 3.1Å; R637-I641 HydrophobicContact CG-CD1 4.06Å; R637-I641 WeakPolarHBondContact O-CD1 3.45Å; R637-I641 VanDerWaalsContact O-CG1 3.25Å; R637-I641 WeakPolarHBondContact O-CG1 3.37Å; R637-I641 PolarHBondContact O-N 2.99Å |
| 638 | L | 95.6 | Very high | 94.3 | Very high | 91 Ų | 91 | 100 Ų | 100 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 174.9 | -74.1 | 177.4 | 0 | 0 | 0 | 111.3 | H634 I635 I641 N642 | H634-L638 WeakPolarHBondContact O-CG 3.42Å; H634-L638 PolarHBondContact O-N 3.19Å; I635-L638 CarbonylContact O-C 3.56Å; I635-L638 WeakPolarHBondContact O-CA 3.28Å; I635-L638 PolarHBondContact O-N 3Å; L638-I641 PolarHBondContact O-N 3.32Å; L638-N642 VanDerWaalsContact O-CB 3.27Å; L638-N642 WeakPolarHBondContact O-CB 3.49Å; L638-N642 PolarHBondContact O-N 3.41Å |
| 639 | E | 95.1 | Very high | 94.2 | Very high | 117 Ų | 117 | 101.8 Ų | 101.8 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.1 | -71.3 | -178.3 | 179.2 | 0 | 0 | 111.6 | I635 N642 S643 | I635-E639 HydrophobicContact CG2-CG 4.25Å; I635-E639 WeakPolarHBondContact CG2-OE1 3.26Å; I635-E639 WeakPolarHBondContact O-CG 3.46Å; I635-E639 PolarHBondContact O-N 3.47Å; E639-N642 PolarHBondContact O-N 2.84Å; E639-S643 WeakPolarHBondContact O-CB 3.32Å; E639-S643 PolarHBondContact O-N 3.42Å; E639-S643 PolarHBondContact O-OG 2.74Å |
| 640 | A | 93.5 | Very high | 94 | Very high | 61 Ų | 61 | 102.7 Ų | 102.7 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D636 F644 | D636-A640 WeakPolarHBondContact O-CB 3.48Å; D636-A640 PolarHBondContact O-N 3.14Å; A640-F644 PolarHBondContact O-N 2.95Å |
| 641 | I | 94.3 | Very high | 94 | Very high | 72 Ų | 72 | 104.3 Ų | 104.3 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -39 | 175.1 | -70.3 | 165.7 | 0 | 0 | 0 | 111.1 | R637 L638 F644 R645 | R637-I641 HydrophobicContact CG-CD1 4.06Å; R637-I641 WeakPolarHBondContact O-CD1 3.45Å; R637-I641 VanDerWaalsContact O-CG1 3.25Å; R637-I641 WeakPolarHBondContact O-CG1 3.37Å; R637-I641 PolarHBondContact O-N 2.99Å; L638-I641 PolarHBondContact O-N 3.32Å; I641-F644 PolarHBondContact O-N 3.49Å; I641-R645 WeakPolarHBondContact O-CG 3.37Å; I641-R645 PolarHBondContact O-N 3.21Å |
| 642 | N | 93.8 | Very high | 93.9 | Very high | 99 Ų | 99 | 102.7 Ų | 102.7 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -43.5 | 179 | -164.6 | 24.3 | 0 | 0 | 0 | 111.2 | L638 E639 F644 R645 M646 | L638-N642 VanDerWaalsContact O-CB 3.27Å; L638-N642 WeakPolarHBondContact O-CB 3.49Å; L638-N642 PolarHBondContact O-N 3.41Å; E639-N642 PolarHBondContact O-N 2.84Å; N642-F644 VanDerWaalsContact C-N 3.32Å; N642-F644 PolarHBondContact O-N 3.31Å; N642-R645 PolarHBondContact O-N 3.2Å; N642-M646 WeakPolarHBondContact O-CG 3.48Å; N642-M646 PolarHBondContact O-N 3.47Å |
| 643 | S | 93.2 | Very high | 93.8 | Very high | 82 Ų | 82 | 101.2 Ų | 101.2 | 57% | 0.573 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.9 | -41.9 | 173.3 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | E639 M646 S647 | E639-S643 WeakPolarHBondContact O-CB 3.32Å; E639-S643 PolarHBondContact O-N 3.42Å; E639-S643 PolarHBondContact O-OG 2.74Å; S643-M646 PolarHBondContact O-N 2.97Å; S643-S647 PolarHBondContact O-N 2.96Å; S643-S647 VanDerWaalsContact O-N 3.12Å |
| 644 | F | 92.8 | Very high | 93.7 | Very high | 138 Ų | 138 | 96.1 Ų | 96.1 | 61% | 0.605 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.1 | -48.6 | 173.6 | 179.1 | -88.4 | 0 | 0 | 0 | 111.9 | A640 I641 N642 M646 S647 E648 | A640-F644 PolarHBondContact O-N 2.95Å; I641-F644 PolarHBondContact O-N 3.49Å; N642-F644 VanDerWaalsContact C-N 3.32Å; N642-F644 PolarHBondContact O-N 3.31Å; F644-M646 VanDerWaalsContact C-N 3.3Å; F644-M646 PolarHBondContact O-N 3.27Å; F644-S647 WeakPolarHBondContact O-CB 3.47Å; F644-S647 PolarHBondContact O-N 3.05Å; F644-E648 PolarHBondContact O-N 3.42Å |
| 645 | R | 94.9 | Very high | 93.7 | Very high | 145 Ų | 145 | 94.2 Ų | 94.2 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -33.6 | 177.8 | -77 | 177.7 | 169.4 | -167.4 | -5.4 | 113 | I641 N642 E648 L649 | I641-R645 WeakPolarHBondContact O-CG 3.37Å; I641-R645 PolarHBondContact O-N 3.21Å; N642-R645 PolarHBondContact O-N 3.2Å; R645-E648 PolarHBondContact O-N 3.19Å; R645-L649 WeakPolarHBondContact O-CB 3.22Å; R645-L649 VanDerWaalsContact O-CG 3.25Å; R645-L649 WeakPolarHBondContact O-CG 3.41Å; R645-L649 PolarHBondContact O-N 3.18Å |
| 646 | M | 90.2 | Very high | 93.5 | Very high | 90 Ų | 90 | 93.8 Ų | 93.8 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 173.7 | -74.7 | -57.6 | -54.2 | 0 | 0 | 111.5 | N642 S643 F644 L649 E650 | N642-M646 WeakPolarHBondContact O-CG 3.48Å; N642-M646 PolarHBondContact O-N 3.47Å; S643-M646 PolarHBondContact O-N 2.97Å; F644-M646 VanDerWaalsContact C-N 3.3Å; F644-M646 PolarHBondContact O-N 3.27Å; M646-L649 PolarHBondContact O-N 3.01Å; M646-L649 HydrophobicContact SD-CD1 4.28Å; M646-E650 WeakPolarHBondContact O-CG 3.38Å; M646-E650 PolarHBondContact O-N 3.38Å |
| 647 | S | 93.2 | Very high | 93.4 | Very high | 63 Ų | 63 | 98.4 Ų | 98.4 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 172.5 | -168.1 | 0 | 0 | 0 | 0 | 111.9 | S643 F644 L649 E650 D651 | S643-S647 PolarHBondContact O-N 2.96Å; S643-S647 VanDerWaalsContact O-N 3.12Å; F644-S647 WeakPolarHBondContact O-CB 3.47Å; F644-S647 PolarHBondContact O-N 3.05Å; S647-L649 VanDerWaalsContact C-N 3.32Å; S647-L649 PolarHBondContact O-N 3.27Å; S647-E650 PolarHBondContact O-N 3.17Å; S647-D651 PolarHBondContact O-N 3.2Å |
| 648 | E | 91.8 | Very high | 93.3 | Very high | 113 Ų | 113 | 95.5 Ų | 95.5 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 176.9 | -174.6 | 175.6 | -155.5 | 0 | 0 | 112.1 | F644 R645 A652 | F644-E648 PolarHBondContact O-N 3.42Å; R645-E648 PolarHBondContact O-N 3.19Å; E648-A652 VanDerWaalsContact O-CB 3.28Å; E648-A652 WeakPolarHBondContact O-CB 3.36Å; E648-A652 PolarHBondContact O-N 2.83Å |
| 649 | L | 92.4 | Very high | 93.2 | Very high | 104 Ų | 104 | 95 Ų | 95 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 173.4 | -74.7 | 168.3 | 0 | 0 | 0 | 112.7 | R645 M646 S647 A652 V653 | R645-L649 WeakPolarHBondContact O-CB 3.22Å; R645-L649 VanDerWaalsContact O-CG 3.25Å; R645-L649 WeakPolarHBondContact O-CG 3.41Å; R645-L649 PolarHBondContact O-N 3.18Å; M646-L649 PolarHBondContact O-N 3.01Å; M646-L649 HydrophobicContact SD-CD1 4.28Å; S647-L649 VanDerWaalsContact C-N 3.32Å; S647-L649 PolarHBondContact O-N 3.27Å; L649-A652 PolarHBondContact O-N 3Å; L649-V653 WeakPolarHBondContact O-CB 3.13Å; L649-V653 VanDerWaalsContact O-CG2 3.28Å; L649-V653 WeakPolarHBondContact O-CG2 3.44Å; L649-V653 PolarHBondContact O-N 3.2Å |
| 650 | E | 92.8 | Very high | 93.2 | Very high | 130 Ų | 130 | 95.9 Ų | 95.9 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 175.3 | -75.6 | 178.4 | -173.8 | 0 | 0 | 111.5 | M646 S647 V653 A654 | M646-E650 WeakPolarHBondContact O-CG 3.38Å; M646-E650 PolarHBondContact O-N 3.38Å; S647-E650 PolarHBondContact O-N 3.17Å; E650-V653 PolarHBondContact O-N 3.38Å; E650-A654 WeakPolarHBondContact O-CB 3.32Å; E650-A654 PolarHBondContact O-N 2.81Å |
| 651 | D | 94.2 | Very high | 93.2 | Very high | 108 Ų | 108 | 96.9 Ų | 96.9 | 58% | 0.578 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 173.2 | -77.7 | -30.9 | 0 | 0 | 0 | 111.9 | S647 V653 A654 N655 | S647-D651 PolarHBondContact O-N 3.2Å; D651-V653 PolarHBondContact O-N 3.03Å; D651-A654 PolarHBondContact O-N 3.22Å; D651-N655 WeakPolarHBondContact O-CB 3.27Å; D651-N655 PolarHBondContact O-N 2.88Å |
| 652 | A | 93.1 | Very high | 93.1 | Very high | 55 Ų | 55 | 98.5 Ų | 98.5 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | E648 L649 N655 D656 | E648-A652 VanDerWaalsContact O-CB 3.28Å; E648-A652 WeakPolarHBondContact O-CB 3.36Å; E648-A652 PolarHBondContact O-N 2.83Å; L649-A652 PolarHBondContact O-N 3Å; A652-N655 PolarHBondContact O-N 3.41Å; A652-D656 WeakPolarHBondContact O-CB 3.48Å; A652-D656 PolarHBondContact O-N 3.38Å |
| 653 | V | 93.7 | Very high | 93 | Very high | 68 Ų | 68 | 98 Ų | 98 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71 | -32.2 | 174.8 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | L649 E650 D651 R657 | L649-V653 WeakPolarHBondContact O-CB 3.13Å; L649-V653 VanDerWaalsContact O-CG2 3.28Å; L649-V653 WeakPolarHBondContact O-CG2 3.44Å; L649-V653 PolarHBondContact O-N 3.2Å; E650-V653 PolarHBondContact O-N 3.38Å; D651-V653 PolarHBondContact O-N 3.03Å; V653-R657 WeakPolarHBondContact O-CD 3.34Å; V653-R657 VanDerWaalsContact O-CG 3.24Å; V653-R657 WeakPolarHBondContact O-CG 3.44Å; V653-R657 PolarHBondContact O-N 3.26Å |
| 654 | A | 92.8 | Very high | 93 | Very high | 52 Ų | 52 | 99.6 Ų | 99.6 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E650 D651 R657 E658 | E650-A654 WeakPolarHBondContact O-CB 3.32Å; E650-A654 PolarHBondContact O-N 2.81Å; D651-A654 PolarHBondContact O-N 3.22Å; A654-R657 WeakPolarHBondContact O-CB 3.39Å; A654-R657 PolarHBondContact O-N 3.49Å; A654-E658 PolarHBondContact O-N 3.33Å |
