| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.3 | Very low | 44.4 | Very low | 233 Ų | 233 | 165.2 Ų | 165.2 | 100% | 1.148 | 83% | 0.83 | S | S | * | * | 0 | 135.7 | 0 | -81 | -149.2 | -85 | 0 | 0 | 108.1 | |||||
| 2 | E | 42.5 | Very low | 43.9 | Very low | 156 Ų | 156 | 160.3 Ų | 160.3 | 73% | 0.729 | 82% | 0.819 | S | S | * | * | trans | 69.4 | 130.7 | 166 | -63.6 | -168.4 | 161.4 | 0 | 0 | 116.7 | ||||
| 3 | K | 45.1 | Very low | 44.5 | Very low | 171 Ų | 171 | 158 Ų | 158 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | cis | -155.1 | 129.2 | 9.8 | -100.2 | 146.3 | 177.8 | 148.9 | 0 | 107.9 | ||||
| 4 | Q | 41 | Very low | 43.9 | Very low | 183 Ų | 183 | 163.4 Ų | 163.4 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -66.9 | 136.6 | 161.8 | -76.5 | 171.9 | -8.7 | 0 | 0 | 109.7 | ||||
| 5 | K | 51.3 | Low | 43.7 | Very low | 187 Ų | 187 | 160.7 Ų | 160.7 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | trans | -157.4 | 83.8 | 153.6 | -111.3 | 178.7 | -175.5 | -178.3 | 0 | 110 | ||||
| 6 | P | 53 | Low | 43.3 | Very low | 117 Ų | 117 | 157.4 Ų | 157.4 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -82.6 | 118.5 | 163.8 | 7.3 | 11 | 0 | 0 | 0 | 108.2 | A8 | P6-A8 PolarHBondContact O-N 2.98Š| ||
| 7 | F | 45.9 | Very low | 42.8 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | trans | -66.9 | 113 | 173.4 | -78.4 | -90.7 | 0 | 0 | 0 | 109.8 | L9 | F7-L9 PolarHBondContact O-N 3.1Š| ||
| 8 | A | 45.6 | Very low | 42.5 | Very low | 93 Ų | 93 | 152.1 Ų | 152.1 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -82.2 | 97.5 | 166 | 0 | 0 | 0 | 0 | 0 | 108.4 | P6 | P6-A8 PolarHBondContact O-N 2.98Š| ||
| 9 | L | 43.6 | Very low | 42.4 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -96.5 | 115.1 | 169.5 | -110.2 | 148 | 0 | 0 | 0 | 109 | F7 | F7-L9 PolarHBondContact O-N 3.1Š| ||
| 10 | F | 39.8 | Very low | 42 | Very low | 201 Ų | 201 | 152.8 Ų | 152.8 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -89.4 | 111.2 | -163.7 | -145.1 | -94.6 | 0 | 0 | 0 | 109.6 | ||||
| 11 | V | 38.5 | Very low | 41.8 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 76% | 0.764 | 82% | 0.821 | S | S | * | * | trans | -152.5 | 130.4 | 169.8 | -174.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 12 | P | 38 | Very low | 41.7 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | cis | -139.1 | 161.9 | 21 | 35.8 | -15.6 | 0 | 0 | 0 | 116.4 | ||||
| 13 | P | 51.4 | Low | 41.3 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -96.4 | 130 | 153.9 | -2.1 | 22.2 | 0 | 0 | 0 | 110.8 | ||||
| 14 | R | 36.2 | Very low | 40.8 | Very low | 233 Ų | 233 | 143.9 Ų | 143.9 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -63.8 | 146.4 | 178.9 | -69.9 | 171.6 | 173.1 | 165.7 | -3.2 | 112 | S16 | R14-S16 PolarHBondContact O-N 3.19Š| ||
| 15 | S | 41.4 | Very low | 41 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -43.5 | 111.1 | 165.2 | 32.2 | 0 | 0 | 0 | 0 | 112 | S17 | S15-S17 PolarHBondContact O-N 3.16Š| ||
| 16 | S | 37.3 | Very low | 40.1 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -73.4 | 113.7 | 169.5 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | R14 S18 | R14-S16 PolarHBondContact O-N 3.19Å; S16-S18 PolarHBondContact O-N 3.19Å | ||
| 17 | S | 35.2 | Very low | 39.1 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -65.1 | 107.4 | 163.2 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | S15 | S15-S17 PolarHBondContact O-N 3.16Š| ||
| 18 | S | 36.7 | Very low | 38.5 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -171.2 | 105.7 | 154.5 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | S16 | S16-S18 PolarHBondContact O-N 3.19Š| ||
| 19 | Q | 40.2 | Very low | 37.9 | Very low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | 173.2 | 83.7 | 141.8 | -99 | 174.2 | -9 | 0 | 0 | 106.7 | ||||
| 20 | V | 34.3 | Very low | 37.5 | Very low | 131 Ų | 131 | 135 Ų | 135 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | 68.6 | 83.3 | 96.4 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | A22 | V20-A22 PolarHBondContact O-N 3.11Š| |||
| 21 | S | 37.9 | Very low | 37 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -70.1 | 105.4 | 161 | 174.5 | 0 | 0 | 0 | 0 | 107.5 | V23 | S21-V23 PolarHBondContact O-N 3.37Š| ||
| 22 | A | 40.1 | Very low | 36.9 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 69% | 0.694 | 81% | 0.807 | S | S | * | * | trans | -75 | 111.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | V20 | V20-A22 PolarHBondContact O-N 3.11Š| ||
| 23 | V | 34.3 | Very low | 36.6 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | trans | 46.6 | 102.6 | 132.8 | -170.9 | 0 | 0 | 0 | 0 | 117.5 | S21 | S21-V23 PolarHBondContact O-N 3.37Š| ||
| 24 | K | 35.5 | Very low | 35.7 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -51.7 | 125.9 | 154.9 | -164.5 | 176.8 | -170.4 | 175.6 | 0 | 111.2 | Q26 | K24-Q26 PolarHBondContact O-N 3.48Š| ||
| 25 | P | 45.1 | Very low | 35.5 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -75.7 | 123.8 | 168.1 | 26.5 | -24.6 | 0 | 0 | 0 | 109.3 | ||||
| 26 | Q | 32.9 | Very low | 35 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -107.4 | 126.6 | 176.1 | -149.1 | 175.1 | 3.5 | 0 | 0 | 107.3 | K24 | K24-Q26 PolarHBondContact O-N 3.48Š| ||
| 27 | T | 31.5 | Very low | 34.6 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | trans | 48.8 | 119.9 | 145.5 | 53.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 28 | L | 33.1 | Very low | 34.5 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | 162.8 | 134.8 | 111.6 | -101.7 | 116.8 | 0 | 0 | 0 | 111 | |||||
| 29 | G | 33.3 | Very low | 34.3 | Very low | 84 Ų | 84 | 146 Ų | 146 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | 112.4 | 108.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 30 | G | 35.3 | Very low | 34.1 | Very low | 78 Ų | 78 | 146.7 Ų | 146.7 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 148.8 | 65.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S32 | G30-S32 PolarHBondContact O-N 3.28Š| ||
| 31 | D | 29.7 | Very low | 33.8 | Very low | 173 Ų | 173 | 145.8 Ų | 145.8 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -56.5 | 125.5 | 160.5 | -79.1 | -43.1 | 0 | 0 | 0 | 110.9 | ||||
| 32 | S | 35.3 | Very low | 33.7 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -162.6 | 105.5 | 140 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | G30 F34 | G30-S32 PolarHBondContact O-N 3.28Å; S32-F34 PolarHBondContact O-N 3.45Å | ||
| 33 | T | 31.3 | Very low | 33.4 | Very low | 139 Ų | 139 | 149.9 Ų | 149.9 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -61.6 | 113.4 | 163.6 | 40.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 34 | F | 32.9 | Very low | 33.4 | Very low | 183 Ų | 183 | 150.4 Ų | 150.4 | 80% | 0.803 | 82% | 0.819 | S | S | * | * | trans | -140.8 | 143.4 | 159.1 | -94 | -86.6 | 0 | 0 | 0 | 109.2 | S32 | S32-F34 PolarHBondContact O-N 3.45Š| ||
| 35 | F | 31.6 | Very low | 33.4 | Very low | 211 Ų | 211 | 148.5 Ų | 148.5 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | 88.2 | 69.2 | -177.6 | -64 | -84.2 | 0 | 0 | 0 | 117.2 | ||||
| 36 | K | 32.2 | Very low | 32.9 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -127.5 | 113.4 | 146 | -164.1 | 169.4 | -178.3 | 176.2 | 0 | 110.2 | ||||
| 37 | S | 28.8 | Very low | 32.9 | Very low | 100 Ų | 100 | 151.4 Ų | 151.4 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | trans | 48.7 | 97.3 | 154.5 | 64.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 38 | F | 32.3 | Very low | 33.1 | Very low | 221 Ų | 221 | 154.2 Ų | 154.2 | 97% | 0.969 | 82% | 0.821 | S | S | * | * | trans | -90.8 | 107.3 | 147.9 | -83 | -88.1 | 0 | 0 | 0 | 108.2 | ||||
| 39 | N | 31.8 | Very low | 33.3 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -145.9 | 86.7 | 162.6 | -143.9 | 5.4 | 0 | 0 | 0 | 106.9 | ||||
| 40 | K | 35.9 | Very low | 33.2 | Very low | 202 Ų | 202 | 155.8 Ų | 155.8 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | -141.9 | 102.6 | 163.4 | -93.8 | -171.8 | 177.7 | -178.2 | 0 | 107.6 | ||||
| 41 | C | 28.3 | Very low | 33 | Very low | 111 Ų | 111 | 156.1 Ų | 156.1 | 75% | 0.75 | 80% | 0.804 | S | S | * | * | trans | -70.6 | 125.2 | 162 | -164.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 42 | T | 37.2 | Very low | 33.3 | Very low | 123 Ų | 123 | 157.1 Ų | 157.1 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -143.1 | 93.7 | 159.4 | 40.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 43 | E | 33.6 | Very low | 33.1 | Very low | 173 Ų | 173 | 157.6 Ų | 157.6 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -60 | 121.7 | 152.2 | -80.8 | 166 | 148 | 0 | 0 | 107.1 | ||||
| 44 | D | 34 | Very low | 33.1 | Very low | 140 Ų | 140 | 157.8 Ų | 157.8 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -124.9 | 102.2 | 163.6 | -113.6 | -15.9 | 0 | 0 | 0 | 106.1 | F46 | D44-F46 PolarHBondContact O-N 2.9Š| ||
| 45 | D | 35.1 | Very low | 33.1 | Very low | 148 Ų | 148 | 156.5 Ų | 156.5 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -62.8 | 107 | 170.5 | -77.7 | -44.1 | 0 | 0 | 0 | 109.6 | ||||
| 46 | F | 34.4 | Very low | 33.2 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -97.5 | 84.9 | 159.9 | -90.9 | -85.8 | 0 | 0 | 0 | 109.1 | D44 F48 | D44-F46 PolarHBondContact O-N 2.9Å; F46-F48 PolarHBondContact O-N 2.94Å | ||
| 47 | E | 32.5 | Very low | 33.4 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -60.3 | 115.1 | 159.6 | -70.3 | -174.1 | 152.1 | 0 | 0 | 109.2 | P49 | E47-P49 WeakPolarHBondContact O-CD 3.49Š| ||
| 48 | F | 37.4 | Very low | 33.6 | Very low | 168 Ų | 168 | 152.7 Ų | 152.7 | 74% | 0.737 | 79% | 0.785 | S | S | * | * | trans | -101.1 | 108.7 | 167.4 | -115.7 | -87.2 | 0 | 0 | 0 | 109.2 | F46 F50 | F46-F48 PolarHBondContact O-N 2.94Å; F48-F50 HydrophobicContact CD1-CD2 4.44Å; F48-F50 HydrophobicContact CD1-CE2 4.42Å; F48-F50 PolarHBondContact O-N 3.49Å | ||
| 49 | P | 36 | Very low | 33.5 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -85.3 | 93.8 | 178.8 | 32.1 | -29.7 | 0 | 0 | 0 | 109.5 | E47 A51 | E47-P49 WeakPolarHBondContact O-CD 3.49Å; P49-A51 PolarHBondContact O-N 3.39Å | ||
| 50 | F | 32 | Very low | 33.5 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | trans | -85.6 | 87.4 | 165 | -105.7 | -84.5 | 0 | 0 | 0 | 109.9 | F48 K52 | F48-F50 HydrophobicContact CD1-CD2 4.44Å; F48-F50 HydrophobicContact CD1-CE2 4.42Å; F48-F50 PolarHBondContact O-N 3.49Å; F50-K52 PolarHBondContact O-N 3.29Å | ||
| 51 | A | 31.2 | Very low | 33.2 | Very low | 85 Ų | 85 | 144.4 Ų | 144.4 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | trans | -64.2 | 99.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | P49 T53 | P49-A51 PolarHBondContact O-N 3.39Å; A51-T53 PolarHBondContact O-N 3.36Å | ||
| 52 | K | 34.8 | Very low | 33.4 | Very low | 195 Ų | 195 | 146.5 Ų | 146.5 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -84 | 91.6 | 165.4 | -84.5 | -178.7 | 177.5 | 174.5 | 0 | 108.7 | F50 N54 | F50-K52 PolarHBondContact O-N 3.29Å; K52-N54 PolarHBondContact O-N 3.25Å | ||
| 53 | T | 32 | Very low | 33.2 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | trans | -78.5 | 114.9 | 170.6 | -43.1 | 0 | 0 | 0 | 0 | 109.4 | A51 | A51-T53 PolarHBondContact O-N 3.36Š| ||
| 54 | N | 30.3 | Very low | 33.4 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | 41.9 | 99.2 | 144.6 | -55.2 | -34.1 | 0 | 0 | 0 | 118.4 | K52 | K52-N54 PolarHBondContact O-N 3.25Š| ||
| 55 | L | 33 | Very low | 33.3 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | -111 | 83.9 | 150.2 | -149.6 | 80.1 | 0 | 0 | 0 | 107.9 | K57 | L55-K57 PolarHBondContact O-N 3.5Š| ||
| 56 | S | 35.4 | Very low | 33.3 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -73.7 | 105.5 | 167.2 | -176.7 | 0 | 0 | 0 | 0 | 108 | N58 | S56-N58 PolarHBondContact O-N 2.97Š| ||
| 57 | K | 35.6 | Very low | 33.1 | Very low | 180 Ų | 180 | 138 Ų | 138 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -85.2 | 83.2 | 167.8 | -74.2 | -179.7 | 176.1 | 179.8 | 0 | 108 | L55 | L55-K57 PolarHBondContact O-N 3.5Š| ||
| 58 | N | 32.5 | Very low | 33 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | -88.5 | 98.7 | 156.5 | -82.3 | 1.8 | 0 | 0 | 0 | 107.1 | S56 E60 | S56-N58 PolarHBondContact O-N 2.97Å; N58-E60 PolarHBondContact O-N 3.03Å | ||
| 59 | G | 30.4 | Very low | 32.6 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -75.2 | 95.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | N61 | G59-N61 PolarHBondContact O-N 3.4Š| ||
| 60 | E | 31.2 | Very low | 32.4 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -77.9 | 100.2 | 158.6 | -84.1 | 178.4 | 150 | 0 | 0 | 107.9 | N58 | N58-E60 PolarHBondContact O-N 3.03Š| ||
| 61 | N | 31.1 | Very low | 32.2 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -85.3 | 95.5 | 155.6 | -78.7 | -53.7 | 0 | 0 | 0 | 106.9 | G59 | G59-N61 PolarHBondContact O-N 3.4Š| ||
| 62 | I | 32.2 | Very low | 32 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | trans | -114.5 | 98.7 | 155.3 | -61 | 176.7 | 0 | 0 | 0 | 104.5 | ||||
| 63 | D | 31.7 | Very low | 31.7 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -121.1 | 146.2 | 169.2 | -164.2 | 4.5 | 0 | 0 | 0 | 108 | ||||
| 64 | S | 37.8 | Very low | 31.6 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | 83.1 | 73.4 | -179.4 | -51.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 65 | D | 32.7 | Very low | 31.7 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -51.2 | 132.8 | 154.7 | -176.4 | 21.4 | 0 | 0 | 0 | 112.9 | ||||
| 66 | P | 34.2 | Very low | 31.5 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | trans | -78.5 | 130 | 172.6 | 31.1 | -33.3 | 0 | 0 | 0 | 112.3 | L68 | P66-L68 PolarHBondContact O-N 3.38Š| ||
| 67 | A | 30.3 | Very low | 31.2 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 44.6 | 74.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q69 | A67-Q69 VanDerWaalsContact C-N 3.25Å; A67-Q69 PolarHBondContact O-N 3.13Å | ||
| 68 | L | 32 | Very low | 30.8 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -68 | 92.1 | 153.6 | -81.6 | 176.5 | 0 | 0 | 0 | 109.8 | P66 K70 | P66-L68 PolarHBondContact O-N 3.38Å; L68-K70 PolarHBondContact O-N 3.37Å; L68-K70 VanDerWaalsContact O-N 3.08Å | ||
| 69 | Q | 27.7 | Very low | 30.7 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -35.2 | 105.8 | 148.7 | -78.4 | 172.9 | -22.4 | 0 | 0 | 110.6 | A67 V71 | A67-Q69 VanDerWaalsContact C-N 3.25Å; A67-Q69 PolarHBondContact O-N 3.13Å; Q69-V71 HydrophobicContact CB-CG2 4.19Å; Q69-V71 HydrophobicContact CG-CG2 4.38Å | ||
| 70 | K | 32.6 | Very low | 30.4 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -110.1 | 81.2 | 152.7 | -138.2 | 173 | -172.6 | 177.4 | 0 | 107.9 | L68 | L68-K70 PolarHBondContact O-N 3.37Å; L68-K70 VanDerWaalsContact O-N 3.08Å | ||
| 71 | V | 26.8 | Very low | 30.3 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 58% | 0.576 | 77% | 0.77 | S | S | * | * | trans | -72.3 | 144.8 | 170.1 | 163 | 0 | 0 | 0 | 0 | 109.1 | Q69 | Q69-V71 HydrophobicContact CB-CG2 4.19Å; Q69-V71 HydrophobicContact CG-CG2 4.38Å | ||
| 72 | N | 27.7 | Very low | 30.3 | Very low | 117 Ų | 117 | 141 Ų | 141 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | trans | 67.7 | 96.5 | 158.3 | -63.7 | -12.4 | 0 | 0 | 0 | 119.3 | ||||
| 73 | F | 28.4 | Very low | 30 | Very low | 213 Ų | 213 | 138.5 Ų | 138.5 | 93% | 0.934 | 77% | 0.768 | S | S | * | * | -115.7 | 100.9 | 125.8 | -77.1 | -78.8 | 0 | 0 | 0 | 108 | |||||
| 74 | L | 29.5 | Very low | 29.7 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -66.5 | 150.4 | 165 | -85 | 163.4 | 0 | 0 | 0 | 110.1 | ||||
| 75 | P | 33.1 | Very low | 29 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | trans | -72 | 133.4 | 173.1 | -5.7 | 23.1 | 0 | 0 | 0 | 110.4 | ||||
| 76 | V | 27.8 | Very low | 29 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -124.6 | 144.7 | 178.2 | 167.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 77 | L | 30.5 | Very low | 28.6 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 81 | 90.9 | 178.5 | -108.7 | 66.8 | 0 | 0 | 0 | 114.1 | ||||
| 78 | E | 27.5 | Very low | 28.5 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | 55.4 | 88.8 | 55.7 | -153.7 | 173.8 | -160.5 | 0 | 0 | 112.6 | |||||
| 79 | Q | 29.1 | Very low | 28.7 | Very low | 203 Ų | 203 | 152.5 Ų | 152.5 | 95% | 0.949 | 79% | 0.789 | S | S | * | * | trans | -121.8 | 93 | 148.2 | -81.5 | -176.2 | 12.6 | 0 | 0 | 106.8 | ||||
| 80 | V | 25.4 | Very low | 28.6 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -124.4 | 132 | 163.9 | 170.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 81 | G | 29.1 | Very low | 28.5 | Very low | 56 Ų | 56 | 145.4 Ų | 145.4 | 58% | 0.577 | 78% | 0.78 | S | S | * | * | trans | 134.8 | 89.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 82 | N | 30 | Very low | 28.7 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | 164.4 | 118.9 | 96.8 | -76.8 | -21.8 | 0 | 0 | 0 | 110.3 | |||||
| 83 | S | 26.2 | Very low | 28.8 | Very low | 104 Ų | 104 | 150 Ų | 150 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -77.8 | 158.2 | 166 | -152.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 84 | D | 25.2 | Very low | 29.1 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | 63.8 | 107.3 | 146.5 | -82.3 | -50.5 | 0 | 0 | 0 | 122.7 | ||||
| 85 | C | 22.8 | Very low | 29.1 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | 50.2 | 107.7 | 106 | -55 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 86 | H | 32.8 | Very low | 28.9 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | -127.3 | 103.2 | 143.1 | -98.6 | -65.9 | 0 | 0 | 0 | 109 | ||||
| 87 | Y | 26.5 | Very low | 29.3 | Very low | 218 Ų | 218 | 148 Ų | 148 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -97.5 | 163.3 | 154.9 | -86.5 | -85.8 | 0 | 0 | 0 | 108.2 | ||||
| 88 | Q | 29 | Very low | 29.5 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | 100 | 87.4 | 155.6 | -143.5 | 165.8 | 18 | 0 | 0 | 115.9 | ||||
| 89 | E | 34.4 | Very low | 30.2 | Very low | 203 Ų | 203 | 146 Ų | 146 | 95% | 0.949 | 79% | 0.787 | S | S | * | * | trans | -137.1 | 120.8 | 141.9 | -159.6 | 166 | -151.9 | 0 | 0 | 107.5 | ||||
| 90 | G | 27.2 | Very low | 31 | Very low | 59 Ų | 59 | 143.9 Ų | 143.9 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | trans | -118 | 160.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 91 | L | 29.7 | Very low | 32.3 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | trans | 72.6 | 112.2 | 152.1 | -58.6 | 165.2 | 0 | 0 | 0 | 116.7 | ||||
| 92 | K | 31.7 | Very low | 33.5 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | 173.1 | 128.4 | 119.1 | -87.5 | -96.7 | -179.9 | 176.6 | 0 | 112.8 | |||||
| 93 | D | 29.5 | Very low | 35 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | trans | 79.2 | 113.1 | 142 | -61.3 | -16.4 | 0 | 0 | 0 | 122.7 | ||||
| 94 | S | 34.6 | Very low | 36.8 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | 57.5 | 106 | 135 | 60.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 95 | D | 29.1 | Very low | 39.1 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | 79.7 | 112.9 | 72.6 | -72.9 | -32.7 | 0 | 0 | 0 | 113.3 | |||||
| 96 | L | 28.5 | Very low | 41.5 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | 69.7 | 126.1 | 149.4 | -111.8 | 61.8 | 0 | 0 | 0 | 116.9 | ||||
| 97 | E | 35.8 | Very low | 43.7 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | cis | -154.3 | 119.9 | 30.9 | -84.8 | 174.8 | 161.5 | 0 | 0 | 113 | ||||
| 98 | N | 36.3 | Very low | 46.2 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | trans | 45.3 | 77 | 131.2 | -64.1 | -19 | 0 | 0 | 0 | 121.8 | ||||
| 99 | S | 41.8 | Very low | 48.8 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | S | Bend | -177.1 | -1.8 | 117.9 | -171.7 | 0 | 0 | 0 | 0 | 114.7 | |||
| 100 | E | 45 | Very low | 51.3 | Low | 159 Ų | 159 | 126.9 Ų | 126.9 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -103.5 | 21.8 | -178.8 | -68.9 | -170.3 | 161.6 | 0 | 0 | 115.6 | L102 S103 | E100-L102 PolarHBondContact O-N 3.26Å; E100-L102 VanDerWaalsContact O-N 3.11Å; E100-S103 PolarHBondContact O-N 2.82Å | ||
| 101 | G | 52.8 | Low | 54 | Low | 41 Ų | 41 | 131.1 Ų | 131.1 | 42% | 0.423 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -58.4 | -19.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 102 | L | 55 | Low | 56.6 | Low | 116 Ų | 116 | 127.3 Ų | 127.3 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.3 | -38.1 | 176.3 | -166.4 | 65.6 | 0 | 0 | 0 | 112.5 | E100 R104 V105 Y106 | E100-L102 PolarHBondContact O-N 3.26Å; E100-L102 VanDerWaalsContact O-N 3.11Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 3.37Å; L102-V105 PolarHBondContact O-N 2.93Å; L102-Y106 HydrophobicContact CD1-CD2 4.31Å; L102-Y106 HydrophobicContact CD1-CE2 3.94Å; L102-Y106 HydrophobicContact CD2-CE2 4.14Å; L102-Y106 HydrophobicContact CG-CD2 3.9Å; L102-Y106 HydrophobicContact CG-CE2 3.74Å; L102-Y106 WeakPolarHBondContact O-CD2 3.4Å; L102-Y106 PolarHBondContact O-N 3.03Å; L102-Y106 VanDerWaalsContact O-N 3.16Å |
| 103 | S | 60.6 | Low | 59 | Low | 65 Ų | 65 | 121.1 Ų | 121.1 | 46% | 0.455 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.2 | -28.7 | -175 | -63.6 | 0 | 0 | 0 | 0 | 113.8 | E100 S107 | E100-S103 PolarHBondContact O-N 2.82Å; S103-S107 WeakPolarHBondContact O-CB 3.33Å; S103-S107 PolarHBondContact O-N 3.18Å; S103-S107 VanDerWaalsContact O-N 3.1Å; S103-S107 PolarHBondContact O-OG 3.02Å |
| 104 | R | 64.5 | Low | 61.8 | Low | 172 Ų | 172 | 118.4 Ų | 118.4 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.1 | -31.3 | 174.7 | -174.4 | 168.9 | 64.2 | -131.9 | 2.5 | 112.7 | L102 | L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 3.37Å |
| 105 | V | 72.7 | Confident | 64.4 | Low | 95 Ų | 95 | 119.6 Ų | 119.6 | 58% | 0.576 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.1 | -43.1 | 177.6 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | L102 S107 K108 L109 | L102-V105 PolarHBondContact O-N 2.93Å; V105-S107 PolarHBondContact O-N 3.03Å; V105-K108 PolarHBondContact O-N 3.38Å; V105-L109 VanDerWaalsContact O-CB 3.29Å; V105-L109 WeakPolarHBondContact O-CB 3.41Å; V105-L109 PolarHBondContact O-N 2.92Å |
| 106 | Y | 74.2 | Confident | 67.3 | Low | 153 Ų | 153 | 117.8 Ų | 117.8 | 60% | 0.6 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61 | -42.6 | 176.2 | -89.5 | -75.3 | 0 | 0 | 0 | 113.6 | L102 K108 L109 Y110 | L102-Y106 HydrophobicContact CD1-CD2 4.31Å; L102-Y106 HydrophobicContact CD1-CE2 3.94Å; L102-Y106 HydrophobicContact CD2-CE2 4.14Å; L102-Y106 HydrophobicContact CG-CD2 3.9Å; L102-Y106 HydrophobicContact CG-CE2 3.74Å; L102-Y106 WeakPolarHBondContact O-CD2 3.4Å; L102-Y106 PolarHBondContact O-N 3.03Å; L102-Y106 VanDerWaalsContact O-N 3.16Å; Y106-K108 PolarHBondContact O-N 2.96Å; Y106-L109 PolarHBondContact O-N 3.41Å; Y106-Y110 WeakPolarHBondContact O-CB 3.29Å; Y106-Y110 PolarHBondContact O-N 3.4Å |
| 107 | S | 79.4 | Confident | 70.2 | Confident | 71 Ų | 71 | 116.6 Ų | 116.6 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.7 | -35.7 | -177.4 | -62.1 | 0 | 0 | 0 | 0 | 113.4 | S103 V105 K111 | S103-S107 WeakPolarHBondContact O-CB 3.33Å; S103-S107 PolarHBondContact O-N 3.18Å; S103-S107 VanDerWaalsContact O-N 3.1Å; S103-S107 PolarHBondContact O-OG 3.02Å; V105-S107 PolarHBondContact O-N 3.03Å; S107-K111 PolarHBondContact O-N 3.33Å |
| 108 | K | 78.6 | Confident | 72.7 | Confident | 151 Ų | 151 | 116.3 Ų | 116.3 | 66% | 0.657 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.8 | -42.6 | 174.5 | -72.3 | -175.5 | 177.7 | -174.1 | 0 | 111.2 | V105 Y106 Y110 K111 E112 | V105-K108 PolarHBondContact O-N 3.38Å; Y106-K108 PolarHBondContact O-N 2.96Å; K108-Y110 VanDerWaalsContact C-N 3.27Å; K108-Y110 PolarHBondContact O-N 2.85Å; K108-K111 PolarHBondContact O-N 3.03Å; K108-E112 PolarHBondContact O-N 2.96Å; K108-E112 VanDerWaalsContact O-N 3.13Å |
| 109 | L | 84.2 | Confident | 75.4 | Confident | 112 Ų | 112 | 118.1 Ų | 118.1 | 59% | 0.586 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.8 | -39.4 | 175.4 | -173.8 | 65.6 | 0 | 0 | 0 | 111.9 | V105 Y106 A113 | V105-L109 VanDerWaalsContact O-CB 3.29Å; V105-L109 WeakPolarHBondContact O-CB 3.41Å; V105-L109 PolarHBondContact O-N 2.92Å; Y106-L109 PolarHBondContact O-N 3.41Å; L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 3.41Å |
| 110 | Y | 85.3 | Confident | 77.8 | Confident | 164 Ų | 164 | 119 Ų | 119 | 64% | 0.643 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.9 | -45.5 | 179 | -165.4 | -89.3 | 0 | 0 | 0 | 113.1 | Y106 K108 E112 A113 E114 | Y106-Y110 WeakPolarHBondContact O-CB 3.29Å; Y106-Y110 PolarHBondContact O-N 3.4Å; K108-Y110 VanDerWaalsContact C-N 3.27Å; K108-Y110 PolarHBondContact O-N 2.85Å; Y110-E112 VanDerWaalsContact C-N 3.27Å; Y110-E112 PolarHBondContact O-N 3.33Å; Y110-A113 PolarHBondContact O-N 3.43Å; Y110-E114 HydrophobicContact CE1-CG 4.19Å; Y110-E114 PolarHBondContact O-N 3.37Å |
| 111 | K | 84 | Confident | 80.1 | Confident | 149 Ų | 149 | 115.7 Ų | 115.7 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.4 | -38 | 177.1 | -74.5 | -177.1 | 179.5 | -177 | 0 | 111.9 | S107 K108 E114 K115 | S107-K111 PolarHBondContact O-N 3.33Å; K108-K111 PolarHBondContact O-N 3.03Å; K111-E114 PolarHBondContact O-N 3.42Å; K111-K115 PolarHBondContact O-N 3.42Å |
| 112 | E | 84.4 | Confident | 81.9 | Confident | 92 Ų | 92 | 116.8 Ų | 116.8 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.6 | -36.6 | 177.7 | -138.1 | 57.7 | -158.3 | 0 | 0 | 111.9 | K108 Y110 E114 K115 I116 | K108-E112 PolarHBondContact O-N 2.96Å; K108-E112 VanDerWaalsContact O-N 3.13Å; Y110-E112 VanDerWaalsContact C-N 3.27Å; Y110-E112 PolarHBondContact O-N 3.33Å; E112-E114 VanDerWaalsContact C-N 3.31Å; E112-E114 PolarHBondContact O-N 2.88Å; E112-K115 PolarHBondContact O-N 3.12Å; E112-K115 IonicContact OE1-NZ 3.18Å; E112-K115 PolarHBondContact OE1-NZ 2.9Å; E112-K115 IonicContact OE2-NZ 2.82Å; E112-K115 PolarHBondContact OE2-NZ 2.96Å; E112-I116 VanDerWaalsContact O-CG1 3.29Å; E112-I116 WeakPolarHBondContact O-CG1 3.32Å; E112-I116 PolarHBondContact O-N 2.89Å |
| 113 | A | 83.1 | Confident | 83.6 | Confident | 52 Ų | 52 | 113.8 Ų | 113.8 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L109 Y110 I116 K117 | L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 3.41Å; Y110-A113 PolarHBondContact O-N 3.43Å; A113-I116 PolarHBondContact O-N 3.49Å; A113-K117 WeakPolarHBondContact O-CB 3.29Å; A113-K117 PolarHBondContact O-N 3.03Å |
| 114 | E | 87.5 | Confident | 85.1 | Confident | 68 Ų | 68 | 115.7 Ų | 115.7 | 32% | 0.318 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.8 | -36.9 | 176.5 | -89.3 | -66.1 | 137.8 | 0 | 0 | 113 | Y110 K111 E112 K117 K118 | Y110-E114 HydrophobicContact CE1-CG 4.19Å; Y110-E114 PolarHBondContact O-N 3.37Å; K111-E114 PolarHBondContact O-N 3.42Å; E112-E114 VanDerWaalsContact C-N 3.31Å; E112-E114 PolarHBondContact O-N 2.88Å; E114-K117 PolarHBondContact O-N 3.21Å; E114-K117 WeakPolarHBondContact OE1-CD 3.39Å; E114-K117 IonicContact OE1-NZ 2.9Å; E114-K117 PolarHBondContact OE1-NZ 3.33Å; E114-K118 PolarHBondContact O-N 3.37Å |
| 115 | K | 90.5 | Very high | 86.4 | Confident | 124 Ų | 124 | 110.4 Ų | 110.4 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 171.3 | -70.5 | 179 | -168.2 | 158.3 | 0 | 111.4 | K111 E112 K117 K118 W119 | K111-K115 PolarHBondContact O-N 3.42Å; E112-K115 PolarHBondContact O-N 3.12Å; E112-K115 IonicContact OE1-NZ 3.18Å; E112-K115 PolarHBondContact OE1-NZ 2.9Å; E112-K115 IonicContact OE2-NZ 2.82Å; E112-K115 PolarHBondContact OE2-NZ 2.96Å; K115-K117 VanDerWaalsContact C-N 3.29Å; K115-K117 PolarHBondContact O-N 3.3Å; K115-K118 PolarHBondContact O-N 2.97Å; K115-W119 WeakPolarHBondContact O-CB 3.44Å; K115-W119 PolarHBondContact O-N 3.47Å |
| 116 | I | 88.6 | Confident | 87.3 | Confident | 112 Ų | 112 | 111 Ų | 111 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.9 | -40.8 | 177.5 | -68.1 | 165.5 | 0 | 0 | 0 | 110.7 | E112 A113 W119 K120 | E112-I116 VanDerWaalsContact O-CG1 3.29Å; E112-I116 WeakPolarHBondContact O-CG1 3.32Å; E112-I116 PolarHBondContact O-N 2.89Å; A113-I116 PolarHBondContact O-N 3.49Å; I116-W119 PolarHBondContact O-N 2.92Å; I116-K120 WeakPolarHBondContact O-CB 3.33Å; I116-K120 PolarHBondContact O-N 3.44Å |
| 117 | K | 89.6 | Confident | 88.2 | Confident | 118 Ų | 118 | 109 Ų | 109 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 177.8 | -175.8 | -177.3 | 169 | -168.7 | 0 | 112.4 | A113 E114 K115 W119 K120 V121 | A113-K117 WeakPolarHBondContact O-CB 3.29Å; A113-K117 PolarHBondContact O-N 3.03Å; E114-K117 PolarHBondContact O-N 3.21Å; E114-K117 WeakPolarHBondContact OE1-CD 3.39Å; E114-K117 IonicContact OE1-NZ 2.9Å; E114-K117 PolarHBondContact OE1-NZ 3.33Å; K115-K117 VanDerWaalsContact C-N 3.29Å; K115-K117 PolarHBondContact O-N 3.3Å; K117-W119 VanDerWaalsContact C-N 3.34Å; K117-K120 PolarHBondContact O-N 3.44Å; K117-V121 WeakPolarHBondContact O-CG2 3.47Å; K117-V121 PolarHBondContact O-N 3Å |
| 118 | K | 89 | Confident | 88.8 | Confident | 157 Ų | 157 | 115.2 Ų | 115.2 | 68% | 0.683 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 173.9 | -86.2 | -174.6 | 176.7 | 179.7 | 0 | 111.9 | E114 K115 V121 S122 | E114-K118 PolarHBondContact O-N 3.37Å; K115-K118 PolarHBondContact O-N 2.97Å; K118-V121 PolarHBondContact O-N 2.86Å; K118-S122 PolarHBondContact O-N 3.29Å |
| 119 | W | 92.6 | Very high | 89.5 | Confident | 195 Ų | 195 | 113.5 Ų | 113.5 | 74% | 0.739 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62 | -47.2 | 177.4 | -164.4 | 65.9 | 0 | 0 | 0 | 111.2 | K115 I116 K117 V121 S122 T123 | K115-W119 WeakPolarHBondContact O-CB 3.44Å; K115-W119 PolarHBondContact O-N 3.47Å; I116-W119 PolarHBondContact O-N 2.92Å; K117-W119 VanDerWaalsContact C-N 3.34Å; W119-V121 PolarHBondContact O-N 2.83Å; W119-S122 PolarHBondContact O-N 2.99Å; W119-T123 WeakPolarHBondContact O-CB 3.19Å; W119-T123 PolarHBondContact O-N 3.16Å; W119-T123 PolarHBondContact O-OG1 3.26Å |
| 120 | K | 92.6 | Very high | 89.9 | Confident | 133 Ų | 133 | 115.1 Ų | 115.1 | 58% | 0.578 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -54.2 | -48.9 | 174.9 | -178 | -176.8 | 173.6 | -177 | 0 | 112.4 | I116 K117 T123 E124 | I116-K120 WeakPolarHBondContact O-CB 3.33Å; I116-K120 PolarHBondContact O-N 3.44Å; K117-K120 PolarHBondContact O-N 3.44Å; K120-T123 PolarHBondContact O-N 3Å; K120-E124 WeakPolarHBondContact O-CB 3.49Å; K120-E124 PolarHBondContact O-N 3.5Å |
| 121 | V | 92.1 | Very high | 90.3 | Very high | 90 Ų | 90 | 111.4 Ų | 111.4 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | -179.9 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | K117 K118 W119 E124 A125 | K117-V121 WeakPolarHBondContact O-CG2 3.47Å; K117-V121 PolarHBondContact O-N 3Å; K118-V121 PolarHBondContact O-N 2.86Å; W119-V121 PolarHBondContact O-N 2.83Å; V121-E124 PolarHBondContact O-N 2.68Å; V121-A125 WeakPolarHBondContact O-CB 3.45Å; V121-A125 PolarHBondContact O-N 3.47Å |
| 122 | S | 92.4 | Very high | 90.7 | Very high | 63 Ų | 63 | 107.8 Ų | 107.8 | 44% | 0.441 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 176.5 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | K118 W119 E124 A125 E126 | K118-S122 PolarHBondContact O-N 3.29Å; W119-S122 PolarHBondContact O-N 2.99Å; S122-E124 VanDerWaalsContact C-N 3.3Å; S122-E124 PolarHBondContact O-N 3.03Å; S122-A125 PolarHBondContact O-N 3.13Å; S122-E126 PolarHBondContact O-N 3.37Å; S122-E126 VanDerWaalsContact O-N 3.12Å |
| 123 | T | 90.2 | Very high | 91.1 | Very high | 54 Ų | 54 | 109.2 Ų | 109.2 | 33% | 0.331 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 177.4 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | W119 K120 L127 | W119-T123 WeakPolarHBondContact O-CB 3.19Å; W119-T123 PolarHBondContact O-N 3.16Å; W119-T123 PolarHBondContact O-OG1 3.26Å; K120-T123 PolarHBondContact O-N 3Å; T123-L127 WeakPolarHBondContact O-CB 3.41Å; T123-L127 PolarHBondContact O-N 3.27Å |
| 124 | E | 92.6 | Very high | 91.7 | Very high | 104 Ų | 104 | 111 Ų | 111 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.2 | -36.1 | 178.7 | -169.5 | 161.1 | -171.2 | 0 | 0 | 112.4 | K120 V121 S122 L127 R128 | K120-E124 WeakPolarHBondContact O-CB 3.49Å; K120-E124 PolarHBondContact O-N 3.5Å; V121-E124 PolarHBondContact O-N 2.68Å; S122-E124 VanDerWaalsContact C-N 3.3Å; S122-E124 PolarHBondContact O-N 3.03Å; E124-L127 PolarHBondContact O-N 2.77Å; E124-R128 PolarHBondContact O-N 2.87Å |
| 125 | A | 90.8 | Very high | 92 | Very high | 61 Ų | 61 | 112.8 Ų | 112.8 | 50% | 0.504 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -44 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V121 S122 R128 Q129 | V121-A125 WeakPolarHBondContact O-CB 3.45Å; V121-A125 PolarHBondContact O-N 3.47Å; S122-A125 PolarHBondContact O-N 3.13Å; A125-R128 PolarHBondContact O-N 3.25Å; A125-Q129 PolarHBondContact O-N 3.42Å |
| 126 | E | 92.4 | Very high | 92.1 | Very high | 108 Ų | 108 | 112.6 Ų | 112.6 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 174.2 | -74.4 | 178.4 | -163 | 0 | 0 | 112.1 | S122 Q129 K130 | S122-E126 PolarHBondContact O-N 3.37Å; S122-E126 VanDerWaalsContact O-N 3.12Å; E126-Q129 PolarHBondContact O-N 2.82Å; E126-K130 WeakPolarHBondContact O-CG 3.19Å; E126-K130 PolarHBondContact O-N 2.76Å |
| 127 | L | 92.7 | Very high | 92.4 | Very high | 112 Ų | 112 | 111.6 Ų | 111.6 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.2 | -45.9 | 174.4 | -104 | 164.7 | 0 | 0 | 0 | 111.7 | T123 E124 Q129 K130 E131 | T123-L127 WeakPolarHBondContact O-CB 3.41Å; T123-L127 PolarHBondContact O-N 3.27Å; E124-L127 PolarHBondContact O-N 2.77Å; L127-Q129 VanDerWaalsContact C-N 3.34Å; L127-Q129 PolarHBondContact O-N 3.26Å; L127-K130 PolarHBondContact O-N 3.01Å; L127-E131 WeakPolarHBondContact O-CB 3.5Å; L127-E131 PolarHBondContact O-N 3.42Å |