| 655 | N | 94.1 | Very high | 93 | Very high | 68 Ų | 68 | 97.4 Ų | 97.4 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 176.8 | -172.2 | 8.5 | 0 | 0 | 0 | 112.2 | D651 A652 R657 E658 L659 | D651-N655 WeakPolarHBondContact O-CB 3.27Å; D651-N655 PolarHBondContact O-N 2.88Å; A652-N655 PolarHBondContact O-N 3.41Å; N655-R657 VanDerWaalsContact C-N 3.28Å; N655-R657 PolarHBondContact O-N 2.9Å; N655-E658 PolarHBondContact O-N 2.89Å; N655-E658 VanDerWaalsContact O-N 3.14Å; N655-L659 WeakPolarHBondContact O-CB 3.35Å; N655-L659 WeakPolarHBondContact O-CG 3.45Å; N655-L659 PolarHBondContact O-N 3.21Å; N655-L659 WeakPolarHBondContact OD1-CD1 3.36Å |
| 656 | D | 92.3 | Very high | 93.1 | Very high | 64 Ų | 64 | 94.9 Ų | 94.9 | 34% | 0.342 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.9 | -39.7 | 173.2 | 172.7 | 85.1 | 0 | 0 | 0 | 112.4 | A652 R660 | A652-D656 WeakPolarHBondContact O-CB 3.48Å; A652-D656 PolarHBondContact O-N 3.38Å; D656-R660 WeakPolarHBondContact O-CB 3.29Å; D656-R660 WeakPolarHBondContact O-CG 3.22Å; D656-R660 PolarHBondContact O-N 2.98Å; D656-R660 IonicContact OD1-CZ 3.71Å; D656-R660 VanDerWaalsContact OD1-CZ 3.27Å; D656-R660 IonicContact OD1-NE 2.7Å; D656-R660 PolarHBondContact OD1-NE 2.89Å; D656-R660 IonicContact OD1-NH2 2.8Å; D656-R660 PolarHBondContact OD1-NH2 2.78Å; D656-R660 IonicContact OD2-CZ 3.37Å; D656-R660 IonicContact OD2-NE 3.6Å; D656-R660 PolarHBondContact OD2-NE 3.02Å; D656-R660 IonicContact OD2-NH2 3.72Å |
| 657 | R | 92.1 | Very high | 93.2 | Very high | 173 Ų | 173 | 96.2 Ų | 96.2 | 65% | 0.653 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.7 | -39.2 | 175.7 | -69.8 | 166.4 | -176.8 | -174.6 | 3.8 | 112.6 | V653 A654 N655 Q661 | V653-R657 WeakPolarHBondContact O-CD 3.34Å; V653-R657 VanDerWaalsContact O-CG 3.24Å; V653-R657 WeakPolarHBondContact O-CG 3.44Å; V653-R657 PolarHBondContact O-N 3.26Å; A654-R657 WeakPolarHBondContact O-CB 3.39Å; A654-R657 PolarHBondContact O-N 3.49Å; N655-R657 VanDerWaalsContact C-N 3.28Å; N655-R657 PolarHBondContact O-N 2.9Å; R657-Q661 PolarHBondContact O-N 3.14Å; R657-Q661 VanDerWaalsContact O-N 3.12Å |
| 658 | E | 92.9 | Very high | 93.2 | Very high | 113 Ų | 113 | 97.9 Ų | 97.9 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -51.3 | 176.3 | -175.2 | 161.5 | -152 | 0 | 0 | 111 | A654 N655 R660 Q661 E662 | A654-E658 PolarHBondContact O-N 3.33Å; N655-E658 PolarHBondContact O-N 2.89Å; N655-E658 VanDerWaalsContact O-N 3.14Å; E658-R660 VanDerWaalsContact C-N 3.31Å; E658-R660 PolarHBondContact O-N 3.37Å; E658-Q661 CarbonylContact O-C 3.57Å; E658-Q661 WeakPolarHBondContact O-CA 3.35Å; E658-Q661 WeakPolarHBondContact O-CB 3.44Å; E658-Q661 PolarHBondContact O-N 2.9Å; E658-E662 PolarHBondContact O-N 3.49Å |
| 659 | L | 95.1 | Very high | 93.3 | Very high | 81 Ų | 81 | 97.8 Ų | 97.8 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -39.2 | 175.5 | -69.3 | 169.6 | 0 | 0 | 0 | 112.4 | N655 Q661 E662 I663 | N655-L659 WeakPolarHBondContact O-CB 3.35Å; N655-L659 WeakPolarHBondContact O-CG 3.45Å; N655-L659 PolarHBondContact O-N 3.21Å; N655-L659 WeakPolarHBondContact OD1-CD1 3.36Å; L659-Q661 VanDerWaalsContact C-N 3.29Å; L659-Q661 PolarHBondContact O-N 3.42Å; L659-E662 PolarHBondContact O-N 3.44Å; L659-I663 WeakPolarHBondContact O-CB 3.33Å; L659-I663 VanDerWaalsContact O-CG1 3.26Å; L659-I663 WeakPolarHBondContact O-CG1 3.47Å; L659-I663 PolarHBondContact O-N 3.08Å |
| 660 | R | 93.5 | Very high | 93.1 | Very high | 134 Ų | 134 | 97.4 Ų | 97.4 | 51% | 0.506 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -30.1 | 173 | -75.4 | 176.1 | -160.1 | -79.2 | -13.3 | 113 | D656 E658 R664 | D656-R660 WeakPolarHBondContact O-CB 3.29Å; D656-R660 WeakPolarHBondContact O-CG 3.22Å; D656-R660 PolarHBondContact O-N 2.98Å; D656-R660 IonicContact OD1-CZ 3.71Å; D656-R660 VanDerWaalsContact OD1-CZ 3.27Å; D656-R660 IonicContact OD1-NE 2.7Å; D656-R660 PolarHBondContact OD1-NE 2.89Å; D656-R660 IonicContact OD1-NH2 2.8Å; D656-R660 PolarHBondContact OD1-NH2 2.78Å; D656-R660 IonicContact OD2-CZ 3.37Å; D656-R660 IonicContact OD2-NE 3.6Å; D656-R660 PolarHBondContact OD2-NE 3.02Å; D656-R660 IonicContact OD2-NH2 3.72Å; E658-R660 VanDerWaalsContact C-N 3.31Å; E658-R660 PolarHBondContact O-N 3.37Å; R660-R664 WeakPolarHBondContact O-CG 3.47Å; R660-R664 VanDerWaalsContact O-CZ 3.24Å; R660-R664 PolarHBondContact O-N 2.69Å; R660-R664 PolarHBondContact O-NH1 2.99Å |
| 661 | Q | 93.3 | Very high | 93 | Very high | 83 Ų | 83 | 97.7 Ų | 97.7 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.2 | -39.3 | 172.9 | -174.1 | 57.9 | 41.9 | 0 | 0 | 111.6 | R657 E658 L659 R664 N665 | R657-Q661 PolarHBondContact O-N 3.14Å; R657-Q661 VanDerWaalsContact O-N 3.12Å; E658-Q661 CarbonylContact O-C 3.57Å; E658-Q661 WeakPolarHBondContact O-CA 3.35Å; E658-Q661 WeakPolarHBondContact O-CB 3.44Å; E658-Q661 PolarHBondContact O-N 2.9Å; L659-Q661 VanDerWaalsContact C-N 3.29Å; L659-Q661 PolarHBondContact O-N 3.42Å; Q661-R664 PolarHBondContact O-N 3.09Å; Q661-R664 VanDerWaalsContact OE1-CZ 3.27Å; Q661-N665 PolarHBondContact NE2-OD1 3.17Å; Q661-N665 PolarHBondContact O-N 3.44Å; Q661-N665 PolarHBondContact O-ND2 2.84Å; Q661-N665 PolarHBondContact O-OD1 3.02Å |
| 662 | E | 92.9 | Very high | 92.9 | Very high | 105 Ų | 105 | 96.9 Ų | 96.9 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 173.4 | -171.7 | 177.6 | -162.6 | 0 | 0 | 111.3 | E658 L659 R664 N665 L666 | E658-E662 PolarHBondContact O-N 3.49Å; L659-E662 PolarHBondContact O-N 3.44Å; E662-R664 VanDerWaalsContact C-N 3.31Å; E662-R664 PolarHBondContact O-N 3.02Å; E662-N665 WeakPolarHBondContact O-CB 3.33Å; E662-N665 PolarHBondContact O-N 3.4Å; E662-N665 VanDerWaalsContact O-N 3.1Å; E662-L666 HydrophobicContact CG-CD1 4.01Å; E662-L666 HydrophobicContact CG-CG 4.31Å; E662-L666 WeakPolarHBondContact O-CB 3.44Å; E662-L666 WeakPolarHBondContact O-CG 3.44Å; E662-L666 PolarHBondContact O-N 2.89Å |
| 663 | I | 91.5 | Very high | 92.9 | Very high | 89 Ų | 89 | 98.2 Ų | 98.2 | 46% | 0.456 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.1 | -42.6 | 175 | -70.8 | 164.6 | 0 | 0 | 0 | 111.4 | L659 L666 Q667 | L659-I663 WeakPolarHBondContact O-CB 3.33Å; L659-I663 VanDerWaalsContact O-CG1 3.26Å; L659-I663 WeakPolarHBondContact O-CG1 3.47Å; L659-I663 PolarHBondContact O-N 3.08Å; I663-L666 PolarHBondContact O-N 3.27Å; I663-Q667 HydrophobicContact CG2-CG 4.46Å; I663-Q667 WeakPolarHBondContact O-CB 3.45Å; I663-Q667 VanDerWaalsContact O-CG 3.24Å; I663-Q667 WeakPolarHBondContact O-CG 3.46Å; I663-Q667 PolarHBondContact O-N 3.19Å |
| 664 | R | 93.1 | Very high | 92.7 | Very high | 116 Ų | 116 | 99.3 Ų | 99.3 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 174.3 | -76 | -175.3 | -67.3 | -89.4 | 4.1 | 111.7 | R660 Q661 E662 L666 Q667 T668 | R660-R664 WeakPolarHBondContact O-CG 3.47Å; R660-R664 VanDerWaalsContact O-CZ 3.24Å; R660-R664 PolarHBondContact O-N 2.69Å; R660-R664 PolarHBondContact O-NH1 2.99Å; Q661-R664 PolarHBondContact O-N 3.09Å; Q661-R664 VanDerWaalsContact OE1-CZ 3.27Å; E662-R664 VanDerWaalsContact C-N 3.31Å; E662-R664 PolarHBondContact O-N 3.02Å; R664-L666 VanDerWaalsContact C-N 3.33Å; R664-L666 PolarHBondContact O-N 3.42Å; R664-Q667 PolarHBondContact O-N 3.32Å; R664-T668 PolarHBondContact O-N 2.69Å; R664-T668 PolarHBondContact O-OG1 3.26Å; R664-T668 VanDerWaalsContact O-OG1 3.1Å |
| 665 | N | 93.6 | Very high | 92.6 | Very high | 91 Ų | 91 | 98.3 Ų | 98.3 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 178 | -63.4 | -14.7 | 0 | 0 | 0 | 111.5 | Q661 E662 T668 R669 | Q661-N665 PolarHBondContact NE2-OD1 3.17Å; Q661-N665 PolarHBondContact O-N 3.44Å; Q661-N665 PolarHBondContact O-ND2 2.84Å; Q661-N665 PolarHBondContact O-OD1 3.02Å; E662-N665 WeakPolarHBondContact O-CB 3.33Å; E662-N665 PolarHBondContact O-N 3.4Å; E662-N665 VanDerWaalsContact O-N 3.1Å; N665-T668 PolarHBondContact O-N 3.38Å; N665-R669 PolarHBondContact O-N 3.14Å |
| 666 | L | 95.4 | Very high | 92.5 | Very high | 93 Ų | 93 | 98.6 Ų | 98.6 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 177.1 | -70.7 | 172.6 | 0 | 0 | 0 | 111.7 | E662 I663 R664 T668 R669 I670 | E662-L666 HydrophobicContact CG-CD1 4.01Å; E662-L666 HydrophobicContact CG-CG 4.31Å; E662-L666 WeakPolarHBondContact O-CB 3.44Å; E662-L666 WeakPolarHBondContact O-CG 3.44Å; E662-L666 PolarHBondContact O-N 2.89Å; I663-L666 PolarHBondContact O-N 3.27Å; R664-L666 VanDerWaalsContact C-N 3.33Å; R664-L666 PolarHBondContact O-N 3.42Å; L666-T668 VanDerWaalsContact C-N 3.33Å; L666-T668 PolarHBondContact O-N 2.89Å; L666-R669 PolarHBondContact O-N 3.01Å; L666-R669 VanDerWaalsContact O-N 3.17Å; L666-I670 VanDerWaalsContact O-CG1 3.27Å; L666-I670 WeakPolarHBondContact O-CG1 3.46Å; L666-I670 PolarHBondContact O-N 3.35Å |
| 667 | Q | 92.5 | Very high | 92.4 | Very high | 117 Ų | 117 | 101.3 Ų | 101.3 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 173.4 | -75.6 | 169.9 | -17.1 | 0 | 0 | 111.8 | I663 R664 I670 F671 | I663-Q667 HydrophobicContact CG2-CG 4.46Å; I663-Q667 WeakPolarHBondContact O-CB 3.45Å; I663-Q667 VanDerWaalsContact O-CG 3.24Å; I663-Q667 WeakPolarHBondContact O-CG 3.46Å; I663-Q667 PolarHBondContact O-N 3.19Å; R664-Q667 PolarHBondContact O-N 3.32Å; Q667-I670 PolarHBondContact O-N 3.05Å; Q667-F671 PolarHBondContact O-N 2.94Å |