| 128 | R | 91.7 | Very high | 92.7 | Very high | 200 Ų | 200 | 112 Ų | 112 | 76% | 0.755 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 175.4 | -84.7 | -132.4 | -179.3 | -127.5 | 3 | 112.6 | E124 A125 E131 S132 | E124-R128 PolarHBondContact O-N 2.87Å; A125-R128 PolarHBondContact O-N 3.25Å; R128-E131 PolarHBondContact O-N 2.92Å; R128-S132 PolarHBondContact O-N 2.94Å |
| 129 | Q | 92.1 | Very high | 93 | Very high | 116 Ų | 116 | 111 Ų | 111 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 177.5 | -168.2 | -174.1 | 26.5 | 0 | 0 | 111.7 | A125 E126 L127 S132 K133 | A125-Q129 PolarHBondContact O-N 3.42Å; E126-Q129 PolarHBondContact O-N 2.82Å; L127-Q129 VanDerWaalsContact C-N 3.34Å; L127-Q129 PolarHBondContact O-N 3.26Å; Q129-S132 PolarHBondContact O-N 3.25Å; Q129-K133 PolarHBondContact O-N 3.46Å; Q129-K133 VanDerWaalsContact O-N 3.13Å |
| 130 | K | 92.7 | Very high | 93.2 | Very high | 145 Ų | 145 | 105.7 Ų | 105.7 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 175.3 | -75.7 | -170.2 | 179.1 | 176.8 | 0 | 112.1 | E126 L127 K133 L134 | E126-K130 WeakPolarHBondContact O-CG 3.19Å; E126-K130 PolarHBondContact O-N 2.76Å; L127-K130 PolarHBondContact O-N 3.01Å; K130-K133 PolarHBondContact O-N 3.32Å; K130-L134 WeakPolarHBondContact O-CB 3.33Å; K130-L134 PolarHBondContact O-N 3.35Å |
| 131 | E | 94 | Very high | 93.3 | Very high | 87 Ų | 87 | 103.2 Ų | 103.2 | 41% | 0.407 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 176.2 | -172.1 | 58.3 | -145.5 | 0 | 0 | 111.7 | L127 R128 K133 L134 Q135 R138 | L127-E131 WeakPolarHBondContact O-CB 3.5Å; L127-E131 PolarHBondContact O-N 3.42Å; R128-E131 PolarHBondContact O-N 2.92Å; E131-K133 PolarHBondContact O-N 3.1Å; E131-L134 WeakPolarHBondContact O-CB 3.45Å; E131-L134 PolarHBondContact O-N 2.85Å; E131-Q135 WeakPolarHBondContact O-CB 3.2Å; E131-Q135 PolarHBondContact O-N 2.7Å; E131-R138 IonicContact OE1-CZ 3.82Å; E131-R138 IonicContact OE1-NH2 2.71Å; E131-R138 PolarHBondContact OE1-NH2 3.36Å |
| 132 | S | 92.5 | Very high | 93.4 | Very high | 73 Ų | 73 | 105.5 Ų | 105.5 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 175.2 | -171 | 0 | 0 | 0 | 0 | 112 | R128 Q129 Q135 E136 | R128-S132 PolarHBondContact O-N 2.94Å; Q129-S132 PolarHBondContact O-N 3.25Å; S132-Q135 PolarHBondContact O-N 2.71Å; S132-E136 PolarHBondContact O-N 2.94Å |
| 133 | K | 94 | Very high | 93.5 | Very high | 121 Ų | 121 | 105.5 Ų | 105.5 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 176.1 | -71.9 | 179.5 | 178.8 | 178.8 | 0 | 112 | Q129 K130 E131 Q135 E136 N137 | Q129-K133 PolarHBondContact O-N 3.46Å; Q129-K133 VanDerWaalsContact O-N 3.13Å; K130-K133 PolarHBondContact O-N 3.32Å; E131-K133 PolarHBondContact O-N 3.1Å; K133-Q135 VanDerWaalsContact C-N 3.31Å; K133-Q135 PolarHBondContact O-N 3.43Å; K133-E136 PolarHBondContact O-N 2.97Å; K133-N137 WeakPolarHBondContact O-CB 3.47Å; K133-N137 VanDerWaalsContact O-CG 3.31Å; K133-N137 PolarHBondContact O-N 3.11Å |
| 134 | L | 94.4 | Very high | 93.8 | Very high | 90 Ų | 90 | 108.4 Ų | 108.4 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 174.7 | -97.7 | 167.1 | 0 | 0 | 0 | 112.1 | K130 E131 R138 | K130-L134 WeakPolarHBondContact O-CB 3.33Å; K130-L134 PolarHBondContact O-N 3.35Å; E131-L134 WeakPolarHBondContact O-CB 3.45Å; E131-L134 PolarHBondContact O-N 2.85Å; L134-R138 WeakPolarHBondContact O-CG 2.95Å; L134-R138 PolarHBondContact O-N 3.47Å |
| 135 | Q | 94.8 | Very high | 93.9 | Very high | 106 Ų | 106 | 112 Ų | 112 | 50% | 0.495 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.1 | -35.7 | 179.1 | -162.9 | 154.2 | -4.6 | 0 | 0 | 112.5 | E131 S132 K133 R138 K139 | E131-Q135 WeakPolarHBondContact O-CB 3.2Å; E131-Q135 PolarHBondContact O-N 2.7Å; S132-Q135 PolarHBondContact O-N 2.71Å; K133-Q135 VanDerWaalsContact C-N 3.31Å; K133-Q135 PolarHBondContact O-N 3.43Å; Q135-R138 PolarHBondContact O-N 2.73Å; Q135-K139 WeakPolarHBondContact O-CG 3.45Å; Q135-K139 PolarHBondContact O-N 3.22Å; Q135-K139 VanDerWaalsContact O-N 3.11Å |
| 136 | E | 92.8 | Very high | 94.1 | Very high | 119 Ų | 119 | 115.3 Ų | 115.3 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.1 | -44 | 172.8 | -168.8 | 156.5 | -152.9 | 0 | 0 | 112.2 | S132 K133 R138 K139 I140 | S132-E136 PolarHBondContact O-N 2.94Å; K133-E136 PolarHBondContact O-N 2.97Å; E136-R138 VanDerWaalsContact C-N 3.29Å; E136-R138 PolarHBondContact O-N 2.94Å; E136-K139 WeakPolarHBondContact O-CB 3.44Å; E136-K139 PolarHBondContact O-N 3.46Å; E136-K139 VanDerWaalsContact O-N 3.1Å; E136-I140 HydrophobicContact CG-CD1 4.32Å; E136-I140 WeakPolarHBondContact O-CG1 3.38Å; E136-I140 PolarHBondContact O-N 3.26Å |
| 137 | N | 94.8 | Very high | 94.3 | Very high | 91 Ų | 91 | 112.5 Ų | 112.5 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 172.3 | -74.3 | -11.9 | 0 | 0 | 0 | 112 | K133 I140 I141 | K133-N137 WeakPolarHBondContact O-CB 3.47Å; K133-N137 VanDerWaalsContact O-CG 3.31Å; K133-N137 PolarHBondContact O-N 3.11Å; N137-I140 PolarHBondContact O-N 2.92Å; N137-I141 WeakPolarHBondContact O-CB 3.43Å; N137-I141 VanDerWaalsContact O-CG1 3.25Å; N137-I141 WeakPolarHBondContact O-CG1 3.47Å; N137-I141 PolarHBondContact O-N 3.39Å |
| 138 | R | 96.1 | Very high | 94.4 | Very high | 126 Ų | 126 | 111.8 Ų | 111.8 | 48% | 0.475 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 173.4 | -85.1 | -177.1 | -76.9 | -136.6 | 1 | 111.7 | E131 L134 Q135 E136 I140 I141 E142 | E131-R138 IonicContact OE1-CZ 3.82Å; E131-R138 IonicContact OE1-NH2 2.71Å; E131-R138 PolarHBondContact OE1-NH2 3.36Å; L134-R138 WeakPolarHBondContact O-CG 2.95Å; L134-R138 PolarHBondContact O-N 3.47Å; Q135-R138 PolarHBondContact O-N 2.73Å; E136-R138 VanDerWaalsContact C-N 3.29Å; E136-R138 PolarHBondContact O-N 2.94Å; R138-I140 PolarHBondContact O-N 2.79Å; R138-I141 PolarHBondContact O-N 2.93Å; R138-E142 WeakPolarHBondContact O-CB 3.38Å; R138-E142 PolarHBondContact O-N 3.22Å |
| 139 | K | 95.6 | Very high | 94.6 | Very high | 138 Ų | 138 | 107.2 Ų | 107.2 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.1 | -41.6 | 176.4 | -69.7 | 177.1 | -176.9 | 179.7 | 0 | 112.5 | Q135 E136 E142 A143 | Q135-K139 WeakPolarHBondContact O-CG 3.45Å; Q135-K139 PolarHBondContact O-N 3.22Å; Q135-K139 VanDerWaalsContact O-N 3.11Å; E136-K139 WeakPolarHBondContact O-CB 3.44Å; E136-K139 PolarHBondContact O-N 3.46Å; E136-K139 VanDerWaalsContact O-N 3.1Å; K139-E142 PolarHBondContact O-N 2.91Å; K139-A143 WeakPolarHBondContact O-CB 3.46Å; K139-A143 PolarHBondContact O-N 2.79Å |
| 140 | I | 95.2 | Very high | 94.7 | Very high | 82 Ų | 82 | 107.5 Ų | 107.5 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 178.3 | -67 | 166.8 | 0 | 0 | 0 | 110.9 | E136 N137 R138 E142 A143 Q144 | E136-I140 HydrophobicContact CG-CD1 4.32Å; E136-I140 WeakPolarHBondContact O-CG1 3.38Å; E136-I140 PolarHBondContact O-N 3.26Å; N137-I140 PolarHBondContact O-N 2.92Å; R138-I140 PolarHBondContact O-N 2.79Å; I140-E142 VanDerWaalsContact C-N 3.28Å; I140-E142 PolarHBondContact O-N 3.46Å; I140-A143 PolarHBondContact O-N 3.39Å; I140-Q144 HydrophobicContact CG2-CG 4.49Å; I140-Q144 WeakPolarHBondContact O-CB 3.34Å; I140-Q144 WeakPolarHBondContact O-CG 3.45Å; I140-Q144 PolarHBondContact O-N 2.79Å |
| 141 | I | 94.6 | Very high | 94.8 | Very high | 82 Ų | 82 | 106.1 Ų | 106.1 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 177.3 | -69.3 | 165.6 | 0 | 0 | 0 | 110.4 | N137 R138 Q144 R145 | N137-I141 WeakPolarHBondContact O-CB 3.43Å; N137-I141 VanDerWaalsContact O-CG1 3.25Å; N137-I141 WeakPolarHBondContact O-CG1 3.47Å; N137-I141 PolarHBondContact O-N 3.39Å; R138-I141 PolarHBondContact O-N 2.93Å; I141-Q144 PolarHBondContact O-N 2.92Å; I141-R145 HydrophobicContact CG2-CG 4.49Å; I141-R145 WeakPolarHBondContact O-CB 3.37Å; I141-R145 VanDerWaalsContact O-CG 3.29Å; I141-R145 WeakPolarHBondContact O-CG 3.45Å; I141-R145 PolarHBondContact O-N 3.32Å |
| 142 | E | 94.4 | Very high | 94.9 | Very high | 138 Ų | 138 | 107.8 Ų | 107.8 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.5 | -41.2 | 179.6 | -159.1 | 164.7 | -143.8 | 0 | 0 | 112 | R138 K139 I140 R145 K146 | R138-E142 WeakPolarHBondContact O-CB 3.38Å; R138-E142 PolarHBondContact O-N 3.22Å; K139-E142 PolarHBondContact O-N 2.91Å; I140-E142 VanDerWaalsContact C-N 3.28Å; I140-E142 PolarHBondContact O-N 3.46Å; E142-R145 PolarHBondContact O-N 2.8Å; E142-K146 PolarHBondContact O-N 3.39Å |
| 143 | A | 95.4 | Very high | 95.1 | Very high | 63 Ų | 63 | 110.1 Ų | 110.1 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K139 I140 K146 A147 | K139-A143 WeakPolarHBondContact O-CB 3.46Å; K139-A143 PolarHBondContact O-N 2.79Å; I140-A143 PolarHBondContact O-N 3.39Å; A143-K146 PolarHBondContact O-N 2.96Å; A143-A147 PolarHBondContact O-N 3.08Å |
| 144 | Q | 95.9 | Very high | 95.2 | Very high | 115 Ų | 115 | 106 Ų | 106 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 175.4 | -75.5 | 178.5 | -18.8 | 0 | 0 | 111.9 | I140 I141 K146 A147 I148 | I140-Q144 HydrophobicContact CG2-CG 4.49Å; I140-Q144 WeakPolarHBondContact O-CB 3.34Å; I140-Q144 WeakPolarHBondContact O-CG 3.45Å; I140-Q144 PolarHBondContact O-N 2.79Å; I141-Q144 PolarHBondContact O-N 2.92Å; Q144-K146 VanDerWaalsContact C-N 3.32Å; Q144-K146 PolarHBondContact O-N 3.4Å; Q144-A147 PolarHBondContact O-N 2.9Å; Q144-I148 VanDerWaalsContact O-CG1 3.28Å; Q144-I148 WeakPolarHBondContact O-CG1 3.11Å; Q144-I148 PolarHBondContact O-N 2.94Å |
| 145 | R | 95.7 | Very high | 95.2 | Very high | 180 Ų | 180 | 106.9 Ų | 106.9 | 68% | 0.679 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.9 | -44.1 | 175.1 | -77.5 | 175.5 | 178.4 | -166.7 | -1 | 111.5 | I141 E142 I148 Q149 | I141-R145 HydrophobicContact CG2-CG 4.49Å; I141-R145 WeakPolarHBondContact O-CB 3.37Å; I141-R145 VanDerWaalsContact O-CG 3.29Å; I141-R145 WeakPolarHBondContact O-CG 3.45Å; I141-R145 PolarHBondContact O-N 3.32Å; E142-R145 PolarHBondContact O-N 2.8Å; R145-I148 PolarHBondContact O-N 3.49Å; R145-Q149 WeakPolarHBondContact O-CB 3.46Å; R145-Q149 PolarHBondContact O-N 3.11Å |
| 146 | K | 95.2 | Very high | 95.2 | Very high | 130 Ų | 130 | 107.3 Ų | 107.3 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 177.6 | -167 | 178 | 178.6 | -174.6 | 0 | 112.2 | E142 A143 Q144 I148 Q149 E150 | E142-K146 PolarHBondContact O-N 3.39Å; A143-K146 PolarHBondContact O-N 2.96Å; Q144-K146 VanDerWaalsContact C-N 3.32Å; Q144-K146 PolarHBondContact O-N 3.4Å; K146-I148 PolarHBondContact O-N 3.38Å; K146-Q149 PolarHBondContact O-N 2.89Å; K146-E150 WeakPolarHBondContact CE-OE1 3.4Å; K146-E150 PolarHBondContact O-N 3.4Å |
| 147 | A | 95.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 108.1 Ų | 108.1 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | A143 Q144 E150 L151 | A143-A147 PolarHBondContact O-N 3.08Å; Q144-A147 PolarHBondContact O-N 2.9Å; A147-E150 PolarHBondContact O-N 3.4Å; A147-L151 WeakPolarHBondContact O-CG 3.44Å; A147-L151 PolarHBondContact O-N 3.44Å |
| 148 | I | 95.6 | Very high | 95.4 | Very high | 97 Ų | 97 | 107.7 Ų | 107.7 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.7 | -69.5 | 165.4 | 0 | 0 | 0 | 110.7 | Q144 R145 K146 L151 Q152 | Q144-I148 VanDerWaalsContact O-CG1 3.28Å; Q144-I148 WeakPolarHBondContact O-CG1 3.11Å; Q144-I148 PolarHBondContact O-N 2.94Å; R145-I148 PolarHBondContact O-N 3.49Å; K146-I148 PolarHBondContact O-N 3.38Å; I148-L151 PolarHBondContact O-N 3.16Å; I148-Q152 HydrophobicContact CG2-CG 4.44Å; I148-Q152 WeakPolarHBondContact O-CG 3.26Å; I148-Q152 PolarHBondContact O-N 2.85Å |
| 149 | Q | 95.4 | Very high | 95.4 | Very high | 105 Ų | 105 | 105.2 Ų | 105.2 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 179.2 | -167.6 | 178.8 | 9.1 | 0 | 0 | 112.2 | R145 K146 L151 Q152 F153 | R145-Q149 WeakPolarHBondContact O-CB 3.46Å; R145-Q149 PolarHBondContact O-N 3.11Å; K146-Q149 PolarHBondContact O-N 2.89Å; Q149-L151 VanDerWaalsContact C-N 3.35Å; Q149-Q152 PolarHBondContact O-N 3.47Å; Q149-F153 HydrophobicContact CG-CD2 3.94Å; Q149-F153 HydrophobicContact CG-CE2 3.64Å; Q149-F153 WeakPolarHBondContact O-CD2 3.46Å; Q149-F153 PolarHBondContact O-N 2.81Å |
| 150 | E | 95 | Very high | 95.4 | Very high | 121 Ų | 121 | 104.1 Ų | 104.1 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -40.1 | 173.9 | -77.3 | 174.3 | -169.3 | 0 | 0 | 111.9 | K146 A147 G154 | K146-E150 WeakPolarHBondContact CE-OE1 3.4Å; K146-E150 PolarHBondContact O-N 3.4Å; A147-E150 PolarHBondContact O-N 3.4Å; E150-G154 PolarHBondContact O-N 2.76Å |
| 151 | L | 94.9 | Very high | 95.4 | Very high | 116 Ų | 116 | 106.6 Ų | 106.6 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -38.9 | 172.8 | -77.7 | 170.3 | 0 | 0 | 0 | 112.5 | A147 I148 Q149 G154 N155 | A147-L151 WeakPolarHBondContact O-CG 3.44Å; A147-L151 PolarHBondContact O-N 3.44Å; I148-L151 PolarHBondContact O-N 3.16Å; Q149-L151 VanDerWaalsContact C-N 3.35Å; L151-G154 PolarHBondContact O-N 2.97Å; L151-N155 WeakPolarHBondContact O-CB 3.49Å; L151-N155 PolarHBondContact O-N 3.32Å |
| 152 | Q | 96 | Very high | 95.5 | Very high | 122 Ų | 122 | 107.7 Ų | 107.7 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.2 | -48 | 175.9 | -78 | 178.4 | -25.1 | 0 | 0 | 111.6 | I148 Q149 G154 N155 E156 | I148-Q152 HydrophobicContact CG2-CG 4.44Å; I148-Q152 WeakPolarHBondContact O-CG 3.26Å; I148-Q152 PolarHBondContact O-N 2.85Å; Q149-Q152 PolarHBondContact O-N 3.47Å; Q152-G154 VanDerWaalsContact C-N 3.3Å; Q152-G154 PolarHBondContact O-N 2.94Å; Q152-N155 PolarHBondContact O-N 3.01Å; Q152-E156 WeakPolarHBondContact O-CB 3.49Å; Q152-E156 PolarHBondContact O-N 3.38Å |
| 153 | F | 95.3 | Very high | 95.5 | Very high | 123 Ų | 123 | 106.1 Ų | 106.1 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 174.5 | -78.3 | -59.8 | 0 | 0 | 0 | 112.3 | Q149 K157 | Q149-F153 HydrophobicContact CG-CD2 3.94Å; Q149-F153 HydrophobicContact CG-CE2 3.64Å; Q149-F153 WeakPolarHBondContact O-CD2 3.46Å; Q149-F153 PolarHBondContact O-N 2.81Å; F153-K157 VanDerWaalsContact O-CB 3.29Å; F153-K157 WeakPolarHBondContact O-CB 3.25Å; F153-K157 PolarHBondContact O-N 3.32Å |
| 154 | G | 95.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 108.9 Ų | 108.9 | 35% | 0.351 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | E150 L151 Q152 K157 V158 | E150-G154 PolarHBondContact O-N 2.76Å; L151-G154 PolarHBondContact O-N 2.97Å; Q152-G154 VanDerWaalsContact C-N 3.3Å; Q152-G154 PolarHBondContact O-N 2.94Å; G154-K157 PolarHBondContact O-N 3.23Å; G154-V158 WeakPolarHBondContact O-CG2 3.47Å; G154-V158 PolarHBondContact O-N 3.47Å |
| 155 | N | 94.4 | Very high | 95.6 | Very high | 109 Ų | 109 | 105 Ų | 105 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 178.3 | -76.5 | -9.8 | 0 | 0 | 0 | 112.3 | L151 Q152 K157 V158 S159 | L151-N155 WeakPolarHBondContact O-CB 3.49Å; L151-N155 PolarHBondContact O-N 3.32Å; Q152-N155 PolarHBondContact O-N 3.01Å; N155-K157 PolarHBondContact O-N 3.38Å; N155-V158 PolarHBondContact O-N 3.02Å; N155-S159 WeakPolarHBondContact O-CB 3.32Å; N155-S159 PolarHBondContact O-N 3.4Å; N155-S159 PolarHBondContact O-OG 3.44Å |
| 156 | E | 95.7 | Very high | 95.6 | Very high | 115 Ų | 115 | 100.2 Ų | 100.2 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 176.8 | -174.3 | 174.5 | -164.7 | 0 | 0 | 111.3 | Q152 V158 S159 L160 | Q152-E156 WeakPolarHBondContact O-CB 3.49Å; Q152-E156 PolarHBondContact O-N 3.38Å; E156-V158 VanDerWaalsContact C-N 3.34Å; E156-V158 PolarHBondContact O-N 2.89Å; E156-S159 PolarHBondContact O-N 2.91Å; E156-L160 HydrophobicContact CG-CD1 4.4Å; E156-L160 WeakPolarHBondContact O-CG 3.45Å; E156-L160 PolarHBondContact O-N 2.89Å |
| 157 | K | 95.8 | Very high | 95.6 | Very high | 136 Ų | 136 | 97.9 Ų | 97.9 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -39.2 | 175.2 | -175.5 | 176.6 | -177.2 | 176.7 | 0 | 112.4 | F153 G154 N155 K161 | F153-K157 VanDerWaalsContact O-CB 3.29Å; F153-K157 WeakPolarHBondContact O-CB 3.25Å; F153-K157 PolarHBondContact O-N 3.32Å; G154-K157 PolarHBondContact O-N 3.23Å; N155-K157 PolarHBondContact O-N 3.38Å; K157-K161 WeakPolarHBondContact O-CG 3.27Å; K157-K161 PolarHBondContact O-N 2.94Å |
| 158 | V | 96.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 101.1 Ų | 101.1 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 175.8 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | G154 N155 E156 L160 K161 L162 | G154-V158 WeakPolarHBondContact O-CG2 3.47Å; G154-V158 PolarHBondContact O-N 3.47Å; N155-V158 PolarHBondContact O-N 3.02Å; E156-V158 VanDerWaalsContact C-N 3.34Å; E156-V158 PolarHBondContact O-N 2.89Å; V158-L160 PolarHBondContact O-N 3.41Å; V158-K161 PolarHBondContact O-N 2.9Å; V158-L162 HydrophobicContact CG1-CD1 3.94Å; V158-L162 HydrophobicContact CG1-CG 4.38Å; V158-L162 WeakPolarHBondContact O-CG 3.44Å; V158-L162 PolarHBondContact O-N 3.09Å |
| 159 | S | 95.2 | Very high | 95.5 | Very high | 75 Ų | 75 | 101 Ų | 101 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 176.1 | -83.3 | 0 | 0 | 0 | 0 | 112.7 | N155 E156 L162 E163 | N155-S159 WeakPolarHBondContact O-CB 3.32Å; N155-S159 PolarHBondContact O-N 3.4Å; N155-S159 PolarHBondContact O-OG 3.44Å; E156-S159 PolarHBondContact O-N 2.91Å; S159-L162 PolarHBondContact O-N 3.05Å; S159-E163 PolarHBondContact O-N 3.48Å |
| 160 | L | 95.4 | Very high | 95.6 | Very high | 114 Ų | 114 | 100.5 Ų | 100.5 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -42.9 | 176.4 | -75.5 | 171.9 | 0 | 0 | 0 | 112 | E156 V158 L162 E163 E164 | E156-L160 HydrophobicContact CG-CD1 4.4Å; E156-L160 WeakPolarHBondContact O-CG 3.45Å; E156-L160 PolarHBondContact O-N 2.89Å; V158-L160 PolarHBondContact O-N 3.41Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 3.36Å; L160-E163 PolarHBondContact O-N 2.85Å; L160-E164 WeakPolarHBondContact O-CB 3.35Å; L160-E164 PolarHBondContact O-N 3.32Å |
| 161 | K | 96.1 | Very high | 95.6 | Very high | 134 Ų | 134 | 98 Ų | 98 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -37.1 | 174.7 | -77 | -174.4 | 173.9 | -166.4 | 0 | 112.9 | K157 V158 G165 | K157-K161 WeakPolarHBondContact O-CG 3.27Å; K157-K161 PolarHBondContact O-N 2.94Å; V158-K161 PolarHBondContact O-N 2.9Å; K161-G165 PolarHBondContact O-N 2.86Å |
| 162 | L | 95.7 | Very high | 95.6 | Very high | 106 Ų | 106 | 97.4 Ų | 97.4 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.5 | -43 | 175.8 | -74.2 | 170.9 | 0 | 0 | 0 | 111 | V158 S159 L160 G165 I166 | V158-L162 HydrophobicContact CG1-CD1 3.94Å; V158-L162 HydrophobicContact CG1-CG 4.38Å; V158-L162 WeakPolarHBondContact O-CG 3.44Å; V158-L162 PolarHBondContact O-N 3.09Å; S159-L162 PolarHBondContact O-N 3.05Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 3.36Å; L162-G165 PolarHBondContact O-N 2.9Å; L162-I166 WeakPolarHBondContact O-CB 3.42Å; L162-I166 WeakPolarHBondContact O-CD1 3.38Å; L162-I166 WeakPolarHBondContact O-CG1 3.27Å; L162-I166 PolarHBondContact O-N 3.4Å |
| 163 | E | 95.8 | Very high | 95.6 | Very high | 105 Ų | 105 | 95.8 Ų | 95.8 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 177.5 | -169.1 | 60.7 | -143 | 0 | 0 | 112 | S159 L160 I166 Q167 | S159-E163 PolarHBondContact O-N 3.48Å; L160-E163 PolarHBondContact O-N 2.85Å; E163-I166 PolarHBondContact O-N 2.77Å; E163-Q167 WeakPolarHBondContact O-CB 3.14Å; E163-Q167 PolarHBondContact O-N 2.95Å |
| 164 | E | 95.5 | Very high | 95.6 | Very high | 121 Ų | 121 | 95.8 Ų | 95.8 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.7 | -48.5 | 173.2 | -174.6 | 174.1 | -150.8 | 0 | 0 | 110.9 | L160 I166 Q167 E168 | L160-E164 WeakPolarHBondContact O-CB 3.35Å; L160-E164 PolarHBondContact O-N 3.32Å; E164-I166 VanDerWaalsContact C-N 3.33Å; E164-I166 PolarHBondContact O-N 3.37Å; E164-Q167 PolarHBondContact O-N 3.24Å; E164-Q167 VanDerWaalsContact O-N 3.15Å; E164-E168 WeakPolarHBondContact O-CG 3.38Å; E164-E168 PolarHBondContact O-N 2.97Å |
| 165 | G | 96.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 99.9 Ų | 99.9 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K161 L162 N169 | K161-G165 PolarHBondContact O-N 2.86Å; L162-G165 PolarHBondContact O-N 2.9Å; G165-N169 WeakPolarHBondContact O-CB 3.36Å; G165-N169 PolarHBondContact O-N 2.78Å |
| 166 | I | 95.9 | Very high | 95.7 | Very high | 79 Ų | 79 | 99.1 Ų | 99.1 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | 173.4 | -73 | 164.4 | 0 | 0 | 0 | 110.6 | L162 E163 E164 N169 K170 | L162-I166 WeakPolarHBondContact O-CB 3.42Å; L162-I166 WeakPolarHBondContact O-CD1 3.38Å; L162-I166 WeakPolarHBondContact O-CG1 3.27Å; L162-I166 PolarHBondContact O-N 3.4Å; E163-I166 PolarHBondContact O-N 2.77Å; E164-I166 VanDerWaalsContact C-N 3.33Å; E164-I166 PolarHBondContact O-N 3.37Å; I166-N169 PolarHBondContact O-N 3.45Å; I166-K170 HydrophobicContact CG2-CD 4.28Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 3.48Å |
| 167 | Q | 95.1 | Very high | 95.7 | Very high | 81 Ų | 81 | 96.7 Ų | 96.7 | 38% | 0.379 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.4 | -45.2 | 179.7 | -175.1 | 54 | 43.2 | 0 | 0 | 111.7 | E163 E164 N169 K170 D171 | E163-Q167 WeakPolarHBondContact O-CB 3.14Å; E163-Q167 PolarHBondContact O-N 2.95Å; E164-Q167 PolarHBondContact O-N 3.24Å; E164-Q167 VanDerWaalsContact O-N 3.15Å; Q167-N169 VanDerWaalsContact C-N 3.29Å; Q167-N169 PolarHBondContact O-N 3.43Å; Q167-K170 WeakPolarHBondContact O-CB 3.39Å; Q167-K170 PolarHBondContact O-N 2.86Å; Q167-D171 PolarHBondContact NE2-OD1 3.32Å; Q167-D171 PolarHBondContact NE2-OD2 3.36Å; Q167-D171 PolarHBondContact O-N 2.91Å |
| 168 | E | 95.1 | Very high | 95.8 | Very high | 117 Ų | 117 | 93 Ų | 93 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57 | -43.8 | 171.7 | -74 | -178.2 | 174.5 | 0 | 0 | 111.3 | E164 K170 D171 L172 | E164-E168 WeakPolarHBondContact O-CG 3.38Å; E164-E168 PolarHBondContact O-N 2.97Å; E168-K170 PolarHBondContact O-N 3.32Å; E168-D171 PolarHBondContact O-N 3.29Å; E168-L172 WeakPolarHBondContact O-CB 3.43Å; E168-L172 WeakPolarHBondContact O-CG 3.28Å; E168-L172 PolarHBondContact O-N 2.89Å |
| 169 | N | 95.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 92.5 Ų | 92.5 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 178.1 | -161.8 | 2.8 | 0 | 0 | 0 | 111.9 | G165 I166 Q167 D171 L172 I173 | G165-N169 WeakPolarHBondContact O-CB 3.36Å; G165-N169 PolarHBondContact O-N 2.78Å; I166-N169 PolarHBondContact O-N 3.45Å; Q167-N169 VanDerWaalsContact C-N 3.29Å; Q167-N169 PolarHBondContact O-N 3.43Å; N169-D171 VanDerWaalsContact C-N 3.3Å; N169-D171 PolarHBondContact O-N 2.79Å; N169-L172 PolarHBondContact O-N 3.27Å; N169-I173 WeakPolarHBondContact O-CB 3.46Å; N169-I173 WeakPolarHBondContact O-CD1 3.19Å; N169-I173 WeakPolarHBondContact O-CG1 3.29Å; N169-I173 PolarHBondContact O-N 3.34Å |
| 170 | K | 96 | Very high | 95.7 | Very high | 96 Ų | 96 | 94.1 Ų | 94.1 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.8 | -41 | 172.1 | -75.4 | 169.5 | -175.4 | 163.7 | 0 | 111.5 | I166 Q167 E168 I173 K174 | I166-K170 HydrophobicContact CG2-CD 4.28Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 3.48Å; Q167-K170 WeakPolarHBondContact O-CB 3.39Å; Q167-K170 PolarHBondContact O-N 2.86Å; E168-K170 PolarHBondContact O-N 3.32Å; K170-I173 PolarHBondContact O-N 3.43Å; K170-K174 WeakPolarHBondContact O-CG 3.39Å; K170-K174 PolarHBondContact O-N 3.23Å; K170-K174 VanDerWaalsContact O-N 3.14Å |
| 171 | D | 95.7 | Very high | 95.8 | Very high | 69 Ų | 69 | 94.9 Ų | 94.9 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.7 | -38.8 | -179.6 | -67.2 | -30.1 | 0 | 0 | 0 | 112.1 | Q167 E168 N169 I173 K174 E175 | Q167-D171 PolarHBondContact NE2-OD1 3.32Å; Q167-D171 PolarHBondContact NE2-OD2 3.36Å; Q167-D171 PolarHBondContact O-N 2.91Å; E168-D171 PolarHBondContact O-N 3.29Å; N169-D171 VanDerWaalsContact C-N 3.3Å; N169-D171 PolarHBondContact O-N 2.79Å; D171-I173 VanDerWaalsContact C-N 3.3Å; D171-I173 PolarHBondContact O-N 2.78Å; D171-K174 WeakPolarHBondContact O-CB 3.48Å; D171-K174 PolarHBondContact O-N 3.23Å; D171-K174 VanDerWaalsContact O-N 3.14Å; D171-K174 IonicContact OD1-NZ 3.18Å; D171-K174 PolarHBondContact OD1-NZ 2.9Å; D171-E175 PolarHBondContact O-N 2.88Å |
| 172 | L | 95.1 | Very high | 95.8 | Very high | 103 Ų | 103 | 93.3 Ų | 93.3 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 169.8 | -74.3 | 174.5 | 0 | 0 | 0 | 112.1 | E168 N169 E175 N176 | E168-L172 WeakPolarHBondContact O-CB 3.43Å; E168-L172 WeakPolarHBondContact O-CG 3.28Å; E168-L172 PolarHBondContact O-N 2.89Å; N169-L172 PolarHBondContact O-N 3.27Å; L172-E175 PolarHBondContact O-N 3.26Å; L172-N176 WeakPolarHBondContact O-CB 3.49Å; L172-N176 PolarHBondContact O-N 3.49Å |
| 173 | I | 96.3 | Very high | 95.7 | Very high | 87 Ų | 87 | 91.5 Ų | 91.5 | 45% | 0.446 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 174.7 | -71.9 | 163.9 | 0 | 0 | 0 | 110.7 | N169 K170 D171 N176 N177 | N169-I173 WeakPolarHBondContact O-CB 3.46Å; N169-I173 WeakPolarHBondContact O-CD1 3.19Å; N169-I173 WeakPolarHBondContact O-CG1 3.29Å; N169-I173 PolarHBondContact O-N 3.34Å; K170-I173 PolarHBondContact O-N 3.43Å; D171-I173 VanDerWaalsContact C-N 3.3Å; D171-I173 PolarHBondContact O-N 2.78Å; I173-N176 PolarHBondContact O-N 3.46Å; I173-N177 WeakPolarHBondContact O-CB 3.46Å; I173-N177 PolarHBondContact O-N 3.24Å; I173-N177 PolarHBondContact O-ND2 2.97Å |
| 174 | K | 95.4 | Very high | 95.7 | Very high | 123 Ų | 123 | 90.1 Ų | 90.1 | 54% | 0.535 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 175.6 | -68.5 | 171 | -163.6 | 157.1 | 0 | 111.3 | K170 D171 N177 A178 | K170-K174 WeakPolarHBondContact O-CG 3.39Å; K170-K174 PolarHBondContact O-N 3.23Å; K170-K174 VanDerWaalsContact O-N 3.14Å; D171-K174 WeakPolarHBondContact O-CB 3.48Å; D171-K174 PolarHBondContact O-N 3.23Å; D171-K174 VanDerWaalsContact O-N 3.14Å; D171-K174 IonicContact OD1-NZ 3.18Å; D171-K174 PolarHBondContact OD1-NZ 2.9Å; K174-N177 PolarHBondContact O-N 3.37Å; K174-A178 WeakPolarHBondContact O-CB 3.5Å; K174-A178 PolarHBondContact O-N 2.87Å |
| 175 | E | 95.6 | Very high | 95.8 | Very high | 121 Ų | 121 | 88.9 Ų | 88.9 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 176.7 | -172.5 | -176.9 | 168.4 | 0 | 0 | 111.5 | D171 L172 N177 A178 T179 | D171-E175 PolarHBondContact O-N 2.88Å; L172-E175 PolarHBondContact O-N 3.26Å; E175-N177 VanDerWaalsContact C-N 3.33Å; E175-N177 PolarHBondContact O-N 3.42Å; E175-A178 PolarHBondContact O-N 3.01Å; E175-T179 WeakPolarHBondContact O-CB 3.48Å; E175-T179 PolarHBondContact O-N 3.34Å; E175-T179 PolarHBondContact O-OG1 3.28Å |
| 176 | N | 95.8 | Very high | 95.8 | Very high | 93 Ų | 93 | 91.9 Ų | 91.9 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 176.2 | -164.4 | -62.6 | 0 | 0 | 0 | 111.2 | L172 I173 R180 | L172-N176 WeakPolarHBondContact O-CB 3.49Å; L172-N176 PolarHBondContact O-N 3.49Å; I173-N176 PolarHBondContact O-N 3.46Å; N176-R180 VanDerWaalsContact O-CB 3.3Å; N176-R180 WeakPolarHBondContact O-CB 3.3Å; N176-R180 PolarHBondContact O-N 3.25Å; N176-R180 PolarHBondContact OD1-NH2 3.36Å |
| 177 | N | 96.2 | Very high | 95.8 | Very high | 63 Ų | 63 | 95.7 Ų | 95.7 | 34% | 0.337 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 174.1 | -72 | -18.5 | 0 | 0 | 0 | 111.6 | I173 K174 E175 R180 H181 | I173-N177 WeakPolarHBondContact O-CB 3.46Å; I173-N177 PolarHBondContact O-N 3.24Å; I173-N177 PolarHBondContact O-ND2 2.97Å; K174-N177 PolarHBondContact O-N 3.37Å; E175-N177 VanDerWaalsContact C-N 3.33Å; E175-N177 PolarHBondContact O-N 3.42Å; N177-R180 PolarHBondContact O-N 2.83Å; N177-R180 PolarHBondContact OD1-NH1 3.4Å; N177-R180 PolarHBondContact OD1-NH2 2.78Å; N177-H181 PolarHBondContact O-CD2 2.94Å; N177-H181 PolarHBondContact O-N 3.39Å |
| 178 | A | 96.7 | Very high | 95.8 | Very high | 59 Ų | 59 | 97.2 Ų | 97.2 | 49% | 0.488 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K174 E175 R180 H181 L182 | K174-A178 WeakPolarHBondContact O-CB 3.5Å; K174-A178 PolarHBondContact O-N 2.87Å; E175-A178 PolarHBondContact O-N 3.01Å; A178-R180 VanDerWaalsContact C-N 3.34Å; A178-R180 PolarHBondContact O-N 3.36Å; A178-H181 PolarHBondContact O-N 2.78Å; A178-L182 PolarHBondContact O-N 3.16Å |
| 179 | T | 95.4 | Very high | 95.9 | Very high | 71 Ų | 71 | 94.6 Ų | 94.6 | 44% | 0.436 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.7 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | E175 H181 L182 C183 | E175-T179 WeakPolarHBondContact O-CB 3.48Å; E175-T179 PolarHBondContact O-N 3.34Å; E175-T179 PolarHBondContact O-OG1 3.28Å; T179-H181 PolarHBondContact O-N 2.91Å; T179-L182 PolarHBondContact O-N 2.85Å; T179-C183 WeakPolarHBondContact O-CB 3.31Å; T179-C183 PolarHBondContact O-N 3.37Å; T179-C183 PolarHBondContact O-SG 2.92Å |
| 180 | R | 95.3 | Very high | 95.9 | Very high | 109 Ų | 109 | 94 Ų | 94 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 175.8 | -163.7 | -179 | -44.5 | 103 | 5.5 | 112 | N176 N177 A178 C183 N184 | N176-R180 VanDerWaalsContact O-CB 3.3Å; N176-R180 WeakPolarHBondContact O-CB 3.3Å; N176-R180 PolarHBondContact O-N 3.25Å; N176-R180 PolarHBondContact OD1-NH2 3.36Å; N177-R180 PolarHBondContact O-N 2.83Å; N177-R180 PolarHBondContact OD1-NH1 3.4Å; N177-R180 PolarHBondContact OD1-NH2 2.78Å; A178-R180 VanDerWaalsContact C-N 3.34Å; A178-R180 PolarHBondContact O-N 3.36Å; R180-C183 PolarHBondContact O-N 2.85Å; R180-N184 WeakPolarHBondContact O-CB 3.43Å; R180-N184 PolarHBondContact O-N 3.32Å; R180-N184 PolarHBondContact O-ND2 2.81Å |
| 181 | H | 95.9 | Very high | 95.9 | Very high | 130 Ų | 130 | 92.1 Ų | 92.1 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 174.1 | -75.4 | -62.1 | 0 | 0 | 0 | 111.8 | N177 A178 T179 N184 L185 | N177-H181 PolarHBondContact O-CD2 2.94Å; N177-H181 PolarHBondContact O-N 3.39Å; A178-H181 PolarHBondContact O-N 2.78Å; T179-H181 PolarHBondContact O-N 2.91Å; H181-N184 PolarHBondContact O-N 3.5Å; H181-L185 PolarHBondContact O-N 2.83Å |
| 182 | L | 96.2 | Very high | 95.9 | Very high | 101 Ų | 101 | 95.7 Ų | 95.7 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.6 | 179.2 | 61.7 | 0 | 0 | 0 | 111.7 | A178 T179 N184 L185 L186 | A178-L182 PolarHBondContact O-N 3.16Å; T179-L182 PolarHBondContact O-N 2.85Å; L182-N184 VanDerWaalsContact C-N 3.31Å; L182-N184 PolarHBondContact O-N 3.35Å; L182-L185 PolarHBondContact O-N 3.42Å; L182-L186 HydrophobicContact CD1-CD1 4.4Å; L182-L186 HydrophobicContact CD1-CG 4.36Å; L182-L186 HydrophobicContact CG-CD1 4.16Å; L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 WeakPolarHBondContact O-CG 3.22Å; L182-L186 PolarHBondContact O-N 3.31Å |
| 183 | C | 95.1 | Very high | 95.9 | Very high | 68 Ų | 68 | 93.8 Ų | 93.8 | 46% | 0.459 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 175.7 | -71.5 | 0 | 0 | 0 | 0 | 111.9 | T179 R180 L186 K187 | T179-C183 WeakPolarHBondContact O-CB 3.31Å; T179-C183 PolarHBondContact O-N 3.37Å; T179-C183 PolarHBondContact O-SG 2.92Å; R180-C183 PolarHBondContact O-N 2.85Å; C183-L186 PolarHBondContact O-N 3.08Å; C183-K187 VanDerWaalsContact O-CB 3.28Å; C183-K187 WeakPolarHBondContact O-CB 3.39Å; C183-K187 PolarHBondContact O-N 3.36Å |
| 184 | N | 95.6 | Very high | 95.9 | Very high | 76 Ų | 76 | 91.9 Ų | 91.9 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 175.3 | -72.7 | -19.6 | 0 | 0 | 0 | 111.2 | R180 H181 L182 L186 K187 E188 | R180-N184 WeakPolarHBondContact O-CB 3.43Å; R180-N184 PolarHBondContact O-N 3.32Å; R180-N184 PolarHBondContact O-ND2 2.81Å; H181-N184 PolarHBondContact O-N 3.5Å; L182-N184 VanDerWaalsContact C-N 3.31Å; L182-N184 PolarHBondContact O-N 3.35Å; N184-L186 VanDerWaalsContact C-N 3.34Å; N184-L186 PolarHBondContact O-N 2.8Å; N184-K187 PolarHBondContact O-N 3.48Å; N184-E188 WeakPolarHBondContact O-CG 3.34Å; N184-E188 PolarHBondContact O-N 3.44Å |
| 185 | L | 96.6 | Very high | 95.9 | Very high | 95 Ų | 95 | 90.9 Ų | 90.9 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 176.5 | -176.9 | 64.7 | 0 | 0 | 0 | 112.1 | H181 L182 T189 | H181-L185 PolarHBondContact O-N 2.83Å; L182-L185 PolarHBondContact O-N 3.42Å; L185-T189 VanDerWaalsContact O-CB 3.3Å; L185-T189 WeakPolarHBondContact O-CB 3.49Å; L185-T189 PolarHBondContact O-N 2.84Å; L185-T189 PolarHBondContact O-OG1 3.24Å |
| 186 | L | 96.4 | Very high | 95.9 | Very high | 96 Ų | 96 | 90.7 Ų | 90.7 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 174.8 | -74.5 | 173.1 | 0 | 0 | 0 | 111.3 | L182 C183 N184 T189 C190 | L182-L186 HydrophobicContact CD1-CD1 4.4Å; L182-L186 HydrophobicContact CD1-CG 4.36Å; L182-L186 HydrophobicContact CG-CD1 4.16Å; L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 WeakPolarHBondContact O-CG 3.22Å; L182-L186 PolarHBondContact O-N 3.31Å; C183-L186 PolarHBondContact O-N 3.08Å; N184-L186 VanDerWaalsContact C-N 3.34Å; N184-L186 PolarHBondContact O-N 2.8Å; L186-T189 PolarHBondContact O-N 2.92Å; L186-C190 WeakPolarHBondContact O-CB 3.46Å; L186-C190 PolarHBondContact O-N 3.29Å; L186-C190 PolarHBondContact O-SG 3.48Å |
| 187 | K | 96.4 | Very high | 95.9 | Very high | 158 Ų | 158 | 89.7 Ų | 89.7 | 69% | 0.687 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.4 | -45.4 | 176.9 | -175 | 179.7 | 179.6 | -177.8 | 0 | 111.4 | C183 N184 T189 C190 A191 | C183-K187 VanDerWaalsContact O-CB 3.28Å; C183-K187 WeakPolarHBondContact O-CB 3.39Å; C183-K187 PolarHBondContact O-N 3.36Å; N184-K187 PolarHBondContact O-N 3.48Å; K187-T189 VanDerWaalsContact C-N 3.34Å; K187-C190 PolarHBondContact O-N 2.89Å; K187-A191 WeakPolarHBondContact O-CB 3.48Å; K187-A191 PolarHBondContact O-N 3.46Å |
| 188 | E | 95.8 | Very high | 96 | Very high | 113 Ų | 113 | 93.6 Ų | 93.6 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 175 | -74.4 | 175.4 | -169.4 | 0 | 0 | 112.2 | N184 A191 R192 | N184-E188 WeakPolarHBondContact O-CG 3.34Å; N184-E188 PolarHBondContact O-N 3.44Å; E188-A191 PolarHBondContact O-N 3.24Å; E188-R192 WeakPolarHBondContact O-CB 3.37Å; E188-R192 VanDerWaalsContact O-CG 3.27Å; E188-R192 WeakPolarHBondContact O-CG 3.28Å; E188-R192 PolarHBondContact O-N 3.23Å; E188-R192 PolarHBondContact O-NE 3.07Å |
| 189 | T | 96.2 | Very high | 96 | Very high | 62 Ų | 62 | 96 Ų | 96 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 176.7 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | L185 L186 K187 R192 S193 | L185-T189 VanDerWaalsContact O-CB 3.3Å; L185-T189 WeakPolarHBondContact O-CB 3.49Å; L185-T189 PolarHBondContact O-N 2.84Å; L185-T189 PolarHBondContact O-OG1 3.24Å; L186-T189 PolarHBondContact O-N 2.92Å; K187-T189 VanDerWaalsContact C-N 3.34Å; T189-R192 PolarHBondContact O-N 3.24Å; T189-R192 PolarHBondContact OG1-NH2 2.9Å; T189-S193 WeakPolarHBondContact O-CB 3.45Å; T189-S193 PolarHBondContact O-N 3.31Å; T189-S193 PolarHBondContact O-OG 2.92Å |
| 190 | C | 95.5 | Very high | 95.9 | Very high | 80 Ų | 80 | 98.6 Ų | 98.6 | 54% | 0.541 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 174 | -66.2 | 0 | 0 | 0 | 0 | 111.9 | L186 K187 S193 A194 | L186-C190 WeakPolarHBondContact O-CB 3.46Å; L186-C190 PolarHBondContact O-N 3.29Å; L186-C190 PolarHBondContact O-SG 3.48Å; K187-C190 PolarHBondContact O-N 2.89Å; C190-S193 WeakPolarHBondContact CA-OG 3.4Å; C190-S193 PolarHBondContact O-N 2.9Å; C190-S193 PolarHBondContact O-OG 3.29Å; C190-A194 VanDerWaalsContact O-CB 3.24Å; C190-A194 WeakPolarHBondContact O-CB 3.42Å; C190-A194 PolarHBondContact O-N 3.39Å |
| 191 | A | 96.7 | Very high | 95.9 | Very high | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K187 E188 A194 E195 | K187-A191 WeakPolarHBondContact O-CB 3.48Å; K187-A191 PolarHBondContact O-N 3.46Å; E188-A191 PolarHBondContact O-N 3.24Å; A191-A194 PolarHBondContact O-N 3.05Å; A191-E195 WeakPolarHBondContact O-CB 3.32Å; A191-E195 PolarHBondContact O-N 3.23Å |
| 192 | R | 95.9 | Very high | 95.9 | Very high | 145 Ų | 145 | 99.5 Ų | 99.5 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.9 | -75.9 | -176.5 | -70.3 | 156.3 | -3.8 | 112.3 | E188 T189 E195 K196 | E188-R192 WeakPolarHBondContact O-CB 3.37Å; E188-R192 VanDerWaalsContact O-CG 3.27Å; E188-R192 WeakPolarHBondContact O-CG 3.28Å; E188-R192 PolarHBondContact O-N 3.23Å; E188-R192 PolarHBondContact O-NE 3.07Å; T189-R192 PolarHBondContact O-N 3.24Å; T189-R192 PolarHBondContact OG1-NH2 2.9Å; R192-E195 PolarHBondContact O-N 2.94Å; R192-K196 VanDerWaalsContact O-CB 3.29Å; R192-K196 WeakPolarHBondContact O-CB 3.33Å; R192-K196 PolarHBondContact O-N 2.91Å |
| 193 | S | 94.9 | Very high | 95.9 | Very high | 62 Ų | 62 | 99.5 Ų | 99.5 | 43% | 0.434 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 177.5 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | T189 C190 K196 T197 | T189-S193 WeakPolarHBondContact O-CB 3.45Å; T189-S193 PolarHBondContact O-N 3.31Å; T189-S193 PolarHBondContact O-OG 2.92Å; C190-S193 WeakPolarHBondContact CA-OG 3.4Å; C190-S193 PolarHBondContact O-N 2.9Å; C190-S193 PolarHBondContact O-OG 3.29Å; S193-K196 PolarHBondContact O-N 2.74Å; S193-T197 WeakPolarHBondContact O-CB 3.43Å; S193-T197 PolarHBondContact O-N 3.14Å; S193-T197 PolarHBondContact O-OG1 2.95Å |
| 194 | A | 95.8 | Very high | 95.9 | Very high | 47 Ų | 47 | 102.5 Ų | 102.5 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C190 A191 T197 K198 | C190-A194 VanDerWaalsContact O-CB 3.24Å; C190-A194 WeakPolarHBondContact O-CB 3.42Å; C190-A194 PolarHBondContact O-N 3.39Å; A191-A194 PolarHBondContact O-N 3.05Å; A194-T197 PolarHBondContact O-N 2.81Å; A194-K198 WeakPolarHBondContact O-CG 3.27Å; A194-K198 PolarHBondContact O-N 3.3Å |
| 195 | E | 96.1 | Very high | 95.8 | Very high | 103 Ų | 103 | 103.5 Ų | 103.5 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 175.5 | -164.9 | -169.1 | 151 | 0 | 0 | 111.6 | A191 R192 K198 K199 | A191-E195 WeakPolarHBondContact O-CB 3.32Å; A191-E195 PolarHBondContact O-N 3.23Å; R192-E195 PolarHBondContact O-N 2.94Å; E195-K198 PolarHBondContact O-N 3.24Å; E195-K199 WeakPolarHBondContact O-CG 3.29Å; E195-K199 PolarHBondContact O-N 2.98Å; E195-K199 VanDerWaalsContact OE1-CE 3.26Å; E195-K199 WeakPolarHBondContact OE1-CE 3.43Å; E195-K199 IonicContact OE1-NZ 2.81Å; E195-K199 PolarHBondContact OE1-NZ 3.42Å |
| 196 | K | 96.5 | Very high | 95.7 | Very high | 116 Ų | 116 | 104 Ų | 104 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.3 | -172.2 | 173.5 | -177.7 | 179.2 | 0 | 112.3 | R192 S193 K199 Y200 | R192-K196 VanDerWaalsContact O-CB 3.29Å; R192-K196 WeakPolarHBondContact O-CB 3.33Å; R192-K196 PolarHBondContact O-N 2.91Å; S193-K196 PolarHBondContact O-N 2.74Å; K196-K199 PolarHBondContact O-N 2.94Å; K196-Y200 HydrophobicContact CD-CE2 4.1Å; K196-Y200 VanDerWaalsContact CE-CZ 3.48Å; K196-Y200 WeakPolarHBondContact CE-OH 3.43Å; K196-Y200 HydrophobicContact CG-CD2 4.17Å; K196-Y200 HydrophobicContact CG-CE2 3.6Å; K196-Y200 WeakPolarHBondContact O-CD2 3.45Å; K196-Y200 PolarHBondContact O-N 3.01Å |
| 197 | T | 95.7 | Very high | 95.6 | Very high | 72 Ų | 72 | 104 Ų | 104 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 175.2 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | S193 A194 K199 Y200 E201 | S193-T197 WeakPolarHBondContact O-CB 3.43Å; S193-T197 PolarHBondContact O-N 3.14Å; S193-T197 PolarHBondContact O-OG1 2.95Å; A194-T197 PolarHBondContact O-N 2.81Å; T197-K199 VanDerWaalsContact C-N 3.33Å; T197-K199 PolarHBondContact O-N 3.3Å; T197-Y200 PolarHBondContact O-N 3.09Å; T197-E201 WeakPolarHBondContact O-CG 3.32Å; T197-E201 PolarHBondContact O-N 3.44Å |
| 198 | K | 96.5 | Very high | 95.6 | Very high | 145 Ų | 145 | 101.9 Ų | 101.9 | 63% | 0.63 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.6 | -39.2 | 174.7 | -72 | 178.4 | -179.6 | -175.8 | 0 | 112.8 | A194 E195 E201 Y202 | A194-K198 WeakPolarHBondContact O-CG 3.27Å; A194-K198 PolarHBondContact O-N 3.3Å; E195-K198 PolarHBondContact O-N 3.24Å; K198-E201 PolarHBondContact O-N 3.32Å; K198-Y202 WeakPolarHBondContact O-CB 3.5Å; K198-Y202 PolarHBondContact O-N 3.11Å |
| 199 | K | 96.8 | Very high | 95.5 | Very high | 109 Ų | 109 | 100.6 Ų | 100.6 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 175 | -75.6 | 175.2 | -174.8 | 167.3 | 0 | 111.6 | E195 K196 T197 E201 Y202 E203 | E195-K199 WeakPolarHBondContact O-CG 3.29Å; E195-K199 PolarHBondContact O-N 2.98Å; E195-K199 VanDerWaalsContact OE1-CE 3.26Å; E195-K199 WeakPolarHBondContact OE1-CE 3.43Å; E195-K199 IonicContact OE1-NZ 2.81Å; E195-K199 PolarHBondContact OE1-NZ 3.42Å; K196-K199 PolarHBondContact O-N 2.94Å; T197-K199 VanDerWaalsContact C-N 3.33Å; T197-K199 PolarHBondContact O-N 3.3Å; K199-E201 VanDerWaalsContact C-N 3.34Å; K199-E201 PolarHBondContact O-N 2.9Å; K199-Y202 PolarHBondContact O-N 3.47Å; K199-E203 WeakPolarHBondContact O-CG 3.41Å; K199-E203 PolarHBondContact O-N 3.3Å |
| 200 | Y | 94.5 | Very high | 95.5 | Very high | 127 Ų | 127 | 101.9 Ų | 101.9 | 50% | 0.498 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -34.6 | 176.4 | -66 | -41 | 0 | 0 | 0 | 113.7 | K196 T197 R204 | K196-Y200 HydrophobicContact CD-CE2 4.1Å; K196-Y200 VanDerWaalsContact CE-CZ 3.48Å; K196-Y200 WeakPolarHBondContact CE-OH 3.43Å; K196-Y200 HydrophobicContact CG-CD2 4.17Å; K196-Y200 HydrophobicContact CG-CE2 3.6Å; K196-Y200 WeakPolarHBondContact O-CD2 3.45Å; K196-Y200 PolarHBondContact O-N 3.01Å; T197-Y200 PolarHBondContact O-N 3.09Å; Y200-R204 VanDerWaalsContact O-CB 3.24Å; Y200-R204 WeakPolarHBondContact O-CB 3.37Å; Y200-R204 PolarHBondContact O-N 2.9Å |
| 201 | E | 95.1 | Very high | 95.5 | Very high | 98 Ų | 98 | 105.5 Ų | 105.5 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 172.8 | -74 | 175 | 169 | 0 | 0 | 111.6 | T197 K198 K199 R204 E205 | T197-E201 WeakPolarHBondContact O-CG 3.32Å; T197-E201 PolarHBondContact O-N 3.44Å; K198-E201 PolarHBondContact O-N 3.32Å; K199-E201 VanDerWaalsContact C-N 3.34Å; K199-E201 PolarHBondContact O-N 2.9Å; E201-R204 PolarHBondContact O-N 2.89Å; E201-E205 WeakPolarHBondContact O-CB 3.33Å; E201-E205 PolarHBondContact O-N 3.35Å |
| 202 | Y | 95.7 | Very high | 95.4 | Very high | 160 Ų | 160 | 108.3 Ų | 108.3 | 63% | 0.627 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -49.1 | 175.8 | -177.1 | -90 | 0 | 0 | 0 | 111.7 | K198 K199 R204 E205 E206 | K198-Y202 WeakPolarHBondContact O-CB 3.5Å; K198-Y202 PolarHBondContact O-N 3.11Å; K199-Y202 PolarHBondContact O-N 3.47Å; Y202-R204 VanDerWaalsContact C-N 3.31Å; Y202-R204 PolarHBondContact O-N 2.93Å; Y202-E205 PolarHBondContact O-N 2.8Å; Y202-E205 VanDerWaalsContact O-N 3.12Å; Y202-E206 WeakPolarHBondContact O-CB 3.43Å; Y202-E206 PolarHBondContact O-N 3.25Å |
| 203 | E | 95.6 | Very high | 95.3 | Very high | 100 Ų | 100 | 105.3 Ų | 105.3 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 176.9 | -73.8 | 170.7 | -166.8 | 0 | 0 | 112.2 | K199 E205 T207 | K199-E203 WeakPolarHBondContact O-CG 3.41Å; K199-E203 PolarHBondContact O-N 3.3Å; E203-E205 VanDerWaalsContact C-N 3.34Å; E203-T207 WeakPolarHBondContact O-CB 3.34Å; E203-T207 PolarHBondContact O-N 3.27Å; E203-T207 PolarHBondContact O-OG1 3.05Å |
| 204 | R | 94.8 | Very high | 95.3 | Very high | 132 Ų | 132 | 106.9 Ų | 106.9 | 50% | 0.498 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 175.5 | -178.6 | -179.4 | 63.6 | 166.4 | -3.6 | 111.4 | Y200 E201 Y202 T207 R208 | Y200-R204 VanDerWaalsContact O-CB 3.24Å; Y200-R204 WeakPolarHBondContact O-CB 3.37Å; Y200-R204 PolarHBondContact O-N 2.9Å; E201-R204 PolarHBondContact O-N 2.89Å; Y202-R204 VanDerWaalsContact C-N 3.31Å; Y202-R204 PolarHBondContact O-N 2.93Å; R204-T207 PolarHBondContact O-N 3.41Å; R204-R208 WeakPolarHBondContact O-CG 3.45Å; R204-R208 PolarHBondContact O-N 3.5Å |
| 205 | E | 94.8 | Very high | 95.3 | Very high | 96 Ų | 96 | 108.2 Ų | 108.2 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.1 | -39.2 | 179.4 | -161.1 | 58 | -154.6 | 0 | 0 | 111.9 | E201 Y202 E203 T207 R208 Q209 | E201-E205 WeakPolarHBondContact O-CB 3.33Å; E201-E205 PolarHBondContact O-N 3.35Å; Y202-E205 PolarHBondContact O-N 2.8Å; Y202-E205 VanDerWaalsContact O-N 3.12Å; E203-E205 VanDerWaalsContact C-N 3.34Å; E205-T207 VanDerWaalsContact C-N 3.31Å; E205-T207 PolarHBondContact O-N 2.96Å; E205-R208 WeakPolarHBondContact O-CB 3.42Å; E205-R208 PolarHBondContact O-N 3.32Å; E205-R208 IonicContact OE2-NH1 2.72Å; E205-R208 PolarHBondContact OE2-NH1 3.05Å; E205-Q209 WeakPolarHBondContact O-CB 3.28Å; E205-Q209 PolarHBondContact O-N 2.77Å |
| 206 | E | 94.8 | Very high | 95.3 | Very high | 106 Ų | 106 | 107 Ų | 107 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 170.6 | -175 | 176.6 | -164.8 | 0 | 0 | 111 | Y202 R208 Q209 V210 | Y202-E206 WeakPolarHBondContact O-CB 3.43Å; Y202-E206 PolarHBondContact O-N 3.25Å; E206-R208 VanDerWaalsContact C-N 3.35Å; E206-R208 PolarHBondContact O-N 3.43Å; E206-Q209 PolarHBondContact O-N 2.92Å; E206-V210 VanDerWaalsContact O-CG2 3.3Å; E206-V210 WeakPolarHBondContact O-CG2 3.45Å; E206-V210 PolarHBondContact O-N 2.84Å |
| 207 | T | 93.7 | Very high | 95.2 | Very high | 96 Ų | 96 | 106.4 Ų | 106.4 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 175.6 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | E203 R204 E205 Y211 | E203-T207 WeakPolarHBondContact O-CB 3.34Å; E203-T207 PolarHBondContact O-N 3.27Å; E203-T207 PolarHBondContact O-OG1 3.05Å; R204-T207 PolarHBondContact O-N 3.41Å; E205-T207 VanDerWaalsContact C-N 3.31Å; E205-T207 PolarHBondContact O-N 2.96Å; T207-Y211 WeakPolarHBondContact O-CB 3.42Å; T207-Y211 PolarHBondContact O-N 2.92Å |
| 208 | R | 95.8 | Very high | 95.2 | Very high | 114 Ų | 114 | 106.2 Ų | 106.2 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.7 | -76.9 | -177.5 | -176.4 | 131.6 | -3.1 | 111.7 | R204 E205 E206 Y211 M212 | R204-R208 WeakPolarHBondContact O-CG 3.45Å; R204-R208 PolarHBondContact O-N 3.5Å; E205-R208 WeakPolarHBondContact O-CB 3.42Å; E205-R208 PolarHBondContact O-N 3.32Å; E205-R208 IonicContact OE2-NH1 2.72Å; E205-R208 PolarHBondContact OE2-NH1 3.05Å; E206-R208 VanDerWaalsContact C-N 3.35Å; E206-R208 PolarHBondContact O-N 3.43Å; R208-Y211 PolarHBondContact O-N 2.83Å; R208-M212 WeakPolarHBondContact O-CG 3.39Å; R208-M212 PolarHBondContact O-N 3.31Å |
| 209 | Q | 94.7 | Very high | 95.1 | Very high | 86 Ų | 86 | 103.9 Ų | 103.9 | 40% | 0.402 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 177.9 | -174.5 | 56.8 | 53.4 | 0 | 0 | 110.7 | E205 E206 Y211 M212 D213 | E205-Q209 WeakPolarHBondContact O-CB 3.28Å; E205-Q209 PolarHBondContact O-N 2.77Å; E206-Q209 PolarHBondContact O-N 2.92Å; Q209-Y211 VanDerWaalsContact C-N 3.3Å; Q209-Y211 PolarHBondContact O-N 2.79Å; Q209-M212 WeakPolarHBondContact O-CB 3.38Å; Q209-M212 PolarHBondContact O-N 3.33Å; Q209-M212 VanDerWaalsContact O-N 3.16Å; Q209-D213 VanDerWaalsContact NE2-CG 3.33Å; Q209-D213 PolarHBondContact NE2-OD1 3.15Å; Q209-D213 PolarHBondContact NE2-OD2 3.24Å; Q209-D213 VanDerWaalsContact NE2-OD2 3.15Å; Q209-D213 WeakPolarHBondContact O-CB 3.23Å; Q209-D213 VanDerWaalsContact O-CG 3.25Å; Q209-D213 PolarHBondContact O-N 3.42Å |
| 210 | V | 95.5 | Very high | 95.1 | Very high | 88 Ų | 88 | 104.9 Ų | 104.9 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 175 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | E206 D213 L214 | E206-V210 VanDerWaalsContact O-CG2 3.3Å; E206-V210 WeakPolarHBondContact O-CG2 3.45Å; E206-V210 PolarHBondContact O-N 2.84Å; V210-D213 PolarHBondContact O-N 3.08Å; V210-L214 VanDerWaalsContact O-CB 3.3Å; V210-L214 WeakPolarHBondContact O-CB 3.43Å; V210-L214 PolarHBondContact O-N 3.34Å |
| 211 | Y | 95.4 | Very high | 95.1 | Very high | 157 Ų | 157 | 103.2 Ų | 103.2 | 62% | 0.616 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.2 | -41.8 | 175.9 | -171.1 | -93.9 | 0 | 0 | 0 | 112.3 | T207 R208 Q209 L214 N215 | T207-Y211 WeakPolarHBondContact O-CB 3.42Å; T207-Y211 PolarHBondContact O-N 2.92Å; R208-Y211 PolarHBondContact O-N 2.83Å; Q209-Y211 VanDerWaalsContact C-N 3.3Å; Q209-Y211 PolarHBondContact O-N 2.79Å; Y211-L214 PolarHBondContact O-N 3.14Å; Y211-N215 WeakPolarHBondContact O-CB 3.47Å; Y211-N215 PolarHBondContact O-N 3.06Å |
| 212 | M | 94.5 | Very high | 95.1 | Very high | 116 Ų | 116 | 102.8 Ų | 102.8 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 174.8 | -74.1 | 178 | 59.4 | 0 | 0 | 111.6 | R208 Q209 N215 N216 | R208-M212 WeakPolarHBondContact O-CG 3.39Å; R208-M212 PolarHBondContact O-N 3.31Å; Q209-M212 WeakPolarHBondContact O-CB 3.38Å; Q209-M212 PolarHBondContact O-N 3.33Å; Q209-M212 VanDerWaalsContact O-N 3.16Å; M212-N215 PolarHBondContact O-N 3.06Å; M212-N216 VanDerWaalsContact O-CB 3.27Å; M212-N216 WeakPolarHBondContact O-CB 3.45Å; M212-N216 PolarHBondContact O-N 3.25Å |
| 213 | D | 95.2 | Very high | 95.1 | Very high | 81 Ų | 81 | 98.7 Ų | 98.7 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.9 | -41.2 | 177.9 | -68.7 | -28.4 | 0 | 0 | 0 | 111.8 | Q209 V210 N216 N217 | Q209-D213 VanDerWaalsContact NE2-CG 3.33Å; Q209-D213 PolarHBondContact NE2-OD1 3.15Å; Q209-D213 PolarHBondContact NE2-OD2 3.24Å; Q209-D213 VanDerWaalsContact NE2-OD2 3.15Å; Q209-D213 WeakPolarHBondContact O-CB 3.23Å; Q209-D213 VanDerWaalsContact O-CG 3.25Å; Q209-D213 PolarHBondContact O-N 3.42Å; V210-D213 PolarHBondContact O-N 3.08Å; D213-N216 PolarHBondContact O-N 3.39Å; D213-N217 WeakPolarHBondContact O-CB 3.25Å; D213-N217 PolarHBondContact O-N 2.97Å |
| 214 | L | 94.3 | Very high | 95.2 | Very high | 96 Ų | 96 | 96 Ų | 96 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 172.8 | 178.2 | 62.9 | 0 | 0 | 0 | 111.1 | V210 Y211 N216 N217 I218 | V210-L214 VanDerWaalsContact O-CB 3.3Å; V210-L214 WeakPolarHBondContact O-CB 3.43Å; V210-L214 PolarHBondContact O-N 3.34Å; Y211-L214 PolarHBondContact O-N 3.14Å; L214-N216 VanDerWaalsContact C-N 3.34Å; L214-N216 PolarHBondContact O-N 3.4Å; L214-N217 WeakPolarHBondContact O-CB 3.46Å; L214-N217 PolarHBondContact O-N 3.16Å; L214-I218 HydrophobicContact CD1-CD1 4.16Å; L214-I218 HydrophobicContact CD1-CG1 4.41Å; L214-I218 HydrophobicContact CG-CD1 3.98Å; L214-I218 WeakPolarHBondContact O-CG1 3.44Å; L214-I218 PolarHBondContact O-N 3Å |
| 215 | N | 94.9 | Very high | 95.2 | Very high | 74 Ų | 74 | 96.2 Ų | 96.2 | 40% | 0.396 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 177.8 | -167.9 | 74.8 | 0 | 0 | 0 | 111.3 | Y211 M212 N217 I218 E219 | Y211-N215 WeakPolarHBondContact O-CB 3.47Å; Y211-N215 PolarHBondContact O-N 3.06Å; M212-N215 PolarHBondContact O-N 3.06Å; N215-N217 VanDerWaalsContact C-N 3.33Å; N215-N217 PolarHBondContact O-N 3.24Å; N215-I218 PolarHBondContact O-N 2.87Å; N215-E219 WeakPolarHBondContact O-CG 3.26Å; N215-E219 PolarHBondContact O-N 3.23Å |
| 216 | N | 95.6 | Very high | 95.2 | Very high | 79 Ų | 79 | 95.4 Ų | 95.4 | 42% | 0.422 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 175.4 | -170.5 | 20.8 | 0 | 0 | 0 | 112.2 | M212 D213 L214 K220 | M212-N216 VanDerWaalsContact O-CB 3.27Å; M212-N216 WeakPolarHBondContact O-CB 3.45Å; M212-N216 PolarHBondContact O-N 3.25Å; D213-N216 PolarHBondContact O-N 3.39Å; L214-N216 VanDerWaalsContact C-N 3.34Å; L214-N216 PolarHBondContact O-N 3.4Å; N216-K220 WeakPolarHBondContact O-CB 3.39Å; N216-K220 VanDerWaalsContact O-CG 3.25Å; N216-K220 WeakPolarHBondContact O-CG 3.46Å; N216-K220 PolarHBondContact O-N 3.45Å; N216-K220 WeakPolarHBondContact OD1-CE 3.45Å |
| 217 | N | 95.7 | Very high | 95.2 | Very high | 102 Ų | 102 | 96.5 Ų | 96.5 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 173.9 | -171 | -20.8 | 0 | 0 | 0 | 111.4 | D213 L214 N215 E219 K220 M221 | D213-N217 WeakPolarHBondContact O-CB 3.25Å; D213-N217 PolarHBondContact O-N 2.97Å; L214-N217 WeakPolarHBondContact O-CB 3.46Å; L214-N217 PolarHBondContact O-N 3.16Å; N215-N217 VanDerWaalsContact C-N 3.33Å; N215-N217 PolarHBondContact O-N 3.24Å; N217-E219 VanDerWaalsContact C-N 3.34Å; N217-E219 PolarHBondContact O-N 2.91Å; N217-K220 PolarHBondContact O-N 3.13Å; N217-M221 WeakPolarHBondContact O-CB 3.49Å; N217-M221 PolarHBondContact O-N 2.83Å |
| 218 | I | 95.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 96.7 Ų | 96.7 | 35% | 0.349 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 176.2 | -69 | 167 | 0 | 0 | 0 | 110.8 | L214 N215 K220 M221 I222 | L214-I218 HydrophobicContact CD1-CD1 4.16Å; L214-I218 HydrophobicContact CD1-CG1 4.41Å; L214-I218 HydrophobicContact CG-CD1 3.98Å; L214-I218 WeakPolarHBondContact O-CG1 3.44Å; L214-I218 PolarHBondContact O-N 3Å; N215-I218 PolarHBondContact O-N 2.87Å; I218-K220 PolarHBondContact O-N 3.15Å; I218-M221 WeakPolarHBondContact O-CB 3.38Å; I218-M221 PolarHBondContact O-N 2.87Å; I218-I222 HydrophobicContact CG2-CD1 3.83Å; I218-I222 HydrophobicContact CG2-CG1 4.39Å; I218-I222 VanDerWaalsContact O-CG1 3.31Å; I218-I222 WeakPolarHBondContact O-CG1 3.43Å; I218-I222 PolarHBondContact O-N 3.38Å |
| 219 | E | 95.4 | Very high | 95.3 | Very high | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 177.7 | -71.2 | -62.3 | 163.2 | 0 | 0 | 112.8 | N215 N217 M221 I222 T223 | N215-E219 WeakPolarHBondContact O-CG 3.26Å; N215-E219 PolarHBondContact O-N 3.23Å; N217-E219 VanDerWaalsContact C-N 3.34Å; N217-E219 PolarHBondContact O-N 2.91Å; E219-M221 VanDerWaalsContact C-N 3.33Å; E219-M221 PolarHBondContact O-N 2.86Å; E219-I222 PolarHBondContact O-N 3.47Å; E219-T223 WeakPolarHBondContact O-CB 3.5Å; E219-T223 PolarHBondContact O-N 3.11Å; E219-T223 PolarHBondContact O-OG1 3.47Å |
| 220 | K | 96.3 | Very high | 95.3 | Very high | 130 Ų | 130 | 97.3 Ų | 97.3 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 172.7 | -74.8 | 171.9 | -177.6 | 177.3 | 0 | 111.7 | N216 N217 I218 T223 A224 | N216-K220 WeakPolarHBondContact O-CB 3.39Å; N216-K220 VanDerWaalsContact O-CG 3.25Å; N216-K220 WeakPolarHBondContact O-CG 3.46Å; N216-K220 PolarHBondContact O-N 3.45Å; N216-K220 WeakPolarHBondContact OD1-CE 3.45Å; N217-K220 PolarHBondContact O-N 3.13Å; I218-K220 PolarHBondContact O-N 3.15Å; K220-T223 PolarHBondContact O-N 2.94Å; K220-A224 WeakPolarHBondContact O-CB 3.19Å; K220-A224 PolarHBondContact O-N 3.34Å |
| 221 | M | 94.9 | Very high | 95.2 | Very high | 93 Ų | 93 | 99 Ų | 99 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 177.2 | -174 | 175.8 | 64.8 | 0 | 0 | 111.2 | N217 I218 E219 A224 F225 | N217-M221 WeakPolarHBondContact O-CB 3.49Å; N217-M221 PolarHBondContact O-N 2.83Å; I218-M221 WeakPolarHBondContact O-CB 3.38Å; I218-M221 PolarHBondContact O-N 2.87Å; E219-M221 VanDerWaalsContact C-N 3.33Å; E219-M221 PolarHBondContact O-N 2.86Å; M221-A224 PolarHBondContact O-N 3.31Å; M221-F225 HydrophobicContact CG-CD2 3.68Å; M221-F225 HydrophobicContact CG-CE2 3.5Å; M221-F225 VanDerWaalsContact CG-CE2 3.5Å; M221-F225 WeakPolarHBondContact O-CD2 3.39Å; M221-F225 PolarHBondContact O-N 3.5Å; M221-F225 HydrophobicContact SD-CE2 4.01Å |
| 222 | I | 94.9 | Very high | 95.1 | Very high | 88 Ų | 88 | 94.5 Ų | 94.5 | 45% | 0.451 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 174.3 | -70.5 | 167 | 0 | 0 | 0 | 110.4 | I218 E219 A224 F225 E226 | I218-I222 HydrophobicContact CG2-CD1 3.83Å; I218-I222 HydrophobicContact CG2-CG1 4.39Å; I218-I222 VanDerWaalsContact O-CG1 3.31Å; I218-I222 WeakPolarHBondContact O-CG1 3.43Å; I218-I222 PolarHBondContact O-N 3.38Å; E219-I222 PolarHBondContact O-N 3.47Å; I222-A224 PolarHBondContact O-N 3.37Å; I222-F225 PolarHBondContact O-N 2.8Å; I222-E226 WeakPolarHBondContact O-CB 3.38Å; I222-E226 PolarHBondContact O-N 2.9Å |
| 223 | T | 95.2 | Very high | 95 | Very high | 74 Ų | 74 | 93.2 Ų | 93.2 | 45% | 0.454 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 178.9 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | E219 K220 F225 E226 E227 | E219-T223 WeakPolarHBondContact O-CB 3.5Å; E219-T223 PolarHBondContact O-N 3.11Å; E219-T223 PolarHBondContact O-OG1 3.47Å; K220-T223 PolarHBondContact O-N 2.94Å; T223-F225 PolarHBondContact O-N 2.89Å; T223-E226 PolarHBondContact O-N 3.08Å; T223-E227 WeakPolarHBondContact O-CG 3.37Å; T223-E227 PolarHBondContact O-N 3.47Å |
| 224 | A | 96.9 | Very high | 94.9 | Very high | 45 Ų | 45 | 94 Ų | 94 | 37% | 0.372 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K220 M221 I222 E227 L228 | K220-A224 WeakPolarHBondContact O-CB 3.19Å; K220-A224 PolarHBondContact O-N 3.34Å; M221-A224 PolarHBondContact O-N 3.31Å; I222-A224 PolarHBondContact O-N 3.37Å; A224-E227 PolarHBondContact O-N 3.09Å; A224-L228 WeakPolarHBondContact O-CB 3.37Å; A224-L228 WeakPolarHBondContact O-CG 3.06Å; A224-L228 PolarHBondContact O-N 3.14Å |
| 225 | F | 95.8 | Very high | 94.9 | Very high | 135 Ų | 135 | 92.6 Ų | 92.6 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.5 | -38.5 | 174.9 | -85.6 | -62.6 | 0 | 0 | 0 | 112.4 | M221 I222 T223 L228 R229 | M221-F225 HydrophobicContact CG-CD2 3.68Å; M221-F225 HydrophobicContact CG-CE2 3.5Å; M221-F225 VanDerWaalsContact CG-CE2 3.5Å; M221-F225 WeakPolarHBondContact O-CD2 3.39Å; M221-F225 PolarHBondContact O-N 3.5Å; M221-F225 HydrophobicContact SD-CE2 4.01Å; I222-F225 PolarHBondContact O-N 2.8Å; T223-F225 PolarHBondContact O-N 2.89Å; F225-L228 PolarHBondContact O-N 3.48Å; F225-R229 VanDerWaalsContact O-CB 3.28Å; F225-R229 WeakPolarHBondContact O-CB 3.45Å; F225-R229 PolarHBondContact O-N 3.18Å |
| 226 | E | 95 | Very high | 94.9 | Very high | 80 Ų | 80 | 94.3 Ų | 94.3 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 176.2 | -177.2 | 54.8 | -147.6 | 0 | 0 | 111.2 | I222 T223 R229 V230 | I222-E226 WeakPolarHBondContact O-CB 3.38Å; I222-E226 PolarHBondContact O-N 2.9Å; T223-E226 PolarHBondContact O-N 3.08Å; E226-R229 WeakPolarHBondContact O-CB 3.38Å; E226-R229 PolarHBondContact O-N 2.98Å; E226-R229 IonicContact OE1-CZ 2.78Å; E226-R229 VanDerWaalsContact OE1-CZ 3.23Å; E226-R229 IonicContact OE1-NE 2.76Å; E226-R229 PolarHBondContact OE1-NE 3.04Å; E226-R229 IonicContact OE1-NH2 2.64Å; E226-R229 PolarHBondContact OE1-NH2 3.34Å; E226-R229 IonicContact OE2-CZ 2.76Å; E226-R229 IonicContact OE2-NE 2.8Å; E226-R229 PolarHBondContact OE2-NE 3.18Å; E226-R229 IonicContact OE2-NH2 3.9Å; E226-R229 PolarHBondContact OE2-NH2 2.95Å; E226-V230 WeakPolarHBondContact O-CG2 3.45Å; E226-V230 PolarHBondContact O-N 2.97Å |
| 227 | E | 95.5 | Very high | 94.9 | Very high | 128 Ų | 128 | 94.1 Ų | 94.1 | 60% | 0.598 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.4 | -47.1 | 172.8 | -75.3 | 176.6 | -175 | 0 | 0 | 112.1 | T223 A224 R229 V230 Q231 | T223-E227 WeakPolarHBondContact O-CG 3.37Å; T223-E227 PolarHBondContact O-N 3.47Å; A224-E227 PolarHBondContact O-N 3.09Å; E227-R229 VanDerWaalsContact C-N 3.31Å; E227-R229 PolarHBondContact O-N 2.81Å; E227-V230 PolarHBondContact O-N 3.43Å; E227-Q231 WeakPolarHBondContact O-CB 3.4Å; E227-Q231 PolarHBondContact O-N 2.8Å |
| 228 | L | 95.4 | Very high | 94.8 | Very high | 100 Ų | 100 | 94 Ų | 94 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 175.1 | -75.3 | 172.9 | 0 | 0 | 0 | 111.9 | A224 F225 Q231 A232 | A224-L228 WeakPolarHBondContact O-CB 3.37Å; A224-L228 WeakPolarHBondContact O-CG 3.06Å; A224-L228 PolarHBondContact O-N 3.14Å; F225-L228 PolarHBondContact O-N 3.48Å; L228-Q231 PolarHBondContact O-N 3.48Å; L228-A232 VanDerWaalsContact O-CB 3.31Å; L228-A232 WeakPolarHBondContact O-CB 3.33Å; L228-A232 PolarHBondContact O-N 3.04Å |
| 229 | R | 96 | Very high | 94.8 | Very high | 151 Ų | 151 | 96.8 Ų | 96.8 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.2 | -46.8 | 177 | -175.3 | 179.9 | 72.1 | 88 | -11.8 | 111.1 | F225 E226 E227 Q231 A232 E233 | F225-R229 VanDerWaalsContact O-CB 3.28Å; F225-R229 WeakPolarHBondContact O-CB 3.45Å; F225-R229 PolarHBondContact O-N 3.18Å; E226-R229 WeakPolarHBondContact O-CB 3.38Å; E226-R229 PolarHBondContact O-N 2.98Å; E226-R229 IonicContact OE1-CZ 2.78Å; E226-R229 VanDerWaalsContact OE1-CZ 3.23Å; E226-R229 IonicContact OE1-NE 2.76Å; E226-R229 PolarHBondContact OE1-NE 3.04Å; E226-R229 IonicContact OE1-NH2 2.64Å; E226-R229 PolarHBondContact OE1-NH2 3.34Å; E226-R229 IonicContact OE2-CZ 2.76Å; E226-R229 IonicContact OE2-NE 2.8Å; E226-R229 PolarHBondContact OE2-NE 3.18Å; E226-R229 IonicContact OE2-NH2 3.9Å; E226-R229 PolarHBondContact OE2-NH2 2.95Å; E227-R229 VanDerWaalsContact C-N 3.31Å; E227-R229 PolarHBondContact O-N 2.81Å; R229-Q231 VanDerWaalsContact C-N 3.35Å; R229-A232 PolarHBondContact O-N 3.45Å; R229-E233 WeakPolarHBondContact O-CB 3.46Å; R229-E233 PolarHBondContact O-N 3.48Å |
| 230 | V | 94.1 | Very high | 94.6 | Very high | 62 Ų | 62 | 96.9 Ų | 96.9 | 38% | 0.376 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | E226 E227 E233 N234 | E226-V230 WeakPolarHBondContact O-CG2 3.45Å; E226-V230 PolarHBondContact O-N 2.97Å; E227-V230 PolarHBondContact O-N 3.43Å; V230-E233 PolarHBondContact O-N 3.18Å; V230-N234 WeakPolarHBondContact O-CB 3.22Å; V230-N234 VanDerWaalsContact O-CG 3.27Å; V230-N234 PolarHBondContact O-N 3.36Å |
| 231 | Q | 94 | Very high | 94.5 | Very high | 125 Ų | 125 | 96.5 Ų | 96.5 | 58% | 0.584 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.4 | -42.9 | 177.3 | -171.7 | -179 | 12.3 | 0 | 0 | 112.2 | E227 L228 R229 N234 S235 | E227-Q231 WeakPolarHBondContact O-CB 3.4Å; E227-Q231 PolarHBondContact O-N 2.8Å; L228-Q231 PolarHBondContact O-N 3.48Å; R229-Q231 VanDerWaalsContact C-N 3.35Å; Q231-N234 PolarHBondContact O-N 3.49Å; Q231-S235 WeakPolarHBondContact O-CB 3.36Å; Q231-S235 PolarHBondContact O-N 2.84Å; Q231-S235 PolarHBondContact O-OG 3.06Å |
| 232 | A | 92.3 | Very high | 94.5 | Very high | 62 Ų | 62 | 97.5 Ų | 97.5 | 51% | 0.512 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L228 R229 S235 R236 | L228-A232 VanDerWaalsContact O-CB 3.31Å; L228-A232 WeakPolarHBondContact O-CB 3.33Å; L228-A232 PolarHBondContact O-N 3.04Å; R229-A232 PolarHBondContact O-N 3.45Å; A232-S235 PolarHBondContact O-N 2.91Å; A232-R236 WeakPolarHBondContact O-CB 3.33Å; A232-R236 PolarHBondContact O-N 3.14Å |
| 233 | E | 92.7 | Very high | 94.4 | Very high | 89 Ų | 89 | 98.4 Ų | 98.4 | 42% | 0.416 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 177.5 | -177.7 | 65.2 | 176.8 | 0 | 0 | 112.3 | R229 V230 S235 R236 L237 | R229-E233 WeakPolarHBondContact O-CB 3.46Å; R229-E233 PolarHBondContact O-N 3.48Å; V230-E233 PolarHBondContact O-N 3.18Å; E233-S235 VanDerWaalsContact C-N 3.34Å; E233-S235 PolarHBondContact O-N 2.88Å; E233-R236 WeakPolarHBondContact O-CB 3.35Å; E233-R236 PolarHBondContact O-N 2.91Å; E233-R236 IonicContact OE1-CZ 3.43Å; E233-R236 IonicContact OE1-NE 2.92Å; E233-R236 IonicContact OE1-NH2 3.62Å; E233-R236 PolarHBondContact OE1-NH2 3.22Å; E233-R236 IonicContact OE2-CZ 2.8Å; E233-R236 IonicContact OE2-NE 2.79Å; E233-R236 PolarHBondContact OE2-NE 3.06Å; E233-R236 IonicContact OE2-NH2 2.76Å; E233-R236 PolarHBondContact OE2-NH2 3.25Å; E233-L237 WeakPolarHBondContact O-CB 3.32Å; E233-L237 PolarHBondContact O-N 2.8Å |
| 234 | N | 93 | Very high | 94.3 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 173.7 | -77.2 | -12.1 | 0 | 0 | 0 | 111.5 | V230 Q231 R236 L237 E238 | V230-N234 WeakPolarHBondContact O-CB 3.22Å; V230-N234 VanDerWaalsContact O-CG 3.27Å; V230-N234 PolarHBondContact O-N 3.36Å; Q231-N234 PolarHBondContact O-N 3.49Å; N234-R236 VanDerWaalsContact C-N 3.34Å; N234-R236 PolarHBondContact O-N 3.17Å; N234-L237 PolarHBondContact O-N 3.17Å; N234-E238 WeakPolarHBondContact O-CB 3.49Å; N234-E238 PolarHBondContact O-N 3.22Å |
| 235 | S | 95.3 | Very high | 94.1 | Very high | 68 Ų | 68 | 103.3 Ų | 103.3 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | Q231 A232 E233 M239 | Q231-S235 WeakPolarHBondContact O-CB 3.36Å; Q231-S235 PolarHBondContact O-N 2.84Å; Q231-S235 PolarHBondContact O-OG 3.06Å; A232-S235 PolarHBondContact O-N 2.91Å; E233-S235 VanDerWaalsContact C-N 3.34Å; E233-S235 PolarHBondContact O-N 2.88Å; S235-M239 PolarHBondContact O-N 2.97Å |
| 236 | R | 94 | Very high | 94 | Very high | 109 Ų | 109 | 100.6 Ų | 100.6 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 174.2 | -171.8 | -170.9 | 67.6 | 75.1 | -1.6 | 111.3 | A232 E233 N234 M239 H240 | A232-R236 WeakPolarHBondContact O-CB 3.33Å; A232-R236 PolarHBondContact O-N 3.14Å; E233-R236 WeakPolarHBondContact O-CB 3.35Å; E233-R236 PolarHBondContact O-N 2.91Å; E233-R236 IonicContact OE1-CZ 3.43Å; E233-R236 IonicContact OE1-NE 2.92Å; E233-R236 IonicContact OE1-NH2 3.62Å; E233-R236 PolarHBondContact OE1-NH2 3.22Å; E233-R236 IonicContact OE2-CZ 2.8Å; E233-R236 IonicContact OE2-NE 2.79Å; E233-R236 PolarHBondContact OE2-NE 3.06Å; E233-R236 IonicContact OE2-NH2 2.76Å; E233-R236 PolarHBondContact OE2-NH2 3.25Å; N234-R236 VanDerWaalsContact C-N 3.34Å; N234-R236 PolarHBondContact O-N 3.17Å; R236-M239 WeakPolarHBondContact O-CB 3.44Å; R236-M239 PolarHBondContact O-N 3.21Å; R236-H240 PolarHBondContact NH1-CD2 2.8Å; R236-H240 PolarHBondContact NH1-NE2 3.27Å; R236-H240 PolarHBondContact O-CD2 2.98Å; R236-H240 PolarHBondContact O-N 3.46Å |
| 237 | L | 95 | Very high | 93.9 | Very high | 75 Ų | 75 | 103.7 Ų | 103.7 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 179.9 | -159.6 | 72.4 | 0 | 0 | 0 | 111.7 | E233 N234 M239 H240 F241 | E233-L237 WeakPolarHBondContact O-CB 3.32Å; E233-L237 PolarHBondContact O-N 2.8Å; N234-L237 PolarHBondContact O-N 3.17Å; L237-M239 VanDerWaalsContact C-N 3.35Å; L237-M239 PolarHBondContact O-N 2.9Å; L237-H240 WeakPolarHBondContact O-CB 3.19Å; L237-H240 PolarHBondContact O-N 3.45Å; L237-H240 VanDerWaalsContact O-N 3.12Å; L237-F241 HydrophobicContact CD1-CE2 4.42Å; L237-F241 HydrophobicContact CD2-CE2 3.75Å; L237-F241 HydrophobicContact CG-CD2 4.04Å; L237-F241 HydrophobicContact CG-CE2 3.59Å; L237-F241 HydrophobicContact CG-CZ 4.48Å; L237-F241 WeakPolarHBondContact O-CD2 3.42Å; L237-F241 PolarHBondContact O-N 3.44Å |
| 238 | E | 95.2 | Very high | 93.8 | Very high | 101 Ų | 101 | 102 Ų | 102 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 172.8 | -178.3 | 61.9 | -156 | 0 | 0 | 111.6 | N234 H240 F241 K242 | N234-E238 WeakPolarHBondContact O-CB 3.49Å; N234-E238 PolarHBondContact O-N 3.22Å; E238-H240 VanDerWaalsContact C-N 3.34Å; E238-H240 PolarHBondContact O-N 3.26Å; E238-F241 PolarHBondContact O-N 3.45Å; E238-K242 PolarHBondContact O-N 3.14Å; E238-K242 WeakPolarHBondContact OE1-CE 3.36Å; E238-K242 IonicContact OE1-NZ 3.32Å |
| 239 | M | 93.7 | Very high | 93.8 | Very high | 125 Ų | 125 | 101.8 Ų | 101.8 | 62% | 0.616 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58 | -43.8 | 172.2 | -89.9 | -105.3 | -66.2 | 0 | 0 | 112.2 | S235 R236 L237 K242 L243 | S235-M239 PolarHBondContact O-N 2.97Å; R236-M239 WeakPolarHBondContact O-CB 3.44Å; R236-M239 PolarHBondContact O-N 3.21Å; L237-M239 VanDerWaalsContact C-N 3.35Å; L237-M239 PolarHBondContact O-N 2.9Å; M239-K242 PolarHBondContact O-N 3.39Å; M239-L243 WeakPolarHBondContact O-CB 3.45Å; M239-L243 WeakPolarHBondContact O-CG 3.42Å; M239-L243 PolarHBondContact O-N 3.06Å |
| 240 | H | 92.4 | Very high | 93.6 | Very high | 99 Ų | 99 | 98.9 Ų | 98.9 | 46% | 0.458 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.5 | -82.1 | -66.3 | 0 | 0 | 0 | 112.8 | R236 L237 E238 K244 | R236-H240 PolarHBondContact NH1-CD2 2.8Å; R236-H240 PolarHBondContact NH1-NE2 3.27Å; R236-H240 PolarHBondContact O-CD2 2.98Å; R236-H240 PolarHBondContact O-N 3.46Å; L237-H240 WeakPolarHBondContact O-CB 3.19Å; L237-H240 PolarHBondContact O-N 3.45Å; L237-H240 VanDerWaalsContact O-N 3.12Å; E238-H240 VanDerWaalsContact C-N 3.34Å; E238-H240 PolarHBondContact O-N 3.26Å; H240-K244 WeakPolarHBondContact O-CB 3.4Å; H240-K244 PolarHBondContact O-N 2.92Å |