| 668 | T | 93.8 | Very high | 92.4 | Very high | 98 Ų | 98 | 98.6 Ų | 98.6 | 60% | 0.601 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.5 | -43.1 | 173.4 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | R664 N665 L666 F671 Q672 | R664-T668 PolarHBondContact O-N 2.69Å; R664-T668 PolarHBondContact O-OG1 3.26Å; R664-T668 VanDerWaalsContact O-OG1 3.1Å; N665-T668 PolarHBondContact O-N 3.38Å; L666-T668 VanDerWaalsContact C-N 3.33Å; L666-T668 PolarHBondContact O-N 2.89Å; T668-F671 PolarHBondContact O-N 2.94Å; T668-Q672 WeakPolarHBondContact O-CB 3.45Å; T668-Q672 PolarHBondContact O-N 2.86Å |
| 669 | R | 94.8 | Very high | 92.3 | Very high | 112 Ų | 112 | 100.6 Ų | 100.6 | 42% | 0.423 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 177.8 | -175.3 | 58.3 | -172.2 | 143.6 | 5.1 | 112.6 | N665 L666 Q672 L673 E676 | N665-R669 PolarHBondContact O-N 3.14Å; L666-R669 PolarHBondContact O-N 3.01Å; L666-R669 VanDerWaalsContact O-N 3.17Å; R669-Q672 VanDerWaalsContact NH1-CG 3.32Å; R669-Q672 PolarHBondContact O-N 3.48Å; R669-L673 HydrophobicContact CG-CD1 4.02Å; R669-L673 HydrophobicContact CG-CG 4.4Å; R669-L673 VanDerWaalsContact NH2-CD2 3.25Å; R669-L673 WeakPolarHBondContact O-CB 3.28Å; R669-L673 WeakPolarHBondContact O-CG 3.49Å; R669-L673 PolarHBondContact O-N 2.97Å; R669-E676 IonicContact CZ-OE1 3.13Å; R669-E676 IonicContact CZ-OE2 3.7Å; R669-E676 IonicContact NH1-OE1 2.7Å; R669-E676 PolarHBondContact NH1-OE1 2.95Å; R669-E676 IonicContact NH1-OE2 3.02Å; R669-E676 PolarHBondContact NH1-OE2 3.41Å; R669-E676 IonicContact NH2-OE1 2.66Å; R669-E676 IonicContact NH2-OE2 2.8Å; R669-E676 PolarHBondContact NH2-OE2 3.23Å |
| 670 | I | 88.5 | Confident | 92.1 | Very high | 95 Ų | 95 | 103.1 Ų | 103.1 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -51.4 | 173.7 | -70.9 | 163.1 | 0 | 0 | 0 | 110.2 | L666 Q667 Q672 L673 E674 | L666-I670 VanDerWaalsContact O-CG1 3.27Å; L666-I670 WeakPolarHBondContact O-CG1 3.46Å; L666-I670 PolarHBondContact O-N 3.35Å; Q667-I670 PolarHBondContact O-N 3.05Å; I670-Q672 VanDerWaalsContact C-N 3.25Å; I670-Q672 PolarHBondContact O-N 3.44Å; I670-L673 PolarHBondContact O-N 2.68Å; I670-L673 VanDerWaalsContact O-N 3.12Å; I670-E674 WeakPolarHBondContact O-CG 3.45Å; I670-E674 PolarHBondContact O-N 3.35Å |
| 671 | F | 90.7 | Very high | 92 | Very high | 137 Ų | 137 | 102.1 Ų | 102.1 | 60% | 0.601 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.7 | -38.6 | 178.4 | -178.4 | -98 | 0 | 0 | 0 | 112.6 | Q667 T668 E674 A675 | Q667-F671 PolarHBondContact O-N 2.94Å; T668-F671 PolarHBondContact O-N 2.94Å; F671-E674 PolarHBondContact O-N 3.44Å; F671-A675 PolarHBondContact O-N 3.41Å |
| 672 | Q | 91.6 | Very high | 92 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 43% | 0.425 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 175 | 178.7 | 58.7 | 34.7 | 0 | 0 | 112.3 | T668 R669 I670 E674 A675 E676 | T668-Q672 WeakPolarHBondContact O-CB 3.45Å; T668-Q672 PolarHBondContact O-N 2.86Å; R669-Q672 VanDerWaalsContact NH1-CG 3.32Å; R669-Q672 PolarHBondContact O-N 3.48Å; I670-Q672 VanDerWaalsContact C-N 3.25Å; I670-Q672 PolarHBondContact O-N 3.44Å; Q672-E674 VanDerWaalsContact C-N 3.34Å; Q672-E674 PolarHBondContact O-N 3.09Å; Q672-A675 WeakPolarHBondContact O-CB 3.27Å; Q672-A675 PolarHBondContact O-N 2.96Å; Q672-A675 VanDerWaalsContact O-N 3.15Å; Q672-E676 VanDerWaalsContact CG-OE1 3.3Å; Q672-E676 WeakPolarHBondContact CG-OE1 3.44Å; Q672-E676 PolarHBondContact NE2-OE1 3.28Å; Q672-E676 WeakPolarHBondContact O-CG 3.39Å; Q672-E676 PolarHBondContact O-N 3.24Å |
| 673 | L | 92 | Very high | 92 | Very high | 82 Ų | 82 | 98 Ų | 98 | 43% | 0.429 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 173.7 | -80.8 | 166 | 0 | 0 | 0 | 112.4 | R669 I670 A675 E676 H677 | R669-L673 HydrophobicContact CG-CD1 4.02Å; R669-L673 HydrophobicContact CG-CG 4.4Å; R669-L673 VanDerWaalsContact NH2-CD2 3.25Å; R669-L673 WeakPolarHBondContact O-CB 3.28Å; R669-L673 WeakPolarHBondContact O-CG 3.49Å; R669-L673 PolarHBondContact O-N 2.97Å; I670-L673 PolarHBondContact O-N 2.68Å; I670-L673 VanDerWaalsContact O-N 3.12Å; L673-A675 VanDerWaalsContact C-N 3.33Å; L673-E676 PolarHBondContact O-N 2.95Å; L673-H677 VanDerWaalsContact O-CB 3.31Å; L673-H677 WeakPolarHBondContact O-CB 3.24Å; L673-H677 PolarHBondContact O-N 3.17Å |
| 674 | E | 90.5 | Very high | 92.1 | Very high | 91 Ų | 91 | 98.9 Ų | 98.9 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 172.4 | -70 | -177.2 | -173.3 | 0 | 0 | 112.1 | I670 F671 Q672 H677 R678 | I670-E674 WeakPolarHBondContact O-CG 3.45Å; I670-E674 PolarHBondContact O-N 3.35Å; F671-E674 PolarHBondContact O-N 3.44Å; Q672-E674 VanDerWaalsContact C-N 3.34Å; Q672-E674 PolarHBondContact O-N 3.09Å; E674-H677 PolarHBondContact O-N 2.8Å; E674-R678 WeakPolarHBondContact O-CB 3.36Å; E674-R678 VanDerWaalsContact O-CG 3.26Å; E674-R678 WeakPolarHBondContact O-CG 3.39Å; E674-R678 PolarHBondContact O-N 2.89Å; E674-R678 PolarHBondContact O-NE 3.13Å; E674-R678 IonicContact OE2-CZ 3.7Å; E674-R678 IonicContact OE2-NH1 3.65Å; E674-R678 PolarHBondContact OE2-NH1 3.35Å; E674-R678 IonicContact OE2-NH2 2.74Å |
| 675 | A | 91.2 | Very high | 92.1 | Very high | 31 Ų | 31 | 100.2 Ų | 100.2 | 26% | 0.256 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -49.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | F671 Q672 L673 H677 R678 E679 | F671-A675 PolarHBondContact O-N 3.41Å; Q672-A675 WeakPolarHBondContact O-CB 3.27Å; Q672-A675 PolarHBondContact O-N 2.96Å; Q672-A675 VanDerWaalsContact O-N 3.15Å; L673-A675 VanDerWaalsContact C-N 3.33Å; A675-H677 VanDerWaalsContact C-N 3.28Å; A675-H677 PolarHBondContact O-N 3.28Å; A675-R678 PolarHBondContact O-N 3.31Å; A675-E679 PolarHBondContact O-N 2.95Å |
| 676 | E | 91.3 | Very high | 92.2 | Very high | 75 Ų | 75 | 99.6 Ų | 99.6 | 35% | 0.35 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -53.3 | -43.9 | 172 | -73.2 | 163 | -153.1 | 0 | 0 | 111.3 | R669 Q672 L673 F680 | R669-E676 IonicContact CZ-OE1 3.13Å; R669-E676 IonicContact CZ-OE2 3.7Å; R669-E676 IonicContact NH1-OE1 2.7Å; R669-E676 PolarHBondContact NH1-OE1 2.95Å; R669-E676 IonicContact NH1-OE2 3.02Å; R669-E676 PolarHBondContact NH1-OE2 3.41Å; R669-E676 IonicContact NH2-OE1 2.66Å; R669-E676 IonicContact NH2-OE2 2.8Å; R669-E676 PolarHBondContact NH2-OE2 3.23Å; Q672-E676 VanDerWaalsContact CG-OE1 3.3Å; Q672-E676 WeakPolarHBondContact CG-OE1 3.44Å; Q672-E676 PolarHBondContact NE2-OE1 3.28Å; Q672-E676 WeakPolarHBondContact O-CG 3.39Å; Q672-E676 PolarHBondContact O-N 3.24Å; L673-E676 PolarHBondContact O-N 2.95Å; E676-F680 VanDerWaalsContact O-CB 3.3Å; E676-F680 WeakPolarHBondContact O-CB 3.49Å; E676-F680 PolarHBondContact O-N 3.23Å |
| 677 | H | 90.9 | Very high | 92.2 | Very high | 120 Ų | 120 | 102 Ų | 102 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.9 | -39.4 | 178.1 | -174.5 | 78.9 | 0 | 0 | 0 | 113.3 | L673 E674 A675 K681 | L673-H677 VanDerWaalsContact O-CB 3.31Å; L673-H677 WeakPolarHBondContact O-CB 3.24Å; L673-H677 PolarHBondContact O-N 3.17Å; E674-H677 PolarHBondContact O-N 2.8Å; A675-H677 VanDerWaalsContact C-N 3.28Å; A675-H677 PolarHBondContact O-N 3.28Å; H677-K681 VanDerWaalsContact O-CB 3.29Å; H677-K681 WeakPolarHBondContact O-CB 3.41Å; H677-K681 PolarHBondContact O-N 3.44Å |
| 678 | R | 91.7 | Very high | 92.2 | Very high | 117 Ų | 117 | 102.1 Ų | 102.1 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 174.4 | -78.3 | 179.9 | -68.4 | -105.5 | -0.4 | 111 | E674 A675 K681 V682 | E674-R678 WeakPolarHBondContact O-CB 3.36Å; E674-R678 VanDerWaalsContact O-CG 3.26Å; E674-R678 WeakPolarHBondContact O-CG 3.39Å; E674-R678 PolarHBondContact O-N 2.89Å; E674-R678 PolarHBondContact O-NE 3.13Å; E674-R678 IonicContact OE2-CZ 3.7Å; E674-R678 IonicContact OE2-NH1 3.65Å; E674-R678 PolarHBondContact OE2-NH1 3.35Å; E674-R678 IonicContact OE2-NH2 2.74Å; A675-R678 PolarHBondContact O-N 3.31Å; R678-K681 PolarHBondContact O-N 2.95Å; R678-V682 WeakPolarHBondContact O-CG2 3.48Å; R678-V682 PolarHBondContact O-N 3.45Å; R678-V682 VanDerWaalsContact O-N 3.16Å |
| 679 | E | 90.2 | Very high | 92.2 | Very high | 154 Ų | 154 | 103.5 Ų | 103.5 | 72% | 0.72 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.2 | -49.4 | 176.1 | -174.1 | 177.1 | 177.7 | 0 | 0 | 111.4 | A675 K681 V682 G683 | A675-E679 PolarHBondContact O-N 2.95Å; E679-K681 VanDerWaalsContact C-N 3.3Å; E679-K681 PolarHBondContact O-N 2.75Å; E679-V682 WeakPolarHBondContact O-CA 3.33Å; E679-V682 WeakPolarHBondContact O-CB 3.48Å; E679-V682 PolarHBondContact O-N 2.87Å; E679-G683 PolarHBondContact O-N 3.38Å |
| 680 | F | 92 | Very high | 92.2 | Very high | 134 Ų | 134 | 102.4 Ų | 102.4 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -54.5 | -44.9 | 175.9 | -178.3 | -89.3 | 0 | 0 | 0 | 112 | E676 V682 G683 Q684 | E676-F680 VanDerWaalsContact O-CB 3.3Å; E676-F680 WeakPolarHBondContact O-CB 3.49Å; E676-F680 PolarHBondContact O-N 3.23Å; F680-V682 VanDerWaalsContact C-N 3.25Å; F680-V682 PolarHBondContact O-N 3.24Å; F680-G683 PolarHBondContact O-N 3.14Å; F680-Q684 WeakPolarHBondContact O-CB 3.44Å; F680-Q684 PolarHBondContact O-N 2.75Å |
| 681 | K | 91.3 | Very high | 92.6 | Very high | 114 Ų | 114 | 103.6 Ų | 103.6 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.5 | -19.1 | 177.7 | -171.9 | 170.2 | -177 | 173 | 0 | 113.6 | H677 R678 E679 R685 | H677-K681 VanDerWaalsContact O-CB 3.29Å; H677-K681 WeakPolarHBondContact O-CB 3.41Å; H677-K681 PolarHBondContact O-N 3.44Å; R678-K681 PolarHBondContact O-N 2.95Å; E679-K681 VanDerWaalsContact C-N 3.3Å; E679-K681 PolarHBondContact O-N 2.75Å; K681-R685 PolarHBondContact O-NE 2.86Å; K681-R685 PolarHBondContact O-NH2 2.92Å |
| 682 | V | 93.2 | Very high | 92.8 | Very high | 71 Ų | 71 | 102.9 Ų | 102.9 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -83 | -50.7 | 168.6 | 171.4 | 0 | 0 | 0 | 0 | 110 | R678 E679 F680 Q684 R685 I686 | R678-V682 WeakPolarHBondContact O-CG2 3.48Å; R678-V682 PolarHBondContact O-N 3.45Å; R678-V682 VanDerWaalsContact O-N 3.16Å; E679-V682 WeakPolarHBondContact O-CA 3.33Å; E679-V682 WeakPolarHBondContact O-CB 3.48Å; E679-V682 PolarHBondContact O-N 2.87Å; F680-V682 VanDerWaalsContact C-N 3.25Å; F680-V682 PolarHBondContact O-N 3.24Å; V682-Q684 VanDerWaalsContact C-N 3.3Å; V682-Q684 PolarHBondContact O-N 3.36Å; V682-R685 PolarHBondContact O-N 2.91Å; V682-R685 VanDerWaalsContact O-N 3.13Å; V682-I686 HydrophobicContact CG1-CD1 3.8Å; V682-I686 HydrophobicContact CG1-CG1 4.44Å; V682-I686 WeakPolarHBondContact O-CG1 3.5Å; V682-I686 PolarHBondContact O-N 3.05Å |
| 683 | G | 92.7 | Very high | 92.9 | Very high | 29 Ų | 29 | 102.2 Ų | 102.2 | 30% | 0.299 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -34.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | E679 F680 I686 K687 | E679-G683 PolarHBondContact O-N 3.38Å; F680-G683 PolarHBondContact O-N 3.14Å; G683-I686 PolarHBondContact O-N 2.74Å; G683-K687 WeakPolarHBondContact O-CG 3.32Å; G683-K687 PolarHBondContact O-N 2.76Å |
| 684 | Q | 93.6 | Very high | 93.1 | Very high | 109 Ų | 109 | 103.5 Ų | 103.5 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 173.4 | -175.3 | 177.4 | 7.1 | 0 | 0 | 111.7 | F680 V682 I686 K687 E688 | F680-Q684 WeakPolarHBondContact O-CB 3.44Å; F680-Q684 PolarHBondContact O-N 2.75Å; V682-Q684 VanDerWaalsContact C-N 3.3Å; V682-Q684 PolarHBondContact O-N 3.36Å; Q684-I686 VanDerWaalsContact C-N 3.33Å; Q684-I686 PolarHBondContact O-N 2.83Å; Q684-K687 PolarHBondContact O-N 3.11Å; Q684-E688 WeakPolarHBondContact O-CB 3.45Å; Q684-E688 PolarHBondContact O-N 3.45Å |
| 685 | R | 93.7 | Very high | 93.4 | Very high | 143 Ų | 143 | 103.6 Ų | 103.6 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -32.9 | 178.6 | -76.5 | -180 | -70.5 | 157.7 | 1.8 | 112.7 | K681 V682 M689 | K681-R685 PolarHBondContact O-NE 2.86Å; K681-R685 PolarHBondContact O-NH2 2.92Å; V682-R685 PolarHBondContact O-N 2.91Å; V682-R685 VanDerWaalsContact O-N 3.13Å; R685-M689 VanDerWaalsContact O-CB 3.28Å; R685-M689 WeakPolarHBondContact O-CB 3.33Å; R685-M689 PolarHBondContact O-N 3.27Å |
| 686 | I | 94.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 104.6 Ų | 104.6 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -48.4 | 172.5 | -66.5 | 169.5 | 0 | 0 | 0 | 110.1 | V682 G683 Q684 E688 M689 E690 | V682-I686 HydrophobicContact CG1-CD1 3.8Å; V682-I686 HydrophobicContact CG1-CG1 4.44Å; V682-I686 WeakPolarHBondContact O-CG1 3.5Å; V682-I686 PolarHBondContact O-N 3.05Å; G683-I686 PolarHBondContact O-N 2.74Å; Q684-I686 VanDerWaalsContact C-N 3.33Å; Q684-I686 PolarHBondContact O-N 2.83Å; I686-E688 VanDerWaalsContact C-N 3.34Å; I686-E688 PolarHBondContact O-N 3.49Å; I686-M689 PolarHBondContact O-N 2.98Å; I686-E690 PolarHBondContact O-N 3.02Å |
| 687 | K | 95.3 | Very high | 93.8 | Very high | 144 Ų | 144 | 105.4 Ų | 105.4 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 177.2 | -72.8 | 172.8 | -179.4 | 178.7 | 0 | 112.7 | G683 Q684 E690 L691 | G683-K687 WeakPolarHBondContact O-CG 3.32Å; G683-K687 PolarHBondContact O-N 2.76Å; Q684-K687 PolarHBondContact O-N 3.11Å; K687-E690 PolarHBondContact O-N 3.23Å; K687-L691 WeakPolarHBondContact O-CB 3.45Å; K687-L691 VanDerWaalsContact O-CG 3.26Å; K687-L691 WeakPolarHBondContact O-CG 3.34Å; K687-L691 PolarHBondContact O-N 3.48Å |
| 688 | E | 93.3 | Very high | 94 | Very high | 119 Ų | 119 | 102.8 Ų | 102.8 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -47.1 | 174.3 | -175.3 | 175.8 | -162.7 | 0 | 0 | 111.4 | Q684 I686 E690 L691 M692 | Q684-E688 WeakPolarHBondContact O-CB 3.45Å; Q684-E688 PolarHBondContact O-N 3.45Å; I686-E688 VanDerWaalsContact C-N 3.34Å; I686-E688 PolarHBondContact O-N 3.49Å; E688-E690 PolarHBondContact O-N 2.84Å; E688-L691 PolarHBondContact O-N 2.93Å; E688-M692 WeakPolarHBondContact O-CG 3.46Å; E688-M692 PolarHBondContact O-N 3.23Å |
| 689 | M | 94.2 | Very high | 94.2 | Very high | 127 Ų | 127 | 101.3 Ų | 101.3 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -39.2 | 175.4 | -175.6 | 176 | 66.2 | 0 | 0 | 112.6 | R685 I686 S693 | R685-M689 VanDerWaalsContact O-CB 3.28Å; R685-M689 WeakPolarHBondContact O-CB 3.33Å; R685-M689 PolarHBondContact O-N 3.27Å; I686-M689 PolarHBondContact O-N 2.98Å; M689-S693 VanDerWaalsContact O-CB 3.28Å; M689-S693 WeakPolarHBondContact O-CB 3.06Å; M689-S693 PolarHBondContact O-N 2.95Å |
| 690 | E | 95 | Very high | 94.4 | Very high | 89 Ų | 89 | 101 Ų | 101 | 42% | 0.416 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 172.3 | -80.6 | -174.5 | -138.3 | 0 | 0 | 112.5 | I686 K687 E688 S693 K694 | I686-E690 PolarHBondContact O-N 3.02Å; K687-E690 PolarHBondContact O-N 3.23Å; E688-E690 PolarHBondContact O-N 2.84Å; E690-S693 PolarHBondContact O-N 3.1Å; E690-K694 WeakPolarHBondContact O-CB 3.26Å; E690-K694 WeakPolarHBondContact O-CD 3.31Å; E690-K694 VanDerWaalsContact O-CG 3.26Å; E690-K694 WeakPolarHBondContact O-CG 3.33Å; E690-K694 PolarHBondContact O-N 3.46Å; E690-K694 IonicContact OE2-NZ 3.95Å; E690-K694 PolarHBondContact OE2-NZ 3.11Å |
| 691 | L | 96.5 | Very high | 94.5 | Very high | 120 Ų | 120 | 102 Ų | 102 | 63% | 0.628 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.5 | -43.3 | 178 | -74.7 | 167.8 | 0 | 0 | 0 | 111 | K687 E688 S693 K694 L695 | K687-L691 WeakPolarHBondContact O-CB 3.45Å; K687-L691 VanDerWaalsContact O-CG 3.26Å; K687-L691 WeakPolarHBondContact O-CG 3.34Å; K687-L691 PolarHBondContact O-N 3.48Å; E688-L691 PolarHBondContact O-N 2.93Å; L691-S693 VanDerWaalsContact C-N 3.33Å; L691-S693 PolarHBondContact O-N 3.35Å; L691-K694 PolarHBondContact O-N 3.05Å; L691-L695 WeakPolarHBondContact O-CB 3.43Å; L691-L695 PolarHBondContact O-N 2.92Å |
| 692 | M | 94.6 | Very high | 94.7 | Very high | 121 Ų | 121 | 101 Ų | 101 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -37.9 | 173.9 | -70.9 | -62 | -69.3 | 0 | 0 | 112.3 | E688 L695 A696 | E688-M692 WeakPolarHBondContact O-CG 3.46Å; E688-M692 PolarHBondContact O-N 3.23Å; M692-L695 PolarHBondContact O-N 3.41Å; M692-L695 HydrophobicContact SD-CD2 4.44Å; M692-A696 WeakPolarHBondContact O-CB 3.44Å; M692-A696 PolarHBondContact O-N 3.15Å |
| 693 | S | 94.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 100.7 Ų | 100.7 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 174.5 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | M689 E690 L691 L695 A696 E697 | M689-S693 VanDerWaalsContact O-CB 3.28Å; M689-S693 WeakPolarHBondContact O-CB 3.06Å; M689-S693 PolarHBondContact O-N 2.95Å; E690-S693 PolarHBondContact O-N 3.1Å; L691-S693 VanDerWaalsContact C-N 3.33Å; L691-S693 PolarHBondContact O-N 3.35Å; S693-L695 VanDerWaalsContact C-N 3.34Å; S693-L695 PolarHBondContact O-N 3.03Å; S693-A696 PolarHBondContact O-N 2.9Å; S693-E697 WeakPolarHBondContact O-CB 3.46Å; S693-E697 PolarHBondContact O-N 3.31Å |
| 694 | K | 96.1 | Very high | 94.8 | Very high | 109 Ų | 109 | 106 Ų | 106 | 47% | 0.474 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 175.5 | -72.2 | 159.4 | -176.3 | 158.9 | 0 | 111.9 | E690 L691 S698 | E690-K694 WeakPolarHBondContact O-CB 3.26Å; E690-K694 WeakPolarHBondContact O-CD 3.31Å; E690-K694 VanDerWaalsContact O-CG 3.26Å; E690-K694 WeakPolarHBondContact O-CG 3.33Å; E690-K694 PolarHBondContact O-N 3.46Å; E690-K694 IonicContact OE2-NZ 3.95Å; E690-K694 PolarHBondContact OE2-NZ 3.11Å; L691-K694 PolarHBondContact O-N 3.05Å; K694-S698 VanDerWaalsContact O-CB 3.31Å; K694-S698 WeakPolarHBondContact O-CB 3.5Å; K694-S698 PolarHBondContact O-N 2.96Å |
| 695 | L | 95.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 103.4 Ų | 103.4 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 173.8 | -179.8 | 60.3 | 0 | 0 | 0 | 111.6 | L691 M692 S693 S698 N699 | L691-L695 WeakPolarHBondContact O-CB 3.43Å; L691-L695 PolarHBondContact O-N 2.92Å; M692-L695 PolarHBondContact O-N 3.41Å; M692-L695 HydrophobicContact SD-CD2 4.44Å; S693-L695 VanDerWaalsContact C-N 3.34Å; S693-L695 PolarHBondContact O-N 3.03Å; L695-S698 PolarHBondContact O-N 3.31Å; L695-N699 WeakPolarHBondContact O-CB 3.41Å; L695-N699 PolarHBondContact O-N 2.85Å; L695-N699 PolarHBondContact O-OD1 3.34Å |
| 696 | A | 96.3 | Very high | 94.8 | Very high | 53 Ų | 53 | 101.2 Ų | 101.2 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M692 S693 S698 N699 M700 | M692-A696 WeakPolarHBondContact O-CB 3.44Å; M692-A696 PolarHBondContact O-N 3.15Å; S693-A696 PolarHBondContact O-N 2.9Å; A696-S698 PolarHBondContact O-N 3.4Å; A696-N699 PolarHBondContact O-N 2.89Å; A696-M700 WeakPolarHBondContact O-CG 3.47Å; A696-M700 PolarHBondContact O-N 2.87Å |