| 241 | F | 92.4 | Very high | 93.5 | Very high | 122 Ų | 122 | 98.8 Ų | 98.8 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 175.7 | -78.3 | -62.6 | 0 | 0 | 0 | 111.6 | L237 E238 K244 E245 | L237-F241 HydrophobicContact CD1-CE2 4.42Å; L237-F241 HydrophobicContact CD2-CE2 3.75Å; L237-F241 HydrophobicContact CG-CD2 4.04Å; L237-F241 HydrophobicContact CG-CE2 3.59Å; L237-F241 HydrophobicContact CG-CZ 4.48Å; L237-F241 WeakPolarHBondContact O-CD2 3.42Å; L237-F241 PolarHBondContact O-N 3.44Å; E238-F241 PolarHBondContact O-N 3.45Å; F241-K244 WeakPolarHBondContact O-CB 3.41Å; F241-K244 PolarHBondContact O-N 2.86Å; F241-E245 PolarHBondContact O-N 3.44Å |
| 242 | K | 94.9 | Very high | 93.4 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.4 | -72.4 | -175 | 179.6 | 178.7 | 0 | 112.6 | E238 M239 K244 E245 D246 | E238-K242 PolarHBondContact O-N 3.14Å; E238-K242 WeakPolarHBondContact OE1-CE 3.36Å; E238-K242 IonicContact OE1-NZ 3.32Å; M239-K242 PolarHBondContact O-N 3.39Å; K242-K244 VanDerWaalsContact C-N 3.27Å; K242-K244 PolarHBondContact O-N 3.29Å; K242-E245 PolarHBondContact O-N 2.69Å; K242-D246 WeakPolarHBondContact O-CB 3.18Å; K242-D246 PolarHBondContact O-N 3.42Å |
| 243 | L | 92.7 | Very high | 93.5 | Very high | 106 Ų | 106 | 99.5 Ų | 99.5 | 56% | 0.555 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.2 | -39.1 | 175.3 | -81.2 | 164.8 | 0 | 0 | 0 | 112.1 | M239 Y247 | M239-L243 WeakPolarHBondContact O-CB 3.45Å; M239-L243 WeakPolarHBondContact O-CG 3.42Å; M239-L243 PolarHBondContact O-N 3.06Å; L243-Y247 VanDerWaalsContact O-CB 3.24Å; L243-Y247 WeakPolarHBondContact O-CB 3.44Å; L243-Y247 PolarHBondContact O-N 2.81Å |
| 244 | K | 94.3 | Very high | 93.5 | Very high | 123 Ų | 123 | 100.1 Ų | 100.1 | 54% | 0.535 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.2 | -44.9 | 176.5 | -175.6 | 178.8 | 177.2 | -174.5 | 0 | 111.7 | H240 F241 K242 Y247 E248 | H240-K244 WeakPolarHBondContact O-CB 3.4Å; H240-K244 PolarHBondContact O-N 2.92Å; F241-K244 WeakPolarHBondContact O-CB 3.41Å; F241-K244 PolarHBondContact O-N 2.86Å; K242-K244 VanDerWaalsContact C-N 3.27Å; K242-K244 PolarHBondContact O-N 3.29Å; K244-Y247 PolarHBondContact O-N 2.88Å; K244-E248 WeakPolarHBondContact CE-OE1 3.49Å; K244-E248 WeakPolarHBondContact O-CG 3.43Å; K244-E248 PolarHBondContact O-N 3.37Å |
| 245 | E | 92.8 | Very high | 93.4 | Very high | 100 Ų | 100 | 100.1 Ų | 100.1 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 177.3 | -165.5 | -164.7 | 149.6 | 0 | 0 | 111.4 | F241 K242 E248 K249 | F241-E245 PolarHBondContact O-N 3.44Å; K242-E245 PolarHBondContact O-N 2.69Å; E245-E248 PolarHBondContact O-N 3.26Å; E245-K249 VanDerWaalsContact CD-NZ 3.34Å; E245-K249 WeakPolarHBondContact O-CG 3.5Å; E245-K249 PolarHBondContact O-N 2.72Å; E245-K249 WeakPolarHBondContact OE1-CE 3.41Å; E245-K249 IonicContact OE1-NZ 3.26Å; E245-K249 PolarHBondContact OE1-NZ 2.86Å |
| 246 | D | 93.5 | Very high | 93.3 | Very high | 77 Ų | 77 | 102.6 Ų | 102.6 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 178.1 | -70.3 | -16.6 | 0 | 0 | 0 | 112 | K242 K249 I250 | K242-D246 WeakPolarHBondContact O-CB 3.18Å; K242-D246 PolarHBondContact O-N 3.42Å; D246-K249 PolarHBondContact O-N 3.25Å; D246-K249 IonicContact OD1-NZ 3.83Å; D246-K249 PolarHBondContact OD1-NZ 2.88Å; D246-K249 VanDerWaalsContact OD1-NZ 3.08Å; D246-I250 VanDerWaalsContact O-CG1 3.28Å; D246-I250 WeakPolarHBondContact O-CG1 3.49Å; D246-I250 PolarHBondContact O-N 3.21Å |
| 247 | Y | 92.1 | Very high | 93.3 | Very high | 146 Ų | 146 | 104.5 Ų | 104.5 | 57% | 0.573 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.9 | -43.6 | 171.1 | 178.9 | -99 | 0 | 0 | 0 | 111.8 | L243 K244 I250 Q251 | L243-Y247 VanDerWaalsContact O-CB 3.24Å; L243-Y247 WeakPolarHBondContact O-CB 3.44Å; L243-Y247 PolarHBondContact O-N 2.81Å; K244-Y247 PolarHBondContact O-N 2.88Å; Y247-I250 PolarHBondContact O-N 2.86Å; Y247-Q251 HydrophobicContact CD1-CG 4.27Å; Y247-Q251 HydrophobicContact CE1-CG 3.85Å; Y247-Q251 HydrophobicContact CE2-CG 4.47Å; Y247-Q251 WeakPolarHBondContact O-CG 3.49Å; Y247-Q251 PolarHBondContact O-N 3.19Å |
| 248 | E | 93.5 | Very high | 93.3 | Very high | 92 Ų | 92 | 108.5 Ų | 108.5 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 175.7 | -73.4 | 172.8 | -171.6 | 0 | 0 | 111.8 | K244 E245 Q251 H252 | K244-E248 WeakPolarHBondContact CE-OE1 3.49Å; K244-E248 WeakPolarHBondContact O-CG 3.43Å; K244-E248 PolarHBondContact O-N 3.37Å; E245-E248 PolarHBondContact O-N 3.26Å; E248-Q251 PolarHBondContact O-N 3.31Å; E248-H252 PolarHBondContact O-CD2 2.85Å; E248-H252 PolarHBondContact O-N 3.32Å |
| 249 | K | 95.4 | Very high | 93.1 | Very high | 95 Ų | 95 | 110 Ų | 110 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 172.8 | -71.1 | 169.8 | -167.8 | 152.3 | 0 | 112.1 | E245 D246 H252 L253 | E245-K249 VanDerWaalsContact CD-NZ 3.34Å; E245-K249 WeakPolarHBondContact O-CG 3.5Å; E245-K249 PolarHBondContact O-N 2.72Å; E245-K249 WeakPolarHBondContact OE1-CE 3.41Å; E245-K249 IonicContact OE1-NZ 3.26Å; E245-K249 PolarHBondContact OE1-NZ 2.86Å; D246-K249 PolarHBondContact O-N 3.25Å; D246-K249 IonicContact OD1-NZ 3.83Å; D246-K249 PolarHBondContact OD1-NZ 2.88Å; D246-K249 VanDerWaalsContact OD1-NZ 3.08Å; K249-H252 PolarHBondContact O-N 2.89Å; K249-L253 WeakPolarHBondContact O-CG 3.33Å; K249-L253 PolarHBondContact O-N 3.46Å |
| 250 | I | 93 | Very high | 93 | Very high | 91 Ų | 91 | 109 Ų | 109 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 176.4 | -69.9 | 165.3 | 0 | 0 | 0 | 110.1 | D246 Y247 H252 L253 E254 | D246-I250 VanDerWaalsContact O-CG1 3.28Å; D246-I250 WeakPolarHBondContact O-CG1 3.49Å; D246-I250 PolarHBondContact O-N 3.21Å; Y247-I250 PolarHBondContact O-N 2.86Å; I250-H252 VanDerWaalsContact C-N 3.32Å; I250-H252 PolarHBondContact O-N 3.49Å; I250-L253 PolarHBondContact O-N 3.33Å; I250-E254 HydrophobicContact CG2-CG 4.33Å; I250-E254 WeakPolarHBondContact O-CB 3.46Å; I250-E254 WeakPolarHBondContact O-CG 3.37Å; I250-E254 PolarHBondContact O-N 2.86Å |
| 251 | Q | 91.5 | Very high | 92.9 | Very high | 60 Ų | 60 | 109.6 Ų | 109.6 | 28% | 0.28 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 175.6 | -77.5 | -63.8 | -52 | 0 | 0 | 112.4 | Y247 E248 E254 Q255 | Y247-Q251 HydrophobicContact CD1-CG 4.27Å; Y247-Q251 HydrophobicContact CE1-CG 3.85Å; Y247-Q251 HydrophobicContact CE2-CG 4.47Å; Y247-Q251 WeakPolarHBondContact O-CG 3.49Å; Y247-Q251 PolarHBondContact O-N 3.19Å; E248-Q251 PolarHBondContact O-N 3.31Å; Q251-E254 PolarHBondContact NE2-OE2 3.47Å; Q251-Q255 VanDerWaalsContact O-CG 3.27Å; Q251-Q255 WeakPolarHBondContact O-CG 3.45Å; Q251-Q255 PolarHBondContact O-N 2.78Å |
| 252 | H | 92.6 | Very high | 92.9 | Very high | 117 Ų | 117 | 107.2 Ų | 107.2 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 174.1 | -77 | -57.3 | 0 | 0 | 0 | 112.1 | E248 K249 I250 Q255 E256 | E248-H252 PolarHBondContact O-CD2 2.85Å; E248-H252 PolarHBondContact O-N 3.32Å; K249-H252 PolarHBondContact O-N 2.89Å; I250-H252 VanDerWaalsContact C-N 3.32Å; I250-H252 PolarHBondContact O-N 3.49Å; H252-Q255 PolarHBondContact O-N 3.49Å; H252-E256 WeakPolarHBondContact O-CG 3.46Å; H252-E256 PolarHBondContact O-N 3.47Å |
| 253 | L | 93 | Very high | 92.8 | Very high | 85 Ų | 85 | 105.7 Ų | 105.7 | 45% | 0.445 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 176 | -73.7 | 171 | 0 | 0 | 0 | 112.3 | K249 I250 Q255 E256 Y257 | K249-L253 WeakPolarHBondContact O-CG 3.33Å; K249-L253 PolarHBondContact O-N 3.46Å; I250-L253 PolarHBondContact O-N 3.33Å; L253-Q255 VanDerWaalsContact C-N 3.31Å; L253-Q255 PolarHBondContact O-N 3.48Å; L253-E256 PolarHBondContact O-N 2.96Å; L253-Y257 HydrophobicContact CB-CE2 4.48Å; L253-Y257 WeakPolarHBondContact O-CD2 3.42Å; L253-Y257 PolarHBondContact O-N 3.12Å |
| 254 | E | 92.9 | Very high | 92.7 | Very high | 101 Ų | 101 | 105.9 Ų | 105.9 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 174.6 | -77.4 | 178.3 | 174.3 | 0 | 0 | 111.6 | I250 Q251 K258 | I250-E254 HydrophobicContact CG2-CG 4.33Å; I250-E254 WeakPolarHBondContact O-CB 3.46Å; I250-E254 WeakPolarHBondContact O-CG 3.37Å; I250-E254 PolarHBondContact O-N 2.86Å; Q251-E254 PolarHBondContact NE2-OE2 3.47Å; E254-K258 WeakPolarHBondContact O-CB 3.3Å; E254-K258 PolarHBondContact O-N 3.18Å |
| 255 | Q | 92 | Very high | 92.6 | Very high | 96 Ų | 96 | 105.7 Ų | 105.7 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 175.5 | -71.9 | 175.4 | 18.3 | 0 | 0 | 112.4 | Q251 H252 L253 K259 | Q251-Q255 VanDerWaalsContact O-CG 3.27Å; Q251-Q255 WeakPolarHBondContact O-CG 3.45Å; Q251-Q255 PolarHBondContact O-N 2.78Å; H252-Q255 PolarHBondContact O-N 3.49Å; L253-Q255 VanDerWaalsContact C-N 3.31Å; L253-Q255 PolarHBondContact O-N 3.48Å; Q255-K259 VanDerWaalsContact O-CG 3.28Å; Q255-K259 WeakPolarHBondContact O-CG 3.48Å; Q255-K259 PolarHBondContact O-N 3.32Å |
| 256 | E | 92.1 | Very high | 92.6 | Very high | 121 Ų | 121 | 106.1 Ų | 106.1 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.6 | -50.8 | 173.9 | -74 | -176.1 | 165.5 | 0 | 0 | 111.6 | H252 L253 K258 K259 E260 | H252-E256 WeakPolarHBondContact O-CG 3.46Å; H252-E256 PolarHBondContact O-N 3.47Å; L253-E256 PolarHBondContact O-N 2.96Å; E256-K258 VanDerWaalsContact C-N 3.28Å; E256-K258 PolarHBondContact O-N 3.21Å; E256-K259 WeakPolarHBondContact O-CB 3.46Å; E256-K259 PolarHBondContact O-N 3.03Å; E256-K259 VanDerWaalsContact O-N 3.08Å; E256-E260 PolarHBondContact O-N 3.42Å |
| 257 | Y | 93.6 | Very high | 92.6 | Very high | 148 Ų | 148 | 107.7 Ų | 107.7 | 58% | 0.58 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -38.6 | 175.4 | -74.6 | -53.5 | 0 | 0 | 0 | 112.1 | L253 K259 E260 I261 | L253-Y257 HydrophobicContact CB-CE2 4.48Å; L253-Y257 WeakPolarHBondContact O-CD2 3.42Å; L253-Y257 PolarHBondContact O-N 3.12Å; Y257-K259 PolarHBondContact O-N 3.25Å; Y257-E260 PolarHBondContact O-N 3.31Å; Y257-I261 WeakPolarHBondContact O-CB 3.37Å; Y257-I261 VanDerWaalsContact O-CG1 3.26Å; Y257-I261 WeakPolarHBondContact O-CG1 3.34Å; Y257-I261 PolarHBondContact O-N 3.45Å |
| 258 | K | 95 | Very high | 92.3 | Very high | 159 Ų | 159 | 105.2 Ų | 105.2 | 69% | 0.691 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | 175.4 | -174 | 173.7 | -176.3 | 172.7 | 0 | 112.3 | E254 E256 N262 | E254-K258 WeakPolarHBondContact O-CB 3.3Å; E254-K258 PolarHBondContact O-N 3.18Å; E256-K258 VanDerWaalsContact C-N 3.28Å; E256-K258 PolarHBondContact O-N 3.21Å; K258-N262 WeakPolarHBondContact O-CB 3.49Å; K258-N262 PolarHBondContact O-N 3.01Å; K258-N262 VanDerWaalsContact O-N 3.11Å |
| 259 | K | 92 | Very high | 92.3 | Very high | 132 Ų | 132 | 103.6 Ų | 103.6 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.8 | -44.6 | 173.5 | -74.6 | 169.9 | -174 | 172 | 0 | 110.8 | Q255 E256 Y257 N262 D263 | Q255-K259 VanDerWaalsContact O-CG 3.28Å; Q255-K259 WeakPolarHBondContact O-CG 3.48Å; Q255-K259 PolarHBondContact O-N 3.32Å; E256-K259 WeakPolarHBondContact O-CB 3.46Å; E256-K259 PolarHBondContact O-N 3.03Å; E256-K259 VanDerWaalsContact O-N 3.08Å; Y257-K259 PolarHBondContact O-N 3.25Å; K259-N262 PolarHBondContact O-N 3.01Å; K259-D263 PolarHBondContact O-N 2.87Å |
| 260 | E | 91.7 | Very high | 92.1 | Very high | 105 Ų | 105 | 104.8 Ų | 104.8 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 178.1 | -175.6 | 171.4 | -170.3 | 0 | 0 | 112 | E256 Y257 N262 D263 K264 | E256-E260 PolarHBondContact O-N 3.42Å; Y257-E260 PolarHBondContact O-N 3.31Å; E260-N262 VanDerWaalsContact C-N 3.34Å; E260-N262 PolarHBondContact O-N 3.25Å; E260-D263 PolarHBondContact O-N 3.42Å; E260-K264 HydrophobicContact CG-CG 4.38Å; E260-K264 VanDerWaalsContact O-CG 3.31Å; E260-K264 WeakPolarHBondContact O-CG 3.45Å; E260-K264 PolarHBondContact O-N 2.85Å |
| 261 | I | 90.8 | Very high | 92 | Very high | 111 Ų | 111 | 104.9 Ų | 104.9 | 57% | 0.569 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.2 | -47.6 | 174.6 | -71.9 | 167.1 | 0 | 0 | 0 | 110.5 | Y257 D263 K264 E265 | Y257-I261 WeakPolarHBondContact O-CB 3.37Å; Y257-I261 VanDerWaalsContact O-CG1 3.26Å; Y257-I261 WeakPolarHBondContact O-CG1 3.34Å; Y257-I261 PolarHBondContact O-N 3.45Å; I261-D263 VanDerWaalsContact C-N 3.31Å; I261-D263 PolarHBondContact O-N 3.32Å; I261-K264 PolarHBondContact O-N 3.43Å; I261-E265 VanDerWaalsContact O-CB 3.27Å; I261-E265 WeakPolarHBondContact O-CB 3.42Å; I261-E265 PolarHBondContact O-N 3.26Å |
| 262 | N | 91.8 | Very high | 92.1 | Very high | 73 Ų | 73 | 107.1 Ų | 107.1 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 178.3 | -179.6 | 42.1 | 0 | 0 | 0 | 112.3 | K258 K259 E260 K266 | K258-N262 WeakPolarHBondContact O-CB 3.49Å; K258-N262 PolarHBondContact O-N 3.01Å; K258-N262 VanDerWaalsContact O-N 3.11Å; K259-N262 PolarHBondContact O-N 3.01Å; E260-N262 VanDerWaalsContact C-N 3.34Å; E260-N262 PolarHBondContact O-N 3.25Å; N262-K266 WeakPolarHBondContact ND2-CE 3.48Å; N262-K266 PolarHBondContact ND2-NZ 3.31Å; N262-K266 VanDerWaalsContact ND2-NZ 3.18Å; N262-K266 VanDerWaalsContact O-CG 3.26Å; N262-K266 WeakPolarHBondContact O-CG 3.34Å; N262-K266 PolarHBondContact O-N 3.47Å; N262-K266 WeakPolarHBondContact OD1-CE 3.46Å |
| 263 | D | 92.6 | Very high | 92.1 | Very high | 81 Ų | 81 | 105.8 Ų | 105.8 | 43% | 0.433 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.8 | -36.7 | 177.1 | -71.2 | -17.6 | 0 | 0 | 0 | 112.2 | K259 E260 I261 K266 Q267 | K259-D263 PolarHBondContact O-N 2.87Å; E260-D263 PolarHBondContact O-N 3.42Å; I261-D263 VanDerWaalsContact C-N 3.31Å; I261-D263 PolarHBondContact O-N 3.32Å; D263-K266 PolarHBondContact O-N 3.23Å; D263-K266 IonicContact OD1-NZ 3.03Å; D263-K266 PolarHBondContact OD1-NZ 3.46Å; D263-Q267 WeakPolarHBondContact O-CG 3.4Å; D263-Q267 PolarHBondContact O-N 3.28Å |
| 264 | K | 91.7 | Very high | 92 | Very high | 110 Ų | 110 | 106.7 Ų | 106.7 | 48% | 0.478 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 170.9 | -67.1 | -66.3 | -179.6 | -179.8 | 0 | 111.8 | E260 I261 Q267 V268 | E260-K264 HydrophobicContact CG-CG 4.38Å; E260-K264 VanDerWaalsContact O-CG 3.31Å; E260-K264 WeakPolarHBondContact O-CG 3.45Å; E260-K264 PolarHBondContact O-N 2.85Å; I261-K264 PolarHBondContact O-N 3.43Å; K264-Q267 WeakPolarHBondContact O-CB 3.32Å; K264-Q267 PolarHBondContact O-N 3Å; K264-Q267 VanDerWaalsContact O-N 3.14Å; K264-V268 WeakPolarHBondContact O-CG2 3.47Å; K264-V268 PolarHBondContact O-N 2.8Å |
| 265 | E | 91.9 | Very high | 91.8 | Very high | 120 Ų | 120 | 106.6 Ų | 106.6 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -41.2 | 175.9 | -176 | 175.1 | -169.9 | 0 | 0 | 111.5 | I261 V268 S269 | I261-E265 VanDerWaalsContact O-CB 3.27Å; I261-E265 WeakPolarHBondContact O-CB 3.42Å; I261-E265 PolarHBondContact O-N 3.26Å; E265-V268 PolarHBondContact O-N 2.87Å; E265-S269 WeakPolarHBondContact O-CB 3.38Å; E265-S269 PolarHBondContact O-N 3.19Å; E265-S269 PolarHBondContact O-OG 2.88Å |
| 266 | K | 91.8 | Very high | 91.8 | Very high | 109 Ų | 109 | 105.1 Ų | 105.1 | 47% | 0.474 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 170.4 | -70.6 | 171.1 | -153.6 | 152.1 | 0 | 112.3 | N262 D263 S269 L270 | N262-K266 WeakPolarHBondContact ND2-CE 3.48Å; N262-K266 PolarHBondContact ND2-NZ 3.31Å; N262-K266 VanDerWaalsContact ND2-NZ 3.18Å; N262-K266 VanDerWaalsContact O-CG 3.26Å; N262-K266 WeakPolarHBondContact O-CG 3.34Å; N262-K266 PolarHBondContact O-N 3.47Å; N262-K266 WeakPolarHBondContact OD1-CE 3.46Å; D263-K266 PolarHBondContact O-N 3.23Å; D263-K266 IonicContact OD1-NZ 3.03Å; D263-K266 PolarHBondContact OD1-NZ 3.46Å; K266-S269 WeakPolarHBondContact O-CB 3.36Å; K266-S269 PolarHBondContact O-N 2.91Å; K266-L270 PolarHBondContact O-N 3.49Å |
| 267 | Q | 93 | Very high | 91.8 | Very high | 109 Ų | 109 | 104 Ų | 104 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 174.6 | -76.8 | 179.2 | 24.7 | 0 | 0 | 111.6 | D263 K264 S269 L270 L271 | D263-Q267 WeakPolarHBondContact O-CG 3.4Å; D263-Q267 PolarHBondContact O-N 3.28Å; K264-Q267 WeakPolarHBondContact O-CB 3.32Å; K264-Q267 PolarHBondContact O-N 3Å; K264-Q267 VanDerWaalsContact O-N 3.14Å; Q267-S269 VanDerWaalsContact C-N 3.29Å; Q267-S269 PolarHBondContact O-N 2.9Å; Q267-L270 PolarHBondContact O-N 2.7Å; Q267-L271 WeakPolarHBondContact O-CG 3.39Å; Q267-L271 PolarHBondContact O-N 3.36Å |
| 268 | V | 86.4 | Confident | 91.7 | Very high | 94 Ų | 94 | 103 Ų | 103 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -41 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | K264 E265 L270 L271 L272 | K264-V268 WeakPolarHBondContact O-CG2 3.47Å; K264-V268 PolarHBondContact O-N 2.8Å; E265-V268 PolarHBondContact O-N 2.87Å; V268-L270 PolarHBondContact O-N 3.15Å; V268-L271 PolarHBondContact O-N 3.4Å; V268-L272 WeakPolarHBondContact O-CB 3.28Å; V268-L272 PolarHBondContact O-N 3.2Å |
| 269 | S | 93.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 99.2 Ų | 99.2 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 176 | -57.9 | 0 | 0 | 0 | 0 | 112 | E265 K266 Q267 L272 I273 | E265-S269 WeakPolarHBondContact O-CB 3.38Å; E265-S269 PolarHBondContact O-N 3.19Å; E265-S269 PolarHBondContact O-OG 2.88Å; K266-S269 WeakPolarHBondContact O-CB 3.36Å; K266-S269 PolarHBondContact O-N 2.91Å; Q267-S269 VanDerWaalsContact C-N 3.29Å; Q267-S269 PolarHBondContact O-N 2.9Å; S269-L272 PolarHBondContact O-N 3.39Å; S269-I273 VanDerWaalsContact O-CG1 3.32Å; S269-I273 WeakPolarHBondContact O-CG1 3.34Å; S269-I273 PolarHBondContact O-N 2.71Å |
| 270 | L | 91.9 | Very high | 91.6 | Very high | 120 Ų | 120 | 97 Ų | 97 | 63% | 0.628 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 175.8 | -170.8 | 72.3 | 0 | 0 | 0 | 111.5 | K266 Q267 V268 L272 I273 Q274 | K266-L270 PolarHBondContact O-N 3.49Å; Q267-L270 PolarHBondContact O-N 2.7Å; V268-L270 PolarHBondContact O-N 3.15Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-I273 PolarHBondContact O-N 3.22Å; L270-Q274 WeakPolarHBondContact O-CB 3.36Å; L270-Q274 PolarHBondContact O-N 2.77Å |
| 271 | L | 90 | Very high | 91.7 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 174.9 | -72 | 173.4 | 0 | 0 | 0 | 111.6 | Q267 V268 Q274 I275 | Q267-L271 WeakPolarHBondContact O-CG 3.39Å; Q267-L271 PolarHBondContact O-N 3.36Å; V268-L271 PolarHBondContact O-N 3.4Å; L271-Q274 WeakPolarHBondContact O-CB 3.32Å; L271-Q274 PolarHBondContact O-N 3.33Å; L271-I275 WeakPolarHBondContact O-CB 3.33Å; L271-I275 VanDerWaalsContact O-CG1 3.26Å; L271-I275 WeakPolarHBondContact O-CG1 3.4Å; L271-I275 PolarHBondContact O-N 3.18Å |
| 272 | L | 94 | Very high | 91.8 | Very high | 106 Ų | 106 | 97.1 Ų | 97.1 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.1 | -45.3 | 176.3 | -174.3 | 64 | 0 | 0 | 0 | 111 | V268 S269 L270 Q274 I275 T276 | V268-L272 WeakPolarHBondContact O-CB 3.28Å; V268-L272 PolarHBondContact O-N 3.2Å; S269-L272 PolarHBondContact O-N 3.39Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L272-Q274 VanDerWaalsContact C-N 3.32Å; L272-Q274 PolarHBondContact O-N 3.09Å; L272-I275 PolarHBondContact O-N 3.29Å; L272-T276 WeakPolarHBondContact O-CG2 3.27Å; L272-T276 PolarHBondContact O-N 3.26Å; L272-T276 PolarHBondContact O-OG1 3.43Å |
| 273 | I | 92 | Very high | 91.8 | Very high | 90 Ų | 90 | 98.9 Ų | 98.9 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 173 | -67.1 | 164.2 | 0 | 0 | 0 | 109.9 | S269 L270 I275 T276 E277 | S269-I273 VanDerWaalsContact O-CG1 3.32Å; S269-I273 WeakPolarHBondContact O-CG1 3.34Å; S269-I273 PolarHBondContact O-N 2.71Å; L270-I273 PolarHBondContact O-N 3.22Å; I273-I275 VanDerWaalsContact C-N 3.33Å; I273-I275 PolarHBondContact O-N 3.04Å; I273-T276 WeakPolarHBondContact CA-OG1 3.48Å; I273-T276 PolarHBondContact O-N 2.92Å; I273-T276 VanDerWaalsContact O-N 3.15Å; I273-T276 PolarHBondContact O-OG1 3.47Å; I273-E277 HydrophobicContact CG2-CG 4.48Å; I273-E277 PolarHBondContact O-N 2.74Å |
| 274 | Q | 91.8 | Very high | 91.8 | Very high | 103 Ų | 103 | 99.9 Ų | 99.9 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 177.9 | -168.3 | -179.2 | 16.8 | 0 | 0 | 112.3 | L270 L271 L272 E277 K278 | L270-Q274 WeakPolarHBondContact O-CB 3.36Å; L270-Q274 PolarHBondContact O-N 2.77Å; L271-Q274 WeakPolarHBondContact O-CB 3.32Å; L271-Q274 PolarHBondContact O-N 3.33Å; L272-Q274 VanDerWaalsContact C-N 3.32Å; L272-Q274 PolarHBondContact O-N 3.09Å; Q274-E277 PolarHBondContact O-N 3.36Å; Q274-K278 WeakPolarHBondContact O-CB 3.37Å; Q274-K278 WeakPolarHBondContact O-CG 3.28Å; Q274-K278 PolarHBondContact O-N 2.82Å |
| 275 | I | 89.5 | Confident | 91.8 | Very high | 100 Ų | 100 | 99.8 Ų | 99.8 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 174.3 | -71.7 | 165.1 | 0 | 0 | 0 | 110 | L271 L272 I273 E277 K278 E279 | L271-I275 WeakPolarHBondContact O-CB 3.33Å; L271-I275 VanDerWaalsContact O-CG1 3.26Å; L271-I275 WeakPolarHBondContact O-CG1 3.4Å; L271-I275 PolarHBondContact O-N 3.18Å; L272-I275 PolarHBondContact O-N 3.29Å; I273-I275 VanDerWaalsContact C-N 3.33Å; I273-I275 PolarHBondContact O-N 3.04Å; I275-E277 PolarHBondContact O-N 3.42Å; I275-K278 PolarHBondContact O-N 3.26Å; I275-E279 WeakPolarHBondContact O-CB 3.48Å; I275-E279 PolarHBondContact O-N 3.18Å |
| 276 | T | 91.7 | Very high | 91.9 | Very high | 65 Ų | 65 | 97.9 Ų | 97.9 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 178.5 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | L272 I273 K278 E279 N280 | L272-T276 WeakPolarHBondContact O-CG2 3.27Å; L272-T276 PolarHBondContact O-N 3.26Å; L272-T276 PolarHBondContact O-OG1 3.43Å; I273-T276 WeakPolarHBondContact CA-OG1 3.48Å; I273-T276 PolarHBondContact O-N 2.92Å; I273-T276 VanDerWaalsContact O-N 3.15Å; I273-T276 PolarHBondContact O-OG1 3.47Å; T276-K278 PolarHBondContact O-N 3.46Å; T276-E279 PolarHBondContact O-N 2.88Å; T276-N280 VanDerWaalsContact O-CG 3.25Å; T276-N280 PolarHBondContact O-N 3.19Å; T276-N280 PolarHBondContact O-ND2 3.44Å |
| 277 | E | 90.6 | Very high | 92 | Very high | 97 Ų | 97 | 99.5 Ų | 99.5 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 173.5 | -75.6 | -176.5 | -168.9 | 0 | 0 | 112.1 | I273 Q274 I275 E279 K281 | I273-E277 HydrophobicContact CG2-CG 4.48Å; I273-E277 PolarHBondContact O-N 2.74Å; Q274-E277 PolarHBondContact O-N 3.36Å; I275-E277 PolarHBondContact O-N 3.42Å; E277-E279 VanDerWaalsContact C-N 3.34Å; E277-K281 VanDerWaalsContact O-CG 3.32Å; E277-K281 WeakPolarHBondContact O-CG 3.41Å; E277-K281 PolarHBondContact O-N 3.02Å |
| 278 | K | 92.5 | Very high | 91.9 | Very high | 127 Ų | 127 | 98.9 Ų | 98.9 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.6 | -37.4 | 177.1 | -69.4 | -71.6 | -179.6 | 175.4 | 0 | 111.1 | Q274 I275 T276 K281 M282 | Q274-K278 WeakPolarHBondContact O-CB 3.37Å; Q274-K278 WeakPolarHBondContact O-CG 3.28Å; Q274-K278 PolarHBondContact O-N 2.82Å; I275-K278 PolarHBondContact O-N 3.26Å; T276-K278 PolarHBondContact O-N 3.46Å; K278-K281 PolarHBondContact O-N 3.43Å; K278-M282 WeakPolarHBondContact O-CB 3.33Å; K278-M282 PolarHBondContact O-N 3.37Å |
| 279 | E | 92.9 | Very high | 92.2 | Very high | 80 Ų | 80 | 99.9 Ų | 99.9 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 175.8 | -173.2 | 169.2 | 157.5 | 0 | 0 | 112.1 | I275 T276 E277 M282 K283 | I275-E279 WeakPolarHBondContact O-CB 3.48Å; I275-E279 PolarHBondContact O-N 3.18Å; T276-E279 PolarHBondContact O-N 2.88Å; E277-E279 VanDerWaalsContact C-N 3.34Å; E279-M282 HydrophobicContact CG-CE 4.13Å; E279-M282 CarbonylContact O-C 3.57Å; E279-M282 WeakPolarHBondContact O-CB 3.35Å; E279-M282 PolarHBondContact O-N 3.15Å; E279-M282 VanDerWaalsContact O-N 3.17Å; E279-K283 HydrophobicContact CG-CD 4.44Å; E279-K283 WeakPolarHBondContact O-CG 3.41Å; E279-K283 PolarHBondContact O-N 2.82Å; E279-K283 VanDerWaalsContact OE1-CE 3.29Å; E279-K283 WeakPolarHBondContact OE1-CE 3.37Å; E279-K283 IonicContact OE1-NZ 3.23Å; E279-K283 PolarHBondContact OE1-NZ 2.86Å |
| 280 | N | 92.4 | Very high | 92.3 | Very high | 86 Ų | 86 | 101.4 Ų | 101.4 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 173.6 | -69.7 | -19.6 | 0 | 0 | 0 | 111.3 | T276 M282 K283 D284 | T276-N280 VanDerWaalsContact O-CG 3.25Å; T276-N280 PolarHBondContact O-N 3.19Å; T276-N280 PolarHBondContact O-ND2 3.44Å; N280-M282 VanDerWaalsContact C-N 3.27Å; N280-M282 PolarHBondContact O-N 3.23Å; N280-K283 WeakPolarHBondContact O-CB 3.45Å; N280-K283 PolarHBondContact O-N 3.5Å; N280-K283 VanDerWaalsContact O-N 3.13Å; N280-D284 VanDerWaalsContact O-CG 3.3Å; N280-D284 PolarHBondContact O-N 3.02Å |
| 281 | K | 93.4 | Very high | 92.3 | Very high | 107 Ų | 107 | 99.3 Ų | 99.3 | 47% | 0.465 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -38.3 | 173.3 | -71.7 | 165.8 | -176.8 | 162.4 | 0 | 112.2 | E277 K278 D284 L285 | E277-K281 VanDerWaalsContact O-CG 3.32Å; E277-K281 WeakPolarHBondContact O-CG 3.41Å; E277-K281 PolarHBondContact O-N 3.02Å; K278-K281 PolarHBondContact O-N 3.43Å; K281-D284 PolarHBondContact O-N 2.72Å; K281-L285 WeakPolarHBondContact O-CB 3.3Å; K281-L285 VanDerWaalsContact O-CG 3.3Å; K281-L285 WeakPolarHBondContact O-CG 3.32Å; K281-L285 PolarHBondContact O-N 3.44Å |
| 282 | M | 92 | Very high | 92.3 | Very high | 111 Ų | 111 | 97.4 Ų | 97.4 | 55% | 0.547 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 176.5 | -177.6 | 171.9 | 57.9 | 0 | 0 | 111.7 | K278 E279 N280 L285 T286 | K278-M282 WeakPolarHBondContact O-CB 3.33Å; K278-M282 PolarHBondContact O-N 3.37Å; E279-M282 HydrophobicContact CG-CE 4.13Å; E279-M282 CarbonylContact O-C 3.57Å; E279-M282 WeakPolarHBondContact O-CB 3.35Å; E279-M282 PolarHBondContact O-N 3.15Å; E279-M282 VanDerWaalsContact O-N 3.17Å; N280-M282 VanDerWaalsContact C-N 3.27Å; N280-M282 PolarHBondContact O-N 3.23Å; M282-L285 PolarHBondContact O-N 2.93Å; M282-T286 WeakPolarHBondContact O-CB 3.46Å; M282-T286 PolarHBondContact O-N 3.14Å; M282-T286 PolarHBondContact O-OG1 3.24Å |
| 283 | K | 93.7 | Very high | 92.3 | Very high | 110 Ų | 110 | 99.7 Ų | 99.7 | 48% | 0.478 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 172.7 | -72.9 | 170.3 | -177.7 | 164.7 | 0 | 111.1 | E279 N280 L285 T286 F287 | E279-K283 HydrophobicContact CG-CD 4.44Å; E279-K283 WeakPolarHBondContact O-CG 3.41Å; E279-K283 PolarHBondContact O-N 2.82Å; E279-K283 VanDerWaalsContact OE1-CE 3.29Å; E279-K283 WeakPolarHBondContact OE1-CE 3.37Å; E279-K283 IonicContact OE1-NZ 3.23Å; E279-K283 PolarHBondContact OE1-NZ 2.86Å; N280-K283 WeakPolarHBondContact O-CB 3.45Å; N280-K283 PolarHBondContact O-N 3.5Å; N280-K283 VanDerWaalsContact O-N 3.13Å; K283-L285 PolarHBondContact O-N 2.88Å; K283-T286 WeakPolarHBondContact O-CB 3.45Å; K283-T286 PolarHBondContact O-N 3.44Å; K283-F287 WeakPolarHBondContact O-CB 3.34Å; K283-F287 PolarHBondContact O-N 3.43Å |
| 284 | D | 92.5 | Very high | 92.3 | Very high | 102 Ų | 102 | 99 Ų | 99 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.3 | -64.2 | -24 | 0 | 0 | 0 | 111.7 | N280 K281 T286 F287 L288 | N280-D284 VanDerWaalsContact O-CG 3.3Å; N280-D284 PolarHBondContact O-N 3.02Å; K281-D284 PolarHBondContact O-N 2.72Å; D284-T286 VanDerWaalsContact C-N 3.32Å; D284-T286 PolarHBondContact O-N 2.72Å; D284-F287 PolarHBondContact O-N 2.89Å; D284-L288 WeakPolarHBondContact O-CG 3.14Å; D284-L288 PolarHBondContact O-N 3.25Å |
| 285 | L | 91 | Very high | 92.4 | Very high | 108 Ų | 108 | 99.2 Ų | 99.2 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.3 | -38.7 | 174.3 | -74.1 | 173.4 | 0 | 0 | 0 | 112 | K281 M282 K283 F287 L288 L289 | K281-L285 WeakPolarHBondContact O-CB 3.3Å; K281-L285 VanDerWaalsContact O-CG 3.3Å; K281-L285 WeakPolarHBondContact O-CG 3.32Å; K281-L285 PolarHBondContact O-N 3.44Å; M282-L285 PolarHBondContact O-N 2.93Å; K283-L285 PolarHBondContact O-N 2.88Å; L285-F287 VanDerWaalsContact C-N 3.35Å; L285-L288 PolarHBondContact O-N 3.29Å; L285-L289 WeakPolarHBondContact O-CB 3.38Å; L285-L289 VanDerWaalsContact O-CG 3.25Å; L285-L289 WeakPolarHBondContact O-CG 3.35Å; L285-L289 PolarHBondContact O-N 3.34Å |
| 286 | T | 94.5 | Very high | 92.5 | Very high | 79 Ų | 79 | 98.5 Ų | 98.5 | 49% | 0.485 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 175.5 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | M282 K283 D284 L289 E290 | M282-T286 WeakPolarHBondContact O-CB 3.46Å; M282-T286 PolarHBondContact O-N 3.14Å; M282-T286 PolarHBondContact O-OG1 3.24Å; K283-T286 WeakPolarHBondContact O-CB 3.45Å; K283-T286 PolarHBondContact O-N 3.44Å; D284-T286 VanDerWaalsContact C-N 3.32Å; D284-T286 PolarHBondContact O-N 2.72Å; T286-L289 PolarHBondContact O-N 3.32Å; T286-E290 PolarHBondContact O-N 3.36Å |
| 287 | F | 92.4 | Very high | 92.5 | Very high | 144 Ų | 144 | 98.8 Ų | 98.8 | 63% | 0.632 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.9 | -45.1 | 176.3 | -177.1 | -94.7 | 0 | 0 | 0 | 111.8 | K283 D284 L285 L289 E290 E291 | K283-F287 WeakPolarHBondContact O-CB 3.34Å; K283-F287 PolarHBondContact O-N 3.43Å; D284-F287 PolarHBondContact O-N 2.89Å; L285-F287 VanDerWaalsContact C-N 3.35Å; F287-L289 VanDerWaalsContact C-N 3.3Å; F287-L289 PolarHBondContact O-N 3.37Å; F287-E290 PolarHBondContact O-N 3.45Å; F287-E291 WeakPolarHBondContact O-CB 3.26Å; F287-E291 PolarHBondContact O-N 3.32Å |
| 288 | L | 92.7 | Very high | 92.6 | Very high | 96 Ų | 96 | 100.4 Ų | 100.4 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 174.9 | -73.3 | 169.2 | 0 | 0 | 0 | 112.1 | D284 L285 S292 | D284-L288 WeakPolarHBondContact O-CG 3.14Å; D284-L288 PolarHBondContact O-N 3.25Å; L285-L288 PolarHBondContact O-N 3.29Å; L288-S292 VanDerWaalsContact O-CB 3.3Å; L288-S292 WeakPolarHBondContact O-CB 3.38Å; L288-S292 PolarHBondContact O-N 3.29Å; L288-S292 PolarHBondContact O-OG 3.49Å |
| 289 | L | 92.6 | Very high | 92.5 | Very high | 115 Ų | 115 | 99.5 Ų | 99.5 | 60% | 0.602 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.4 | -42.2 | 174.6 | -77.5 | 170.2 | 0 | 0 | 0 | 111.5 | L285 T286 F287 S292 R293 | L285-L289 WeakPolarHBondContact O-CB 3.38Å; L285-L289 VanDerWaalsContact O-CG 3.25Å; L285-L289 WeakPolarHBondContact O-CG 3.35Å; L285-L289 PolarHBondContact O-N 3.34Å; T286-L289 PolarHBondContact O-N 3.32Å; F287-L289 VanDerWaalsContact C-N 3.3Å; F287-L289 PolarHBondContact O-N 3.37Å; L289-S292 WeakPolarHBondContact CA-OG 3.46Å; L289-S292 PolarHBondContact O-N 3.34Å; L289-S292 PolarHBondContact O-OG 2.67Å; L289-R293 WeakPolarHBondContact O-CB 3.38Å; L289-R293 PolarHBondContact O-N 3.29Å |
| 290 | E | 93.4 | Very high | 92.4 | Very high | 90 Ų | 90 | 100.1 Ų | 100.1 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 176.1 | -160.5 | 62.5 | -149.4 | 0 | 0 | 111.2 | T286 F287 S292 R293 D294 | T286-E290 PolarHBondContact O-N 3.36Å; F287-E290 PolarHBondContact O-N 3.45Å; E290-S292 VanDerWaalsContact C-N 3.28Å; E290-S292 PolarHBondContact O-N 2.95Å; E290-R293 CarbonylContact O-C 3.52Å; E290-R293 WeakPolarHBondContact O-CA 3.23Å; E290-R293 WeakPolarHBondContact O-CB 3.33Å; E290-R293 PolarHBondContact O-N 3.35Å; E290-D294 PolarHBondContact O-N 3.15Å |
| 291 | E | 92 | Very high | 92.3 | Very high | 75 Ų | 75 | 102.4 Ų | 102.4 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -40.2 | 174 | -169.1 | -165.1 | 171 | 0 | 0 | 111.3 | F287 R293 D294 K295 | F287-E291 WeakPolarHBondContact O-CB 3.26Å; F287-E291 PolarHBondContact O-N 3.32Å; E291-R293 VanDerWaalsContact C-N 3.34Å; E291-D294 PolarHBondContact O-N 3.3Å; E291-K295 VanDerWaalsContact CD-NZ 3.29Å; E291-K295 VanDerWaalsContact O-CG 3.31Å; E291-K295 WeakPolarHBondContact O-CG 3.24Å; E291-K295 PolarHBondContact O-N 2.91Å; E291-K295 WeakPolarHBondContact OE1-CE 3.42Å; E291-K295 IonicContact OE1-NZ 3.56Å; E291-K295 PolarHBondContact OE1-NZ 3.42Å; E291-K295 IonicContact OE2-NZ 2.8Å |
| 292 | S | 90.7 | Very high | 92.2 | Very high | 55 Ų | 55 | 104.2 Ų | 104.2 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -37 | 175.1 | 79.5 | 0 | 0 | 0 | 0 | 112.1 | L288 L289 E290 K295 V296 | L288-S292 VanDerWaalsContact O-CB 3.3Å; L288-S292 WeakPolarHBondContact O-CB 3.38Å; L288-S292 PolarHBondContact O-N 3.29Å; L288-S292 PolarHBondContact O-OG 3.49Å; L289-S292 WeakPolarHBondContact CA-OG 3.46Å; L289-S292 PolarHBondContact O-N 3.34Å; L289-S292 PolarHBondContact O-OG 2.67Å; E290-S292 VanDerWaalsContact C-N 3.28Å; E290-S292 PolarHBondContact O-N 2.95Å; S292-K295 PolarHBondContact O-N 3.41Å; S292-V296 VanDerWaalsContact O-CG2 3.26Å; S292-V296 WeakPolarHBondContact O-CG2 3.24Å; S292-V296 PolarHBondContact O-N 3.01Å |
| 293 | R | 93.3 | Very high | 92.1 | Very high | 153 Ų | 153 | 103.1 Ų | 103.1 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.2 | -44 | 175.9 | 177.9 | 176 | -67.5 | -161.8 | -1 | 110.8 | L289 E290 E291 V296 N297 | L289-R293 WeakPolarHBondContact O-CB 3.38Å; L289-R293 PolarHBondContact O-N 3.29Å; E290-R293 CarbonylContact O-C 3.52Å; E290-R293 WeakPolarHBondContact O-CA 3.23Å; E290-R293 WeakPolarHBondContact O-CB 3.33Å; E290-R293 PolarHBondContact O-N 3.35Å; E291-R293 VanDerWaalsContact C-N 3.34Å; R293-V296 WeakPolarHBondContact O-CB 3.18Å; R293-V296 PolarHBondContact O-N 3.44Å; R293-N297 PolarHBondContact O-N 3.5Å; R293-N297 PolarHBondContact O-ND2 3.48Å; R293-N297 PolarHBondContact O-OD1 3.49Å |
| 294 | D | 93 | Very high | 92 | Very high | 77 Ų | 77 | 103.3 Ų | 103.3 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.5 | -74.4 | -20.4 | 0 | 0 | 0 | 112.1 | E290 E291 V296 N297 Q298 | E290-D294 PolarHBondContact O-N 3.15Å; E291-D294 PolarHBondContact O-N 3.3Å; D294-V296 VanDerWaalsContact C-N 3.32Å; D294-V296 PolarHBondContact O-N 3.05Å; D294-N297 PolarHBondContact O-N 3.24Å; D294-Q298 WeakPolarHBondContact O-CG 3.4Å; D294-Q298 PolarHBondContact O-N 3.44Å |
| 295 | K | 93.9 | Very high | 92 | Very high | 106 Ų | 106 | 103.6 Ų | 103.6 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 173.5 | -74.3 | 170.5 | -174.3 | 165.9 | 0 | 111.7 | E291 S292 Q298 L299 | E291-K295 VanDerWaalsContact CD-NZ 3.29Å; E291-K295 VanDerWaalsContact O-CG 3.31Å; E291-K295 WeakPolarHBondContact O-CG 3.24Å; E291-K295 PolarHBondContact O-N 2.91Å; E291-K295 WeakPolarHBondContact OE1-CE 3.42Å; E291-K295 IonicContact OE1-NZ 3.56Å; E291-K295 PolarHBondContact OE1-NZ 3.42Å; E291-K295 IonicContact OE2-NZ 2.8Å; S292-K295 PolarHBondContact O-N 3.41Å; K295-Q298 PolarHBondContact O-N 2.75Å; K295-L299 WeakPolarHBondContact O-CB 3.33Å; K295-L299 VanDerWaalsContact O-CG 3.29Å; K295-L299 WeakPolarHBondContact O-CG 3.45Å; K295-L299 PolarHBondContact O-N 2.97Å |
| 296 | V | 91.5 | Very high | 91.9 | Very high | 85 Ų | 85 | 104.9 Ų | 104.9 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 174.7 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | S292 R293 D294 Q298 L299 E300 | S292-V296 VanDerWaalsContact O-CG2 3.26Å; S292-V296 WeakPolarHBondContact O-CG2 3.24Å; S292-V296 PolarHBondContact O-N 3.01Å; R293-V296 WeakPolarHBondContact O-CB 3.18Å; R293-V296 PolarHBondContact O-N 3.44Å; D294-V296 VanDerWaalsContact C-N 3.32Å; D294-V296 PolarHBondContact O-N 3.05Å; V296-Q298 PolarHBondContact O-N 3.24Å; V296-L299 PolarHBondContact O-N 3.33Å; V296-E300 WeakPolarHBondContact O-CB 3.45Å; V296-E300 PolarHBondContact O-N 2.79Å |
| 297 | N | 91.7 | Very high | 91.6 | Very high | 72 Ų | 72 | 104.4 Ų | 104.4 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 176.9 | -67.1 | -22.7 | 0 | 0 | 0 | 111.5 | R293 D294 L299 E300 E301 | R293-N297 PolarHBondContact O-N 3.5Å; R293-N297 PolarHBondContact O-ND2 3.48Å; R293-N297 PolarHBondContact O-OD1 3.49Å; D294-N297 PolarHBondContact O-N 3.24Å; N297-L299 VanDerWaalsContact C-N 3.34Å; N297-L299 PolarHBondContact O-N 2.88Å; N297-E300 PolarHBondContact O-N 3.23Å; N297-E301 WeakPolarHBondContact O-CG 3.27Å; N297-E301 PolarHBondContact O-N 3.01Å |
| 298 | Q | 93.2 | Very high | 91.5 | Very high | 130 Ų | 130 | 102.7 Ų | 102.7 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 175.2 | -72.5 | 175.9 | 24.5 | 0 | 0 | 112.2 | D294 K295 V296 K302 | D294-Q298 WeakPolarHBondContact O-CG 3.4Å; D294-Q298 PolarHBondContact O-N 3.44Å; K295-Q298 PolarHBondContact O-N 2.75Å; V296-Q298 PolarHBondContact O-N 3.24Å; Q298-K302 VanDerWaalsContact O-CB 3.3Å; Q298-K302 WeakPolarHBondContact O-CB 3.11Å; Q298-K302 PolarHBondContact O-N 2.92Å |
| 299 | L | 90.5 | Very high | 91.4 | Very high | 109 Ų | 109 | 102.3 Ų | 102.3 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -38.9 | 175 | -74.4 | 173.3 | 0 | 0 | 0 | 111.5 | K295 V296 N297 K302 T303 | K295-L299 WeakPolarHBondContact O-CB 3.33Å; K295-L299 VanDerWaalsContact O-CG 3.29Å; K295-L299 WeakPolarHBondContact O-CG 3.45Å; K295-L299 PolarHBondContact O-N 2.97Å; V296-L299 PolarHBondContact O-N 3.33Å; N297-L299 VanDerWaalsContact C-N 3.34Å; N297-L299 PolarHBondContact O-N 2.88Å; L299-K302 PolarHBondContact O-N 3Å; L299-T303 WeakPolarHBondContact O-CB 3.35Å; L299-T303 PolarHBondContact O-N 3.25Å; L299-T303 PolarHBondContact O-OG1 2.88Å |
| 300 | E | 90.8 | Very high | 91.3 | Very high | 92 Ų | 92 | 102.2 Ų | 102.2 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 176.6 | -162.8 | -172.2 | 146.6 | 0 | 0 | 111.3 | V296 N297 T303 K304 | V296-E300 WeakPolarHBondContact O-CB 3.45Å; V296-E300 PolarHBondContact O-N 2.79Å; N297-E300 PolarHBondContact O-N 3.23Å; E300-T303 WeakPolarHBondContact O-CB 3.44Å; E300-T303 PolarHBondContact O-N 3.5Å; E300-K304 WeakPolarHBondContact O-CG 3.39Å; E300-K304 PolarHBondContact O-N 2.78Å; E300-K304 VanDerWaalsContact OE1-CE 3.3Å; E300-K304 WeakPolarHBondContact OE1-CE 3.32Å; E300-K304 IonicContact OE1-NZ 2.62Å; E300-K304 PolarHBondContact OE1-NZ 3.39Å |
| 301 | E | 90.2 | Very high | 91.2 | Very high | 135 Ų | 135 | 103.8 Ų | 103.8 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 173.7 | -75.7 | -173 | 168.4 | 0 | 0 | 112.1 | N297 T303 K304 L305 | N297-E301 WeakPolarHBondContact O-CG 3.27Å; N297-E301 PolarHBondContact O-N 3.01Å; E301-T303 VanDerWaalsContact C-N 3.25Å; E301-T303 PolarHBondContact O-N 3.31Å; E301-K304 WeakPolarHBondContact O-CB 3.44Å; E301-K304 PolarHBondContact O-N 3.06Å; E301-L305 WeakPolarHBondContact O-CB 3.35Å; E301-L305 PolarHBondContact O-N 3.36Å |
| 302 | K | 91.6 | Very high | 91.1 | Very high | 144 Ų | 144 | 104.2 Ų | 104.2 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.7 | -38.7 | 174.8 | -172.9 | 177.2 | -180 | 178.6 | 0 | 111.3 | Q298 L299 Q306 | Q298-K302 VanDerWaalsContact O-CB 3.3Å; Q298-K302 WeakPolarHBondContact O-CB 3.11Å; Q298-K302 PolarHBondContact O-N 2.92Å; L299-K302 PolarHBondContact O-N 3Å; K302-Q306 VanDerWaalsContact O-CB 3.31Å; K302-Q306 WeakPolarHBondContact O-CB 3.38Å; K302-Q306 PolarHBondContact O-N 3.46Å |
| 303 | T | 89.2 | Confident | 90.8 | Very high | 89 Ų | 89 | 104.8 Ų | 104.8 | 55% | 0.546 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 175.4 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | L299 E300 E301 Q306 S307 | L299-T303 WeakPolarHBondContact O-CB 3.35Å; L299-T303 PolarHBondContact O-N 3.25Å; L299-T303 PolarHBondContact O-OG1 2.88Å; E300-T303 WeakPolarHBondContact O-CB 3.44Å; E300-T303 PolarHBondContact O-N 3.5Å; E301-T303 VanDerWaalsContact C-N 3.25Å; E301-T303 PolarHBondContact O-N 3.31Å; T303-Q306 PolarHBondContact O-N 3.28Å; T303-S307 WeakPolarHBondContact O-CB 3.3Å; T303-S307 PolarHBondContact O-N 2.88Å |
| 304 | K | 92.5 | Very high | 90.7 | Very high | 114 Ų | 114 | 101.2 Ų | 101.2 | 50% | 0.496 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 173.6 | -77.3 | 173.6 | -175.2 | 159.6 | 0 | 111.2 | E300 E301 Q306 S307 E308 | E300-K304 WeakPolarHBondContact O-CG 3.39Å; E300-K304 PolarHBondContact O-N 2.78Å; E300-K304 VanDerWaalsContact OE1-CE 3.3Å; E300-K304 WeakPolarHBondContact OE1-CE 3.32Å; E300-K304 IonicContact OE1-NZ 2.62Å; E300-K304 PolarHBondContact OE1-NZ 3.39Å; E301-K304 WeakPolarHBondContact O-CB 3.44Å; E301-K304 PolarHBondContact O-N 3.06Å; K304-Q306 VanDerWaalsContact C-N 3.33Å; K304-Q306 PolarHBondContact O-N 3.49Å; K304-S307 WeakPolarHBondContact CA-OG 3.48Å; K304-S307 WeakPolarHBondContact O-CB 3.46Å; K304-S307 PolarHBondContact O-N 3.36Å; K304-S307 VanDerWaalsContact O-N 3.1Å; K304-S307 PolarHBondContact O-OG 2.84Å; K304-E308 PolarHBondContact O-N 3.45Å |
| 305 | L | 91.9 | Very high | 90.6 | Very high | 108 Ų | 108 | 102.5 Ų | 102.5 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -41.7 | 178.1 | -171.3 | 70.5 | 0 | 0 | 0 | 111.9 | E301 S307 E308 N309 | E301-L305 WeakPolarHBondContact O-CB 3.35Å; E301-L305 PolarHBondContact O-N 3.36Å; L305-S307 VanDerWaalsContact C-N 3.34Å; L305-E308 PolarHBondContact O-N 2.89Å; L305-N309 WeakPolarHBondContact O-CB 3.44Å; L305-N309 PolarHBondContact O-N 3.49Å; L305-N309 PolarHBondContact O-ND2 3.3Å |
| 306 | Q | 89 | Confident | 90.5 | Very high | 135 Ų | 135 | 104 Ų | 104 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.2 | -39.7 | 174.9 | -172.4 | 175.4 | -4.1 | 0 | 0 | 111.6 | K302 T303 K304 N309 L310 | K302-Q306 VanDerWaalsContact O-CB 3.31Å; K302-Q306 WeakPolarHBondContact O-CB 3.38Å; K302-Q306 PolarHBondContact O-N 3.46Å; T303-Q306 PolarHBondContact O-N 3.28Å; K304-Q306 VanDerWaalsContact C-N 3.33Å; K304-Q306 PolarHBondContact O-N 3.49Å; Q306-N309 PolarHBondContact O-N 2.89Å; Q306-L310 WeakPolarHBondContact O-CB 3.31Å; Q306-L310 PolarHBondContact O-N 2.99Å |
| 307 | S | 87 | Confident | 90.3 | Very high | 69 Ų | 69 | 105.9 Ų | 105.9 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 175.8 | 77.3 | 0 | 0 | 0 | 0 | 112.4 | T303 K304 L305 L310 K311 | T303-S307 WeakPolarHBondContact O-CB 3.3Å; T303-S307 PolarHBondContact O-N 2.88Å; K304-S307 WeakPolarHBondContact CA-OG 3.48Å; K304-S307 WeakPolarHBondContact O-CB 3.46Å; K304-S307 PolarHBondContact O-N 3.36Å; K304-S307 VanDerWaalsContact O-N 3.1Å; K304-S307 PolarHBondContact O-OG 2.84Å; L305-S307 VanDerWaalsContact C-N 3.34Å; S307-L310 PolarHBondContact O-N 2.75Å; S307-K311 WeakPolarHBondContact O-CB 3.48Å; S307-K311 PolarHBondContact O-N 3.37Å |
| 308 | E | 90.7 | Very high | 90.2 | Very high | 107 Ų | 107 | 108.5 Ų | 108.5 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.9 | -42.2 | 176.6 | -171.6 | 127.4 | -142.1 | 0 | 0 | 111.5 | K304 L305 L310 K311 Q312 | K304-E308 PolarHBondContact O-N 3.45Å; L305-E308 PolarHBondContact O-N 2.89Å; E308-L310 VanDerWaalsContact C-N 3.34Å; E308-L310 PolarHBondContact O-N 2.9Å; E308-K311 WeakPolarHBondContact O-CB 3.45Å; E308-K311 PolarHBondContact O-N 3.03Å; E308-Q312 WeakPolarHBondContact O-CG 3.24Å; E308-Q312 PolarHBondContact O-N 3Å |
| 309 | N | 91.4 | Very high | 90 | Very high | 89 Ų | 89 | 107.7 Ų | 107.7 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 172 | -78.9 | -22.6 | 0 | 0 | 0 | 112 | L305 Q306 Q312 S313 | L305-N309 WeakPolarHBondContact O-CB 3.44Å; L305-N309 PolarHBondContact O-N 3.49Å; L305-N309 PolarHBondContact O-ND2 3.3Å; Q306-N309 PolarHBondContact O-N 2.89Å; N309-Q312 PolarHBondContact O-N 3.49Å; N309-S313 WeakPolarHBondContact O-CB 3.45Å; N309-S313 PolarHBondContact O-N 3.03Å |
| 310 | L | 89.2 | Confident | 89.9 | Confident | 113 Ų | 113 | 107.8 Ų | 107.8 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -43.8 | 176 | -165.8 | 73.8 | 0 | 0 | 0 | 110.7 | Q306 S307 E308 S313 I314 | Q306-L310 WeakPolarHBondContact O-CB 3.31Å; Q306-L310 PolarHBondContact O-N 2.99Å; S307-L310 PolarHBondContact O-N 2.75Å; E308-L310 VanDerWaalsContact C-N 3.34Å; E308-L310 PolarHBondContact O-N 2.9Å; L310-S313 WeakPolarHBondContact O-CB 3.26Å; L310-S313 PolarHBondContact O-N 3.44Å; L310-I314 HydrophobicContact CG-CD1 4.2Å; L310-I314 VanDerWaalsContact O-CG1 3.27Å; L310-I314 WeakPolarHBondContact O-CG1 3.4Å; L310-I314 PolarHBondContact O-N 2.81Å |
| 311 | K | 92.3 | Very high | 89.8 | Confident | 122 Ų | 122 | 107.1 Ų | 107.1 | 53% | 0.53 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 174.6 | -175.9 | -174.5 | 174.5 | -167.1 | 0 | 111.5 | S307 E308 S313 I314 E315 | S307-K311 WeakPolarHBondContact O-CB 3.48Å; S307-K311 PolarHBondContact O-N 3.37Å; E308-K311 WeakPolarHBondContact O-CB 3.45Å; E308-K311 PolarHBondContact O-N 3.03Å; K311-S313 VanDerWaalsContact C-N 3.3Å; K311-S313 PolarHBondContact O-N 3.33Å; K311-I314 PolarHBondContact O-N 3.28Å; K311-E315 WeakPolarHBondContact CE-OE1 3.29Å; K311-E315 WeakPolarHBondContact O-CG 3.32Å; K311-E315 PolarHBondContact O-N 3.21Å |
| 312 | Q | 89.6 | Confident | 89.6 | Confident | 84 Ų | 84 | 107.6 Ų | 107.6 | 39% | 0.393 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 174.7 | -77.8 | -172.9 | 10 | 0 | 0 | 112.2 | E308 N309 E315 K316 | E308-Q312 WeakPolarHBondContact O-CG 3.24Å; E308-Q312 PolarHBondContact O-N 3Å; N309-Q312 PolarHBondContact O-N 3.49Å; Q312-E315 PolarHBondContact O-N 3.32Å; Q312-K316 WeakPolarHBondContact O-CB 3.41Å; Q312-K316 WeakPolarHBondContact O-CG 3.44Å; Q312-K316 PolarHBondContact O-N 2.75Å |
| 313 | S | 85.6 | Confident | 89.6 | Confident | 68 Ų | 68 | 104.9 Ų | 104.9 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 176.2 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | N309 L310 K311 K316 Q317 | N309-S313 WeakPolarHBondContact O-CB 3.45Å; N309-S313 PolarHBondContact O-N 3.03Å; L310-S313 WeakPolarHBondContact O-CB 3.26Å; L310-S313 PolarHBondContact O-N 3.44Å; K311-S313 VanDerWaalsContact C-N 3.3Å; K311-S313 PolarHBondContact O-N 3.33Å; S313-K316 PolarHBondContact O-N 3.18Å; S313-Q317 WeakPolarHBondContact O-CB 3.37Å; S313-Q317 PolarHBondContact O-N 2.89Å |
| 314 | I | 91 | Very high | 89.5 | Confident | 77 Ų | 77 | 106.1 Ų | 106.1 | 40% | 0.395 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 174.9 | -70.6 | 164.5 | 0 | 0 | 0 | 110.3 | L310 K311 Q317 H318 | L310-I314 HydrophobicContact CG-CD1 4.2Å; L310-I314 VanDerWaalsContact O-CG1 3.27Å; L310-I314 WeakPolarHBondContact O-CG1 3.4Å; L310-I314 PolarHBondContact O-N 2.81Å; K311-I314 PolarHBondContact O-N 3.28Å; I314-Q317 PolarHBondContact O-N 3.44Å; I314-H318 PolarHBondContact O-CD2 3.02Å; I314-H318 PolarHBondContact O-N 2.96Å |
| 315 | E | 89.5 | Confident | 89.4 | Confident | 104 Ų | 104 | 104.9 Ų | 104.9 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 175.6 | -74.4 | 171.4 | -175.6 | 0 | 0 | 111.8 | K311 Q312 Q317 H318 H319 | K311-E315 WeakPolarHBondContact CE-OE1 3.29Å; K311-E315 WeakPolarHBondContact O-CG 3.32Å; K311-E315 PolarHBondContact O-N 3.21Å; Q312-E315 PolarHBondContact O-N 3.32Å; E315-Q317 PolarHBondContact O-N 2.66Å; E315-H318 PolarHBondContact O-N 3.25Å; E315-H319 WeakPolarHBondContact O-CB 3.45Å; E315-H319 PolarHBondContact O-N 3.45Å |
| 316 | K | 91.4 | Very high | 89.3 | Confident | 137 Ų | 137 | 104.6 Ų | 104.6 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -44.1 | 173.9 | -75 | 170.3 | -175.2 | 173.3 | 0 | 111.4 | Q312 S313 H319 L320 | Q312-K316 WeakPolarHBondContact O-CB 3.41Å; Q312-K316 WeakPolarHBondContact O-CG 3.44Å; Q312-K316 PolarHBondContact O-N 2.75Å; S313-K316 PolarHBondContact O-N 3.18Å; K316-H319 PolarHBondContact O-N 2.74Å; K316-L320 WeakPolarHBondContact O-CB 3.43Å; K316-L320 PolarHBondContact O-N 2.76Å |
| 317 | Q | 89 | Confident | 89.3 | Confident | 126 Ų | 126 | 103.7 Ų | 103.7 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 175.6 | -178.2 | -175.6 | -5.7 | 0 | 0 | 111.4 | S313 I314 E315 H319 L320 T321 | S313-Q317 WeakPolarHBondContact O-CB 3.37Å; S313-Q317 PolarHBondContact O-N 2.89Å; I314-Q317 PolarHBondContact O-N 3.44Å; E315-Q317 PolarHBondContact O-N 2.66Å; Q317-H319 VanDerWaalsContact C-N 3.35Å; Q317-L320 PolarHBondContact O-N 3.24Å; Q317-T321 VanDerWaalsContact O-CB 3.28Å; Q317-T321 WeakPolarHBondContact O-CB 3.31Å; Q317-T321 PolarHBondContact O-N 2.84Å; Q317-T321 PolarHBondContact O-OG1 2.98Å |
| 318 | H | 89.1 | Confident | 89.5 | Confident | 126 Ų | 126 | 105.3 Ų | 105.3 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 175.5 | -79.9 | -57.7 | 0 | 0 | 0 | 112.1 | I314 E315 T321 K322 | I314-H318 PolarHBondContact O-CD2 3.02Å; I314-H318 PolarHBondContact O-N 2.96Å; E315-H318 PolarHBondContact O-N 3.25Å; H318-T321 PolarHBondContact O-N 3.29Å; H318-K322 WeakPolarHBondContact O-CB 3.13Å; H318-K322 PolarHBondContact O-N 2.92Å |
| 319 | H | 88.7 | Confident | 89.4 | Confident | 113 Ų | 113 | 102.9 Ų | 102.9 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 175.4 | -172.9 | 41.1 | 0 | 0 | 0 | 111.3 | E315 K316 Q317 T321 K322 E323 | E315-H319 WeakPolarHBondContact O-CB 3.45Å; E315-H319 PolarHBondContact O-N 3.45Å; K316-H319 PolarHBondContact O-N 2.74Å; Q317-H319 VanDerWaalsContact C-N 3.35Å; H319-T321 VanDerWaalsContact C-N 3.31Å; H319-T321 PolarHBondContact O-N 3.41Å; H319-K322 WeakPolarHBondContact O-CB 3.45Å; H319-K322 PolarHBondContact O-N 3.41Å; H319-K322 VanDerWaalsContact O-N 3.11Å; H319-E323 IonicContact CE1-OE1 3.42Å; H319-E323 IonicContact NE2-OE1 3.72Å; H319-E323 PolarHBondContact NE2-OE1 2.88Å; H319-E323 WeakPolarHBondContact O-CG 3.44Å; H319-E323 PolarHBondContact O-N 2.78Å |
| 320 | L | 88.5 | Confident | 89.3 | Confident | 111 Ų | 111 | 101.4 Ų | 101.4 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 177.1 | -137.8 | 79.6 | 0 | 0 | 0 | 111.8 | K316 Q317 K322 E323 L324 | K316-L320 WeakPolarHBondContact O-CB 3.43Å; K316-L320 PolarHBondContact O-N 2.76Å; Q317-L320 PolarHBondContact O-N 3.24Å; L320-K322 VanDerWaalsContact C-N 3.33Å; L320-E323 PolarHBondContact O-N 3.33Å; L320-L324 VanDerWaalsContact O-CB 3.24Å; L320-L324 WeakPolarHBondContact O-CB 3.23Å; L320-L324 PolarHBondContact O-N 3.07Å |
| 321 | T | 88.7 | Confident | 89.2 | Confident | 78 Ų | 78 | 101.1 Ų | 101.1 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.4 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | Q317 H318 H319 L324 E325 | Q317-T321 VanDerWaalsContact O-CB 3.28Å; Q317-T321 WeakPolarHBondContact O-CB 3.31Å; Q317-T321 PolarHBondContact O-N 2.84Å; Q317-T321 PolarHBondContact O-OG1 2.98Å; H318-T321 PolarHBondContact O-N 3.29Å; H319-T321 VanDerWaalsContact C-N 3.31Å; H319-T321 PolarHBondContact O-N 3.41Å; T321-L324 PolarHBondContact O-N 3.15Å; T321-E325 WeakPolarHBondContact O-CB 3.47Å; T321-E325 PolarHBondContact O-N 2.94Å |
| 322 | K | 86.9 | Confident | 89.2 | Confident | 145 Ų | 145 | 101.6 Ų | 101.6 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.8 | -44.4 | 175.5 | -171 | -178.1 | 179 | -174.8 | 0 | 111.4 | H318 H319 L320 E325 D326 | H318-K322 WeakPolarHBondContact O-CB 3.13Å; H318-K322 PolarHBondContact O-N 2.92Å; H319-K322 WeakPolarHBondContact O-CB 3.45Å; H319-K322 PolarHBondContact O-N 3.41Å; H319-K322 VanDerWaalsContact O-N 3.11Å; L320-K322 VanDerWaalsContact C-N 3.33Å; K322-E325 PolarHBondContact O-N 3.28Å; K322-D326 PolarHBondContact O-N 3.43Å |
| 323 | E | 89.9 | Confident | 89.2 | Confident | 88 Ų | 88 | 105 Ų | 105 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 174.6 | -71.6 | -176.1 | 154.1 | 0 | 0 | 111.7 | H319 L320 E325 D326 I327 | H319-E323 IonicContact CE1-OE1 3.42Å; H319-E323 IonicContact NE2-OE1 3.72Å; H319-E323 PolarHBondContact NE2-OE1 2.88Å; H319-E323 WeakPolarHBondContact O-CG 3.44Å; H319-E323 PolarHBondContact O-N 2.78Å; L320-E323 PolarHBondContact O-N 3.33Å; E323-E325 VanDerWaalsContact C-N 3.32Å; E323-E325 PolarHBondContact O-N 3.33Å; E323-D326 PolarHBondContact O-N 2.93Å; E323-I327 WeakPolarHBondContact O-CB 3.24Å; E323-I327 WeakPolarHBondContact O-CG1 2.88Å; E323-I327 PolarHBondContact O-N 2.76Å |
| 324 | L | 88.1 | Confident | 89.1 | Confident | 114 Ų | 114 | 104.2 Ų | 104.2 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.5 | -38.5 | 178.9 | -154.3 | 155.9 | 0 | 0 | 0 | 110.9 | L320 T321 K328 | L320-L324 VanDerWaalsContact O-CB 3.24Å; L320-L324 WeakPolarHBondContact O-CB 3.23Å; L320-L324 PolarHBondContact O-N 3.07Å; T321-L324 PolarHBondContact O-N 3.15Å; L324-K328 WeakPolarHBondContact O-CB 3.47Å; L324-K328 PolarHBondContact O-N 3.21Å |
| 325 | E | 89.4 | Confident | 89.1 | Confident | 88 Ų | 88 | 104.2 Ų | 104.2 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.9 | -39.9 | 173.8 | -164.1 | 61.9 | -148 | 0 | 0 | 112.2 | T321 K322 E323 K328 V329 | T321-E325 WeakPolarHBondContact O-CB 3.47Å; T321-E325 PolarHBondContact O-N 2.94Å; K322-E325 PolarHBondContact O-N 3.28Å; E323-E325 VanDerWaalsContact C-N 3.32Å; E323-E325 PolarHBondContact O-N 3.33Å; E325-K328 VanDerWaalsContact CD-NZ 3.29Å; E325-K328 PolarHBondContact O-N 3.05Å; E325-K328 IonicContact OE1-NZ 2.77Å; E325-K328 PolarHBondContact OE1-NZ 3.41Å; E325-K328 IonicContact OE2-NZ 3.25Å; E325-K328 PolarHBondContact OE2-NZ 3.33Å; E325-V329 WeakPolarHBondContact O-CB 3.33Å; E325-V329 VanDerWaalsContact O-CG2 3.3Å; E325-V329 WeakPolarHBondContact O-CG2 3.34Å; E325-V329 PolarHBondContact O-N 3.38Å |
| 326 | D | 89.7 | Confident | 89 | Confident | 103 Ų | 103 | 102.7 Ų | 102.7 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 174 | -99.6 | 2.8 | 0 | 0 | 0 | 111.8 | K322 E323 V329 S330 | K322-D326 PolarHBondContact O-N 3.43Å; E323-D326 PolarHBondContact O-N 2.93Å; D326-V329 PolarHBondContact O-N 3.19Å; D326-S330 VanDerWaalsContact O-CB 3.25Å; D326-S330 WeakPolarHBondContact O-CB 3.48Å; D326-S330 PolarHBondContact O-N 3.12Å; D326-S330 PolarHBondContact O-OG 3.17Å |
| 327 | I | 89.1 | Confident | 88.7 | Confident | 116 Ų | 116 | 99.9 Ų | 99.9 | 60% | 0.595 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 174.5 | -69.6 | 165.8 | 0 | 0 | 0 | 109.9 | E323 S330 L331 | E323-I327 WeakPolarHBondContact O-CB 3.24Å; E323-I327 WeakPolarHBondContact O-CG1 2.88Å; E323-I327 PolarHBondContact O-N 2.76Å; I327-S330 PolarHBondContact O-N 3.35Å; I327-L331 WeakPolarHBondContact O-CB 3.41Å; I327-L331 PolarHBondContact O-N 3.5Å |
| 328 | K | 92.1 | Very high | 88.6 | Confident | 103 Ų | 103 | 99.5 Ų | 99.5 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.7 | 175.3 | 174.2 | 156.7 | -122.9 | 0 | 112.3 | L324 E325 S330 L331 Q332 | L324-K328 WeakPolarHBondContact O-CB 3.47Å; L324-K328 PolarHBondContact O-N 3.21Å; E325-K328 VanDerWaalsContact CD-NZ 3.29Å; E325-K328 PolarHBondContact O-N 3.05Å; E325-K328 IonicContact OE1-NZ 2.77Å; E325-K328 PolarHBondContact OE1-NZ 3.41Å; E325-K328 IonicContact OE2-NZ 3.25Å; E325-K328 PolarHBondContact OE2-NZ 3.33Å; K328-S330 VanDerWaalsContact C-N 3.32Å; K328-L331 PolarHBondContact O-N 2.93Å; K328-Q332 WeakPolarHBondContact O-CB 3.43Å; K328-Q332 PolarHBondContact O-N 2.69Å |
| 329 | V | 89.2 | Confident | 88.5 | Confident | 56 Ų | 56 | 100.1 Ų | 100.1 | 34% | 0.339 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | E325 D326 Q332 R333 | E325-V329 WeakPolarHBondContact O-CB 3.33Å; E325-V329 VanDerWaalsContact O-CG2 3.3Å; E325-V329 WeakPolarHBondContact O-CG2 3.34Å; E325-V329 PolarHBondContact O-N 3.38Å; D326-V329 PolarHBondContact O-N 3.19Å; V329-Q332 PolarHBondContact O-N 3.23Å; V329-R333 WeakPolarHBondContact O-CB 3.37Å; V329-R333 PolarHBondContact O-N 3.24Å |
| 330 | S | 87.4 | Confident | 88.4 | Confident | 58 Ų | 58 | 97 Ų | 97 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 176.5 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | D326 I327 K328 R333 S334 | D326-S330 VanDerWaalsContact O-CB 3.25Å; D326-S330 WeakPolarHBondContact O-CB 3.48Å; D326-S330 PolarHBondContact O-N 3.12Å; D326-S330 PolarHBondContact O-OG 3.17Å; I327-S330 PolarHBondContact O-N 3.35Å; K328-S330 VanDerWaalsContact C-N 3.32Å; S330-R333 WeakPolarHBondContact O-CB 3.45Å; S330-R333 PolarHBondContact O-N 3.11Å; S330-S334 PolarHBondContact O-N 2.8Å |
| 331 | L | 89 | Confident | 88.2 | Confident | 107 Ų | 107 | 97 Ų | 97 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 174 | -179.6 | 65.3 | 0 | 0 | 0 | 111.2 | I327 K328 R333 S334 V335 | I327-L331 WeakPolarHBondContact O-CB 3.41Å; I327-L331 PolarHBondContact O-N 3.5Å; K328-L331 PolarHBondContact O-N 2.93Å; L331-R333 VanDerWaalsContact C-N 3.29Å; L331-R333 PolarHBondContact O-N 2.93Å; L331-S334 WeakPolarHBondContact CA-OG 3.35Å; L331-S334 PolarHBondContact O-N 3.47Å; L331-S334 PolarHBondContact O-OG 3.36Å; L331-V335 HydrophobicContact CD1-CG2 4.31Å; L331-V335 HydrophobicContact CG-CG2 4.43Å; L331-V335 WeakPolarHBondContact O-CB 3.09Å; L331-V335 VanDerWaalsContact O-CG2 3.25Å; L331-V335 WeakPolarHBondContact O-CG2 3.25Å; L331-V335 PolarHBondContact O-N 2.98Å |
| 332 | Q | 91.8 | Very high | 88.1 | Confident | 131 Ų | 131 | 99 Ų | 99 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -38.5 | 176.1 | -175.6 | 167.5 | 4.3 | 0 | 0 | 111.7 | K328 V329 S336 | K328-Q332 WeakPolarHBondContact O-CB 3.43Å; K328-Q332 PolarHBondContact O-N 2.69Å; V329-Q332 PolarHBondContact O-N 3.23Å; Q332-S336 WeakPolarHBondContact O-CB 3.45Å; Q332-S336 PolarHBondContact O-N 3Å; Q332-S336 PolarHBondContact O-OG 3.44Å |
| 333 | R | 88.3 | Confident | 88 | Confident | 155 Ų | 155 | 97 Ų | 97 | 59% | 0.585 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -46.4 | 173 | -166.8 | -176.3 | -53.2 | 143.4 | 8.9 | 111.4 | V329 S330 L331 V335 S336 T337 | V329-R333 WeakPolarHBondContact O-CB 3.37Å; V329-R333 PolarHBondContact O-N 3.24Å; S330-R333 WeakPolarHBondContact O-CB 3.45Å; S330-R333 PolarHBondContact O-N 3.11Å; L331-R333 VanDerWaalsContact C-N 3.29Å; L331-R333 PolarHBondContact O-N 2.93Å; R333-V335 PolarHBondContact O-N 3.12Å; R333-S336 WeakPolarHBondContact O-CB 3.26Å; R333-S336 PolarHBondContact O-N 3.03Å; R333-T337 PolarHBondContact O-N 2.79Å; R333-T337 PolarHBondContact O-OG1 3.24Å |
| 334 | S | 85 | Confident | 87.9 | Confident | 52 Ų | 52 | 97.7 Ų | 97.7 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | -179.9 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | S330 L331 S336 T337 Q338 | S330-S334 PolarHBondContact O-N 2.8Å; L331-S334 WeakPolarHBondContact CA-OG 3.35Å; L331-S334 PolarHBondContact O-N 3.47Å; L331-S334 PolarHBondContact O-OG 3.36Å; S334-S336 VanDerWaalsContact C-N 3.32Å; S334-T337 VanDerWaalsContact CA-OG1 3.28Å; S334-T337 WeakPolarHBondContact CA-OG1 3.18Å; S334-T337 PolarHBondContact O-N 3.03Å; S334-T337 PolarHBondContact O-OG1 3.45Å; S334-Q338 WeakPolarHBondContact O-CB 3.41Å; S334-Q338 PolarHBondContact O-N 3.41Å |
| 335 | V | 89.7 | Confident | 87.7 | Confident | 78 Ų | 78 | 97.6 Ų | 97.6 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 173.2 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | L331 R333 Q338 K339 | L331-V335 HydrophobicContact CD1-CG2 4.31Å; L331-V335 HydrophobicContact CG-CG2 4.43Å; L331-V335 WeakPolarHBondContact O-CB 3.09Å; L331-V335 VanDerWaalsContact O-CG2 3.25Å; L331-V335 WeakPolarHBondContact O-CG2 3.25Å; L331-V335 PolarHBondContact O-N 2.98Å; R333-V335 PolarHBondContact O-N 3.12Å; V335-Q338 PolarHBondContact O-N 2.98Å; V335-K339 WeakPolarHBondContact O-CB 3.45Å; V335-K339 PolarHBondContact O-N 3.38Å |
| 336 | S | 87.7 | Confident | 87.7 | Confident | 72 Ų | 72 | 100.2 Ų | 100.2 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 176.4 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | Q332 R333 S334 K339 A340 | Q332-S336 WeakPolarHBondContact O-CB 3.45Å; Q332-S336 PolarHBondContact O-N 3Å; Q332-S336 PolarHBondContact O-OG 3.44Å; R333-S336 WeakPolarHBondContact O-CB 3.26Å; R333-S336 PolarHBondContact O-N 3.03Å; S334-S336 VanDerWaalsContact C-N 3.32Å; S336-K339 PolarHBondContact O-N 3.24Å; S336-A340 PolarHBondContact O-N 3.37Å; S336-A340 VanDerWaalsContact O-N 3.14Å |
| 337 | T | 85.9 | Confident | 87.5 | Confident | 78 Ų | 78 | 100.4 Ų | 100.4 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -37 | 175.3 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | R333 S334 K339 A340 L341 | R333-T337 PolarHBondContact O-N 2.79Å; R333-T337 PolarHBondContact O-OG1 3.24Å; S334-T337 VanDerWaalsContact CA-OG1 3.28Å; S334-T337 WeakPolarHBondContact CA-OG1 3.18Å; S334-T337 PolarHBondContact O-N 3.03Å; S334-T337 PolarHBondContact O-OG1 3.45Å; T337-K339 VanDerWaalsContact C-N 3.32Å; T337-A340 PolarHBondContact O-N 2.82Å; T337-L341 PolarHBondContact O-N 2.86Å |
| 338 | Q | 86.1 | Confident | 87.3 | Confident | 118 Ų | 118 | 97.1 Ų | 97.1 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 174.7 | -179.1 | 178.6 | -0.5 | 0 | 0 | 110.4 | S334 V335 A340 L341 E342 | S334-Q338 WeakPolarHBondContact O-CB 3.41Å; S334-Q338 PolarHBondContact O-N 3.41Å; V335-Q338 PolarHBondContact O-N 2.98Å; Q338-A340 VanDerWaalsContact C-N 3.32Å; Q338-A340 PolarHBondContact O-N 3.32Å; Q338-L341 PolarHBondContact O-N 3.43Å; Q338-E342 WeakPolarHBondContact O-CB 3.36Å; Q338-E342 PolarHBondContact O-N 3.22Å |
| 339 | K | 87.5 | Confident | 87 | Confident | 139 Ų | 139 | 95.9 Ų | 95.9 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 176.9 | -166.9 | 177.4 | 178.8 | -175.4 | 0 | 112.2 | V335 S336 T337 E342 E343 | V335-K339 WeakPolarHBondContact O-CB 3.45Å; V335-K339 PolarHBondContact O-N 3.38Å; S336-K339 PolarHBondContact O-N 3.24Å; T337-K339 VanDerWaalsContact C-N 3.32Å; K339-E342 PolarHBondContact O-N 2.67Å; K339-E343 WeakPolarHBondContact O-CG 3.48Å; K339-E343 PolarHBondContact O-N 3.39Å |
| 340 | A | 87 | Confident | 86.8 | Confident | 48 Ų | 48 | 100 Ų | 100 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S336 T337 Q338 E342 E343 D344 | S336-A340 PolarHBondContact O-N 3.37Å; S336-A340 VanDerWaalsContact O-N 3.14Å; T337-A340 PolarHBondContact O-N 2.82Å; Q338-A340 VanDerWaalsContact C-N 3.32Å; Q338-A340 PolarHBondContact O-N 3.32Å; A340-E342 VanDerWaalsContact C-N 3.35Å; A340-E342 PolarHBondContact O-N 2.68Å; A340-E343 PolarHBondContact O-N 2.79Å; A340-D344 PolarHBondContact O-N 2.84Å |
| 341 | L | 84.1 | Confident | 86.6 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -37.3 | 175.6 | -88.2 | 158.5 | 0 | 0 | 0 | 113.1 | T337 Q338 D344 L345 | T337-L341 PolarHBondContact O-N 2.86Å; Q338-L341 PolarHBondContact O-N 3.43Å; L341-D344 PolarHBondContact O-N 3.01Å; L341-L345 WeakPolarHBondContact O-CB 3.34Å; L341-L345 PolarHBondContact O-N 3.47Å |
| 342 | E | 86.9 | Confident | 86.3 | Confident | 121 Ų | 121 | 100.3 Ų | 100.3 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -44.8 | 175.2 | -171.4 | 100 | -143.5 | 0 | 0 | 110.7 | Q338 K339 A340 L345 Q346 | Q338-E342 WeakPolarHBondContact O-CB 3.36Å; Q338-E342 PolarHBondContact O-N 3.22Å; K339-E342 PolarHBondContact O-N 2.67Å; A340-E342 VanDerWaalsContact C-N 3.35Å; A340-E342 PolarHBondContact O-N 2.68Å; E342-L345 PolarHBondContact O-N 3.1Å; E342-Q346 WeakPolarHBondContact O-CB 3.49Å; E342-Q346 PolarHBondContact O-N 3.49Å |
| 343 | E | 84.4 | Confident | 85.7 | Confident | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.9 | -73.1 | 171.5 | -166.9 | 0 | 0 | 111.2 | K339 A340 Q346 I347 | K339-E343 WeakPolarHBondContact O-CG 3.48Å; K339-E343 PolarHBondContact O-N 3.39Å; A340-E343 PolarHBondContact O-N 2.79Å; E343-Q346 PolarHBondContact O-N 3.35Å; E343-I347 WeakPolarHBondContact O-CG1 3.46Å; E343-I347 PolarHBondContact O-N 3.23Å |
| 344 | D | 88.1 | Confident | 85.6 | Confident | 101 Ų | 101 | 95.2 Ų | 95.2 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 175.3 | -72.7 | -21.8 | 0 | 0 | 0 | 112.5 | A340 L341 Q346 I347 A348 | A340-D344 PolarHBondContact O-N 2.84Å; L341-D344 PolarHBondContact O-N 3.01Å; D344-Q346 VanDerWaalsContact C-N 3.3Å; D344-Q346 PolarHBondContact O-N 2.83Å; D344-I347 PolarHBondContact O-N 2.83Å; D344-A348 WeakPolarHBondContact O-CB 3.3Å; D344-A348 PolarHBondContact O-N 3.49Å |
| 345 | L | 83.8 | Confident | 85.5 | Confident | 113 Ų | 113 | 97.2 Ų | 97.2 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -38.3 | 175.5 | -104.6 | 164.9 | 0 | 0 | 0 | 111.8 | L341 E342 A348 T349 | L341-L345 WeakPolarHBondContact O-CB 3.34Å; L341-L345 PolarHBondContact O-N 3.47Å; E342-L345 PolarHBondContact O-N 3.1Å; L345-A348 PolarHBondContact O-N 3.04Å; L345-T349 WeakPolarHBondContact O-CB 3.42Å; L345-T349 PolarHBondContact O-N 2.85Å; L345-T349 PolarHBondContact O-OG1 3.18Å |
| 346 | Q | 88 | Confident | 85.2 | Confident | 142 Ų | 142 | 97.3 Ų | 97.3 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.8 | -40.2 | 177.8 | -143 | 175.4 | 37.9 | 0 | 0 | 111.3 | E342 E343 D344 K350 | E342-Q346 WeakPolarHBondContact O-CB 3.49Å; E342-Q346 PolarHBondContact O-N 3.49Å; E343-Q346 PolarHBondContact O-N 3.35Å; D344-Q346 VanDerWaalsContact C-N 3.3Å; D344-Q346 PolarHBondContact O-N 2.83Å; Q346-K350 WeakPolarHBondContact O-CB 3.47Å; Q346-K350 PolarHBondContact O-N 3.16Å |
| 347 | I | 86.6 | Confident | 84.8 | Confident | 107 Ų | 107 | 100.3 Ų | 100.3 | 55% | 0.549 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 173.5 | -66.5 | 164.8 | 0 | 0 | 0 | 110.8 | E343 D344 T349 K350 T351 | E343-I347 WeakPolarHBondContact O-CG1 3.46Å; E343-I347 PolarHBondContact O-N 3.23Å; D344-I347 PolarHBondContact O-N 2.83Å; I347-T349 PolarHBondContact O-N 3.24Å; I347-K350 PolarHBondContact O-N 2.98Å; I347-T351 PolarHBondContact O-N 2.92Å; I347-T351 PolarHBondContact O-OG1 3.15Å |
| 348 | A | 84.2 | Confident | 84.5 | Confident | 47 Ų | 47 | 102.5 Ų | 102.5 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D344 L345 K350 T351 I352 | D344-A348 WeakPolarHBondContact O-CB 3.3Å; D344-A348 PolarHBondContact O-N 3.49Å; L345-A348 PolarHBondContact O-N 3.04Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.43Å; A348-T351 WeakPolarHBondContact O-CB 3.27Å; A348-T351 PolarHBondContact O-N 2.98Å; A348-T351 VanDerWaalsContact O-N 3.15Å; A348-I352 WeakPolarHBondContact O-CG1 3.48Å; A348-I352 PolarHBondContact O-N 3.27Å |
| 349 | T | 86.7 | Confident | 84.4 | Confident | 77 Ų | 77 | 102.8 Ų | 102.8 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | L345 I347 T351 I352 C353 | L345-T349 WeakPolarHBondContact O-CB 3.42Å; L345-T349 PolarHBondContact O-N 2.85Å; L345-T349 PolarHBondContact O-OG1 3.18Å; I347-T349 PolarHBondContact O-N 3.24Å; T349-T351 VanDerWaalsContact C-N 3.29Å; T349-T351 PolarHBondContact O-N 2.85Å; T349-I352 PolarHBondContact O-N 3.44Å; T349-C353 PolarHBondContact O-N 2.72Å; T349-C353 PolarHBondContact O-SG 3.31Å; T349-C353 VanDerWaalsContact O-SG 3.41Å |
| 350 | K | 85.3 | Confident | 84.1 | Confident | 143 Ų | 143 | 102 Ų | 102 | 62% | 0.622 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 176.9 | -166.6 | 176.1 | -177 | 178 | 0 | 112.4 | Q346 I347 A348 C353 Q354 | Q346-K350 WeakPolarHBondContact O-CB 3.47Å; Q346-K350 PolarHBondContact O-N 3.16Å; I347-K350 PolarHBondContact O-N 2.98Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.43Å; K350-C353 PolarHBondContact O-N 2.96Å; K350-Q354 WeakPolarHBondContact O-CG 3.41Å; K350-Q354 PolarHBondContact O-N 2.77Å |
| 351 | T | 83.5 | Confident | 83.7 | Confident | 64 Ų | 64 | 104.3 Ų | 104.3 | 39% | 0.393 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 177.3 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | I347 A348 T349 Q354 L355 | I347-T351 PolarHBondContact O-N 2.92Å; I347-T351 PolarHBondContact O-OG1 3.15Å; A348-T351 WeakPolarHBondContact O-CB 3.27Å; A348-T351 PolarHBondContact O-N 2.98Å; A348-T351 VanDerWaalsContact O-N 3.15Å; T349-T351 VanDerWaalsContact C-N 3.29Å; T349-T351 PolarHBondContact O-N 2.85Å; T351-Q354 PolarHBondContact O-N 3.08Å; T351-L355 PolarHBondContact O-N 3.44Å |
| 352 | I | 81.9 | Confident | 83.7 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 55% | 0.549 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 176 | -69.4 | 169.6 | 0 | 0 | 0 | 111.1 | A348 T349 Q354 L355 T356 | A348-I352 WeakPolarHBondContact O-CG1 3.48Å; A348-I352 PolarHBondContact O-N 3.27Å; T349-I352 PolarHBondContact O-N 3.44Å; I352-Q354 VanDerWaalsContact C-N 3.33Å; I352-Q354 PolarHBondContact O-N 2.68Å; I352-L355 PolarHBondContact O-N 2.88Å; I352-T356 WeakPolarHBondContact O-CB 3.36Å; I352-T356 PolarHBondContact O-N 3.39Å; I352-T356 PolarHBondContact O-OG1 3.07Å |
| 353 | C | 79.8 | Confident | 83.3 | Confident | 66 Ų | 66 | 103.8 Ų | 103.8 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 176.3 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | T349 K350 L355 T356 E357 | T349-C353 PolarHBondContact O-N 2.72Å; T349-C353 PolarHBondContact O-SG 3.31Å; T349-C353 VanDerWaalsContact O-SG 3.41Å; K350-C353 PolarHBondContact O-N 2.96Å; C353-L355 PolarHBondContact O-N 3.48Å; C353-T356 PolarHBondContact O-N 3.45Å; C353-E357 WeakPolarHBondContact O-CG 3.43Å; C353-E357 PolarHBondContact O-N 3.06Å |