| 697 | E | 95.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 102.2 Ų | 102.2 | 43% | 0.425 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 174.9 | -166.5 | -164.3 | -165.1 | 0 | 0 | 111.6 | S693 M700 R701 | S693-E697 WeakPolarHBondContact O-CB 3.46Å; S693-E697 PolarHBondContact O-N 3.31Å; E697-M700 PolarHBondContact O-N 3.41Å; E697-R701 VanDerWaalsContact CD-CZ 3.48Å; E697-R701 WeakPolarHBondContact O-CG 3.48Å; E697-R701 PolarHBondContact O-N 2.99Å; E697-R701 IonicContact OE1-CZ 3.18Å; E697-R701 IonicContact OE1-NH1 3.07Å; E697-R701 PolarHBondContact OE1-NH1 2.76Å; E697-R701 IonicContact OE1-NH2 3.35Å; E697-R701 PolarHBondContact OE1-NH2 2.83Å; E697-R701 IonicContact OE2-CZ 3.84Å; E697-R701 IonicContact OE2-NH1 2.94Å; E697-R701 PolarHBondContact OE2-NH1 3.15Å; E697-R701 IonicContact OE2-NH2 3.86Å |
| 698 | S | 94.8 | Very high | 94.7 | Very high | 66 Ų | 66 | 98.3 Ų | 98.3 | 46% | 0.462 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 175.3 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | K694 L695 A696 R701 L702 | K694-S698 VanDerWaalsContact O-CB 3.31Å; K694-S698 WeakPolarHBondContact O-CB 3.5Å; K694-S698 PolarHBondContact O-N 2.96Å; L695-S698 PolarHBondContact O-N 3.31Å; A696-S698 PolarHBondContact O-N 3.4Å; S698-R701 PolarHBondContact O-N 3.09Å; S698-L702 WeakPolarHBondContact O-CB 3.45Å; S698-L702 PolarHBondContact O-N 3.45Å |
| 699 | N | 95.5 | Very high | 94.7 | Very high | 86 Ų | 86 | 97.4 Ų | 97.4 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 178 | -69.3 | -7.4 | 0 | 0 | 0 | 111.8 | L695 A696 L702 S703 | L695-N699 WeakPolarHBondContact O-CB 3.41Å; L695-N699 PolarHBondContact O-N 2.85Å; L695-N699 PolarHBondContact O-OD1 3.34Å; A696-N699 PolarHBondContact O-N 2.89Å; N699-L702 PolarHBondContact O-N 2.9Å; N699-S703 WeakPolarHBondContact O-CB 3.33Å; N699-S703 PolarHBondContact O-N 2.95Å |
| 700 | M | 94.5 | Very high | 94.7 | Very high | 147 Ų | 147 | 97.4 Ų | 97.4 | 72% | 0.724 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 171.1 | -75 | -178 | 64.7 | 0 | 0 | 112.1 | A696 E697 H704 | A696-M700 WeakPolarHBondContact O-CG 3.47Å; A696-M700 PolarHBondContact O-N 2.87Å; E697-M700 PolarHBondContact O-N 3.41Å; M700-H704 WeakPolarHBondContact O-CB 3.32Å; M700-H704 PolarHBondContact O-N 3Å |
| 701 | R | 95 | Very high | 94.6 | Very high | 155 Ų | 155 | 99 Ų | 99 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 175 | -76.8 | -179.1 | 175.3 | 119.1 | 10.9 | 112.1 | E697 S698 H704 A705 | E697-R701 VanDerWaalsContact CD-CZ 3.48Å; E697-R701 WeakPolarHBondContact O-CG 3.48Å; E697-R701 PolarHBondContact O-N 2.99Å; E697-R701 IonicContact OE1-CZ 3.18Å; E697-R701 IonicContact OE1-NH1 3.07Å; E697-R701 PolarHBondContact OE1-NH1 2.76Å; E697-R701 IonicContact OE1-NH2 3.35Å; E697-R701 PolarHBondContact OE1-NH2 2.83Å; E697-R701 IonicContact OE2-CZ 3.84Å; E697-R701 IonicContact OE2-NH1 2.94Å; E697-R701 PolarHBondContact OE2-NH1 3.15Å; E697-R701 IonicContact OE2-NH2 3.86Å; S698-R701 PolarHBondContact O-N 3.09Å; R701-H704 PolarHBondContact O-N 3.19Å; R701-A705 WeakPolarHBondContact O-CB 3.43Å; R701-A705 PolarHBondContact O-N 3.34Å |
| 702 | L | 94.3 | Very high | 94.5 | Very high | 94 Ų | 94 | 95.9 Ų | 95.9 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -50.3 | 177.1 | 179.4 | 64.4 | 0 | 0 | 0 | 110.9 | S698 N699 H704 A705 E706 | S698-L702 WeakPolarHBondContact O-CB 3.45Å; S698-L702 PolarHBondContact O-N 3.45Å; N699-L702 PolarHBondContact O-N 2.9Å; L702-H704 VanDerWaalsContact C-N 3.3Å; L702-H704 PolarHBondContact O-N 3.35Å; L702-A705 CarbonylContact O-C 3.57Å; L702-A705 WeakPolarHBondContact O-CA 3.32Å; L702-A705 WeakPolarHBondContact O-CB 3.31Å; L702-A705 PolarHBondContact O-N 3.43Å; L702-E706 HydrophobicContact CD1-CG 4.32Å; L702-E706 HydrophobicContact CG-CG 4.41Å; L702-E706 WeakPolarHBondContact O-CG 3.44Å; L702-E706 PolarHBondContact O-N 2.84Å |
| 703 | S | 94.1 | Very high | 94.4 | Very high | 64 Ų | 64 | 94 Ų | 94 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -38.4 | 178.2 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | N699 E706 M707 | N699-S703 WeakPolarHBondContact O-CB 3.33Å; N699-S703 PolarHBondContact O-N 2.95Å; S703-E706 PolarHBondContact O-N 3.08Å; S703-M707 WeakPolarHBondContact O-CB 3.4Å; S703-M707 PolarHBondContact O-N 3.31Å |
| 704 | H | 94.3 | Very high | 94.4 | Very high | 140 Ų | 140 | 94.7 Ų | 94.7 | 65% | 0.648 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.2 | -39.5 | 172.8 | -174.5 | -68.7 | 0 | 0 | 0 | 112.4 | M700 R701 L702 S708 | M700-H704 WeakPolarHBondContact O-CB 3.32Å; M700-H704 PolarHBondContact O-N 3Å; R701-H704 PolarHBondContact O-N 3.19Å; L702-H704 VanDerWaalsContact C-N 3.3Å; L702-H704 PolarHBondContact O-N 3.35Å; H704-S708 WeakPolarHBondContact O-CB 3.45Å; H704-S708 PolarHBondContact O-N 2.92Å |
| 705 | A | 93.8 | Very high | 94.2 | Very high | 54 Ų | 54 | 97.6 Ų | 97.6 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | R701 L702 S708 N709 | R701-A705 WeakPolarHBondContact O-CB 3.43Å; R701-A705 PolarHBondContact O-N 3.34Å; L702-A705 CarbonylContact O-C 3.57Å; L702-A705 WeakPolarHBondContact O-CA 3.32Å; L702-A705 WeakPolarHBondContact O-CB 3.31Å; L702-A705 PolarHBondContact O-N 3.43Å; A705-S708 PolarHBondContact O-N 3.16Å; A705-N709 WeakPolarHBondContact O-CB 3.43Å; A705-N709 PolarHBondContact O-N 2.93Å |
| 706 | E | 94.8 | Very high | 94.2 | Very high | 97 Ų | 97 | 95.9 Ų | 95.9 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 173.7 | -71.8 | 172.6 | 163.3 | 0 | 0 | 111.5 | L702 S703 S708 N709 Q710 | L702-E706 HydrophobicContact CD1-CG 4.32Å; L702-E706 HydrophobicContact CG-CG 4.41Å; L702-E706 WeakPolarHBondContact O-CG 3.44Å; L702-E706 PolarHBondContact O-N 2.84Å; S703-E706 PolarHBondContact O-N 3.08Å; E706-S708 VanDerWaalsContact C-N 3.35Å; E706-S708 PolarHBondContact O-N 3.14Å; E706-N709 PolarHBondContact O-N 3.17Å; E706-Q710 WeakPolarHBondContact O-CG 3.37Å; E706-Q710 PolarHBondContact O-N 2.83Å |
| 707 | M | 92.5 | Very high | 93.9 | Very high | 101 Ų | 101 | 99.1 Ų | 99.1 | 50% | 0.498 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.3 | -172.3 | -171.5 | -60.1 | 0 | 0 | 111.8 | S703 Q710 Q711 | S703-M707 WeakPolarHBondContact O-CB 3.4Å; S703-M707 PolarHBondContact O-N 3.31Å; M707-Q710 PolarHBondContact O-N 2.83Å; M707-Q711 WeakPolarHBondContact O-CG 3.27Å; M707-Q711 PolarHBondContact O-N 3.23Å |
| 708 | S | 94.1 | Very high | 93.8 | Very high | 61 Ų | 61 | 100 Ų | 100 | 43% | 0.427 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 176.6 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | H704 A705 E706 Q711 A712 | H704-S708 WeakPolarHBondContact O-CB 3.45Å; H704-S708 PolarHBondContact O-N 2.92Å; A705-S708 PolarHBondContact O-N 3.16Å; E706-S708 VanDerWaalsContact C-N 3.35Å; E706-S708 PolarHBondContact O-N 3.14Å; S708-Q711 PolarHBondContact O-N 3.05Å; S708-A712 WeakPolarHBondContact O-CB 3.42Å; S708-A712 PolarHBondContact O-N 2.93Å |
| 709 | N | 93.7 | Very high | 93.6 | Very high | 100 Ų | 100 | 99.8 Ų | 99.8 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 174.4 | -169.8 | 14.7 | 0 | 0 | 0 | 111.7 | A705 E706 Q711 A712 I713 | A705-N709 WeakPolarHBondContact O-CB 3.43Å; A705-N709 PolarHBondContact O-N 2.93Å; E706-N709 PolarHBondContact O-N 3.17Å; N709-Q711 VanDerWaalsContact C-N 3.34Å; N709-Q711 PolarHBondContact O-N 2.88Å; N709-A712 PolarHBondContact O-N 2.82Å; N709-I713 VanDerWaalsContact O-CG1 3.29Å; N709-I713 WeakPolarHBondContact O-CG1 3.46Å; N709-I713 PolarHBondContact O-N 3.34Å |
| 710 | Q | 94.1 | Very high | 93.5 | Very high | 127 Ų | 127 | 102.4 Ų | 102.4 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.8 | -44.3 | 172.8 | -72.2 | 174.9 | 14.7 | 0 | 0 | 111.8 | E706 M707 A712 I713 V714 | E706-Q710 WeakPolarHBondContact O-CG 3.37Å; E706-Q710 PolarHBondContact O-N 2.83Å; M707-Q710 PolarHBondContact O-N 2.83Å; Q710-A712 PolarHBondContact O-N 3.38Å; Q710-I713 PolarHBondContact O-N 3.48Å; Q710-V714 WeakPolarHBondContact O-CG2 3.37Å; Q710-V714 PolarHBondContact O-N 2.86Å |
| 711 | Q | 93.2 | Very high | 93.2 | Very high | 122 Ų | 122 | 98.3 Ų | 98.3 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.3 | -45.9 | 173.5 | -72.5 | 173.5 | 12.1 | 0 | 0 | 111.6 | M707 S708 N709 I713 V714 W715 | M707-Q711 WeakPolarHBondContact O-CG 3.27Å; M707-Q711 PolarHBondContact O-N 3.23Å; S708-Q711 PolarHBondContact O-N 3.05Å; N709-Q711 VanDerWaalsContact C-N 3.34Å; N709-Q711 PolarHBondContact O-N 2.88Å; Q711-I713 PolarHBondContact O-N 3.38Å; Q711-V714 PolarHBondContact O-N 3.41Å; Q711-W715 WeakPolarHBondContact O-CB 3.33Å; Q711-W715 PolarHBondContact O-N 3.45Å |
| 712 | A | 92.7 | Very high | 93 | Very high | 56 Ų | 56 | 96.5 Ų | 96.5 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S708 N709 Q710 W715 S716 | S708-A712 WeakPolarHBondContact O-CB 3.42Å; S708-A712 PolarHBondContact O-N 2.93Å; N709-A712 PolarHBondContact O-N 2.82Å; Q710-A712 PolarHBondContact O-N 3.38Å; A712-W715 PolarHBondContact O-N 2.91Å; A712-S716 WeakPolarHBondContact O-CB 3.47Å; A712-S716 PolarHBondContact O-N 2.84Å |