| 354 | Q | 85.6 | Confident | 83.2 | Confident | 114 Ų | 114 | 104.1 Ų | 104.1 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.9 | -71 | 176 | -15.2 | 0 | 0 | 112.7 | K350 T351 I352 T356 E357 E358 | K350-Q354 WeakPolarHBondContact O-CG 3.41Å; K350-Q354 PolarHBondContact O-N 2.77Å; T351-Q354 PolarHBondContact O-N 3.08Å; I352-Q354 VanDerWaalsContact C-N 3.33Å; I352-Q354 PolarHBondContact O-N 2.68Å; Q354-T356 VanDerWaalsContact C-N 3.29Å; Q354-T356 PolarHBondContact O-N 2.65Å; Q354-E357 PolarHBondContact O-N 3.37Å; Q354-E358 PolarHBondContact O-N 3.3Å; Q354-E358 VanDerWaalsContact O-N 3.09Å |
| 355 | L | 82.6 | Confident | 82.9 | Confident | 94 Ų | 94 | 106.2 Ų | 106.2 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65 | -33.3 | 175.9 | -79.6 | 168.7 | 0 | 0 | 0 | 112.7 | T351 I352 C353 K359 | T351-L355 PolarHBondContact O-N 3.44Å; I352-L355 PolarHBondContact O-N 2.88Å; C353-L355 PolarHBondContact O-N 3.48Å; L355-K359 WeakPolarHBondContact O-CG 3.48Å; L355-K359 PolarHBondContact O-N 3.4Å |
| 356 | T | 82.9 | Confident | 82.7 | Confident | 79 Ų | 79 | 104 Ų | 104 | 49% | 0.485 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.7 | -44.9 | 178.3 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | I352 C353 Q354 E358 K359 E360 | I352-T356 WeakPolarHBondContact O-CB 3.36Å; I352-T356 PolarHBondContact O-N 3.39Å; I352-T356 PolarHBondContact O-OG1 3.07Å; C353-T356 PolarHBondContact O-N 3.45Å; Q354-T356 VanDerWaalsContact C-N 3.29Å; Q354-T356 PolarHBondContact O-N 2.65Å; T356-E358 VanDerWaalsContact C-N 3.3Å; T356-E358 PolarHBondContact O-N 3.25Å; T356-K359 PolarHBondContact O-N 2.87Å; T356-E360 PolarHBondContact O-N 3.44Å |
| 357 | E | 80.7 | Confident | 82.5 | Confident | 136 Ų | 136 | 100.1 Ų | 100.1 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.7 | -41.5 | 174 | -72.1 | 173.1 | -173.4 | 0 | 0 | 111.6 | C353 Q354 E360 T361 | C353-E357 WeakPolarHBondContact O-CG 3.43Å; C353-E357 PolarHBondContact O-N 3.06Å; Q354-E357 PolarHBondContact O-N 3.37Å; E357-E360 PolarHBondContact O-N 2.86Å; E357-T361 WeakPolarHBondContact O-CG2 3.48Å; E357-T361 PolarHBondContact O-N 2.83Å |
| 358 | E | 79.6 | Confident | 82.5 | Confident | 123 Ų | 123 | 102.1 Ų | 102.1 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 175.6 | -170.2 | 178.5 | -172.4 | 0 | 0 | 112 | Q354 T356 E360 T361 Q362 | Q354-E358 PolarHBondContact O-N 3.3Å; Q354-E358 VanDerWaalsContact O-N 3.09Å; T356-E358 VanDerWaalsContact C-N 3.3Å; T356-E358 PolarHBondContact O-N 3.25Å; E358-E360 PolarHBondContact O-N 3.43Å; E358-T361 PolarHBondContact O-N 2.8Å; E358-T361 PolarHBondContact O-OG1 3.33Å; E358-Q362 PolarHBondContact O-N 3.48Å; E358-Q362 VanDerWaalsContact O-N 3.15Å |
| 359 | K | 82.5 | Confident | 82.4 | Confident | 124 Ų | 124 | 102 Ų | 102 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 178.4 | -72.9 | -71.9 | 160.7 | -162.3 | 0 | 113.3 | L355 T356 Q362 M363 | L355-K359 WeakPolarHBondContact O-CG 3.48Å; L355-K359 PolarHBondContact O-N 3.4Å; T356-K359 PolarHBondContact O-N 2.87Å; K359-Q362 PolarHBondContact O-N 3.42Å; K359-M363 PolarHBondContact O-N 2.88Å |
| 360 | E | 81 | Confident | 82.2 | Confident | 124 Ų | 124 | 105.3 Ų | 105.3 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -45.6 | 174.6 | -159.9 | 79.3 | -149.9 | 0 | 0 | 110.8 | T356 E357 E358 Q362 M363 E364 | T356-E360 PolarHBondContact O-N 3.44Å; E357-E360 PolarHBondContact O-N 2.86Å; E358-E360 PolarHBondContact O-N 3.43Å; E360-Q362 VanDerWaalsContact C-N 3.35Å; E360-Q362 PolarHBondContact O-N 2.87Å; E360-M363 WeakPolarHBondContact O-CB 3.17Å; E360-M363 PolarHBondContact O-N 3.06Å; E360-M363 VanDerWaalsContact O-N 3.14Å; E360-E364 PolarHBondContact O-N 2.95Å |
| 361 | T | 80 | Confident | 82 | Confident | 95 Ų | 95 | 101.6 Ų | 101.6 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -38.8 | 178.1 | 61 | 0 | 0 | 0 | 0 | 112.9 | E357 E358 M363 E364 E365 | E357-T361 WeakPolarHBondContact O-CG2 3.48Å; E357-T361 PolarHBondContact O-N 2.83Å; E358-T361 PolarHBondContact O-N 2.8Å; E358-T361 PolarHBondContact O-OG1 3.33Å; T361-M363 VanDerWaalsContact C-N 3.3Å; T361-M363 PolarHBondContact O-N 3.2Å; T361-E364 PolarHBondContact O-N 3.45Å; T361-E365 PolarHBondContact O-N 2.69Å |
| 362 | Q | 84.1 | Confident | 82 | Confident | 109 Ų | 109 | 101.1 Ų | 101.1 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.1 | -34.5 | 175.4 | -168.8 | 175.8 | 26 | 0 | 0 | 112.1 | E358 K359 E360 S366 | E358-Q362 PolarHBondContact O-N 3.48Å; E358-Q362 VanDerWaalsContact O-N 3.15Å; K359-Q362 PolarHBondContact O-N 3.42Å; E360-Q362 VanDerWaalsContact C-N 3.35Å; E360-Q362 PolarHBondContact O-N 2.87Å; Q362-S366 PolarHBondContact O-N 3.27Å; Q362-S366 VanDerWaalsContact O-N 3.11Å |
| 363 | M | 79.1 | Confident | 82.1 | Confident | 112 Ų | 112 | 102.4 Ų | 102.4 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.9 | -39.9 | 179.1 | -165.1 | 169 | -57.4 | 0 | 0 | 112.2 | K359 E360 T361 E365 S366 N367 | K359-M363 PolarHBondContact O-N 2.88Å; E360-M363 WeakPolarHBondContact O-CB 3.17Å; E360-M363 PolarHBondContact O-N 3.06Å; E360-M363 VanDerWaalsContact O-N 3.14Å; T361-M363 VanDerWaalsContact C-N 3.3Å; T361-M363 PolarHBondContact O-N 3.2Å; M363-E365 VanDerWaalsContact C-N 3.32Å; M363-E365 PolarHBondContact O-N 3.12Å; M363-S366 PolarHBondContact O-N 2.95Å; M363-N367 PolarHBondContact O-N 3.46Å; M363-N367 PolarHBondContact O-ND2 3.27Å |
| 364 | E | 80.8 | Confident | 82.3 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.5 | -163.6 | 65.6 | -159.4 | 0 | 0 | 111.6 | E360 T361 N367 K368 | E360-E364 PolarHBondContact O-N 2.95Å; T361-E364 PolarHBondContact O-N 3.45Å; E364-N367 PolarHBondContact O-N 2.93Å; E364-K368 PolarHBondContact O-N 2.76Å; E364-K368 VanDerWaalsContact O-N 3.11Å |
| 365 | E | 82.3 | Confident | 82.3 | Confident | 145 Ų | 145 | 103.5 Ų | 103.5 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.3 | -44.2 | 174.4 | -168.8 | 175.4 | -157.5 | 0 | 0 | 112 | T361 M363 N367 K368 A369 | T361-E365 PolarHBondContact O-N 2.69Å; M363-E365 VanDerWaalsContact C-N 3.32Å; M363-E365 PolarHBondContact O-N 3.12Å; E365-N367 VanDerWaalsContact C-N 3.32Å; E365-N367 PolarHBondContact O-N 3.41Å; E365-K368 PolarHBondContact O-N 2.89Å; E365-A369 PolarHBondContact O-N 3.44Å |
| 366 | S | 78.9 | Confident | 82.4 | Confident | 66 Ų | 66 | 102 Ų | 102 | 46% | 0.462 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 176.4 | -168 | 0 | 0 | 0 | 0 | 112.6 | Q362 M363 A369 R370 | Q362-S366 PolarHBondContact O-N 3.27Å; Q362-S366 VanDerWaalsContact O-N 3.11Å; M363-S366 PolarHBondContact O-N 2.95Å; S366-A369 PolarHBondContact O-N 3.31Å; S366-R370 WeakPolarHBondContact O-CB 3.4Å; S366-R370 PolarHBondContact O-N 3.27Å |
| 367 | N | 85.4 | Confident | 82.3 | Confident | 61 Ų | 61 | 102.1 Ų | 102.1 | 33% | 0.326 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 175.4 | -76.3 | -27.1 | 0 | 0 | 0 | 111.9 | M363 E364 E365 A369 R370 A371 | M363-N367 PolarHBondContact O-N 3.46Å; M363-N367 PolarHBondContact O-ND2 3.27Å; E364-N367 PolarHBondContact O-N 2.93Å; E365-N367 VanDerWaalsContact C-N 3.32Å; E365-N367 PolarHBondContact O-N 3.41Å; N367-A369 PolarHBondContact O-N 3.18Å; N367-R370 PolarHBondContact O-N 3.47Å; N367-R370 PolarHBondContact OD1-NH1 2.9Å; N367-R370 PolarHBondContact OD1-NH2 3.2Å; N367-A371 PolarHBondContact O-N 2.84Å |
| 368 | K | 86.1 | Confident | 82.3 | Confident | 150 Ų | 150 | 98.7 Ų | 98.7 | 65% | 0.652 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.3 | -43.4 | 173.8 | -79.5 | 179.3 | -180 | 172 | 0 | 112.3 | E364 E365 R370 A371 A372 | E364-K368 PolarHBondContact O-N 2.76Å; E364-K368 VanDerWaalsContact O-N 3.11Å; E365-K368 PolarHBondContact O-N 2.89Å; K368-R370 VanDerWaalsContact C-N 3.35Å; K368-R370 PolarHBondContact O-N 3.21Å; K368-A371 PolarHBondContact O-N 2.85Å; K368-A372 PolarHBondContact O-N 3.38Å; K368-A372 VanDerWaalsContact O-N 3.08Å |
| 369 | A | 81.3 | Confident | 82.5 | Confident | 45 Ų | 45 | 97.8 Ų | 97.8 | 37% | 0.372 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E365 S366 N367 A371 A372 H373 | E365-A369 PolarHBondContact O-N 3.44Å; S366-A369 PolarHBondContact O-N 3.31Å; N367-A369 PolarHBondContact O-N 3.18Å; A369-A371 PolarHBondContact O-N 2.92Å; A369-A372 PolarHBondContact O-N 3.49Å; A369-H373 PolarHBondContact O-N 2.85Å |
| 370 | R | 83.4 | Confident | 82.5 | Confident | 146 Ų | 146 | 98.2 Ų | 98.2 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -40.1 | 176.5 | -162.2 | -174.5 | -46.2 | 128.2 | 17.1 | 112.4 | S366 N367 K368 H373 S374 | S366-R370 WeakPolarHBondContact O-CB 3.4Å; S366-R370 PolarHBondContact O-N 3.27Å; N367-R370 PolarHBondContact O-N 3.47Å; N367-R370 PolarHBondContact OD1-NH1 2.9Å; N367-R370 PolarHBondContact OD1-NH2 3.2Å; K368-R370 VanDerWaalsContact C-N 3.35Å; K368-R370 PolarHBondContact O-N 3.21Å; R370-H373 PolarHBondContact O-N 3.23Å; R370-S374 WeakPolarHBondContact O-CB 3.4Å; R370-S374 PolarHBondContact O-N 3.02Å |
| 371 | A | 81.5 | Confident | 82.7 | Confident | 64 Ų | 64 | 98 Ų | 98 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N367 K368 A369 S374 F375 | N367-A371 PolarHBondContact O-N 2.84Å; K368-A371 PolarHBondContact O-N 2.85Å; A369-A371 PolarHBondContact O-N 2.92Å; A371-S374 PolarHBondContact O-N 3.42Å; A371-F375 PolarHBondContact O-N 2.92Å; A371-F375 VanDerWaalsContact O-N 3.11Å |
| 372 | A | 82.6 | Confident | 82.8 | Confident | 55 Ų | 55 | 97.9 Ų | 97.9 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K368 A369 S374 F375 V376 | K368-A372 PolarHBondContact O-N 3.38Å; K368-A372 VanDerWaalsContact O-N 3.08Å; A369-A372 PolarHBondContact O-N 3.49Å; A372-S374 VanDerWaalsContact C-N 3.35Å; A372-S374 PolarHBondContact O-N 2.81Å; A372-F375 PolarHBondContact O-N 2.71Å; A372-V376 PolarHBondContact O-N 2.56Å |
| 373 | H | 83.6 | Confident | 82.8 | Confident | 134 Ų | 134 | 96.2 Ų | 96.2 | 62% | 0.62 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -40 | 175.6 | -67.3 | 172.8 | 0 | 0 | 0 | 112.4 | A369 R370 F375 V376 V377 | A369-H373 PolarHBondContact O-N 2.85Å; R370-H373 PolarHBondContact O-N 3.23Å; H373-F375 VanDerWaalsContact C-N 3.28Å; H373-F375 PolarHBondContact O-N 3.41Å; H373-V376 PolarHBondContact O-N 3.47Å; H373-V377 WeakPolarHBondContact O-CG2 3.21Å; H373-V377 PolarHBondContact O-N 3.32Å |
| 374 | S | 85.1 | Confident | 83 | Confident | 72 Ų | 72 | 94.4 Ų | 94.4 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 177.1 | -167.8 | 0 | 0 | 0 | 0 | 112.1 | R370 A371 A372 V377 T378 | R370-S374 WeakPolarHBondContact O-CB 3.4Å; R370-S374 PolarHBondContact O-N 3.02Å; A371-S374 PolarHBondContact O-N 3.42Å; A372-S374 VanDerWaalsContact C-N 3.35Å; A372-S374 PolarHBondContact O-N 2.81Å; S374-V377 PolarHBondContact O-N 3.07Å; S374-T378 WeakPolarHBondContact O-CG2 3.49Å; S374-T378 PolarHBondContact O-N 2.9Å; S374-T378 VanDerWaalsContact O-N 3.13Å; S374-T378 PolarHBondContact O-OG1 3.36Å |
| 375 | F | 85 | Confident | 83 | Confident | 131 Ų | 131 | 92.7 Ų | 92.7 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.4 | -43.5 | 176.4 | -176.8 | -94.8 | 0 | 0 | 0 | 112.1 | A371 A372 H373 V377 T378 E379 | A371-F375 PolarHBondContact O-N 2.92Å; A371-F375 VanDerWaalsContact O-N 3.11Å; A372-F375 PolarHBondContact O-N 2.71Å; H373-F375 VanDerWaalsContact C-N 3.28Å; H373-F375 PolarHBondContact O-N 3.41Å; F375-V377 VanDerWaalsContact C-N 3.32Å; F375-V377 PolarHBondContact O-N 3.48Å; F375-T378 WeakPolarHBondContact CA-OG1 3.34Å; F375-T378 PolarHBondContact O-N 2.77Å; F375-T378 PolarHBondContact O-OG1 3.34Å; F375-E379 HydrophobicContact CE1-CG 4.42Å; F375-E379 PolarHBondContact O-N 3.35Å |
| 376 | V | 83.9 | Confident | 83 | Confident | 63 Ų | 63 | 88.7 Ų | 88.7 | 38% | 0.382 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | A372 H373 E379 F380 | A372-V376 PolarHBondContact O-N 2.56Å; H373-V376 PolarHBondContact O-N 3.47Å; V376-E379 PolarHBondContact O-N 3.26Å; V376-F380 HydrophobicContact CG1-CD2 4.1Å; V376-F380 HydrophobicContact CG1-CE2 3.75Å; V376-F380 HydrophobicContact CG1-CZ 4.23Å; V376-F380 PolarHBondContact O-N 2.75Å |
| 377 | V | 81.8 | Confident | 83.1 | Confident | 80 Ų | 80 | 91.1 Ų | 91.1 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | H373 S374 F375 E379 F380 E381 | H373-V377 WeakPolarHBondContact O-CG2 3.21Å; H373-V377 PolarHBondContact O-N 3.32Å; S374-V377 PolarHBondContact O-N 3.07Å; F375-V377 VanDerWaalsContact C-N 3.32Å; F375-V377 PolarHBondContact O-N 3.48Å; V377-E379 VanDerWaalsContact C-N 3.34Å; V377-E379 PolarHBondContact O-N 2.91Å; V377-F380 PolarHBondContact O-N 3.36Å; V377-E381 PolarHBondContact O-N 2.83Å |
| 378 | T | 79.9 | Confident | 83 | Confident | 64 Ų | 64 | 93.9 Ų | 93.9 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -36 | 176.9 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | S374 F375 E381 T382 | S374-T378 WeakPolarHBondContact O-CG2 3.49Å; S374-T378 PolarHBondContact O-N 2.9Å; S374-T378 VanDerWaalsContact O-N 3.13Å; S374-T378 PolarHBondContact O-OG1 3.36Å; F375-T378 WeakPolarHBondContact CA-OG1 3.34Å; F375-T378 PolarHBondContact O-N 2.77Å; F375-T378 PolarHBondContact O-OG1 3.34Å; T378-E381 PolarHBondContact O-N 3.19Å; T378-T382 WeakPolarHBondContact O-CG2 3.3Å; T378-T382 PolarHBondContact O-N 3.25Å; T378-T382 VanDerWaalsContact O-N 3.08Å; T378-T382 PolarHBondContact O-OG1 2.86Å |
| 379 | E | 83.7 | Confident | 82.8 | Confident | 105 Ų | 105 | 93.6 Ų | 93.6 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 172.2 | -104.2 | -171.8 | 150.4 | 0 | 0 | 111 | F375 V376 V377 E381 T382 T383 | F375-E379 HydrophobicContact CE1-CG 4.42Å; F375-E379 PolarHBondContact O-N 3.35Å; V376-E379 PolarHBondContact O-N 3.26Å; V377-E379 VanDerWaalsContact C-N 3.34Å; V377-E379 PolarHBondContact O-N 2.91Å; E379-E381 PolarHBondContact O-N 2.88Å; E379-T382 PolarHBondContact O-N 3.46Å; E379-T382 PolarHBondContact O-OG1 2.95Å; E379-T383 WeakPolarHBondContact O-CG2 3.27Å; E379-T383 PolarHBondContact O-N 3.36Å |
| 380 | F | 83.7 | Confident | 82.9 | Confident | 133 Ų | 133 | 96.4 Ų | 96.4 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -43.4 | 177.6 | -73.2 | -31.7 | 0 | 0 | 0 | 112.7 | V376 V377 T382 T383 V384 | V376-F380 HydrophobicContact CG1-CD2 4.1Å; V376-F380 HydrophobicContact CG1-CE2 3.75Å; V376-F380 HydrophobicContact CG1-CZ 4.23Å; V376-F380 PolarHBondContact O-N 2.75Å; V377-F380 PolarHBondContact O-N 3.36Å; F380-T382 VanDerWaalsContact C-N 3.31Å; F380-T382 PolarHBondContact O-N 2.92Å; F380-T383 PolarHBondContact O-N 2.9Å; F380-T383 PolarHBondContact O-OG1 3.07Å; F380-V384 WeakPolarHBondContact O-CG2 3.49Å; F380-V384 PolarHBondContact O-N 3.36Å |
| 381 | E | 85.3 | Confident | 82.9 | Confident | 119 Ų | 119 | 94.6 Ų | 94.6 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.6 | -42.3 | 175 | -81 | 176.2 | 153.9 | 0 | 0 | 112.2 | V377 T378 E379 V384 C385 | V377-E381 PolarHBondContact O-N 2.83Å; T378-E381 PolarHBondContact O-N 3.19Å; E379-E381 PolarHBondContact O-N 2.88Å; E381-V384 PolarHBondContact O-N 3.47Å; E381-C385 PolarHBondContact O-N 2.8Å; E381-C385 PolarHBondContact O-SG 3.23Å |
| 382 | T | 80.7 | Confident | 82.9 | Confident | 92 Ų | 92 | 100.7 Ų | 100.7 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.6 | -38.9 | 176.8 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | T378 E379 F380 C385 S386 | T378-T382 WeakPolarHBondContact O-CG2 3.3Å; T378-T382 PolarHBondContact O-N 3.25Å; T378-T382 VanDerWaalsContact O-N 3.08Å; T378-T382 PolarHBondContact O-OG1 2.86Å; E379-T382 PolarHBondContact O-N 3.46Å; E379-T382 PolarHBondContact O-OG1 2.95Å; F380-T382 VanDerWaalsContact C-N 3.31Å; F380-T382 PolarHBondContact O-N 2.92Å; T382-C385 PolarHBondContact O-N 3.42Å; T382-S386 PolarHBondContact O-N 3.21Å; T382-S386 VanDerWaalsContact O-N 3.11Å |
| 383 | T | 83.9 | Confident | 82.7 | Confident | 75 Ų | 75 | 102 Ų | 102 | 46% | 0.46 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -36.4 | 176.1 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | E379 F380 S386 L387 | E379-T383 WeakPolarHBondContact O-CG2 3.27Å; E379-T383 PolarHBondContact O-N 3.36Å; F380-T383 PolarHBondContact O-N 2.9Å; F380-T383 PolarHBondContact O-OG1 3.07Å; T383-S386 PolarHBondContact O-N 2.77Å; T383-L387 PolarHBondContact O-N 2.79Å; T383-L387 VanDerWaalsContact O-N 3.13Å |
| 384 | V | 83.7 | Confident | 82.6 | Confident | 74 Ų | 74 | 99.6 Ų | 99.6 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 175.2 | 171 | 0 | 0 | 0 | 0 | 110.3 | F380 E381 S386 L387 E388 | F380-V384 WeakPolarHBondContact O-CG2 3.49Å; F380-V384 PolarHBondContact O-N 3.36Å; E381-V384 PolarHBondContact O-N 3.47Å; V384-S386 VanDerWaalsContact C-N 3.3Å; V384-S386 PolarHBondContact O-N 3.17Å; V384-L387 PolarHBondContact O-N 3.3Å; V384-L387 VanDerWaalsContact O-N 3.14Å; V384-E388 PolarHBondContact O-N 2.81Å |
| 385 | C | 80.8 | Confident | 82.4 | Confident | 72 Ų | 72 | 101.8 Ų | 101.8 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.8 | -40.9 | 176.4 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | E381 T382 E388 E389 | E381-C385 PolarHBondContact O-N 2.8Å; E381-C385 PolarHBondContact O-SG 3.23Å; T382-C385 PolarHBondContact O-N 3.42Å; C385-E388 PolarHBondContact O-N 2.9Å; C385-E389 PolarHBondContact O-N 2.84Å; C385-E389 VanDerWaalsContact O-N 3.08Å |
| 386 | S | 82.7 | Confident | 82.3 | Confident | 62 Ų | 62 | 101.7 Ų | 101.7 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 112.9 | T382 T383 V384 L390 | T382-S386 PolarHBondContact O-N 3.21Å; T382-S386 VanDerWaalsContact O-N 3.11Å; T383-S386 PolarHBondContact O-N 2.77Å; V384-S386 VanDerWaalsContact C-N 3.3Å; V384-S386 PolarHBondContact O-N 3.17Å; S386-L390 WeakPolarHBondContact O-CG 3.45Å; S386-L390 PolarHBondContact O-N 2.83Å; S386-L390 VanDerWaalsContact O-N 3.14Å |
| 387 | L | 81.2 | Confident | 82.2 | Confident | 116 Ų | 116 | 105.6 Ų | 105.6 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69 | -37.3 | 176.6 | -77.1 | 169.8 | 0 | 0 | 0 | 112.2 | T383 V384 L390 L391 | T383-L387 PolarHBondContact O-N 2.79Å; T383-L387 VanDerWaalsContact O-N 3.13Å; V384-L387 PolarHBondContact O-N 3.3Å; V384-L387 VanDerWaalsContact O-N 3.14Å; L387-L390 PolarHBondContact O-N 3.37Å; L387-L391 WeakPolarHBondContact O-CB 3.39Å; L387-L391 PolarHBondContact O-N 3.47Å |
| 388 | E | 82.4 | Confident | 82 | Confident | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.2 | -40.1 | 175.2 | -75.6 | -175.8 | 159.6 | 0 | 0 | 112.3 | V384 C385 L391 R392 | V384-E388 PolarHBondContact O-N 2.81Å; C385-E388 PolarHBondContact O-N 2.9Å; E388-L391 PolarHBondContact O-N 3.37Å; E388-R392 PolarHBondContact O-N 3.33Å |
| 389 | E | 81.8 | Confident | 82 | Confident | 144 Ų | 144 | 109.7 Ų | 109.7 | 67% | 0.673 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.9 | -46.1 | 173.2 | -79.2 | -171.5 | 154.5 | 0 | 0 | 111.9 | C385 L391 R392 T393 | C385-E389 PolarHBondContact O-N 2.84Å; C385-E389 VanDerWaalsContact O-N 3.08Å; E389-L391 VanDerWaalsContact C-N 3.32Å; E389-L391 PolarHBondContact O-N 2.92Å; E389-R392 PolarHBondContact O-N 2.88Å; E389-T393 WeakPolarHBondContact O-CG2 3.37Å; E389-T393 PolarHBondContact O-N 3.46Å; E389-T393 PolarHBondContact O-OG1 3.38Å |
| 390 | L | 84.3 | Confident | 81.8 | Confident | 104 Ų | 104 | 111.9 Ų | 111.9 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.9 | -43.5 | 175.8 | -76.1 | 170.4 | 0 | 0 | 0 | 111.6 | S386 L387 R392 T393 E394 | S386-L390 WeakPolarHBondContact O-CG 3.45Å; S386-L390 PolarHBondContact O-N 2.83Å; S386-L390 VanDerWaalsContact O-N 3.14Å; L387-L390 PolarHBondContact O-N 3.37Å; L390-R392 PolarHBondContact O-N 2.95Å; L390-T393 PolarHBondContact O-N 3.26Å; L390-T393 PolarHBondContact O-OG1 2.85Å; L390-E394 PolarHBondContact O-N 2.85Å; L390-E394 VanDerWaalsContact O-N 3.14Å |
| 391 | L | 83.8 | Confident | 81.6 | Confident | 109 Ų | 109 | 109.8 Ų | 109.8 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 177.2 | -173.7 | 68.2 | 0 | 0 | 0 | 112.2 | L387 E388 E389 E394 Q395 | L387-L391 WeakPolarHBondContact O-CB 3.39Å; L387-L391 PolarHBondContact O-N 3.47Å; E388-L391 PolarHBondContact O-N 3.37Å; E389-L391 VanDerWaalsContact C-N 3.32Å; E389-L391 PolarHBondContact O-N 2.92Å; L391-E394 PolarHBondContact O-N 2.84Å; L391-Q395 PolarHBondContact O-N 2.94Å |
| 392 | R | 81.8 | Confident | 81.3 | Confident | 191 Ų | 191 | 109.4 Ų | 109.4 | 72% | 0.721 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.4 | -43.7 | 175.5 | -78.8 | -152.3 | -161.3 | -152.4 | 9.4 | 112.3 | E388 E389 L390 E394 Q395 Q396 | E388-R392 PolarHBondContact O-N 3.33Å; E389-R392 PolarHBondContact O-N 2.88Å; L390-R392 PolarHBondContact O-N 2.95Å; R392-E394 VanDerWaalsContact C-N 3.26Å; R392-E394 PolarHBondContact O-N 3.42Å; R392-Q395 PolarHBondContact O-N 3.43Å; R392-Q396 WeakPolarHBondContact O-CB 3.45Å; R392-Q396 PolarHBondContact O-N 3.37Å |
| 393 | T | 78.6 | Confident | 81.1 | Confident | 82 Ų | 82 | 108.9 Ų | 108.9 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 180 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | E389 L390 Q396 R397 | E389-T393 WeakPolarHBondContact O-CG2 3.37Å; E389-T393 PolarHBondContact O-N 3.46Å; E389-T393 PolarHBondContact O-OG1 3.38Å; L390-T393 PolarHBondContact O-N 3.26Å; L390-T393 PolarHBondContact O-OG1 2.85Å; T393-Q396 PolarHBondContact O-N 3.46Å; T393-R397 PolarHBondContact O-N 3.39Å; T393-R397 VanDerWaalsContact O-N 3.08Å |
| 394 | E | 79.8 | Confident | 81 | Confident | 85 Ų | 85 | 111.5 Ų | 111.5 | 40% | 0.397 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.6 | -38.3 | 178.8 | -171.3 | 61 | -176 | 0 | 0 | 112.4 | L390 L391 R392 Q396 R397 L398 | L390-E394 PolarHBondContact O-N 2.85Å; L390-E394 VanDerWaalsContact O-N 3.14Å; L391-E394 PolarHBondContact O-N 2.84Å; R392-E394 VanDerWaalsContact C-N 3.26Å; R392-E394 PolarHBondContact O-N 3.42Å; E394-Q396 VanDerWaalsContact C-N 3.32Å; E394-Q396 PolarHBondContact O-N 2.9Å; E394-R397 WeakPolarHBondContact O-CB 3.49Å; E394-R397 PolarHBondContact O-N 2.62Å; E394-R397 IonicContact OE1-CZ 2.74Å; E394-R397 IonicContact OE1-NE 2.64Å; E394-R397 PolarHBondContact OE1-NE 3.44Å; E394-R397 IonicContact OE1-NH2 2.79Å; E394-R397 PolarHBondContact OE1-NH2 3.45Å; E394-R397 IonicContact OE2-CZ 3.42Å; E394-R397 IonicContact OE2-NE 2.86Å; E394-R397 PolarHBondContact OE2-NE 2.7Å; E394-R397 IonicContact OE2-NH2 2.67Å; E394-L398 PolarHBondContact O-N 3.39Å; E394-L398 VanDerWaalsContact O-N 3.07Å |
| 395 | Q | 81.3 | Confident | 80.5 | Confident | 117 Ų | 117 | 113.4 Ų | 113.4 | 55% | 0.547 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.3 | -43.7 | 170.9 | -77.8 | 175.7 | -23.9 | 0 | 0 | 111.6 | L391 R392 R397 L398 E399 | L391-Q395 PolarHBondContact O-N 2.94Å; R392-Q395 PolarHBondContact O-N 3.43Å; Q395-R397 VanDerWaalsContact C-N 3.31Å; Q395-R397 PolarHBondContact O-N 3.25Å; Q395-L398 PolarHBondContact O-N 2.82Å; Q395-E399 PolarHBondContact O-N 2.88Å |
| 396 | Q | 82.7 | Confident | 80.6 | Confident | 129 Ų | 129 | 116.1 Ų | 116.1 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.4 | -30.5 | 179.4 | -151.2 | 179.8 | 22.5 | 0 | 0 | 112.9 | R392 T393 E394 K400 | R392-Q396 WeakPolarHBondContact O-CB 3.45Å; R392-Q396 PolarHBondContact O-N 3.37Å; T393-Q396 PolarHBondContact O-N 3.46Å; E394-Q396 VanDerWaalsContact C-N 3.32Å; E394-Q396 PolarHBondContact O-N 2.9Å; Q396-K400 PolarHBondContact O-N 3.47Å |
| 397 | R | 83 | Confident | 80.5 | Confident | 145 Ų | 145 | 118 Ų | 118 | 55% | 0.547 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69 | -39.1 | 173 | -169.1 | 178.7 | 76.8 | 98.6 | 1.5 | 111.7 | T393 E394 Q395 N401 | T393-R397 PolarHBondContact O-N 3.39Å; T393-R397 VanDerWaalsContact O-N 3.08Å; E394-R397 WeakPolarHBondContact O-CB 3.49Å; E394-R397 PolarHBondContact O-N 2.62Å; E394-R397 IonicContact OE1-CZ 2.74Å; E394-R397 IonicContact OE1-NE 2.64Å; E394-R397 PolarHBondContact OE1-NE 3.44Å; E394-R397 IonicContact OE1-NH2 2.79Å; E394-R397 PolarHBondContact OE1-NH2 3.45Å; E394-R397 IonicContact OE2-CZ 3.42Å; E394-R397 IonicContact OE2-NE 2.86Å; E394-R397 PolarHBondContact OE2-NE 2.7Å; E394-R397 IonicContact OE2-NH2 2.67Å; Q395-R397 VanDerWaalsContact C-N 3.31Å; Q395-R397 PolarHBondContact O-N 3.25Å; R397-N401 PolarHBondContact O-N 2.77Å |
| 398 | L | 77.8 | Confident | 80.3 | Confident | 109 Ų | 109 | 117.7 Ų | 117.7 | 57% | 0.571 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71 | -42.1 | -179.6 | -151.1 | 148.2 | 0 | 0 | 0 | 111.4 | E394 Q395 K400 N401 E402 | E394-L398 PolarHBondContact O-N 3.39Å; E394-L398 VanDerWaalsContact O-N 3.07Å; Q395-L398 PolarHBondContact O-N 2.82Å; L398-K400 PolarHBondContact O-N 3.28Å; L398-N401 PolarHBondContact O-N 3.48Å; L398-N401 VanDerWaalsContact O-N 3.12Å; L398-E402 PolarHBondContact O-N 3.34Å; L398-E402 VanDerWaalsContact O-N 3.08Å |
| 399 | E | 79.1 | Confident | 80.2 | Confident | 121 Ų | 121 | 115.9 Ų | 115.9 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.4 | -43.1 | 175 | -170.5 | 165.2 | -152.3 | 0 | 0 | 112.1 | Q395 N401 E402 D403 | Q395-E399 PolarHBondContact O-N 2.88Å; E399-N401 VanDerWaalsContact C-N 3.33Å; E399-N401 PolarHBondContact O-N 3.29Å; E399-E402 PolarHBondContact O-N 2.9Å; E399-D403 PolarHBondContact O-N 2.92Å |
| 400 | K | 80.4 | Confident | 79.6 | Confident | 151 Ų | 151 | 115.3 Ų | 115.3 | 66% | 0.657 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.9 | -37.3 | 174 | -88.8 | -177.7 | 176.9 | 173.9 | 0 | 114.1 | Q396 L398 Q404 | Q396-K400 PolarHBondContact O-N 3.47Å; L398-K400 PolarHBondContact O-N 3.28Å; K400-Q404 PolarHBondContact O-N 2.8Å |
| 401 | N | 78 | Confident | 79.3 | Confident | 89 Ų | 89 | 116 Ų | 116 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.2 | -36.4 | 177.4 | -82.9 | -12.5 | 0 | 0 | 0 | 111.5 | R397 L398 E399 Q404 L405 | R397-N401 PolarHBondContact O-N 2.77Å; L398-N401 PolarHBondContact O-N 3.48Å; L398-N401 VanDerWaalsContact O-N 3.12Å; E399-N401 VanDerWaalsContact C-N 3.33Å; E399-N401 PolarHBondContact O-N 3.29Å; N401-Q404 PolarHBondContact O-N 3.45Å; N401-L405 PolarHBondContact O-N 2.91Å |
| 402 | E | 78.6 | Confident | 78.8 | Confident | 112 Ų | 112 | 117.6 Ų | 117.6 | 52% | 0.523 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.5 | -40.3 | 176.9 | -164.3 | 175.3 | 176.3 | 0 | 0 | 111.6 | L398 E399 Q404 L405 K406 | L398-E402 PolarHBondContact O-N 3.34Å; L398-E402 VanDerWaalsContact O-N 3.08Å; E399-E402 PolarHBondContact O-N 2.9Å; E402-Q404 PolarHBondContact O-N 3.39Å; E402-L405 WeakPolarHBondContact O-CB 3.35Å; E402-L405 PolarHBondContact O-N 3.49Å; E402-K406 PolarHBondContact O-N 3.43Å |
| 403 | D | 78.2 | Confident | 78.6 | Confident | 80 Ų | 80 | 114.5 Ų | 114.5 | 43% | 0.428 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -39.8 | 174.7 | -76.5 | -23.1 | 0 | 0 | 0 | 112.6 | E399 L405 K406 I407 | E399-D403 PolarHBondContact O-N 2.92Å; D403-L405 VanDerWaalsContact C-N 3.33Å; D403-L405 PolarHBondContact O-N 2.77Å; D403-K406 WeakPolarHBondContact O-CB 3.46Å; D403-K406 PolarHBondContact O-N 2.82Å; D403-I407 WeakPolarHBondContact O-CG1 3.48Å; D403-I407 PolarHBondContact O-N 2.89Å |
| 404 | Q | 80.1 | Confident | 78.5 | Confident | 130 Ų | 130 | 116.9 Ų | 116.9 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.7 | -39.4 | 174.1 | -75.4 | -168.1 | -12.5 | 0 | 0 | 112.4 | K400 N401 E402 I407 L408 | K400-Q404 PolarHBondContact O-N 2.8Å; N401-Q404 PolarHBondContact O-N 3.45Å; E402-Q404 PolarHBondContact O-N 3.39Å; Q404-I407 PolarHBondContact O-N 3.12Å; Q404-L408 PolarHBondContact O-N 3.14Å |
| 405 | L | 75.2 | Confident | 78 | Confident | 115 Ų | 115 | 119.7 Ų | 119.7 | 60% | 0.602 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.8 | -40.6 | 174.6 | -100.1 | 159.5 | 0 | 0 | 0 | 112.1 | N401 E402 D403 L408 T409 | N401-L405 PolarHBondContact O-N 2.91Å; E402-L405 WeakPolarHBondContact O-CB 3.35Å; E402-L405 PolarHBondContact O-N 3.49Å; D403-L405 VanDerWaalsContact C-N 3.33Å; D403-L405 PolarHBondContact O-N 2.77Å; L405-L408 PolarHBondContact O-N 3.39Å; L405-T409 WeakPolarHBondContact O-CB 3.45Å; L405-T409 PolarHBondContact O-N 2.89Å; L405-T409 PolarHBondContact O-OG1 3.36Å |
| 406 | K | 80.9 | Confident | 77.6 | Confident | 129 Ų | 129 | 117.6 Ų | 117.6 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.3 | -43.2 | 175.5 | -113.1 | 171.6 | -175.7 | 162.2 | 0 | 112.1 | E402 D403 T409 M410 | E402-K406 PolarHBondContact O-N 3.43Å; D403-K406 WeakPolarHBondContact O-CB 3.46Å; D403-K406 PolarHBondContact O-N 2.82Å; K406-T409 PolarHBondContact O-N 3.25Å; K406-M410 WeakPolarHBondContact O-CB 3.03Å; K406-M410 WeakPolarHBondContact O-CG 3.38Å; K406-M410 PolarHBondContact O-N 3.21Å |
| 407 | I | 81.2 | Confident | 76.8 | Confident | 100 Ų | 100 | 114.2 Ų | 114.2 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.3 | -49 | 177.8 | -68.6 | 164.3 | 0 | 0 | 0 | 110.9 | D403 Q404 T409 M410 E411 | D403-I407 WeakPolarHBondContact O-CG1 3.48Å; D403-I407 PolarHBondContact O-N 2.89Å; Q404-I407 PolarHBondContact O-N 3.12Å; I407-T409 VanDerWaalsContact C-N 3.3Å; I407-T409 PolarHBondContact O-N 3.47Å; I407-M410 PolarHBondContact O-N 3Å; I407-E411 PolarHBondContact O-N 3.13Å |
| 408 | L | 76.8 | Confident | 76.1 | Confident | 110 Ų | 110 | 111.1 Ų | 111.1 | 58% | 0.576 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60 | -39.7 | 176.4 | -97 | 148.2 | 0 | 0 | 0 | 112.4 | Q404 L405 E411 L412 | Q404-L408 PolarHBondContact O-N 3.14Å; L405-L408 PolarHBondContact O-N 3.39Å; L408-E411 PolarHBondContact O-N 2.96Å; L408-L412 PolarHBondContact O-N 2.95Å |
| 409 | T | 80.7 | Confident | 75.4 | Confident | 81 Ų | 81 | 112.1 Ų | 112.1 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66 | -44.2 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | L405 K406 I407 E411 L412 Q413 | L405-T409 WeakPolarHBondContact O-CB 3.45Å; L405-T409 PolarHBondContact O-N 2.89Å; L405-T409 PolarHBondContact O-OG1 3.36Å; K406-T409 PolarHBondContact O-N 3.25Å; I407-T409 VanDerWaalsContact C-N 3.3Å; I407-T409 PolarHBondContact O-N 3.47Å; T409-E411 VanDerWaalsContact C-N 3.35Å; T409-E411 PolarHBondContact O-N 2.99Å; T409-L412 PolarHBondContact O-N 2.91Å; T409-Q413 WeakPolarHBondContact O-CB 3.45Å; T409-Q413 PolarHBondContact O-N 3.45Å |
| 410 | M | 70.3 | Confident | 74.9 | Confident | 132 Ų | 132 | 111.2 Ų | 111.2 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.3 | -37.3 | 175.2 | -80 | -180 | 62.6 | 0 | 0 | 112.4 | K406 I407 Q413 K414 | K406-M410 WeakPolarHBondContact O-CB 3.03Å; K406-M410 WeakPolarHBondContact O-CG 3.38Å; K406-M410 PolarHBondContact O-N 3.21Å; I407-M410 PolarHBondContact O-N 3Å; M410-Q413 PolarHBondContact O-N 3.41Å; M410-K414 WeakPolarHBondContact O-CB 3.32Å; M410-K414 PolarHBondContact O-N 2.75Å |
| 411 | E | 76.8 | Confident | 74 | Confident | 120 Ų | 120 | 110.6 Ų | 110.6 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.3 | -41.2 | 175 | -78.5 | -174.5 | 160.7 | 0 | 0 | 112.3 | I407 L408 T409 K414 K415 | I407-E411 PolarHBondContact O-N 3.13Å; L408-E411 PolarHBondContact O-N 2.96Å; T409-E411 VanDerWaalsContact C-N 3.35Å; T409-E411 PolarHBondContact O-N 2.99Å; E411-K414 PolarHBondContact O-N 3.4Å; E411-K415 PolarHBondContact O-N 3.26Å |
| 412 | L | 74.4 | Confident | 72.9 | Confident | 141 Ų | 141 | 112.6 Ų | 112.6 | 74% | 0.738 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.5 | -43 | 176.4 | -146.4 | 110.1 | 0 | 0 | 0 | 111.2 | L408 T409 K415 S416 | L408-L412 PolarHBondContact O-N 2.95Å; T409-L412 PolarHBondContact O-N 2.91Å; L412-K415 PolarHBondContact O-N 2.79Å; L412-S416 PolarHBondContact O-N 3.32Å |
| 413 | Q | 76.3 | Confident | 71.9 | Confident | 126 Ų | 126 | 111.6 Ų | 111.6 | 59% | 0.589 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.9 | -40.3 | 178.9 | -154.8 | 175.1 | 1.1 | 0 | 0 | 111.3 | T409 M410 K415 S416 S417 | T409-Q413 WeakPolarHBondContact O-CB 3.45Å; T409-Q413 PolarHBondContact O-N 3.45Å; M410-Q413 PolarHBondContact O-N 3.41Å; Q413-K415 PolarHBondContact O-N 2.91Å; Q413-S416 WeakPolarHBondContact O-CB 3.31Å; Q413-S416 PolarHBondContact O-N 3.06Å; Q413-S417 PolarHBondContact O-N 2.75Å; Q413-S417 PolarHBondContact O-OG 3.33Å |
| 414 | K | 76.7 | Confident | 70.9 | Confident | 132 Ų | 132 | 113.1 Ų | 113.1 | 57% | 0.574 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.2 | -44.7 | 173.8 | -177.4 | 179.5 | 177.3 | -177 | 0 | 111.8 | M410 E411 S416 S417 E418 | M410-K414 WeakPolarHBondContact O-CB 3.32Å; M410-K414 PolarHBondContact O-N 2.75Å; E411-K414 PolarHBondContact O-N 3.4Å; K414-S416 VanDerWaalsContact C-N 3.32Å; K414-S416 PolarHBondContact O-N 2.72Å; K414-S417 PolarHBondContact O-N 3.21Å; K414-E418 WeakPolarHBondContact CE-OE1 3.39Å; K414-E418 WeakPolarHBondContact O-CB 3.5Å; K414-E418 WeakPolarHBondContact O-CG 3.46Å; K414-E418 PolarHBondContact O-N 2.9Å |
| 415 | K | 69.9 | Low | 70 | Confident | 144 Ų | 144 | 112.2 Ų | 112.2 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -34.1 | 176.1 | -76.4 | -73.9 | 165.6 | -149.6 | 0 | 112.9 | E411 L412 Q413 E418 L419 | E411-K415 PolarHBondContact O-N 3.26Å; L412-K415 PolarHBondContact O-N 2.79Å; Q413-K415 PolarHBondContact O-N 2.91Å; K415-E418 IonicContact NZ-OE2 3.6Å; K415-E418 PolarHBondContact NZ-OE2 3.27Å; K415-L419 PolarHBondContact O-N 2.93Å |
| 416 | S | 71.9 | Confident | 69.1 | Low | 73 Ų | 73 | 111.6 Ų | 111.6 | 51% | 0.51 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.4 | -45.1 | 171.7 | -178.2 | 0 | 0 | 0 | 0 | 112 | L412 Q413 K414 L419 E420 | L412-S416 PolarHBondContact O-N 3.32Å; Q413-S416 WeakPolarHBondContact O-CB 3.31Å; Q413-S416 PolarHBondContact O-N 3.06Å; K414-S416 VanDerWaalsContact C-N 3.32Å; K414-S416 PolarHBondContact O-N 2.72Å; S416-L419 PolarHBondContact O-N 2.89Å; S416-E420 PolarHBondContact O-N 2.82Å |
| 417 | S | 66 | Low | 68 | Low | 59 Ų | 59 | 110.5 Ų | 110.5 | 41% | 0.413 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.2 | -37.5 | 179.5 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | Q413 K414 L419 E420 E421 | Q413-S417 PolarHBondContact O-N 2.75Å; Q413-S417 PolarHBondContact O-OG 3.33Å; K414-S417 PolarHBondContact O-N 3.21Å; S417-L419 VanDerWaalsContact C-N 3.27Å; S417-L419 PolarHBondContact O-N 3.24Å; S417-E420 PolarHBondContact O-N 3.09Å; S417-E421 PolarHBondContact O-N 3.36Å |
| 418 | E | 68.9 | Low | 66.8 | Low | 80 Ų | 80 | 110.1 Ų | 110.1 | 37% | 0.374 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.3 | -34 | 174.7 | -76.5 | 172.2 | -174.5 | 0 | 0 | 112.2 | K414 K415 M422 | K414-E418 WeakPolarHBondContact CE-OE1 3.39Å; K414-E418 WeakPolarHBondContact O-CB 3.5Å; K414-E418 WeakPolarHBondContact O-CG 3.46Å; K414-E418 PolarHBondContact O-N 2.9Å; K415-E418 IonicContact NZ-OE2 3.6Å; K415-E418 PolarHBondContact NZ-OE2 3.27Å; E418-M422 PolarHBondContact O-N 2.94Å |
| 419 | L | 62.2 | Low | 65.8 | Low | 130 Ų | 130 | 112.9 Ų | 112.9 | 68% | 0.681 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.8 | -36.3 | 176.5 | -168.6 | 68.6 | 0 | 0 | 0 | 112.1 | K415 S416 S417 T423 | K415-L419 PolarHBondContact O-N 2.93Å; S416-L419 PolarHBondContact O-N 2.89Å; S417-L419 VanDerWaalsContact C-N 3.27Å; S417-L419 PolarHBondContact O-N 3.24Å; L419-T423 PolarHBondContact O-OG1 3.31Å; L419-T423 VanDerWaalsContact O-OG1 3.07Å |
| 420 | E | 68.9 | Low | 64.5 | Low | 101 Ų | 101 | 116.7 Ų | 116.7 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72 | -38.9 | 176 | -165.8 | 177.7 | 151.5 | 0 | 0 | 112 | S416 S417 M422 T423 K424 | S416-E420 PolarHBondContact O-N 2.82Å; S417-E420 PolarHBondContact O-N 3.09Å; E420-M422 PolarHBondContact O-N 3.08Å; E420-T423 WeakPolarHBondContact O-CB 3.46Å; E420-T423 PolarHBondContact O-N 3.4Å; E420-T423 VanDerWaalsContact O-N 3.09Å; E420-K424 HydrophobicContact CG-CD 4.49Å; E420-K424 PolarHBondContact O-N 2.78Å; E420-K424 IonicContact OE1-NZ 2.86Å; E420-K424 PolarHBondContact OE1-NZ 3.16Å |
| 421 | E | 61.1 | Low | 63.9 | Low | 138 Ų | 138 | 114.4 Ų | 114.4 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.6 | -36 | 176.7 | -80.5 | -151.5 | 154.2 | 0 | 0 | 113 | S417 T423 K424 L425 | S417-E421 PolarHBondContact O-N 3.36Å; E421-T423 PolarHBondContact O-N 3.36Å; E421-K424 PolarHBondContact O-N 3.28Å; E421-L425 WeakPolarHBondContact O-CB 3.48Å; E421-L425 PolarHBondContact O-N 3.47Å |
| 422 | M | 55 | Low | 62.8 | Low | 131 Ų | 131 | 115.2 Ų | 115.2 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.7 | -32.1 | 172 | -101.7 | -72.3 | -74.1 | 0 | 0 | 112.6 | E418 E420 T426 | E418-M422 PolarHBondContact O-N 2.94Å; E420-M422 PolarHBondContact O-N 3.08Å; M422-T426 PolarHBondContact O-OG1 2.77Å |
| 423 | T | 58.5 | Low | 61.4 | Low | 91 Ų | 91 | 115.3 Ų | 115.3 | 56% | 0.558 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -78.8 | -37.7 | 178.2 | -43 | 0 | 0 | 0 | 0 | 110.9 | L419 E420 E421 | L419-T423 PolarHBondContact O-OG1 3.31Å; L419-T423 VanDerWaalsContact O-OG1 3.07Å; E420-T423 WeakPolarHBondContact O-CB 3.46Å; E420-T423 PolarHBondContact O-N 3.4Å; E420-T423 VanDerWaalsContact O-N 3.09Å; E421-T423 PolarHBondContact O-N 3.36Å |
| 424 | K | 58.3 | Low | 60.2 | Low | 112 Ų | 112 | 114.3 Ų | 114.3 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.7 | -35.9 | 175.1 | -86 | 170.9 | 171.3 | 157.8 | 0 | 113.7 | E420 E421 T426 N427 N428 | E420-K424 HydrophobicContact CG-CD 4.49Å; E420-K424 PolarHBondContact O-N 2.78Å; E420-K424 IonicContact OE1-NZ 2.86Å; E420-K424 PolarHBondContact OE1-NZ 3.16Å; E421-K424 PolarHBondContact O-N 3.28Å; K424-T426 PolarHBondContact O-N 3.23Å; K424-N427 PolarHBondContact O-N 2.89Å; K424-N428 PolarHBondContact O-N 3.04Å |
| 425 | L | 60 | Low | 58.8 | Low | 112 Ų | 112 | 114.6 Ų | 114.6 | 59% | 0.586 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.2 | -23.6 | 180 | -170.3 | 67.5 | 0 | 0 | 0 | 112.7 | E421 | E421-L425 WeakPolarHBondContact O-CB 3.48Å; E421-L425 PolarHBondContact O-N 3.47Å |
| 426 | T | 56.3 | Low | 57.6 | Low | 102 Ų | 102 | 115.5 Ų | 115.5 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -76.3 | -35.4 | 171.6 | -45.9 | 0 | 0 | 0 | 0 | 111.5 | M422 K424 | M422-T426 PolarHBondContact O-OG1 2.77Å; K424-T426 PolarHBondContact O-N 3.23Å |
| 427 | N | 58.2 | Low | 56.5 | Low | 105 Ų | 105 | 119.1 Ų | 119.1 | 56% | 0.561 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -77.1 | -34.7 | 176.6 | -70.8 | -18.2 | 0 | 0 | 0 | 113.1 | K424 K429 E430 V431 | K424-N427 PolarHBondContact O-N 2.89Å; N427-K429 PolarHBondContact O-N 3.4Å; N427-E430 PolarHBondContact O-N 3.28Å; N427-E430 VanDerWaalsContact O-N 3.09Å; N427-V431 PolarHBondContact O-N 3.29Å |
| 428 | N | 56.2 | Low | 56.1 | Low | 92 Ų | 92 | 123.9 Ų | 123.9 | 49% | 0.492 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.7 | -26.6 | -174.3 | -90.3 | 9.3 | 0 | 0 | 0 | 114 | K424 E430 E432 | K424-N428 PolarHBondContact O-N 3.04Å; N428-E430 PolarHBondContact O-N 2.91Å; N428-E432 WeakPolarHBondContact O-CG 3.38Å; N428-E432 PolarHBondContact O-N 3.34Å |
| 429 | K | 55.6 | Low | 55.6 | Low | 169 Ų | 169 | 125.4 Ų | 125.4 | 74% | 0.735 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.2 | -11 | 171.4 | -80.4 | -176.6 | 175.3 | 177.5 | 0 | 114.1 | N427 | N427-K429 PolarHBondContact O-N 3.4Å |
| 430 | E | 53 | Low | 55 | Low | 160 Ų | 160 | 126.4 Ų | 126.4 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -101.5 | -24.1 | 177.8 | -167.9 | 140.2 | -170.8 | 0 | 0 | 112.9 | N427 N428 | N427-E430 PolarHBondContact O-N 3.28Å; N427-E430 VanDerWaalsContact O-N 3.09Å; N428-E430 PolarHBondContact O-N 2.91Å |
| 431 | V | 58.1 | Low | 54.1 | Low | 84 Ų | 84 | 123.6 Ų | 123.6 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -96.6 | -17.9 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 113.5 | N427 L433 E434 E435 | N427-V431 PolarHBondContact O-N 3.29Å; V431-L433 PolarHBondContact O-N 2.91Å; V431-E434 HydrophobicContact CG1-CB 4.31Å; V431-E434 WeakPolarHBondContact O-CA 3.25Å; V431-E434 WeakPolarHBondContact O-CB 3.48Å; V431-E434 PolarHBondContact O-N 2.96Å; V431-E435 PolarHBondContact O-N 2.95Å |
| 432 | E | 52.8 | Low | 53.7 | Low | 137 Ų | 137 | 123.3 Ų | 123.3 | 64% | 0.64 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -7.1 | 166.8 | -76.3 | -174.9 | 178.9 | 0 | 0 | 113.2 | N428 | N428-E432 WeakPolarHBondContact O-CG 3.38Å; N428-E432 PolarHBondContact O-N 3.34Å |
| 433 | L | 44.7 | Very low | 53.6 | Low | 143 Ų | 143 | 126 Ų | 126 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -14.7 | 164.2 | -89.4 | 168.6 | 0 | 0 | 0 | 114.4 | V431 | V431-L433 PolarHBondContact O-N 2.91Š|
| 434 | E | 51.5 | Low | 53.5 | Low | 106 Ų | 106 | 129.5 Ų | 129.5 | 50% | 0.495 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | -23.2 | -179.8 | -156.8 | 63 | -156 | 0 | 0 | 112.6 | V431 L436 K437 | V431-E434 HydrophobicContact CG1-CB 4.31Å; V431-E434 WeakPolarHBondContact O-CA 3.25Å; V431-E434 WeakPolarHBondContact O-CB 3.48Å; V431-E434 PolarHBondContact O-N 2.96Å; E434-L436 VanDerWaalsContact C-N 3.26Å; E434-L436 PolarHBondContact O-N 2.91Å; E434-K437 WeakPolarHBondContact O-CB 3.41Å; E434-K437 PolarHBondContact O-N 3.2Å; E434-K437 VanDerWaalsContact O-N 3.07Å; E434-K437 VanDerWaalsContact OE1-CD 3.26Å; E434-K437 WeakPolarHBondContact OE1-CD 3.17Å; E434-K437 IonicContact OE1-NZ 2.78Å |
| 435 | E | 48.3 | Very low | 53.9 | Low | 137 Ų | 137 | 128.8 Ų | 128.8 | 64% | 0.64 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.7 | -22 | 175 | -89.3 | -178.9 | 164 | 0 | 0 | 113.7 | V431 K437 | V431-E435 PolarHBondContact O-N 2.95Å; E435-K437 PolarHBondContact O-N 3.32Å |
| 436 | L | 43.6 | Very low | 53.9 | Low | 163 Ų | 163 | 129.5 Ų | 129.5 | 85% | 0.853 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.5 | -11.5 | 171.9 | -147 | 78.6 | 0 | 0 | 0 | 113.2 | E434 | E434-L436 VanDerWaalsContact C-N 3.26Å; E434-L436 PolarHBondContact O-N 2.91Å |
| 437 | K | 49.7 | Very low | 54.4 | Low | 150 Ų | 150 | 131.6 Ų | 131.6 | 65% | 0.652 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -97.7 | -22.5 | -176.6 | -150.5 | 179.4 | -173.8 | 178.4 | 0 | 113.6 | E434 E435 | E434-K437 WeakPolarHBondContact O-CB 3.41Å; E434-K437 PolarHBondContact O-N 3.2Å; E434-K437 VanDerWaalsContact O-N 3.07Å; E434-K437 VanDerWaalsContact OE1-CD 3.26Å; E434-K437 WeakPolarHBondContact OE1-CD 3.17Å; E434-K437 IonicContact OE1-NZ 2.78Å; E435-K437 PolarHBondContact O-N 3.32Å |
| 438 | K | 57.2 | Low | 54.9 | Low | 159 Ų | 159 | 134.4 Ų | 134.4 | 69% | 0.691 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -90.4 | -27.4 | -171.6 | -161.5 | 179.9 | 175.6 | -166.4 | 0 | 113.9 | L440 G441 | K438-L440 PolarHBondContact O-N 2.86Å; K438-L440 VanDerWaalsContact O-N 3.09Å; K438-G441 PolarHBondContact O-N 2.76Å |
| 439 | V | 59.1 | Low | 55.3 | Low | 112 Ų | 112 | 136.1 Ų | 136.1 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -12.5 | 178.2 | 178.4 | 0 | 0 | 0 | 0 | 113 | ||
| 440 | L | 49.5 | Very low | 56 | Low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -19.6 | 171.5 | -156.1 | 71.7 | 0 | 0 | 0 | 113.3 | K438 | K438-L440 PolarHBondContact O-N 2.86Å; K438-L440 VanDerWaalsContact O-N 3.09Å |
| 441 | G | 49.8 | Very low | 57.1 | Low | 43 Ų | 43 | 134 Ų | 134 | 44% | 0.443 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -86.1 | -19.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K438 K443 | K438-G441 PolarHBondContact O-N 2.76Å; G441-K443 PolarHBondContact O-N 3.06Å |
| 442 | E | 52.9 | Low | 57.9 | Low | 132 Ų | 132 | 134.8 Ų | 134.8 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -3.9 | -175.7 | -70 | 175.8 | 169.7 | 0 | 0 | 113.5 | ||
| 443 | K | 51.6 | Low | 58.6 | Low | 186 Ų | 186 | 135.7 Ų | 135.7 | 81% | 0.809 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -16.7 | 177.7 | -175.3 | 169.7 | 172.9 | 165.1 | 0 | 114.2 | G441 | G441-K443 PolarHBondContact O-N 3.06Š|
| 444 | E | 58.3 | Low | 60 | Low | 165 Ų | 165 | 135.8 Ų | 135.8 | 77% | 0.771 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -95.8 | -17.1 | -175.1 | -82 | 174.8 | 151.2 | 0 | 0 | 114.8 | ||
| 445 | T | 66.3 | Low | 61.3 | Low | 97 Ų | 97 | 137.3 Ų | 137.3 | 60% | 0.595 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -84.1 | -31.2 | -175.3 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | L447 Y448 | T445-L447 PolarHBondContact O-N 3.36Å; T445-L447 VanDerWaalsContact O-N 3.12Å; T445-Y448 PolarHBondContact O-N 2.73Å |
| 446 | L | 58.5 | Low | 62.9 | Low | 128 Ų | 128 | 136 Ų | 136 | 67% | 0.67 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -62.5 | -16.8 | 176.9 | -85.8 | 162.1 | 0 | 0 | 0 | 114.2 | Y448 | L446-Y448 VanDerWaalsContact C-N 3.35Å |
| 447 | L | 66.8 | Low | 64.5 | Low | 145 Ų | 145 | 131.2 Ų | 131.2 | 76% | 0.759 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.3 | -18.9 | 178.7 | -154.9 | 86.3 | 0 | 0 | 0 | 112.9 | T445 | T445-L447 PolarHBondContact O-N 3.36Å; T445-L447 VanDerWaalsContact O-N 3.12Å |
| 448 | Y | 69.7 | Low | 65.7 | Low | 165 Ų | 165 | 131.2 Ų | 131.2 | 65% | 0.647 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -85.6 | -33.6 | -173.7 | -176.7 | -104.8 | 0 | 0 | 0 | 113.3 | T445 L446 N450 | T445-Y448 PolarHBondContact O-N 2.73Å; L446-Y448 VanDerWaalsContact C-N 3.35Å; Y448-N450 PolarHBondContact O-N 3.34Å |
| 449 | E | 65 | Low | 66.8 | Low | 127 Ų | 127 | 130.2 Ų | 130.2 | 59% | 0.593 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.8 | -29.1 | -177.1 | -70.7 | 178.5 | 153.5 | 0 | 0 | 113.4 | K451 | E449-K451 VanDerWaalsContact C-N 3.35Å; E449-K451 PolarHBondContact O-N 2.8Å |
| 450 | N | 70.5 | Confident | 67.7 | Low | 126 Ų | 126 | 130.5 Ų | 130.5 | 67% | 0.674 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.9 | -25.3 | -177.4 | -159.3 | 31 | 0 | 0 | 0 | 113.6 | Y448 | Y448-N450 PolarHBondContact O-N 3.34Å |
| 451 | K | 75.1 | Confident | 69.2 | Low | 159 Ų | 159 | 130.5 Ų | 130.5 | 69% | 0.691 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.4 | -19.9 | -179.9 | -84.9 | -176.6 | 175.2 | 178.6 | 0 | 114.4 | E449 | E449-K451 VanDerWaalsContact C-N 3.35Å; E449-K451 PolarHBondContact O-N 2.8Å |
| 452 | Q | 75.5 | Confident | 70.6 | Confident | 101 Ų | 101 | 130.6 Ų | 130.6 | 47% | 0.472 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -81.5 | -30.6 | -178.1 | -67.1 | -65.1 | -27.8 | 0 | 0 | 112.4 | E454 | Q452-E454 VanDerWaalsContact C-N 3.31Å; Q452-E454 PolarHBondContact O-N 2.93Å |
| 453 | F | 67.2 | Low | 71.8 | Confident | 156 Ų | 156 | 128 Ų | 128 | 68% | 0.684 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.2 | -30 | 178.8 | -78.3 | -69.7 | 0 | 0 | 0 | 113.6 | ||
| 454 | E | 74.2 | Confident | 73 | Confident | 145 Ų | 145 | 124.9 Ų | 124.9 | 68% | 0.678 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.2 | -30.2 | -177.2 | -159.5 | 155.1 | -158.4 | 0 | 0 | 112.6 | Q452 | Q452-E454 VanDerWaalsContact C-N 3.31Å; Q452-E454 PolarHBondContact O-N 2.93Å |
| 455 | K | 78.8 | Confident | 74 | Confident | 138 Ų | 138 | 124 Ų | 124 | 60% | 0.6 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.9 | -32.9 | -177.7 | -158.3 | 179.8 | -176.4 | -171.1 | 0 | 113.8 | ||
| 456 | I | 80.9 | Confident | 74.6 | Confident | 108 Ų | 108 | 126.4 Ų | 126.4 | 55% | 0.554 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.5 | -29.4 | -179.2 | -62.9 | 172.6 | 0 | 0 | 0 | 111.1 | E458 | I456-E458 PolarHBondContact O-N 2.86Å |
| 457 | A | 77.3 | Confident | 75.6 | Confident | 63 Ų | 63 | 125.6 Ų | 125.6 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.5 | -31.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 458 | E | 76.7 | Confident | 76.5 | Confident | 150 Ų | 150 | 122.9 Ų | 122.9 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.7 | -35.3 | 179.1 | -79.6 | -178.7 | 146 | 0 | 0 | 113.2 | I456 L460 K461 G462 | I456-E458 PolarHBondContact O-N 2.86Å; E458-L460 VanDerWaalsContact C-N 3.32Å; E458-L460 PolarHBondContact O-N 3.42Å; E458-K461 PolarHBondContact O-N 2.89Å; E458-G462 PolarHBondContact O-N 3.21Å |
| 459 | E | 79.2 | Confident | 77.1 | Confident | 138 Ų | 138 | 117 Ų | 117 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.5 | -38.1 | 176.1 | -71.7 | -179.7 | 174.2 | 0 | 0 | 111.8 | K461 G462 T463 | E459-K461 VanDerWaalsContact C-N 3.33Å; E459-K461 PolarHBondContact O-N 2.83Å; E459-G462 PolarHBondContact O-N 2.87Å; E459-T463 PolarHBondContact O-N 3.01Å |
| 460 | L | 78.2 | Confident | 78 | Confident | 119 Ų | 119 | 116.7 Ų | 116.7 | 62% | 0.623 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.5 | -39.8 | 175.8 | -104.7 | 154.3 | 0 | 0 | 0 | 112.5 | E458 T463 E464 | E458-L460 VanDerWaalsContact C-N 3.32Å; E458-L460 PolarHBondContact O-N 3.42Å; L460-T463 PolarHBondContact O-OG1 3.23Å; L460-E464 PolarHBondContact O-N 3.32Å |
| 461 | K | 80.3 | Confident | 78.6 | Confident | 149 Ų | 149 | 116.1 Ų | 116.1 | 65% | 0.648 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.9 | -31.3 | -178.4 | -164.4 | 178.3 | -176.5 | -178 | 0 | 113.3 | E458 E459 | E458-K461 PolarHBondContact O-N 2.89Å; E459-K461 VanDerWaalsContact C-N 3.33Å; E459-K461 PolarHBondContact O-N 2.83Å |
| 462 | G | 80.3 | Confident | 79 | Confident | 45 Ų | 45 | 114.3 Ų | 114.3 | 46% | 0.464 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E458 E459 E464 Q465 | E458-G462 PolarHBondContact O-N 3.21Å; E459-G462 PolarHBondContact O-N 2.87Å; G462-E464 VanDerWaalsContact C-N 3.27Å; G462-E464 PolarHBondContact O-N 2.86Å; G462-Q465 PolarHBondContact O-N 2.85Å |
| 463 | T | 77 | Confident | 79.3 | Confident | 79 Ų | 79 | 112.3 Ų | 112.3 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.4 | -28.6 | 178.9 | 62 | 0 | 0 | 0 | 0 | 113.4 | E459 L460 L467 | E459-T463 PolarHBondContact O-N 3.01Å; L460-T463 PolarHBondContact O-OG1 3.23Å; T463-L467 PolarHBondContact O-N 3.08Å |
| 464 | E | 77.3 | Confident | 79.9 | Confident | 119 Ų | 119 | 112 Ų | 112 | 56% | 0.556 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.9 | -38.6 | 176.2 | -170.8 | -179.4 | -175.9 | 0 | 0 | 112.3 | L460 G462 L467 I468 | L460-E464 PolarHBondContact O-N 3.32Å; G462-E464 VanDerWaalsContact C-N 3.27Å; G462-E464 PolarHBondContact O-N 2.86Å; E464-L467 PolarHBondContact O-N 3.19Å; E464-I468 WeakPolarHBondContact O-CG1 3.48Å; E464-I468 PolarHBondContact O-N 3.21Å |
| 465 | Q | 78.5 | Confident | 80.4 | Confident | 146 Ų | 146 | 111.7 Ų | 111.7 | 68% | 0.682 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.1 | -34.1 | -179.3 | -79 | -165 | -15.8 | 0 | 0 | 113.8 | G462 L467 I468 G469 | G462-Q465 PolarHBondContact O-N 2.85Å; Q465-L467 VanDerWaalsContact C-N 3.34Å; Q465-I468 PolarHBondContact O-N 3.17Å; Q465-G469 PolarHBondContact O-N 3.43Å |
| 466 | E | 79.5 | Confident | 80.5 | Confident | 148 Ų | 148 | 113 Ų | 113 | 69% | 0.692 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.5 | -38 | 174.6 | -85.7 | -175.3 | 152.7 | 0 | 0 | 112.3 | I468 G469 L470 | E466-I468 VanDerWaalsContact C-N 3.31Å; E466-I468 PolarHBondContact O-N 2.84Å; E466-G469 PolarHBondContact O-N 3.4Å; E466-L470 PolarHBondContact O-N 2.77Å |
| 467 | L | 80.5 | Confident | 80.6 | Confident | 112 Ų | 112 | 112.7 Ų | 112.7 | 59% | 0.586 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.6 | -37.3 | 175.8 | -83.9 | 162.5 | 0 | 0 | 0 | 112.3 | T463 E464 Q465 L470 L471 | T463-L467 PolarHBondContact O-N 3.08Å; E464-L467 PolarHBondContact O-N 3.19Å; Q465-L467 VanDerWaalsContact C-N 3.34Å; L467-L470 PolarHBondContact O-N 3.34Å; L467-L471 WeakPolarHBondContact O-CB 3.36Å; L467-L471 WeakPolarHBondContact O-CG 3.25Å; L467-L471 PolarHBondContact O-N 2.84Å |
| 468 | I | 85 | Confident | 80.8 | Confident | 87 Ų | 87 | 113.5 Ų | 113.5 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.5 | -42.4 | 178.6 | -66.9 | 167.9 | 0 | 0 | 0 | 111.1 | E464 Q465 E466 L471 Q472 | E464-I468 WeakPolarHBondContact O-CG1 3.48Å; E464-I468 PolarHBondContact O-N 3.21Å; Q465-I468 PolarHBondContact O-N 3.17Å; E466-I468 VanDerWaalsContact C-N 3.31Å; E466-I468 PolarHBondContact O-N 2.84Å; I468-L471 PolarHBondContact O-N 3.18Å; I468-Q472 PolarHBondContact O-N 2.86Å; I468-Q472 VanDerWaalsContact O-N 3.16Å |
| 469 | G | 81.3 | Confident | 81.2 | Confident | 42 Ų | 42 | 111.7 Ų | 111.7 | 43% | 0.433 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.1 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q465 E466 Q472 A473 | Q465-G469 PolarHBondContact O-N 3.43Å; E466-G469 PolarHBondContact O-N 3.4Å; G469-Q472 PolarHBondContact O-N 3.11Å; G469-A473 PolarHBondContact O-N 3.39Å |
| 470 | L | 84.5 | Confident | 81.5 | Confident | 121 Ų | 121 | 109.7 Ų | 109.7 | 63% | 0.634 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.4 | -36.9 | 175.2 | -81.4 | 164.1 | 0 | 0 | 0 | 112.5 | E466 L467 A473 R474 | E466-L470 PolarHBondContact O-N 2.77Å; L467-L470 PolarHBondContact O-N 3.34Å; L470-A473 PolarHBondContact O-N 3.18Å; L470-R474 PolarHBondContact O-N 2.84Å |
| 471 | L | 82.8 | Confident | 81.8 | Confident | 113 Ų | 113 | 108.4 Ų | 108.4 | 59% | 0.592 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.9 | -43.6 | 176.1 | -83.8 | 166 | 0 | 0 | 0 | 112.3 | L467 I468 A473 R474 E475 | L467-L471 WeakPolarHBondContact O-CB 3.36Å; L467-L471 WeakPolarHBondContact O-CG 3.25Å; L467-L471 PolarHBondContact O-N 2.84Å; I468-L471 PolarHBondContact O-N 3.18Å; L471-A473 PolarHBondContact O-N 2.93Å; L471-R474 CarbonylContact O-C 3.59Å; L471-R474 WeakPolarHBondContact O-CB 3.37Å; L471-R474 PolarHBondContact O-N 3.43Å; L471-E475 PolarHBondContact O-N 3.49Å |
| 472 | Q | 83.2 | Confident | 82.1 | Confident | 122 Ų | 122 | 106.5 Ų | 106.5 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.7 | -35.5 | 179.1 | -73.2 | -175 | -22.7 | 0 | 0 | 113.2 | I468 G469 E475 K476 | I468-Q472 PolarHBondContact O-N 2.86Å; I468-Q472 VanDerWaalsContact O-N 3.16Å; G469-Q472 PolarHBondContact O-N 3.11Å; Q472-E475 PolarHBondContact O-N 2.82Å; Q472-K476 PolarHBondContact O-N 3.39Å |
| 473 | A | 83 | Confident | 82.3 | Confident | 59 Ų | 59 | 108.6 Ų | 108.6 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G469 L470 L471 E475 K476 E477 | G469-A473 PolarHBondContact O-N 3.39Å; L470-A473 PolarHBondContact O-N 3.18Å; L471-A473 PolarHBondContact O-N 2.93Å; A473-E475 VanDerWaalsContact C-N 3.35Å; A473-K476 PolarHBondContact O-N 2.79Å; A473-E477 PolarHBondContact O-N 3.41Å |
| 474 | R | 80.6 | Confident | 82.8 | Confident | 150 Ų | 150 | 109.8 Ų | 109.8 | 57% | 0.566 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.8 | -36.7 | 174.4 | -94.3 | -70.2 | 162.9 | -176.8 | -6.8 | 113.3 | L470 L471 K476 E477 V478 | L470-R474 PolarHBondContact O-N 2.84Å; L471-R474 CarbonylContact O-C 3.59Å; L471-R474 WeakPolarHBondContact O-CB 3.37Å; L471-R474 PolarHBondContact O-N 3.43Å; R474-K476 VanDerWaalsContact C-N 3.34Å; R474-K476 PolarHBondContact O-N 2.79Å; R474-E477 IonicContact CZ-OE2 3.35Å; R474-E477 IonicContact NE-OE2 3.63Å; R474-E477 PolarHBondContact NE-OE2 2.64Å; R474-E477 IonicContact NH1-OE2 3.08Å; R474-E477 PolarHBondContact NH1-OE2 3.28Å; R474-E477 IonicContact NH2-OE2 3.64Å; R474-E477 PolarHBondContact NH2-OE2 3.01Å; R474-E477 PolarHBondContact O-N 2.85Å; R474-V478 VanDerWaalsContact O-CG2 3.27Å; R474-V478 WeakPolarHBondContact O-CG2 3.37Å; R474-V478 PolarHBondContact O-N 3.31Å |
| 475 | E | 82.7 | Confident | 83.1 | Confident | 137 Ų | 137 | 109.2 Ų | 109.2 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 176.6 | -118 | 176.5 | 171.7 | 0 | 0 | 112.1 | L471 Q472 A473 V478 H479 | L471-E475 PolarHBondContact O-N 3.49Å; Q472-E475 PolarHBondContact O-N 2.82Å; A473-E475 VanDerWaalsContact C-N 3.35Å; E475-V478 PolarHBondContact O-N 3.36Å; E475-H479 PolarHBondContact O-N 3.49Å |
| 476 | K | 80.8 | Confident | 83.3 | Confident | 167 Ų | 167 | 106.1 Ų | 106.1 | 73% | 0.726 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67 | -41.1 | 176.7 | -72.7 | -174.5 | -180 | 179.3 | 0 | 113 | Q472 A473 R474 V478 H479 D480 | Q472-K476 PolarHBondContact O-N 3.39Å; A473-K476 PolarHBondContact O-N 2.79Å; R474-K476 VanDerWaalsContact C-N 3.34Å; R474-K476 PolarHBondContact O-N 2.79Å; K476-V478 VanDerWaalsContact C-N 3.34Å; K476-H479 PolarHBondContact O-N 3Å; K476-D480 PolarHBondContact O-N 2.84Å; K476-D480 VanDerWaalsContact O-N 3.1Å |
| 477 | E | 84.4 | Confident | 83.5 | Confident | 100 Ų | 100 | 101.9 Ų | 101.9 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 173.2 | -86.8 | -175.5 | 165.8 | 0 | 0 | 111.9 | A473 R474 H479 D480 L481 | A473-E477 PolarHBondContact O-N 3.41Å; R474-E477 IonicContact CZ-OE2 3.35Å; R474-E477 IonicContact NE-OE2 3.63Å; R474-E477 PolarHBondContact NE-OE2 2.64Å; R474-E477 IonicContact NH1-OE2 3.08Å; R474-E477 PolarHBondContact NH1-OE2 3.28Å; R474-E477 IonicContact NH2-OE2 3.64Å; R474-E477 PolarHBondContact NH2-OE2 3.01Å; R474-E477 PolarHBondContact O-N 2.85Å; E477-H479 VanDerWaalsContact C-N 3.32Å; E477-H479 PolarHBondContact O-N 2.78Å; E477-D480 PolarHBondContact O-N 3.39Å; E477-L481 WeakPolarHBondContact O-CB 3.33Å; E477-L481 WeakPolarHBondContact O-CG 3.5Å; E477-L481 PolarHBondContact O-N 2.87Å |
| 478 | V | 81.5 | Confident | 83.7 | Confident | 81 Ų | 81 | 101.1 Ų | 101.1 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | R474 E475 K476 L481 E482 | R474-V478 VanDerWaalsContact O-CG2 3.27Å; R474-V478 WeakPolarHBondContact O-CG2 3.37Å; R474-V478 PolarHBondContact O-N 3.31Å; E475-V478 PolarHBondContact O-N 3.36Å; K476-V478 VanDerWaalsContact C-N 3.34Å; V478-L481 PolarHBondContact O-N 3.14Å; V478-E482 VanDerWaalsContact O-CB 3.32Å; V478-E482 WeakPolarHBondContact O-CB 3.33Å; V478-E482 PolarHBondContact O-N 2.78Å |
| 479 | H | 84.2 | Confident | 83.7 | Confident | 111 Ų | 111 | 100 Ų | 100 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 179.1 | -166.5 | 57.8 | 0 | 0 | 0 | 113.2 | E475 K476 E477 E482 I483 | E475-H479 PolarHBondContact O-N 3.49Å; K476-H479 PolarHBondContact O-N 3Å; E477-H479 VanDerWaalsContact C-N 3.32Å; E477-H479 PolarHBondContact O-N 2.78Å; H479-E482 IonicContact ND1-OE2 2.75Å; H479-E482 PolarHBondContact ND1-OE2 3.27Å; H479-E482 WeakPolarHBondContact O-CB 3.47Å; H479-E482 PolarHBondContact O-N 3.17Å; H479-I483 WeakPolarHBondContact O-CG1 3.19Å; H479-I483 PolarHBondContact O-N 2.73Å; H479-I483 VanDerWaalsContact O-N 3.09Å |
| 480 | D | 87 | Confident | 83.8 | Confident | 97 Ų | 97 | 102.7 Ų | 102.7 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68 | -38.5 | 176.4 | -156 | 58.4 | 0 | 0 | 0 | 111.7 | K476 E477 E482 I483 Q484 | K476-D480 PolarHBondContact O-N 2.84Å; K476-D480 VanDerWaalsContact O-N 3.1Å; E477-D480 PolarHBondContact O-N 3.39Å; D480-E482 VanDerWaalsContact C-N 3.32Å; D480-E482 PolarHBondContact O-N 2.79Å; D480-I483 PolarHBondContact O-N 2.86Å; D480-Q484 PolarHBondContact O-N 2.9Å; D480-Q484 VanDerWaalsContact O-N 3.15Å |
| 481 | L | 83.7 | Confident | 83.7 | Confident | 91 Ų | 91 | 99.3 Ų | 99.3 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 170.4 | -72.7 | 173 | 0 | 0 | 0 | 112.3 | E477 V478 I483 Q484 L485 | E477-L481 WeakPolarHBondContact O-CB 3.33Å; E477-L481 WeakPolarHBondContact O-CG 3.5Å; E477-L481 PolarHBondContact O-N 2.87Å; V478-L481 PolarHBondContact O-N 3.14Å; L481-I483 VanDerWaalsContact C-N 3.34Å; L481-Q484 PolarHBondContact O-N 3.23Å; L481-L485 WeakPolarHBondContact O-CB 3.45Å; L481-L485 VanDerWaalsContact O-CG 3.28Å; L481-L485 WeakPolarHBondContact O-CG 3.4Å; L481-L485 PolarHBondContact O-N 3.5Å |
| 482 | E | 85.7 | Confident | 83.7 | Confident | 109 Ų | 109 | 100 Ų | 100 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 176.8 | -169.4 | 174.6 | -154.4 | 0 | 0 | 111.8 | V478 H479 D480 L485 T486 | V478-E482 VanDerWaalsContact O-CB 3.32Å; V478-E482 WeakPolarHBondContact O-CB 3.33Å; V478-E482 PolarHBondContact O-N 2.78Å; H479-E482 IonicContact ND1-OE2 2.75Å; H479-E482 PolarHBondContact ND1-OE2 3.27Å; H479-E482 WeakPolarHBondContact O-CB 3.47Å; H479-E482 PolarHBondContact O-N 3.17Å; D480-E482 VanDerWaalsContact C-N 3.32Å; D480-E482 PolarHBondContact O-N 2.79Å; E482-L485 PolarHBondContact O-N 3.32Å; E482-T486 PolarHBondContact O-N 3.48Å; E482-T486 PolarHBondContact O-OG1 2.8Å |
| 483 | I | 85.4 | Confident | 83.8 | Confident | 90 Ų | 90 | 100.7 Ų | 100.7 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 173.1 | -65.4 | 168.7 | 0 | 0 | 0 | 111 | H479 D480 L481 T486 A487 | H479-I483 WeakPolarHBondContact O-CG1 3.19Å; H479-I483 PolarHBondContact O-N 2.73Å; H479-I483 VanDerWaalsContact O-N 3.09Å; D480-I483 PolarHBondContact O-N 2.86Å; L481-I483 VanDerWaalsContact C-N 3.34Å; I483-T486 VanDerWaalsContact CA-OG1 3.31Å; I483-T486 WeakPolarHBondContact CA-OG1 3.23Å; I483-T486 PolarHBondContact O-N 2.79Å; I483-T486 PolarHBondContact O-OG1 3.32Å; I483-A487 PolarHBondContact O-N 3.35Å |
| 484 | Q | 87.9 | Confident | 83.9 | Confident | 104 Ų | 104 | 105.3 Ų | 105.3 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 175.7 | -68.3 | -176.3 | 35.8 | 0 | 0 | 111.9 | D480 L481 A487 I488 | D480-Q484 PolarHBondContact O-N 2.9Å; D480-Q484 VanDerWaalsContact O-N 3.15Å; L481-Q484 PolarHBondContact O-N 3.23Å; Q484-A487 PolarHBondContact O-N 2.9Å; Q484-I488 VanDerWaalsContact O-CG1 3.31Å; Q484-I488 WeakPolarHBondContact O-CG1 3.17Å; Q484-I488 PolarHBondContact O-N 2.78Å |
| 485 | L | 82.7 | Confident | 83.9 | Confident | 107 Ų | 107 | 105 Ų | 105 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.6 | -40.3 | 175.5 | -77.9 | 170.6 | 0 | 0 | 0 | 111.6 | L481 E482 I488 T489 | L481-L485 WeakPolarHBondContact O-CB 3.45Å; L481-L485 VanDerWaalsContact O-CG 3.28Å; L481-L485 WeakPolarHBondContact O-CG 3.4Å; L481-L485 PolarHBondContact O-N 3.5Å; E482-L485 PolarHBondContact O-N 3.32Å; L485-I488 PolarHBondContact O-N 2.95Å; L485-T489 WeakPolarHBondContact O-CB 3.33Å; L485-T489 PolarHBondContact O-N 3.32Å; L485-T489 PolarHBondContact O-OG1 3.33Å |
| 486 | T | 83.8 | Confident | 84 | Confident | 81 Ų | 81 | 101.4 Ų | 101.4 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 175.8 | 29.5 | 0 | 0 | 0 | 0 | 112 | E482 I483 T489 T490 | E482-T486 PolarHBondContact O-N 3.48Å; E482-T486 PolarHBondContact O-OG1 2.8Å; I483-T486 VanDerWaalsContact CA-OG1 3.31Å; I483-T486 WeakPolarHBondContact CA-OG1 3.23Å; I483-T486 PolarHBondContact O-N 2.79Å; I483-T486 PolarHBondContact O-OG1 3.32Å; T486-T489 PolarHBondContact O-N 2.84Å; T486-T490 WeakPolarHBondContact O-CG2 3.31Å; T486-T490 PolarHBondContact O-N 3.29Å; T486-T490 PolarHBondContact O-OG1 3.44Å |
| 487 | A | 83.3 | Confident | 84.2 | Confident | 58 Ų | 58 | 100.3 Ų | 100.3 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | I483 Q484 T489 T490 S491 | I483-A487 PolarHBondContact O-N 3.35Å; Q484-A487 PolarHBondContact O-N 2.9Å; A487-T489 VanDerWaalsContact C-N 3.35Å; A487-T489 PolarHBondContact O-N 2.93Å; A487-T490 PolarHBondContact O-N 2.92Å; A487-T490 PolarHBondContact O-OG1 3.23Å; A487-S491 PolarHBondContact O-N 3.4Å; A487-S491 VanDerWaalsContact O-N 3.1Å |
| 488 | I | 84.8 | Confident | 84.4 | Confident | 96 Ų | 96 | 99.7 Ų | 99.7 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175.1 | -68.4 | 167.4 | 0 | 0 | 0 | 110.3 | Q484 L485 T490 S491 E492 | Q484-I488 VanDerWaalsContact O-CG1 3.31Å; Q484-I488 WeakPolarHBondContact O-CG1 3.17Å; Q484-I488 PolarHBondContact O-N 2.78Å; L485-I488 PolarHBondContact O-N 2.95Å; I488-T490 VanDerWaalsContact C-N 3.32Å; I488-T490 PolarHBondContact O-N 3.47Å; I488-S491 CarbonylContact O-C 3.6Å; I488-S491 PolarHBondContact O-N 2.79Å; I488-S491 VanDerWaalsContact O-N 3.14Å; I488-S491 PolarHBondContact O-OG 3.43Å; I488-E492 WeakPolarHBondContact O-CB 3.31Å; I488-E492 PolarHBondContact O-N 2.78Å |
| 489 | T | 85.2 | Confident | 84.4 | Confident | 65 Ų | 65 | 100.2 Ų | 100.2 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -41 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | L485 T486 A487 E492 Q493 | L485-T489 WeakPolarHBondContact O-CB 3.33Å; L485-T489 PolarHBondContact O-N 3.32Å; L485-T489 PolarHBondContact O-OG1 3.33Å; T486-T489 PolarHBondContact O-N 2.84Å; A487-T489 VanDerWaalsContact C-N 3.35Å; A487-T489 PolarHBondContact O-N 2.93Å; T489-E492 PolarHBondContact O-N 2.7Å; T489-Q493 WeakPolarHBondContact O-CB 3.37Å; T489-Q493 WeakPolarHBondContact O-CG 3.44Å; T489-Q493 PolarHBondContact O-N 3.15Å |
| 490 | T | 83 | Confident | 84.5 | Confident | 97 Ų | 97 | 101.5 Ų | 101.5 | 60% | 0.595 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.7 | -38.6 | 176.5 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | T486 A487 I488 Y494 | T486-T490 WeakPolarHBondContact O-CG2 3.31Å; T486-T490 PolarHBondContact O-N 3.29Å; T486-T490 PolarHBondContact O-OG1 3.44Å; A487-T490 PolarHBondContact O-N 2.92Å; A487-T490 PolarHBondContact O-OG1 3.23Å; I488-T490 VanDerWaalsContact C-N 3.32Å; I488-T490 PolarHBondContact O-N 3.47Å; T490-Y494 PolarHBondContact O-N 3.37Å |
| 491 | S | 82.1 | Confident | 84.5 | Confident | 50 Ų | 50 | 101.4 Ų | 101.4 | 35% | 0.35 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.2 | -36.9 | 173.6 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | A487 I488 Y494 Y495 | A487-S491 PolarHBondContact O-N 3.4Å; A487-S491 VanDerWaalsContact O-N 3.1Å; I488-S491 CarbonylContact O-C 3.6Å; I488-S491 PolarHBondContact O-N 2.79Å; I488-S491 VanDerWaalsContact O-N 3.14Å; I488-S491 PolarHBondContact O-OG 3.43Å; S491-Y494 WeakPolarHBondContact O-CB 3.33Å; S491-Y494 PolarHBondContact O-N 3.4Å; S491-Y495 WeakPolarHBondContact O-CD2 3.47Å; S491-Y495 PolarHBondContact O-N 3.22Å |
| 492 | E | 82.7 | Confident | 84.7 | Confident | 127 Ų | 127 | 101.7 Ų | 101.7 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.8 | -38.9 | 177 | -169.3 | -179.8 | -166.6 | 0 | 0 | 110.8 | I488 T489 Y494 Y495 S496 | I488-E492 WeakPolarHBondContact O-CB 3.31Å; I488-E492 PolarHBondContact O-N 2.78Å; T489-E492 PolarHBondContact O-N 2.7Å; E492-Y494 VanDerWaalsContact C-N 3.33Å; E492-Y494 PolarHBondContact O-N 2.88Å; E492-Y495 PolarHBondContact O-N 2.86Å; E492-S496 WeakPolarHBondContact O-CA 3.28Å; E492-S496 WeakPolarHBondContact O-CB 3.31Å; E492-S496 PolarHBondContact O-N 3.36Å |
| 493 | Q | 85 | Confident | 85 | Confident | 137 Ų | 137 | 103.1 Ų | 103.1 | 64% | 0.64 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.1 | -42.4 | 169.9 | -74.8 | -95.1 | -11.7 | 0 | 0 | 111.6 | T489 K497 | T489-Q493 WeakPolarHBondContact O-CB 3.37Å; T489-Q493 WeakPolarHBondContact O-CG 3.44Å; T489-Q493 PolarHBondContact O-N 3.15Å; Q493-K497 WeakPolarHBondContact O-CB 3.32Å; Q493-K497 PolarHBondContact O-N 3.01Å |
| 494 | Y | 85.5 | Confident | 85 | Confident | 156 Ų | 156 | 103.3 Ų | 103.3 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -53.5 | 176.3 | 179.1 | -90.4 | 0 | 0 | 0 | 111.6 | T490 S491 E492 S496 K497 E498 | T490-Y494 PolarHBondContact O-N 3.37Å; S491-Y494 WeakPolarHBondContact O-CB 3.33Å; S491-Y494 PolarHBondContact O-N 3.4Å; E492-Y494 VanDerWaalsContact C-N 3.33Å; E492-Y494 PolarHBondContact O-N 2.88Å; Y494-S496 VanDerWaalsContact C-N 3.33Å; Y494-S496 PolarHBondContact O-N 3.44Å; Y494-K497 WeakPolarHBondContact O-CB 3.12Å; Y494-K497 PolarHBondContact O-N 3.48Å; Y494-K497 VanDerWaalsContact O-N 3.15Å; Y494-E498 PolarHBondContact O-N 3.39Å |
| 495 | Y | 80.8 | Confident | 85.1 | Confident | 144 Ų | 144 | 104.2 Ų | 104.2 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -35.2 | 177.4 | -68.2 | -57.2 | 0 | 0 | 0 | 112.6 | S491 E492 K497 E498 V499 | S491-Y495 WeakPolarHBondContact O-CD2 3.47Å; S491-Y495 PolarHBondContact O-N 3.22Å; E492-Y495 PolarHBondContact O-N 2.86Å; Y495-K497 VanDerWaalsContact C-N 3.29Å; Y495-K497 PolarHBondContact O-N 3.27Å; Y495-E498 PolarHBondContact O-N 3.21Å; Y495-V499 WeakPolarHBondContact O-CB 3.33Å; Y495-V499 WeakPolarHBondContact O-CG2 3.33Å; Y495-V499 PolarHBondContact O-N 3.27Å |