| 713 | I | 92.6 | Very high | 92.7 | Very high | 82 Ų | 82 | 96.7 Ų | 96.7 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 174.5 | -69.2 | 163.5 | 0 | 0 | 0 | 110.5 | N709 Q710 Q711 W715 S716 Q717 | N709-I713 VanDerWaalsContact O-CG1 3.29Å; N709-I713 WeakPolarHBondContact O-CG1 3.46Å; N709-I713 PolarHBondContact O-N 3.34Å; Q710-I713 PolarHBondContact O-N 3.48Å; Q711-I713 PolarHBondContact O-N 3.38Å; I713-W715 VanDerWaalsContact C-N 3.33Å; I713-W715 PolarHBondContact O-N 2.99Å; I713-S716 PolarHBondContact O-N 2.85Å; I713-Q717 WeakPolarHBondContact O-CG 3.41Å; I713-Q717 PolarHBondContact O-N 3.05Å |
| 714 | V | 94.4 | Very high | 92.4 | Very high | 92 Ų | 92 | 96 Ų | 96 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 176 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | Q710 Q711 Q717 L718 | Q710-V714 WeakPolarHBondContact O-CG2 3.37Å; Q710-V714 PolarHBondContact O-N 2.86Å; Q711-V714 PolarHBondContact O-N 3.41Å; V714-Q717 PolarHBondContact O-N 2.96Å; V714-L718 WeakPolarHBondContact O-CB 3.26Å; V714-L718 PolarHBondContact O-N 2.88Å |
| 715 | W | 93.8 | Very high | 91.9 | Very high | 170 Ų | 170 | 91.2 Ų | 91.2 | 64% | 0.644 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 175.7 | -133.1 | 102.4 | 0 | 0 | 0 | 112 | Q711 A712 I713 L718 N719 | Q711-W715 WeakPolarHBondContact O-CB 3.33Å; Q711-W715 PolarHBondContact O-N 3.45Å; A712-W715 PolarHBondContact O-N 2.91Å; I713-W715 VanDerWaalsContact C-N 3.33Å; I713-W715 PolarHBondContact O-N 2.99Å; W715-L718 PolarHBondContact O-N 3.47Å; W715-N719 HydrophobicContact CE3-CB 4.34Å; W715-N719 HydrophobicContact CZ3-CB 4.32Å; W715-N719 WeakPolarHBondContact O-CB 3.26Å; W715-N719 PolarHBondContact O-N 3.46Å |
| 716 | S | 93.5 | Very high | 91.5 | Very high | 55 Ų | 55 | 91.3 Ų | 91.3 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -38 | 175 | -173.3 | 0 | 0 | 0 | 0 | 112.4 | A712 I713 K720 | A712-S716 WeakPolarHBondContact O-CB 3.47Å; A712-S716 PolarHBondContact O-N 2.84Å; I713-S716 PolarHBondContact O-N 2.85Å; S716-K720 WeakPolarHBondContact O-CB 3.3Å; S716-K720 VanDerWaalsContact O-CG 3.27Å; S716-K720 WeakPolarHBondContact O-CG 3.13Å; S716-K720 PolarHBondContact O-N 2.91Å |
| 717 | Q | 91.8 | Very high | 90.7 | Very high | 122 Ų | 122 | 92.5 Ų | 92.5 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.7 | -43 | 173.7 | -71.9 | 177.3 | 5.4 | 0 | 0 | 111.7 | I713 V714 K720 A721 | I713-Q717 WeakPolarHBondContact O-CG 3.41Å; I713-Q717 PolarHBondContact O-N 3.05Å; V714-Q717 PolarHBondContact O-N 2.96Å; Q717-K720 PolarHBondContact O-N 3.41Å; Q717-A721 WeakPolarHBondContact O-CB 3.37Å; Q717-A721 PolarHBondContact O-N 3.06Å |
| 718 | L | 92.2 | Very high | 89.9 | Confident | 110 Ų | 110 | 95.1 Ų | 95.1 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 175.2 | -174.9 | 70.3 | 0 | 0 | 0 | 111.1 | V714 W715 A721 H722 | V714-L718 WeakPolarHBondContact O-CB 3.26Å; V714-L718 PolarHBondContact O-N 2.88Å; W715-L718 PolarHBondContact O-N 3.47Å; L718-A721 PolarHBondContact O-N 3.29Å; L718-H722 WeakPolarHBondContact O-CB 3.34Å; L718-H722 PolarHBondContact O-N 3.45Å |
| 719 | N | 91.3 | Very high | 88.7 | Confident | 61 Ų | 61 | 99 Ų | 99 | 33% | 0.326 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 176.7 | -157.1 | 112.4 | 0 | 0 | 0 | 111.2 | W715 A721 H722 E723 | W715-N719 HydrophobicContact CE3-CB 4.34Å; W715-N719 HydrophobicContact CZ3-CB 4.32Å; W715-N719 WeakPolarHBondContact O-CB 3.26Å; W715-N719 PolarHBondContact O-N 3.46Å; N719-A721 VanDerWaalsContact C-N 3.32Å; N719-A721 PolarHBondContact O-N 3.41Å; N719-H722 WeakPolarHBondContact O-CA 3.34Å; N719-H722 WeakPolarHBondContact O-CB 3.45Å; N719-H722 PolarHBondContact O-N 3.38Å; N719-H722 VanDerWaalsContact O-N 3.09Å; N719-E723 PolarHBondContact ND2-OE1 3.27Å; N719-E723 WeakPolarHBondContact O-CG 3.37Å; N719-E723 PolarHBondContact O-N 3.22Å |
| 720 | K | 92 | Very high | 87.1 | Confident | 141 Ų | 141 | 98.3 Ų | 98.3 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -38.7 | 175.1 | -75.8 | 169.2 | -178.9 | 173.6 | 0 | 112.8 | S716 Q717 H722 A724 | S716-K720 WeakPolarHBondContact O-CB 3.3Å; S716-K720 VanDerWaalsContact O-CG 3.27Å; S716-K720 WeakPolarHBondContact O-CG 3.13Å; S716-K720 PolarHBondContact O-N 2.91Å; Q717-K720 PolarHBondContact O-N 3.41Å; K720-H722 VanDerWaalsContact C-N 3.32Å; K720-A724 VanDerWaalsContact O-CB 3.3Å; K720-A724 WeakPolarHBondContact O-CB 3.38Å; K720-A724 PolarHBondContact O-N 3.48Å |
| 721 | A | 89.3 | Confident | 85.1 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.5 | -32.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q717 L718 N719 A725 | Q717-A721 WeakPolarHBondContact O-CB 3.37Å; Q717-A721 PolarHBondContact O-N 3.06Å; L718-A721 PolarHBondContact O-N 3.29Å; N719-A721 VanDerWaalsContact C-N 3.32Å; N719-A721 PolarHBondContact O-N 3.41Å; A721-A725 VanDerWaalsContact O-CB 3.25Å; A721-A725 WeakPolarHBondContact O-CB 3.32Å; A721-A725 PolarHBondContact O-N 3.36Å |
| 722 | H | 90.6 | Very high | 82.8 | Confident | 117 Ų | 117 | 96.5 Ų | 96.5 | 54% | 0.542 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.2 | -51 | 173.2 | -172.9 | 58.3 | 0 | 0 | 0 | 111.9 | L718 N719 K720 A724 A725 V726 | L718-H722 WeakPolarHBondContact O-CB 3.34Å; L718-H722 PolarHBondContact O-N 3.45Å; N719-H722 WeakPolarHBondContact O-CA 3.34Å; N719-H722 WeakPolarHBondContact O-CB 3.45Å; N719-H722 PolarHBondContact O-N 3.38Å; N719-H722 VanDerWaalsContact O-N 3.09Å; K720-H722 VanDerWaalsContact C-N 3.32Å; H722-A724 VanDerWaalsContact C-N 3.34Å; H722-A724 PolarHBondContact O-N 3.36Å; H722-A725 PolarHBondContact O-N 3Å; H722-A725 VanDerWaalsContact O-N 3.13Å; H722-V726 WeakPolarHBondContact O-CG2 3.47Å; H722-V726 PolarHBondContact O-N 2.94Å |
| 723 | E | 88.6 | Confident | 80.6 | Confident | 99 Ų | 99 | 102.3 Ų | 102.3 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -55.8 | -48.4 | 174.5 | -57.9 | -53 | 151.2 | 0 | 0 | 110.7 | N719 A725 V726 D727 | N719-E723 PolarHBondContact ND2-OE1 3.27Å; N719-E723 WeakPolarHBondContact O-CG 3.37Å; N719-E723 PolarHBondContact O-N 3.22Å; E723-A725 VanDerWaalsContact C-N 3.29Å; E723-A725 PolarHBondContact O-N 3.1Å; E723-V726 CarbonylContact O-C 3.54Å; E723-V726 WeakPolarHBondContact O-CA 3.06Å; E723-V726 WeakPolarHBondContact O-CB 3.47Å; E723-V726 PolarHBondContact O-N 3.15Å; E723-D727 PolarHBondContact O-N 3.35Å |
| 724 | A | 86.3 | Confident | 78.1 | Confident | 48 Ų | 48 | 102.8 Ų | 102.8 | 40% | 0.397 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.6 | -30.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K720 H722 L728 | K720-A724 VanDerWaalsContact O-CB 3.3Å; K720-A724 WeakPolarHBondContact O-CB 3.38Å; K720-A724 PolarHBondContact O-N 3.48Å; H722-A724 VanDerWaalsContact C-N 3.34Å; H722-A724 PolarHBondContact O-N 3.36Å; A724-L728 WeakPolarHBondContact O-CB 3.46Å; A724-L728 VanDerWaalsContact O-CG 3.31Å; A724-L728 WeakPolarHBondContact O-CG 3.31Å; A724-L728 PolarHBondContact O-N 2.97Å; A724-L728 VanDerWaalsContact O-N 3.12Å |
| 725 | A | 85.2 | Confident | 75.6 | Confident | 40 Ų | 40 | 106.9 Ų | 106.9 | 33% | 0.331 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.6 | -34.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A721 H722 E723 L728 L729 | A721-A725 VanDerWaalsContact O-CB 3.25Å; A721-A725 WeakPolarHBondContact O-CB 3.32Å; A721-A725 PolarHBondContact O-N 3.36Å; H722-A725 PolarHBondContact O-N 3Å; H722-A725 VanDerWaalsContact O-N 3.13Å; E723-A725 VanDerWaalsContact C-N 3.29Å; E723-A725 PolarHBondContact O-N 3.1Å; A725-L728 PolarHBondContact O-N 3.06Å; A725-L729 VanDerWaalsContact O-CB 3.3Å; A725-L729 WeakPolarHBondContact O-CB 3.42Å; A725-L729 WeakPolarHBondContact O-CD1 3.38Å; A725-L729 WeakPolarHBondContact O-CG 3.42Å; A725-L729 PolarHBondContact O-N 2.92Å |
| 726 | V | 84.7 | Confident | 73.1 | Confident | 57 Ų | 57 | 106 Ų | 106 | 35% | 0.345 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.3 | -43.4 | 172.3 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | H722 E723 L728 L729 T730 | H722-V726 WeakPolarHBondContact O-CG2 3.47Å; H722-V726 PolarHBondContact O-N 2.94Å; E723-V726 CarbonylContact O-C 3.54Å; E723-V726 WeakPolarHBondContact O-CA 3.06Å; E723-V726 WeakPolarHBondContact O-CB 3.47Å; E723-V726 PolarHBondContact O-N 3.15Å; V726-L728 VanDerWaalsContact C-N 3.34Å; V726-L728 PolarHBondContact O-N 3.11Å; V726-L729 CarbonylContact O-C 3.57Å; V726-L729 PolarHBondContact O-N 3.22Å; V726-T730 VanDerWaalsContact O-CB 3.28Å; V726-T730 WeakPolarHBondContact O-CB 3.38Å; V726-T730 PolarHBondContact O-N 3.5Å; V726-T730 PolarHBondContact O-OG1 2.75Å |
| 727 | D | 78.2 | Confident | 70.4 | Confident | 122 Ų | 122 | 108.4 Ų | 108.4 | 65% | 0.652 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -58.5 | -43.6 | 173.5 | -78.2 | -26.6 | 0 | 0 | 0 | 111.7 | E723 T730 | E723-D727 PolarHBondContact O-N 3.35Å; D727-T730 PolarHBondContact O-N 3.18Å |
| 728 | L | 75.3 | Confident | 67.9 | Low | 155 Ų | 155 | 110.1 Ų | 110.1 | 81% | 0.812 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.1 | -29.6 | 176.4 | -76.5 | 169.1 | 0 | 0 | 0 | 113.8 | A724 A725 V726 | A724-L728 WeakPolarHBondContact O-CB 3.46Å; A724-L728 VanDerWaalsContact O-CG 3.31Å; A724-L728 WeakPolarHBondContact O-CG 3.31Å; A724-L728 PolarHBondContact O-N 2.97Å; A724-L728 VanDerWaalsContact O-N 3.12Å; A725-L728 PolarHBondContact O-N 3.06Å; V726-L728 VanDerWaalsContact C-N 3.34Å; V726-L728 PolarHBondContact O-N 3.11Å |
| 729 | L | 69.6 | Low | 65.6 | Low | 144 Ų | 144 | 112.9 Ų | 112.9 | 75% | 0.754 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -87.3 | -14.1 | 177.5 | -72.6 | 169.1 | 0 | 0 | 0 | 113.2 | A725 V726 P731 | A725-L729 VanDerWaalsContact O-CB 3.3Å; A725-L729 WeakPolarHBondContact O-CB 3.42Å; A725-L729 WeakPolarHBondContact O-CD1 3.38Å; A725-L729 WeakPolarHBondContact O-CG 3.42Å; A725-L729 PolarHBondContact O-N 2.92Å; V726-L729 CarbonylContact O-C 3.57Å; V726-L729 PolarHBondContact O-N 3.22Å; L729-P731 WeakPolarHBondContact O-CD 3.44Å |
| 730 | T | 59.4 | Low | 63 | Low | 84 Ų | 84 | 115 Ų | 115 | 52% | 0.515 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -90.8 | 108.7 | 178.3 | -59.1 | 0 | 0 | 0 | 0 | 109 | V726 D727 A732 | V726-T730 VanDerWaalsContact O-CB 3.28Å; V726-T730 WeakPolarHBondContact O-CB 3.38Å; V726-T730 PolarHBondContact O-N 3.5Å; V726-T730 PolarHBondContact O-OG1 2.75Å; D727-T730 PolarHBondContact O-N 3.18Å; T730-A732 PolarHBondContact O-N 3.42Å |
| 731 | P | 52.6 | Low | 60.8 | Low | 106 Ų | 106 | 114 Ų | 114 | 69% | 0.688 | 67% | 0.669 | S | S | * | * | trans | -62.4 | 137.8 | -179.2 | -20.1 | 33.5 | 0 | 0 | 0 | 110.2 | L729 H733 | L729-P731 WeakPolarHBondContact O-CD 3.44Å; P731-H733 PolarHBondContact O-N 2.98Å | ||
| 732 | A | 44.7 | Very low | 58.5 | Low | 105 Ų | 105 | 116.7 Ų | 116.7 | 87% | 0.868 | 68% | 0.683 | S | S | * | * | trans | -66.2 | 78.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | T730 S734 | T730-A732 PolarHBondContact O-N 3.42Å; A732-S734 PolarHBondContact O-N 3.41Å | ||
| 733 | H | 45.7 | Very low | 55.9 | Low | 178 Ų | 178 | 119.5 Ų | 119.5 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | trans | -89.4 | 98 | -177.5 | -148.3 | 82.2 | 0 | 0 | 0 | 110.7 | P731 | P731-H733 PolarHBondContact O-N 2.98Š| ||
| 734 | S | 41.8 | Very low | 53.6 | Low | 93 Ų | 93 | 122.6 Ų | 122.6 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | trans | -55.9 | 144.1 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | A732 | A732-S734 PolarHBondContact O-N 3.41Š| ||
| 735 | Q | 40.7 | Very low | 51.1 | Low | 177 Ų | 177 | 126.5 Ų | 126.5 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | 64.8 | 99.5 | 164 | -51.9 | 178.1 | 27.7 | 0 | 0 | 117.2 | ||||
| 736 | T | 40.7 | Very low | 48.9 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | -166.2 | 155.5 | 106.4 | 16.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 737 | S | 37.9 | Very low | 46.6 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -115.5 | 162.9 | 179 | 55 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 738 | L | 39.8 | Very low | 44.5 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 72 | 94.3 | 172.5 | -46.3 | 177.8 | 0 | 0 | 0 | 116.4 | ||||
| 739 | I | 42.9 | Very low | 42.9 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | 176.9 | 143.4 | 107.3 | -87.7 | 154.7 | 0 | 0 | 0 | 109.4 | |||||
| 740 | S | 37.2 | Very low | 41.3 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 135 | -174.8 | 175.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 741 | P | 46.4 | Very low | 40.2 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 143.9 | 156.7 | -9.3 | 28 | 0 | 0 | 0 | 111.7 | ||
| 742 | C | 39.1 | Very low | 39.3 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 149.7 | 179 | -174.2 | 0 | 0 | 0 | 0 | 112.8 | L744 | C742-L744 PolarHBondContact O-N 3.42Š|
| 743 | M | 37.1 | Very low | 38.9 | Very low | 175 Ų | 175 | 141 Ų | 141 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 119.9 | 169.1 | -68.7 | -75.7 | -75.2 | 0 | 0 | 111.1 | ||
| 744 | L | 40.7 | Very low | 38.4 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -96.9 | 113.1 | 167.2 | -82.9 | 170 | 0 | 0 | 0 | 109.6 | C742 M746 | C742-L744 PolarHBondContact O-N 3.42Å; L744-M746 PolarHBondContact O-N 3.13Å | ||
| 745 | T | 33.4 | Very low | 38.2 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -71.3 | 113.6 | 175.6 | 48.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 746 | M | 39.7 | Very low | 38.1 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -123 | 76 | 173.1 | -74.5 | -67.7 | -68.4 | 0 | 0 | 110 | L744 S748 | L744-M746 PolarHBondContact O-N 3.13Å; M746-S748 PolarHBondContact O-N 3.24Å | ||
| 747 | E | 34.7 | Very low | 37.8 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -74.9 | 104.9 | 168.9 | -77.1 | -170.3 | 115.4 | 0 | 0 | 110.4 | ||||
| 748 | S | 35.3 | Very low | 37.8 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -173.3 | 154.4 | 166.7 | -86.7 | 0 | 0 | 0 | 0 | 111.8 | M746 | M746-S748 PolarHBondContact O-N 3.24Š| ||
| 749 | P | 40.9 | Very low | 37.7 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | cis | -137.4 | -171.9 | -34 | 39.5 | -23.1 | 0 | 0 | 0 | 111.9 | ||||
| 750 | S | 36 | Very low | 37.5 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 65.8 | 148.3 | 165.5 | 54.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 751 | T | 36.4 | Very low | 37.6 | Very low | 130 Ų | 130 | 142 Ų | 142 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | cis | -138.6 | 135.3 | 31.5 | -63.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 752 | S | 34.4 | Very low | 37.1 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 51% | 0.51 | 78% | 0.776 | S | S | . | * | trans | 16.2 | 120.1 | 162.1 | -156.6 | 0 | 0 | 0 | 0 | 121.2 | Y754 | S752-Y754 WeakPolarHBondContact OG-CD2 3.43Å; S752-Y754 VanDerWaalsContact OG-CE2 3.28Å; S752-Y754 WeakPolarHBondContact OG-CE2 3.31Å | ||
| 753 | R | 35.6 | Very low | 37.1 | Very low | 234 Ų | 234 | 141.1 Ų | 141.1 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -103.5 | 87.3 | 158.1 | -163.9 | -170.9 | -60.7 | 174.2 | 1.8 | 109 | T755 | R753-T755 PolarHBondContact O-N 2.89Š| ||
| 754 | Y | 34.8 | Very low | 37 | Very low | 206 Ų | 206 | 139.2 Ų | 139.2 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -72.8 | 91.9 | -179.2 | -94.8 | -68.8 | 0 | 0 | 0 | 112.6 | S752 | S752-Y754 WeakPolarHBondContact OG-CD2 3.43Å; S752-Y754 VanDerWaalsContact OG-CE2 3.28Å; S752-Y754 WeakPolarHBondContact OG-CE2 3.31Å | ||
| 755 | T | 39.1 | Very low | 36.9 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -85.6 | 102.2 | 159.7 | 46.9 | 0 | 0 | 0 | 0 | 109.6 | R753 A757 | R753-T755 PolarHBondContact O-N 2.89Å; T755-A757 PolarHBondContact O-N 3.33Å | ||
| 756 | I | 37.8 | Very low | 37.1 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -76.8 | 104 | 175.3 | -59 | 176 | 0 | 0 | 0 | 108.9 | ||||
| 757 | A | 35 | Very low | 36.9 | Very low | 99 Ų | 99 | 136 Ų | 136 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -137.1 | 96.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | T755 | T755-A757 PolarHBondContact O-N 3.33Š| ||
| 758 | N | 36.7 | Very low | 37.2 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -131.8 | 118.4 | 178.7 | -172.9 | 17.5 | 0 | 0 | 0 | 110.1 | ||||
| 759 | N | 38.5 | Very low | 37.2 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | trans | 16.1 | 129.2 | 161.6 | -63.8 | -62.9 | 0 | 0 | 0 | 120 | ||||
| 760 | N | 39.6 | Very low | 37.2 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | -133.5 | 141.8 | 116.8 | -105.4 | -39.9 | 0 | 0 | 0 | 110.5 | |||||
| 761 | N | 38.1 | Very low | 37.1 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -63.6 | 161.7 | 169.1 | -73.6 | -49.4 | 0 | 0 | 0 | 109.2 | ||||
| 762 | S | 36.5 | Very low | 36.9 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | cis | -168.7 | 155.6 | 44.8 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 763 | T | 38.4 | Very low | 37.2 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | 39.8 | 143.8 | 150.1 | 49.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 764 | N | 36.1 | Very low | 37.4 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | cis | 167.6 | 153.2 | -20 | -140.9 | 5 | 0 | 0 | 0 | 105 | ||||
| 765 | N | 38.8 | Very low | 37.6 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 66% | 0.658 | 76% | 0.763 | S | S | * | * | trans | 77.4 | 130.8 | 152.7 | -68.8 | -3.3 | 0 | 0 | 0 | 123 | ||||
| 766 | N | 37 | Very low | 37.5 | Very low | 133 Ų | 133 | 131 Ų | 131 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 74.8 | 113.7 | 153 | -55.8 | -18.4 | 0 | 0 | 0 | 117.6 | ||||
| 767 | N | 36.3 | Very low | 37.6 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | 83.1 | 140 | 51.3 | -76 | -22.9 | 0 | 0 | 0 | 114.4 | |||||
| 768 | N | 39.5 | Very low | 37.8 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 108.9 | 93 | -174.7 | -61.8 | -15.6 | 0 | 0 | 0 | 110.2 | ||||
| 769 | N | 36 | Very low | 37.9 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | cis | 74.1 | 146 | 34.3 | -158.3 | 18.3 | 0 | 0 | 0 | 114.5 | ||||
| 770 | T | 40.6 | Very low | 37.8 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | 71 | 135.6 | -170.6 | 72.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 771 | G | 34.9 | Very low | 37.6 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -163.7 | 161.1 | -5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 772 | C | 32.1 | Very low | 37.5 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 91% | 0.905 | 77% | 0.768 | S | S | * | * | trans | -108.7 | 150.4 | 179 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 773 | K | 39.9 | Very low | 37.5 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | trans | -145 | 125.9 | 162.8 | -86.4 | -169.7 | 162 | -74.6 | 0 | 107.2 | ||||
| 774 | E | 39.4 | Very low | 37.2 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | 67.2 | 129 | 100.8 | -61.7 | 160.4 | -168.1 | 0 | 0 | 112.9 | |||||
| 775 | D | 39.3 | Very low | 37.1 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | cis | -163.3 | 170 | -3.8 | -98 | -32.3 | 0 | 0 | 0 | 111.2 | ||||
| 776 | G | 38 | Very low | 36.8 | Very low | 69 Ų | 69 | 145.4 Ų | 145.4 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 99.3 | 104.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 777 | M | 39 | Very low | 36.9 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 80% | 0.803 | 80% | 0.795 | S | S | * | * | 59.1 | 97.8 | 70.6 | -78.4 | -65.9 | -138.3 | 0 | 0 | 116.6 | I779 | M777-I779 HydrophobicContact SD-CD1 4.41Š| |||
| 778 | D | 38.9 | Very low | 36.7 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | 178.5 | 107.6 | 113.4 | -91.1 | -15.8 | 0 | 0 | 0 | 110.2 | |||||
| 779 | I | 38.6 | Very low | 36.3 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | 62.5 | 92.4 | 92 | -58 | 172.2 | 0 | 0 | 0 | 114.6 | M777 | M777-I779 HydrophobicContact SD-CD1 4.41Š| |||
| 780 | C | 36.7 | Very low | 36.3 | Very low | 129 Ų | 129 | 141 Ų | 141 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | -168.6 | 150.3 | 124.5 | -111.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 781 | R | 34.9 | Very low | 36.1 | Very low | 248 Ų | 248 | 145.1 Ų | 145.1 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -112.9 | 138.5 | 176.6 | -65.8 | 168.4 | 166.6 | 174.7 | -5.7 | 110.4 | ||||
| 782 | S | 36.3 | Very low | 36 | Very low | 109 Ų | 109 | 153 Ų | 153 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -165.9 | 112.3 | 138.5 | -162.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 783 | K | 36.4 | Very low | 36.1 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | 32.3 | 114.8 | 137.8 | -58.5 | 174.2 | -179.4 | 176.3 | 0 | 120.8 | ||||
| 784 | N | 33.4 | Very low | 36.2 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | 35.4 | 125.8 | 120.5 | -48.2 | 7.7 | 0 | 0 | 0 | 120 | |||||
| 785 | N | 33.9 | Very low | 36.1 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | -174.4 | 134.7 | 101.2 | -91.7 | -15.6 | 0 | 0 | 0 | 113 | |||||
| 786 | F | 32.4 | Very low | 36.1 | Very low | 207 Ų | 207 | 153.7 Ų | 153.7 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | trans | -90.1 | 149.5 | 153.7 | -84.7 | -93.7 | 0 | 0 | 0 | 109 | ||||
| 787 | P | 38.1 | Very low | 36.1 | Very low | 126 Ų | 126 | 161.3 Ų | 161.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -124.4 | 146.8 | 148.5 | 35.9 | -26 | 0 | 0 | 0 | 111.9 | ||||
| 788 | S | 33 | Very low | 36.2 | Very low | 103 Ų | 103 | 160.6 Ų | 160.6 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -133.8 | 154.4 | 173.6 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 789 | I | 31.1 | Very low | 36.2 | Very low | 148 Ų | 148 | 161 Ų | 161 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | 69.2 | 112.3 | 167 | -55.9 | 160.8 | 0 | 0 | 0 | 117.4 | R791 | I789-R791 HydrophobicContact CG2-CG 4.41Š| ||
| 790 | S | 34.8 | Very low | 36.2 | Very low | 109 Ų | 109 | 160.3 Ų | 160.3 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | -159.5 | 105.1 | 133 | -162.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 791 | R | 37.5 | Very low | 36.2 | Very low | 222 Ų | 222 | 157 Ų | 157 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | 59.4 | 122 | 93.3 | -63.6 | -169 | -168.6 | -160 | 5.9 | 115.5 | I789 | I789-R791 HydrophobicContact CG2-CG 4.41Š| |||
| 792 | Y | 32.5 | Very low | 36.2 | Very low | 242 Ų | 242 | 156.1 Ų | 156.1 | 95% | 0.949 | 81% | 0.809 | S | S | * | * | trans | -6.4 | 132.6 | 157.4 | -89.3 | -99.4 | 0 | 0 | 0 | 119.2 | ||||
| 793 | G | 34.7 | Very low | 36.3 | Very low | 76 Ų | 76 | 159.5 Ų | 159.5 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | 106.6 | 107.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 794 | D | 40.5 | Very low | 36.5 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | -154.8 | 167.8 | 97.2 | -142.8 | -22.4 | 0 | 0 | 0 | 111.9 | |||||
| 795 | L | 38 | Very low | 36.6 | Very low | 142 Ų | 142 | 156.4 Ų | 156.4 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -117.5 | 145.8 | 179.9 | -96.4 | 131.2 | 0 | 0 | 0 | 111.1 | ||||
| 796 | R | 38.5 | Very low | 36.8 | Very low | 218 Ų | 218 | 157 Ų | 157 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | trans | 66.8 | 86 | 161.7 | -57.5 | 163 | 170 | -148.9 | -2.6 | 117.5 | ||||
| 797 | R | 39.5 | Very low | 37.3 | Very low | 230 Ų | 230 | 153 Ų | 153 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -175.9 | 143 | 131.2 | -100.8 | 156.3 | -79.2 | -164.6 | 1.6 | 107.6 | ||||
| 798 | D | 40.1 | Very low | 37.3 | Very low | 147 Ų | 147 | 155.9 Ų | 155.9 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | cis | -125.9 | 161.3 | 15.7 | -75.4 | -59.4 | 0 | 0 | 0 | 114.7 | ||||
| 799 | V | 39.4 | Very low | 37.6 | Very low | 150 Ų | 150 | 157.6 Ų | 157.6 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -137.1 | 103.9 | 170.1 | 176 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 800 | S | 37.8 | Very low | 37.9 | Very low | 119 Ų | 119 | 156.6 Ų | 156.6 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -165.5 | 144.8 | 162.9 | -163.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 801 | G | 38 | Very low | 38.1 | Very low | 61 Ų | 61 | 158.3 Ų | 158.3 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | trans | 87.8 | 80.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 802 | R | 34.6 | Very low | 38 | Very low | 228 Ų | 228 | 157.3 Ų | 157.3 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | 59.8 | 127.5 | 69.4 | -57.1 | 179.7 | 174.7 | -173.3 | -0.3 | 112.1 | |||||
| 803 | K | 39.1 | Very low | 38.6 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | cis | -156.5 | 178.9 | 5.1 | -122.2 | 178.1 | -179 | -167.2 | 0 | 111.6 | ||||
| 804 | T | 39.1 | Very low | 39 | Very low | 111 Ų | 111 | 155.6 Ų | 155.6 | 68% | 0.681 | 80% | 0.804 | S | S | * | * | trans | -39.5 | 158.2 | 173.4 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 805 | D | 37.1 | Very low | 39.2 | Very low | 147 Ų | 147 | 156.3 Ų | 156.3 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | -139.9 | 146.7 | 53.2 | -64.4 | -35.6 | 0 | 0 | 0 | 117.1 | |||||
| 806 | L | 37.1 | Very low | 39.5 | Very low | 165 Ų | 165 | 156.3 Ų | 156.3 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -144.2 | 87.6 | 171 | -96 | 171.9 | 0 | 0 | 0 | 109.4 | K808 | L806-K808 PolarHBondContact O-N 2.97Š| ||
| 807 | S | 43.6 | Very low | 39.4 | Very low | 124 Ų | 124 | 159.1 Ų | 159.1 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | -85.9 | 93.3 | 177.5 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 808 | K | 38.5 | Very low | 39.4 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 81% | 0.809 | 82% | 0.821 | S | S | * | * | trans | -77.4 | 143.3 | 170.9 | -66.1 | -179.7 | 177.2 | -179.3 | 0 | 111.4 | L806 | L806-K808 PolarHBondContact O-N 2.97Š| ||
| 809 | T | 38 | Very low | 39.4 | Very low | 138 Ų | 138 | 156 Ų | 156 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | -139.9 | 76.2 | 156.7 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 810 | T | 36.9 | Very low | 39.4 | Very low | 128 Ų | 128 | 156.3 Ų | 156.3 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -131.5 | 125.1 | 152.8 | -49.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 811 | I | 39.2 | Very low | 39.5 | Very low | 144 Ų | 144 | 158.5 Ų | 158.5 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | -94.5 | 128.2 | -175.2 | -59.4 | 166.6 | 0 | 0 | 0 | 108.5 | ||||
| 812 | F | 36.2 | Very low | 39.6 | Very low | 201 Ų | 201 | 164.6 Ų | 164.6 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -133.9 | 121.3 | 156.1 | -99.2 | -82 | 0 | 0 | 0 | 108.3 | E814 | F812-E814 PolarHBondContact O-N 3.15Š| ||
| 813 | T | 45.1 | Very low | 39.9 | Very low | 124 Ų | 124 | 160.4 Ų | 160.4 | 76% | 0.761 | 83% | 0.826 | S | S | * | * | trans | -87.5 | 108.1 | -176.3 | -46.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 814 | E | 43.6 | Very low | 40 | Very low | 158 Ų | 158 | 158.9 Ų | 158.9 | 74% | 0.738 | 83% | 0.829 | S | S | * | * | trans | -81.2 | 124.9 | 170.8 | -176.1 | 177 | -147.6 | 0 | 0 | 109.9 | F812 N816 | F812-E814 PolarHBondContact O-N 3.15Å; E814-N816 PolarHBondContact OE1-ND2 3.3Å | ||
| 815 | M | 44 | Very low | 40 | Very low | 180 Ų | 180 | 162.6 Ų | 162.6 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | trans | -143.5 | 91.1 | 156.9 | -83.5 | -142 | -67.9 | 0 | 0 | 109.5 | ||||
| 816 | N | 43.4 | Very low | 40.3 | Very low | 143 Ų | 143 | 163.9 Ų | 163.9 | 77% | 0.765 | 85% | 0.845 | S | S | * | * | trans | -66.7 | 133.9 | 163.1 | -85.1 | -57.3 | 0 | 0 | 0 | 110.1 | E814 | E814-N816 PolarHBondContact OE1-ND2 3.3Š| ||
| 817 | K | 38.1 | Very low | 40.6 | Very low | 276 Ų | 276 | 163.8 Ų | 163.8 | 100% | 1.2 | 84% | 0.843 | S | S | * | * | trans | -154.9 | 0 | 159.6 | -146.4 | -173.6 | -175.5 | -172.8 | 0 | 110.9 |
Retrieved 817 of 817 residues in 507.8 ms
(Link to these results)