| 496 | S | 84.5 | Confident | 85.3 | Confident | 61 Ų | 61 | 103.9 Ų | 103.9 | 43% | 0.427 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 175.1 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | E492 Y494 K500 | E492-S496 WeakPolarHBondContact O-CA 3.28Å; E492-S496 WeakPolarHBondContact O-CB 3.31Å; E492-S496 PolarHBondContact O-N 3.36Å; Y494-S496 VanDerWaalsContact C-N 3.33Å; Y494-S496 PolarHBondContact O-N 3.44Å; S496-K500 WeakPolarHBondContact O-CB 3.38Å; S496-K500 WeakPolarHBondContact O-CG 3.47Å; S496-K500 PolarHBondContact O-N 3.29Å |
| 497 | K | 85.5 | Confident | 85.5 | Confident | 144 Ų | 144 | 104.6 Ų | 104.6 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.7 | -44.5 | 175.5 | -156.3 | 168.6 | -173.5 | 178.2 | 0 | 111.4 | Q493 Y494 Y495 V499 K500 D501 | Q493-K497 WeakPolarHBondContact O-CB 3.32Å; Q493-K497 PolarHBondContact O-N 3.01Å; Y494-K497 WeakPolarHBondContact O-CB 3.12Å; Y494-K497 PolarHBondContact O-N 3.48Å; Y494-K497 VanDerWaalsContact O-N 3.15Å; Y495-K497 VanDerWaalsContact C-N 3.29Å; Y495-K497 PolarHBondContact O-N 3.27Å; K497-V499 PolarHBondContact O-N 2.82Å; K497-K500 WeakPolarHBondContact O-CB 3.4Å; K497-K500 PolarHBondContact O-N 2.85Å; K497-K500 VanDerWaalsContact O-N 3.15Å; K497-D501 VanDerWaalsContact O-CG 3.31Å; K497-D501 PolarHBondContact O-N 3.4Å |
| 498 | E | 88.1 | Confident | 85.8 | Confident | 87 Ų | 87 | 105.7 Ų | 105.7 | 41% | 0.407 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 174.3 | -171.3 | 173.8 | -167.6 | 0 | 0 | 112.3 | Y494 Y495 K500 D501 L502 | Y494-E498 PolarHBondContact O-N 3.39Å; Y495-E498 PolarHBondContact O-N 3.21Å; E498-K500 VanDerWaalsContact C-N 3.33Å; E498-K500 PolarHBondContact O-N 3.48Å; E498-D501 PolarHBondContact O-N 3.06Å; E498-L502 HydrophobicContact CG-CD1 4.29Å; E498-L502 WeakPolarHBondContact O-CB 3.45Å; E498-L502 WeakPolarHBondContact O-CG 3.16Å; E498-L502 PolarHBondContact O-N 2.93Å |
| 499 | V | 82.3 | Confident | 85.9 | Confident | 92 Ų | 92 | 105.7 Ų | 105.7 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -37.7 | 173.4 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | Y495 K497 K503 | Y495-V499 WeakPolarHBondContact O-CB 3.33Å; Y495-V499 WeakPolarHBondContact O-CG2 3.33Å; Y495-V499 PolarHBondContact O-N 3.27Å; K497-V499 PolarHBondContact O-N 2.82Å; V499-K503 WeakPolarHBondContact O-CB 3.15Å; V499-K503 PolarHBondContact O-N 2.87Å |
| 500 | K | 86.1 | Confident | 86.2 | Confident | 138 Ų | 138 | 107.3 Ų | 107.3 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -46.9 | 173.2 | -87.1 | 179.3 | 178.2 | 175.4 | 0 | 111.2 | S496 K497 E498 K503 T504 | S496-K500 WeakPolarHBondContact O-CB 3.38Å; S496-K500 WeakPolarHBondContact O-CG 3.47Å; S496-K500 PolarHBondContact O-N 3.29Å; K497-K500 WeakPolarHBondContact O-CB 3.4Å; K497-K500 PolarHBondContact O-N 2.85Å; K497-K500 VanDerWaalsContact O-N 3.15Å; E498-K500 VanDerWaalsContact C-N 3.33Å; E498-K500 PolarHBondContact O-N 3.48Å; K500-K503 WeakPolarHBondContact O-CB 3.43Å; K500-K503 PolarHBondContact O-N 2.78Å; K500-T504 WeakPolarHBondContact O-CG2 3.45Å; K500-T504 PolarHBondContact O-N 2.81Å; K500-T504 PolarHBondContact O-OG1 2.88Å |
| 501 | D | 87.4 | Confident | 86.5 | Confident | 95 Ų | 95 | 107.2 Ų | 107.2 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -48.8 | -179.8 | -67 | -17 | 0 | 0 | 0 | 110.5 | K497 E498 K503 T504 E505 | K497-D501 VanDerWaalsContact O-CG 3.31Å; K497-D501 PolarHBondContact O-N 3.4Å; E498-D501 PolarHBondContact O-N 3.06Å; D501-K503 VanDerWaalsContact C-N 3.28Å; D501-K503 PolarHBondContact O-N 3.32Å; D501-T504 WeakPolarHBondContact CA-OG1 3.27Å; D501-T504 PolarHBondContact O-N 3.49Å; D501-T504 VanDerWaalsContact O-N 3.09Å; D501-T504 PolarHBondContact O-OG1 2.79Å; D501-E505 WeakPolarHBondContact O-CB 3.43Å; D501-E505 PolarHBondContact O-N 3.31Å |
| 502 | L | 87.2 | Confident | 86.9 | Confident | 97 Ų | 97 | 109 Ų | 109 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -35.3 | 173.4 | -74.2 | 173.3 | 0 | 0 | 0 | 112.8 | E498 E505 L506 | E498-L502 HydrophobicContact CG-CD1 4.29Å; E498-L502 WeakPolarHBondContact O-CB 3.45Å; E498-L502 WeakPolarHBondContact O-CG 3.16Å; E498-L502 PolarHBondContact O-N 2.93Å; L502-E505 PolarHBondContact O-N 3.39Å; L502-L506 VanDerWaalsContact O-CB 3.25Å; L502-L506 WeakPolarHBondContact O-CB 3.28Å; L502-L506 PolarHBondContact O-N 3.49Å |
| 503 | K | 91.7 | Very high | 87.1 | Confident | 139 Ų | 139 | 107.7 Ų | 107.7 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.3 | -38.9 | 175.3 | -171.8 | 170 | -162.1 | 175.9 | 0 | 111.5 | V499 K500 D501 E505 E507 | V499-K503 WeakPolarHBondContact O-CB 3.15Å; V499-K503 PolarHBondContact O-N 2.87Å; K500-K503 WeakPolarHBondContact O-CB 3.43Å; K500-K503 PolarHBondContact O-N 2.78Å; D501-K503 VanDerWaalsContact C-N 3.28Å; D501-K503 PolarHBondContact O-N 3.32Å; K503-E505 VanDerWaalsContact C-N 3.33Å; K503-E507 PolarHBondContact O-N 3.03Å |
| 504 | T | 85.9 | Confident | 87.1 | Confident | 94 Ų | 94 | 105.1 Ų | 105.1 | 58% | 0.577 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -36.7 | 173 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | K500 D501 E507 N508 | K500-T504 WeakPolarHBondContact O-CG2 3.45Å; K500-T504 PolarHBondContact O-N 2.81Å; K500-T504 PolarHBondContact O-OG1 2.88Å; D501-T504 WeakPolarHBondContact CA-OG1 3.27Å; D501-T504 PolarHBondContact O-N 3.49Å; D501-T504 VanDerWaalsContact O-N 3.09Å; D501-T504 PolarHBondContact O-OG1 2.79Å; T504-E507 PolarHBondContact O-N 3.18Å; T504-N508 VanDerWaalsContact O-CB 3.32Å; T504-N508 WeakPolarHBondContact O-CB 3.39Å; T504-N508 PolarHBondContact O-N 3.44Å |
| 505 | E | 88.7 | Confident | 87.2 | Confident | 124 Ų | 124 | 102.5 Ų | 102.5 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.7 | -39.8 | 177.9 | -147.5 | 165.3 | -139.5 | 0 | 0 | 111.8 | D501 L502 K503 N508 E509 | D501-E505 WeakPolarHBondContact O-CB 3.43Å; D501-E505 PolarHBondContact O-N 3.31Å; L502-E505 PolarHBondContact O-N 3.39Å; K503-E505 VanDerWaalsContact C-N 3.33Å; E505-N508 WeakPolarHBondContact O-CB 3.17Å; E505-N508 PolarHBondContact O-N 2.88Å; E505-E509 PolarHBondContact O-N 2.95Å |
| 506 | L | 88.1 | Confident | 87.5 | Confident | 100 Ų | 100 | 101.1 Ų | 101.1 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 172.5 | 179.1 | 64.6 | 0 | 0 | 0 | 111.9 | L502 N508 E509 K510 | L502-L506 VanDerWaalsContact O-CB 3.25Å; L502-L506 WeakPolarHBondContact O-CB 3.28Å; L502-L506 PolarHBondContact O-N 3.49Å; L506-N508 VanDerWaalsContact C-N 3.35Å; L506-E509 PolarHBondContact O-N 3.48Å; L506-K510 WeakPolarHBondContact O-CG 3.39Å; L506-K510 PolarHBondContact O-N 2.83Å |
| 507 | E | 88.6 | Confident | 87.7 | Confident | 96 Ų | 96 | 101.4 Ų | 101.4 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 174 | -79.2 | -54.9 | 144.4 | 0 | 0 | 111.9 | K503 T504 K510 L511 | K503-E507 PolarHBondContact O-N 3.03Å; T504-E507 PolarHBondContact O-N 3.18Å; E507-K510 PolarHBondContact O-N 3.33Å; E507-K510 IonicContact OE1-NZ 2.84Å; E507-K510 PolarHBondContact OE1-NZ 3.17Å; E507-L511 WeakPolarHBondContact O-CB 3.48Å; E507-L511 PolarHBondContact O-N 3.46Å |
| 508 | N | 89.1 | Confident | 87.7 | Confident | 80 Ų | 80 | 97.6 Ų | 97.6 | 43% | 0.428 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 173.2 | -167.1 | 25 | 0 | 0 | 0 | 111.7 | T504 E505 L506 L511 K512 | T504-N508 VanDerWaalsContact O-CB 3.32Å; T504-N508 WeakPolarHBondContact O-CB 3.39Å; T504-N508 PolarHBondContact O-N 3.44Å; E505-N508 WeakPolarHBondContact O-CB 3.17Å; E505-N508 PolarHBondContact O-N 2.88Å; L506-N508 VanDerWaalsContact C-N 3.35Å; N508-L511 WeakPolarHBondContact O-CB 3.13Å; N508-L511 PolarHBondContact O-N 2.88Å; N508-K512 WeakPolarHBondContact O-CG 3.42Å; N508-K512 PolarHBondContact O-N 2.92Å |
| 509 | E | 86.1 | Confident | 87.8 | Confident | 97 Ų | 97 | 99 Ų | 99 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70 | -35.8 | 174.7 | -83.2 | -54.2 | 138.3 | 0 | 0 | 113.3 | E505 L506 L511 K512 N513 | E505-E509 PolarHBondContact O-N 2.95Å; L506-E509 PolarHBondContact O-N 3.48Å; E509-L511 VanDerWaalsContact C-N 3.31Å; E509-L511 PolarHBondContact O-N 3.13Å; E509-K512 PolarHBondContact O-N 3.36Å; E509-K512 WeakPolarHBondContact OE1-CD 3.39Å; E509-K512 IonicContact OE1-NZ 3.95Å; E509-K512 PolarHBondContact OE1-NZ 3.44Å; E509-N513 VanDerWaalsContact O-CB 3.29Å; E509-N513 WeakPolarHBondContact O-CB 3.19Å; E509-N513 PolarHBondContact O-N 2.83Å |
| 510 | K | 92.1 | Very high | 87.8 | Confident | 99 Ų | 99 | 98.2 Ų | 98.2 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 169.6 | -75.7 | 178.2 | -171.1 | 170.6 | 0 | 111 | L506 E507 N513 T514 | L506-K510 WeakPolarHBondContact O-CG 3.39Å; L506-K510 PolarHBondContact O-N 2.83Å; E507-K510 PolarHBondContact O-N 3.33Å; E507-K510 IonicContact OE1-NZ 2.84Å; E507-K510 PolarHBondContact OE1-NZ 3.17Å; K510-N513 PolarHBondContact O-N 2.95Å; K510-T514 WeakPolarHBondContact O-CG2 3.38Å; K510-T514 PolarHBondContact O-N 3.14Å; K510-T514 PolarHBondContact O-OG1 3.48Å |
| 511 | L | 88.7 | Confident | 87.9 | Confident | 95 Ų | 95 | 96.3 Ų | 96.3 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -51.1 | 176.5 | -166.5 | 74.5 | 0 | 0 | 0 | 110.3 | E507 N508 E509 N513 T514 E515 | E507-L511 WeakPolarHBondContact O-CB 3.48Å; E507-L511 PolarHBondContact O-N 3.46Å; N508-L511 WeakPolarHBondContact O-CB 3.13Å; N508-L511 PolarHBondContact O-N 2.88Å; E509-L511 VanDerWaalsContact C-N 3.31Å; E509-L511 PolarHBondContact O-N 3.13Å; L511-N513 VanDerWaalsContact C-N 3.31Å; L511-N513 PolarHBondContact O-N 2.83Å; L511-T514 WeakPolarHBondContact CA-OG1 3.35Å; L511-T514 CarbonylContact O-C 3.59Å; L511-T514 PolarHBondContact O-N 2.69Å; L511-T514 VanDerWaalsContact O-N 3.1Å; L511-T514 PolarHBondContact O-OG1 2.83Å; L511-E515 WeakPolarHBondContact O-CG 3.35Å; L511-E515 PolarHBondContact O-N 2.81Å |
| 512 | K | 90.2 | Very high | 88.1 | Confident | 86 Ų | 86 | 98.2 Ų | 98.2 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 174.7 | -70.3 | -178.6 | -158.8 | 162 | 0 | 113.1 | N508 E509 E515 L516 | N508-K512 WeakPolarHBondContact O-CG 3.42Å; N508-K512 PolarHBondContact O-N 2.92Å; E509-K512 PolarHBondContact O-N 3.36Å; E509-K512 WeakPolarHBondContact OE1-CD 3.39Å; E509-K512 IonicContact OE1-NZ 3.95Å; E509-K512 PolarHBondContact OE1-NZ 3.44Å; K512-E515 WeakPolarHBondContact O-CB 3.07Å; K512-E515 PolarHBondContact O-N 3.37Å; K512-L516 WeakPolarHBondContact O-CB 3.43Å; K512-L516 PolarHBondContact O-N 3.42Å |
| 513 | N | 87.5 | Confident | 88.2 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69 | -36.7 | 176.8 | -168.2 | 14.7 | 0 | 0 | 0 | 111.4 | E509 K510 L511 E515 L516 T517 | E509-N513 VanDerWaalsContact O-CB 3.29Å; E509-N513 WeakPolarHBondContact O-CB 3.19Å; E509-N513 PolarHBondContact O-N 2.83Å; K510-N513 PolarHBondContact O-N 2.95Å; L511-N513 VanDerWaalsContact C-N 3.31Å; L511-N513 PolarHBondContact O-N 2.83Å; N513-E515 VanDerWaalsContact C-N 3.34Å; N513-L516 PolarHBondContact O-N 3.49Å; N513-T517 VanDerWaalsContact O-CB 3.25Å; N513-T517 WeakPolarHBondContact O-CB 3.19Å; N513-T517 PolarHBondContact O-N 3.43Å; N513-T517 PolarHBondContact O-OG1 2.89Å |
| 514 | T | 84.9 | Confident | 88.2 | Confident | 83 Ų | 83 | 94.3 Ų | 94.3 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 171.5 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | K510 L511 T517 S518 | K510-T514 WeakPolarHBondContact O-CG2 3.38Å; K510-T514 PolarHBondContact O-N 3.14Å; K510-T514 PolarHBondContact O-OG1 3.48Å; L511-T514 WeakPolarHBondContact CA-OG1 3.35Å; L511-T514 CarbonylContact O-C 3.59Å; L511-T514 PolarHBondContact O-N 2.69Å; L511-T514 VanDerWaalsContact O-N 3.1Å; L511-T514 PolarHBondContact O-OG1 2.83Å; T514-T517 PolarHBondContact O-N 3.24Å; T514-S518 WeakPolarHBondContact O-CB 3.33Å; T514-S518 PolarHBondContact O-N 2.9Å |
| 515 | E | 87.9 | Confident | 88.3 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 172.8 | -72.3 | 174.5 | -178.5 | 0 | 0 | 111.2 | L511 K512 N513 T517 S518 H519 | L511-E515 WeakPolarHBondContact O-CG 3.35Å; L511-E515 PolarHBondContact O-N 2.81Å; K512-E515 WeakPolarHBondContact O-CB 3.07Å; K512-E515 PolarHBondContact O-N 3.37Å; N513-E515 VanDerWaalsContact C-N 3.34Å; E515-T517 VanDerWaalsContact C-N 3.32Å; E515-T517 PolarHBondContact O-N 3.29Å; E515-S518 WeakPolarHBondContact CA-OG 3.49Å; E515-S518 CarbonylContact O-C 3.59Å; E515-S518 WeakPolarHBondContact O-CB 3.43Å; E515-S518 PolarHBondContact O-N 2.83Å; E515-S518 VanDerWaalsContact O-N 3.17Å; E515-S518 PolarHBondContact O-OG 3.39Å; E515-H519 WeakPolarHBondContact O-CB 3.35Å; E515-H519 PolarHBondContact O-N 3.19Å |
| 516 | L | 86.6 | Confident | 88.3 | Confident | 116 Ų | 116 | 93.5 Ų | 93.5 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.1 | -42.9 | 175.6 | -124.4 | 92.6 | 0 | 0 | 0 | 111.3 | K512 N513 S518 H519 C520 | K512-L516 WeakPolarHBondContact O-CB 3.43Å; K512-L516 PolarHBondContact O-N 3.42Å; N513-L516 PolarHBondContact O-N 3.49Å; L516-S518 VanDerWaalsContact C-N 3.33Å; L516-H519 CarbonylContact O-C 3.55Å; L516-H519 WeakPolarHBondContact O-CB 3.36Å; L516-H519 PolarHBondContact O-N 3.35Å; L516-C520 WeakPolarHBondContact O-CB 3.11Å; L516-C520 PolarHBondContact O-N 3.16Å |
| 517 | T | 89.5 | Confident | 88.4 | Confident | 67 Ų | 67 | 93.9 Ų | 93.9 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | N513 T514 E515 H519 C520 N521 | N513-T517 VanDerWaalsContact O-CB 3.25Å; N513-T517 WeakPolarHBondContact O-CB 3.19Å; N513-T517 PolarHBondContact O-N 3.43Å; N513-T517 PolarHBondContact O-OG1 2.89Å; T514-T517 PolarHBondContact O-N 3.24Å; E515-T517 VanDerWaalsContact C-N 3.32Å; E515-T517 PolarHBondContact O-N 3.29Å; T517-H519 VanDerWaalsContact C-N 3.32Å; T517-H519 PolarHBondContact O-N 2.88Å; T517-C520 PolarHBondContact O-N 2.83Å; T517-N521 WeakPolarHBondContact O-CB 3.28Å; T517-N521 PolarHBondContact O-N 3.18Å; T517-N521 PolarHBondContact O-ND2 2.83Å |
| 518 | S | 84.3 | Confident | 88.4 | Confident | 63 Ų | 63 | 95.8 Ų | 95.8 | 44% | 0.441 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 174.2 | 81.7 | 0 | 0 | 0 | 0 | 111.7 | T514 E515 L516 N521 K522 | T514-S518 WeakPolarHBondContact O-CB 3.33Å; T514-S518 PolarHBondContact O-N 2.9Å; E515-S518 WeakPolarHBondContact CA-OG 3.49Å; E515-S518 CarbonylContact O-C 3.59Å; E515-S518 WeakPolarHBondContact O-CB 3.43Å; E515-S518 PolarHBondContact O-N 2.83Å; E515-S518 VanDerWaalsContact O-N 3.17Å; E515-S518 PolarHBondContact O-OG 3.39Å; L516-S518 VanDerWaalsContact C-N 3.33Å; S518-N521 PolarHBondContact O-N 2.71Å; S518-K522 WeakPolarHBondContact O-CB 3.48Å; S518-K522 PolarHBondContact O-N 2.79Å |
| 519 | H | 90.3 | Very high | 88.5 | Confident | 117 Ų | 117 | 98 Ų | 98 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 176.1 | -108.3 | -72.5 | 0 | 0 | 0 | 112.3 | E515 L516 T517 K522 L523 | E515-H519 WeakPolarHBondContact O-CB 3.35Å; E515-H519 PolarHBondContact O-N 3.19Å; L516-H519 CarbonylContact O-C 3.55Å; L516-H519 WeakPolarHBondContact O-CB 3.36Å; L516-H519 PolarHBondContact O-N 3.35Å; T517-H519 VanDerWaalsContact C-N 3.32Å; T517-H519 PolarHBondContact O-N 2.88Å; H519-K522 PolarHBondContact O-N 2.67Å; H519-L523 WeakPolarHBondContact O-CB 3.34Å; H519-L523 WeakPolarHBondContact O-CG 3.24Å; H519-L523 PolarHBondContact O-N 3.48Å |
| 520 | C | 83.4 | Confident | 88.5 | Confident | 75 Ų | 75 | 97.3 Ų | 97.3 | 51% | 0.507 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 173.3 | -82.3 | 0 | 0 | 0 | 0 | 111.5 | L516 T517 K522 L523 S524 | L516-C520 WeakPolarHBondContact O-CB 3.11Å; L516-C520 PolarHBondContact O-N 3.16Å; T517-C520 PolarHBondContact O-N 2.83Å; C520-K522 VanDerWaalsContact C-N 3.35Å; C520-L523 PolarHBondContact O-N 3.42Å; C520-S524 VanDerWaalsContact O-CB 3.32Å; C520-S524 WeakPolarHBondContact O-CB 3.33Å; C520-S524 PolarHBondContact O-N 3.23Å |
| 521 | N | 88.5 | Confident | 88.3 | Confident | 98 Ų | 98 | 97.1 Ų | 97.1 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.4 | -70.8 | -23.5 | 0 | 0 | 0 | 111.3 | T517 S518 S524 L525 | T517-N521 WeakPolarHBondContact O-CB 3.28Å; T517-N521 PolarHBondContact O-N 3.18Å; T517-N521 PolarHBondContact O-ND2 2.83Å; S518-N521 PolarHBondContact O-N 2.71Å; N521-S524 PolarHBondContact O-N 2.89Å; N521-L525 PolarHBondContact O-N 3.46Å |
| 522 | K | 91.5 | Very high | 88.3 | Confident | 136 Ų | 136 | 97.7 Ų | 97.7 | 59% | 0.591 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -47.3 | 175 | -169 | 177.1 | -176.2 | -177.1 | 0 | 111.3 | S518 H519 C520 S524 L525 E526 | S518-K522 WeakPolarHBondContact O-CB 3.48Å; S518-K522 PolarHBondContact O-N 2.79Å; H519-K522 PolarHBondContact O-N 2.67Å; C520-K522 VanDerWaalsContact C-N 3.35Å; K522-S524 VanDerWaalsContact C-N 3.3Å; K522-S524 PolarHBondContact O-N 2.64Å; K522-L525 WeakPolarHBondContact O-CB 3.39Å; K522-L525 PolarHBondContact O-N 2.83Å; K522-E526 WeakPolarHBondContact O-CB 3.29Å; K522-E526 PolarHBondContact O-N 3.44Å |
| 523 | L | 89.7 | Confident | 88.1 | Confident | 95 Ų | 95 | 99 Ų | 99 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -34.4 | 173.8 | -77.5 | 169 | 0 | 0 | 0 | 112.4 | H519 C520 N527 | H519-L523 WeakPolarHBondContact O-CB 3.34Å; H519-L523 WeakPolarHBondContact O-CG 3.24Å; H519-L523 PolarHBondContact O-N 3.48Å; C520-L523 PolarHBondContact O-N 3.42Å; L523-N527 WeakPolarHBondContact O-CB 3.31Å; L523-N527 PolarHBondContact O-N 2.88Å |
| 524 | S | 91.2 | Very high | 88.2 | Confident | 59 Ų | 59 | 97.9 Ų | 97.9 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 176.2 | -168.5 | 0 | 0 | 0 | 0 | 112 | C520 N521 K522 K528 | C520-S524 VanDerWaalsContact O-CB 3.32Å; C520-S524 WeakPolarHBondContact O-CB 3.33Å; C520-S524 PolarHBondContact O-N 3.23Å; N521-S524 PolarHBondContact O-N 2.89Å; K522-S524 VanDerWaalsContact C-N 3.3Å; K522-S524 PolarHBondContact O-N 2.64Å; S524-K528 WeakPolarHBondContact O-CG 3.27Å; S524-K528 PolarHBondContact O-N 2.7Å; S524-K528 VanDerWaalsContact O-N 3.09Å |
| 525 | L | 88.2 | Confident | 88.5 | Confident | 103 Ų | 103 | 96.6 Ų | 96.6 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 170.2 | -93.6 | 161.6 | 0 | 0 | 0 | 111.2 | N521 K522 N527 K528 E529 | N521-L525 PolarHBondContact O-N 3.46Å; K522-L525 WeakPolarHBondContact O-CB 3.39Å; K522-L525 PolarHBondContact O-N 2.83Å; L525-N527 VanDerWaalsContact C-N 3.3Å; L525-N527 PolarHBondContact O-N 2.76Å; L525-K528 CarbonylContact O-C 3.6Å; L525-K528 WeakPolarHBondContact O-CA 3.47Å; L525-K528 WeakPolarHBondContact O-CB 3.46Å; L525-K528 PolarHBondContact O-N 3.33Å; L525-E529 WeakPolarHBondContact O-CG 3.28Å; L525-E529 PolarHBondContact O-N 2.89Å |
| 526 | E | 87.3 | Confident | 88.6 | Confident | 97 Ų | 97 | 96 Ų | 96 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 177.2 | -167.1 | 172.6 | -164.7 | 0 | 0 | 111.3 | K522 K528 E529 L530 | K522-E526 WeakPolarHBondContact O-CB 3.29Å; K522-E526 PolarHBondContact O-N 3.44Å; E526-K528 PolarHBondContact O-N 3.32Å; E526-E529 PolarHBondContact O-N 2.86Å; E526-L530 WeakPolarHBondContact O-CB 3.36Å; E526-L530 VanDerWaalsContact O-CG 3.28Å; E526-L530 WeakPolarHBondContact O-CG 3.39Å; E526-L530 PolarHBondContact O-N 3.29Å |
| 527 | N | 90.5 | Very high | 88.7 | Confident | 109 Ų | 109 | 95.5 Ų | 95.5 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.8 | -37.9 | 172.3 | -104.2 | -7.9 | 0 | 0 | 0 | 112.8 | L523 L525 T531 | L523-N527 WeakPolarHBondContact O-CB 3.31Å; L523-N527 PolarHBondContact O-N 2.88Å; L525-N527 VanDerWaalsContact C-N 3.3Å; L525-N527 PolarHBondContact O-N 2.76Å; N527-T531 PolarHBondContact O-N 3.45Å; N527-T531 PolarHBondContact O-OG1 3.17Å |
| 528 | K | 89.5 | Confident | 88.8 | Confident | 135 Ų | 135 | 96.3 Ų | 96.3 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.8 | -41 | 174.5 | -74.1 | 174 | -177 | 176 | 0 | 111.3 | S524 L525 E526 T531 Q532 | S524-K528 WeakPolarHBondContact O-CG 3.27Å; S524-K528 PolarHBondContact O-N 2.7Å; S524-K528 VanDerWaalsContact O-N 3.09Å; L525-K528 CarbonylContact O-C 3.6Å; L525-K528 WeakPolarHBondContact O-CA 3.47Å; L525-K528 WeakPolarHBondContact O-CB 3.46Å; L525-K528 PolarHBondContact O-N 3.33Å; E526-K528 PolarHBondContact O-N 3.32Å; K528-T531 VanDerWaalsContact CA-OG1 3.29Å; K528-T531 WeakPolarHBondContact CA-OG1 3.49Å; K528-T531 PolarHBondContact O-N 2.87Å; K528-T531 PolarHBondContact O-OG1 2.71Å; K528-Q532 WeakPolarHBondContact O-CB 3.48Å; K528-Q532 PolarHBondContact O-N 2.87Å |
| 529 | E | 90.3 | Very high | 89 | Confident | 126 Ų | 126 | 98.3 Ų | 98.3 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.3 | -46.5 | 173.1 | -74.9 | 176.6 | 173.2 | 0 | 0 | 110.7 | L525 E526 T531 Q532 E533 | L525-E529 WeakPolarHBondContact O-CG 3.28Å; L525-E529 PolarHBondContact O-N 2.89Å; E526-E529 PolarHBondContact O-N 2.86Å; E529-T531 VanDerWaalsContact C-N 3.32Å; E529-T531 PolarHBondContact O-N 3.43Å; E529-Q532 CarbonylContact O-C 3.57Å; E529-Q532 WeakPolarHBondContact O-CB 3.19Å; E529-Q532 PolarHBondContact O-N 3.24Å; E529-Q532 VanDerWaalsContact O-N 3.17Å; E529-E533 VanDerWaalsContact O-CB 3.3Å; E529-E533 WeakPolarHBondContact O-CB 3.28Å; E529-E533 PolarHBondContact O-N 3.46Å |
| 530 | L | 87 | Confident | 88.9 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 174.8 | -75.8 | 171.7 | 0 | 0 | 0 | 112.3 | E526 T534 | E526-L530 WeakPolarHBondContact O-CB 3.36Å; E526-L530 VanDerWaalsContact O-CG 3.28Å; E526-L530 WeakPolarHBondContact O-CG 3.39Å; E526-L530 PolarHBondContact O-N 3.29Å; L530-T534 VanDerWaalsContact O-CB 3.27Å; L530-T534 WeakPolarHBondContact O-CB 3.5Å; L530-T534 PolarHBondContact O-N 3.29Å; L530-T534 PolarHBondContact O-OG1 3.2Å |
| 531 | T | 87.3 | Confident | 89.2 | Confident | 95 Ų | 95 | 98.7 Ų | 98.7 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.3 | -39.6 | 174.7 | 15.2 | 0 | 0 | 0 | 0 | 111.7 | N527 K528 E529 T534 S535 | N527-T531 PolarHBondContact O-N 3.45Å; N527-T531 PolarHBondContact O-OG1 3.17Å; K528-T531 VanDerWaalsContact CA-OG1 3.29Å; K528-T531 WeakPolarHBondContact CA-OG1 3.49Å; K528-T531 PolarHBondContact O-N 2.87Å; K528-T531 PolarHBondContact O-OG1 2.71Å; E529-T531 VanDerWaalsContact C-N 3.32Å; E529-T531 PolarHBondContact O-N 3.43Å; T531-T534 PolarHBondContact O-N 2.82Å; T531-S535 PolarHBondContact O-N 3.5Å |
| 532 | Q | 88 | Confident | 89.4 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -48.8 | 173.9 | -175.8 | 60.6 | 44.5 | 0 | 0 | 110.8 | K528 E529 T534 S535 D536 | K528-Q532 WeakPolarHBondContact O-CB 3.48Å; K528-Q532 PolarHBondContact O-N 2.87Å; E529-Q532 CarbonylContact O-C 3.57Å; E529-Q532 WeakPolarHBondContact O-CB 3.19Å; E529-Q532 PolarHBondContact O-N 3.24Å; E529-Q532 VanDerWaalsContact O-N 3.17Å; Q532-T534 VanDerWaalsContact C-N 3.31Å; Q532-T534 PolarHBondContact O-N 3.04Å; Q532-S535 PolarHBondContact NE2-OG 3.01Å; Q532-S535 CarbonylContact O-C 3.59Å; Q532-S535 WeakPolarHBondContact O-CA 3.27Å; Q532-S535 WeakPolarHBondContact O-CB 3.15Å; Q532-S535 PolarHBondContact O-N 3.46Å; Q532-S535 PolarHBondContact O-OG 3.2Å; Q532-D536 PolarHBondContact NE2-OD1 2.78Å; Q532-D536 VanDerWaalsContact O-CG 3.22Å; Q532-D536 PolarHBondContact O-N 2.95Å |
| 533 | E | 87.1 | Confident | 89.4 | Confident | 112 Ų | 112 | 97.7 Ų | 97.7 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 176.5 | -173.3 | 179.2 | -170.3 | 0 | 0 | 111.3 | E529 S535 D536 M537 | E529-E533 VanDerWaalsContact O-CB 3.3Å; E529-E533 WeakPolarHBondContact O-CB 3.28Å; E529-E533 PolarHBondContact O-N 3.46Å; E533-S535 VanDerWaalsContact C-N 3.31Å; E533-S535 PolarHBondContact O-N 2.99Å; E533-D536 PolarHBondContact O-N 3.48Å; E533-M537 WeakPolarHBondContact O-CB 3.19Å; E533-M537 PolarHBondContact O-N 3.38Å |
| 534 | T | 89.4 | Confident | 89.3 | Confident | 79 Ų | 79 | 97.6 Ų | 97.6 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 172.6 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | L530 T531 Q532 T538 | L530-T534 VanDerWaalsContact O-CB 3.27Å; L530-T534 WeakPolarHBondContact O-CB 3.5Å; L530-T534 PolarHBondContact O-N 3.29Å; L530-T534 PolarHBondContact O-OG1 3.2Å; T531-T534 PolarHBondContact O-N 2.82Å; Q532-T534 VanDerWaalsContact C-N 3.31Å; Q532-T534 PolarHBondContact O-N 3.04Å; T534-T538 WeakPolarHBondContact O-CB 3.48Å; T534-T538 PolarHBondContact O-N 2.99Å; T534-T538 PolarHBondContact O-OG1 3.46Å |
| 535 | S | 90.1 | Very high | 89.3 | Confident | 56 Ų | 56 | 99.6 Ų | 99.6 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 175.6 | 95.6 | 0 | 0 | 0 | 0 | 111.7 | T531 Q532 E533 T538 L539 | T531-S535 PolarHBondContact O-N 3.5Å; Q532-S535 PolarHBondContact NE2-OG 3.01Å; Q532-S535 CarbonylContact O-C 3.59Å; Q532-S535 WeakPolarHBondContact O-CA 3.27Å; Q532-S535 WeakPolarHBondContact O-CB 3.15Å; Q532-S535 PolarHBondContact O-N 3.46Å; Q532-S535 PolarHBondContact O-OG 3.2Å; E533-S535 VanDerWaalsContact C-N 3.31Å; E533-S535 PolarHBondContact O-N 2.99Å; S535-T538 WeakPolarHBondContact O-CB 3.44Å; S535-T538 PolarHBondContact O-N 2.97Å; S535-L539 WeakPolarHBondContact O-CB 3.21Å; S535-L539 PolarHBondContact O-N 3.49Å |
| 536 | D | 89.9 | Confident | 89.3 | Confident | 86 Ų | 86 | 99.8 Ų | 99.8 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 178.3 | -64.8 | -19.4 | 0 | 0 | 0 | 109.7 | Q532 E533 T538 L539 E540 | Q532-D536 PolarHBondContact NE2-OD1 2.78Å; Q532-D536 VanDerWaalsContact O-CG 3.22Å; Q532-D536 PolarHBondContact O-N 2.95Å; E533-D536 PolarHBondContact O-N 3.48Å; D536-T538 VanDerWaalsContact C-N 3.33Å; D536-T538 PolarHBondContact O-N 3.22Å; D536-L539 PolarHBondContact O-N 2.87Å; D536-E540 WeakPolarHBondContact O-CB 3.28Å; D536-E540 PolarHBondContact O-N 3.16Å |
| 537 | M | 88.9 | Confident | 89.5 | Confident | 106 Ų | 106 | 100 Ų | 100 | 52% | 0.522 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 172.7 | -174.8 | -171.4 | -55.7 | 0 | 0 | 111.7 | E533 L539 E540 L541 | E533-M537 WeakPolarHBondContact O-CB 3.19Å; E533-M537 PolarHBondContact O-N 3.38Å; M537-L539 VanDerWaalsContact C-N 3.34Å; M537-E540 PolarHBondContact O-N 3.18Å; M537-L541 WeakPolarHBondContact O-CB 3.39Å; M537-L541 VanDerWaalsContact O-CG 3.32Å; M537-L541 WeakPolarHBondContact O-CG 3.27Å; M537-L541 PolarHBondContact O-N 3.32Å |
| 538 | T | 91.6 | Very high | 89.5 | Confident | 85 Ų | 85 | 98.7 Ų | 98.7 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 176 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | T534 S535 D536 L541 K542 | T534-T538 WeakPolarHBondContact O-CB 3.48Å; T534-T538 PolarHBondContact O-N 2.99Å; T534-T538 PolarHBondContact O-OG1 3.46Å; S535-T538 WeakPolarHBondContact O-CB 3.44Å; S535-T538 PolarHBondContact O-N 2.97Å; D536-T538 VanDerWaalsContact C-N 3.33Å; D536-T538 PolarHBondContact O-N 3.22Å; T538-L541 PolarHBondContact O-N 3.23Å; T538-K542 PolarHBondContact O-N 3.44Å |
| 539 | L | 89.3 | Confident | 89.6 | Confident | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 176.7 | -161.1 | 127.9 | 0 | 0 | 0 | 111.2 | S535 D536 M537 K542 N543 | S535-L539 WeakPolarHBondContact O-CB 3.21Å; S535-L539 PolarHBondContact O-N 3.49Å; D536-L539 PolarHBondContact O-N 2.87Å; M537-L539 VanDerWaalsContact C-N 3.34Å; L539-K542 WeakPolarHBondContact O-CB 3.48Å; L539-K542 PolarHBondContact O-N 2.86Å; L539-N543 PolarHBondContact O-N 2.82Å |
| 540 | E | 88.6 | Confident | 89.7 | Confident | 100 Ų | 100 | 93.5 Ų | 93.5 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 174.1 | -168.9 | 61.5 | -154.6 | 0 | 0 | 111.3 | D536 M537 K542 N543 Q544 | D536-E540 WeakPolarHBondContact O-CB 3.28Å; D536-E540 PolarHBondContact O-N 3.16Å; M537-E540 PolarHBondContact O-N 3.18Å; E540-K542 VanDerWaalsContact C-N 3.29Å; E540-K542 PolarHBondContact O-N 3.47Å; E540-N543 PolarHBondContact O-N 2.81Å; E540-Q544 WeakPolarHBondContact O-CB 3.44Å; E540-Q544 WeakPolarHBondContact O-CG 3.38Å; E540-Q544 PolarHBondContact O-N 3.5Å |
| 541 | L | 89.9 | Confident | 89.9 | Confident | 100 Ų | 100 | 93.9 Ų | 93.9 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 173.2 | -78.9 | 172.3 | 0 | 0 | 0 | 112 | M537 T538 Q545 | M537-L541 WeakPolarHBondContact O-CB 3.39Å; M537-L541 VanDerWaalsContact O-CG 3.32Å; M537-L541 WeakPolarHBondContact O-CG 3.27Å; M537-L541 PolarHBondContact O-N 3.32Å; T538-L541 PolarHBondContact O-N 3.23Å; L541-Q545 VanDerWaalsContact O-CB 3.28Å; L541-Q545 WeakPolarHBondContact O-CB 3.31Å; L541-Q545 PolarHBondContact O-N 3.42Å |
| 542 | K | 92.6 | Very high | 90 | Very high | 148 Ų | 148 | 95.2 Ų | 95.2 | 64% | 0.643 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.2 | -42.8 | 175.3 | -171.6 | -176.5 | -178.5 | -173.3 | 0 | 111.5 | T538 L539 E540 Q545 E546 | T538-K542 PolarHBondContact O-N 3.44Å; L539-K542 WeakPolarHBondContact O-CB 3.48Å; L539-K542 PolarHBondContact O-N 2.86Å; E540-K542 VanDerWaalsContact C-N 3.29Å; E540-K542 PolarHBondContact O-N 3.47Å; K542-Q545 WeakPolarHBondContact O-CB 3.26Å; K542-Q545 PolarHBondContact O-N 2.75Å; K542-E546 PolarHBondContact O-N 2.83Å |
| 543 | N | 91.8 | Very high | 90.1 | Very high | 64 Ų | 64 | 96.3 Ų | 96.3 | 34% | 0.342 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 174.7 | -74.6 | -13.5 | 0 | 0 | 0 | 110.8 | L539 E540 Q545 E546 D547 | L539-N543 PolarHBondContact O-N 2.82Å; E540-N543 PolarHBondContact O-N 2.81Å; N543-Q545 VanDerWaalsContact C-N 3.27Å; N543-Q545 PolarHBondContact O-N 3.44Å; N543-E546 CarbonylContact O-C 3.59Å; N543-E546 WeakPolarHBondContact O-CA 3.38Å; N543-E546 WeakPolarHBondContact O-CB 3.41Å; N543-E546 PolarHBondContact O-N 3.05Å; N543-E546 VanDerWaalsContact O-N 3.08Å; N543-D547 PolarHBondContact O-N 3.42Å |
| 544 | Q | 87.8 | Confident | 90.1 | Very high | 94 Ų | 94 | 95.2 Ų | 95.2 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 174 | -72.5 | -179.4 | 4.6 | 0 | 0 | 111.9 | E540 E546 D547 I548 | E540-Q544 WeakPolarHBondContact O-CB 3.44Å; E540-Q544 WeakPolarHBondContact O-CG 3.38Å; E540-Q544 PolarHBondContact O-N 3.5Å; Q544-E546 VanDerWaalsContact C-N 3.34Å; Q544-D547 PolarHBondContact O-N 2.9Å; Q544-I548 WeakPolarHBondContact O-CB 3.3Å; Q544-I548 WeakPolarHBondContact O-CD1 3.2Å; Q544-I548 WeakPolarHBondContact O-CG1 3.41Å; Q544-I548 PolarHBondContact O-N 3.18Å |
| 545 | Q | 90.6 | Very high | 89.9 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 176.5 | -173.6 | 57.5 | 77.6 | 0 | 0 | 112.4 | L541 K542 N543 N549 | L541-Q545 VanDerWaalsContact O-CB 3.28Å; L541-Q545 WeakPolarHBondContact O-CB 3.31Å; L541-Q545 PolarHBondContact O-N 3.42Å; K542-Q545 WeakPolarHBondContact O-CB 3.26Å; K542-Q545 PolarHBondContact O-N 2.75Å; N543-Q545 VanDerWaalsContact C-N 3.27Å; N543-Q545 PolarHBondContact O-N 3.44Å; Q545-N549 PolarHBondContact O-N 2.82Å; Q545-N549 VanDerWaalsContact O-N 3.14Å; Q545-N549 PolarHBondContact O-ND2 3.21Å |
| 546 | E | 88.5 | Confident | 89.7 | Confident | 108 Ų | 108 | 98.9 Ų | 98.9 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.1 | -42.5 | 173.3 | -175.4 | 159.8 | -171.7 | 0 | 0 | 111.8 | K542 N543 Q544 I548 N549 N550 | K542-E546 PolarHBondContact O-N 2.83Å; N543-E546 CarbonylContact O-C 3.59Å; N543-E546 WeakPolarHBondContact O-CA 3.38Å; N543-E546 WeakPolarHBondContact O-CB 3.41Å; N543-E546 PolarHBondContact O-N 3.05Å; N543-E546 VanDerWaalsContact O-N 3.08Å; Q544-E546 VanDerWaalsContact C-N 3.34Å; E546-I548 PolarHBondContact O-N 2.7Å; E546-N549 WeakPolarHBondContact O-CB 3.44Å; E546-N549 PolarHBondContact O-N 2.78Å; E546-N549 VanDerWaalsContact O-N 3.11Å; E546-N550 PolarHBondContact O-N 3.05Å |
| 547 | D | 91.2 | Very high | 89.8 | Confident | 102 Ų | 102 | 101.8 Ų | 101.8 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 173.3 | -75.7 | -21.9 | 0 | 0 | 0 | 111.1 | N543 Q544 N549 N550 N551 | N543-D547 PolarHBondContact O-N 3.42Å; Q544-D547 PolarHBondContact O-N 2.9Å; D547-N549 VanDerWaalsContact C-N 3.29Å; D547-N549 PolarHBondContact O-N 2.75Å; D547-N550 PolarHBondContact O-N 3.47Å; D547-N551 WeakPolarHBondContact O-CB 3.23Å; D547-N551 PolarHBondContact O-N 2.85Å |
| 548 | I | 91.1 | Very high | 89.7 | Confident | 81 Ų | 81 | 101 Ų | 101 | 42% | 0.415 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 173.3 | -72 | 163.9 | 0 | 0 | 0 | 110.8 | Q544 E546 N551 K552 | Q544-I548 WeakPolarHBondContact O-CB 3.3Å; Q544-I548 WeakPolarHBondContact O-CD1 3.2Å; Q544-I548 WeakPolarHBondContact O-CG1 3.41Å; Q544-I548 PolarHBondContact O-N 3.18Å; E546-I548 PolarHBondContact O-N 2.7Å; I548-N551 PolarHBondContact O-N 3.25Å; I548-K552 WeakPolarHBondContact O-CG 3.44Å; I548-K552 PolarHBondContact O-N 2.88Å |
| 549 | N | 91.8 | Very high | 89.7 | Confident | 77 Ų | 77 | 102.6 Ų | 102.6 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 178.8 | -76.2 | -24.1 | 0 | 0 | 0 | 112.3 | Q545 E546 D547 K552 K553 | Q545-N549 PolarHBondContact O-N 2.82Å; Q545-N549 VanDerWaalsContact O-N 3.14Å; Q545-N549 PolarHBondContact O-ND2 3.21Å; E546-N549 WeakPolarHBondContact O-CB 3.44Å; E546-N549 PolarHBondContact O-N 2.78Å; E546-N549 VanDerWaalsContact O-N 3.11Å; D547-N549 VanDerWaalsContact C-N 3.29Å; D547-N549 PolarHBondContact O-N 2.75Å; N549-K552 PolarHBondContact O-N 2.9Å; N549-K553 WeakPolarHBondContact O-CG 3.46Å; N549-K553 PolarHBondContact O-N 3.36Å; N549-K553 VanDerWaalsContact O-N 3.1Å |
| 550 | N | 91.4 | Very high | 89.7 | Confident | 74 Ų | 74 | 103.1 Ų | 103.1 | 40% | 0.396 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 173.9 | -79.7 | -23.9 | 0 | 0 | 0 | 111.4 | E546 D547 K553 Q554 | E546-N550 PolarHBondContact O-N 3.05Å; D547-N550 PolarHBondContact O-N 3.47Å; N550-K553 WeakPolarHBondContact O-CB 3.32Å; N550-K553 PolarHBondContact O-N 3.46Å; N550-Q554 PolarHBondContact O-N 2.95Å |
| 551 | N | 90.9 | Very high | 89.7 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 177.5 | -147.2 | 21.2 | 0 | 0 | 0 | 110.8 | D547 I548 K553 Q554 E555 | D547-N551 WeakPolarHBondContact O-CB 3.23Å; D547-N551 PolarHBondContact O-N 2.85Å; I548-N551 PolarHBondContact O-N 3.25Å; N551-K553 PolarHBondContact O-N 3.33Å; N551-Q554 CarbonylContact O-C 3.58Å; N551-Q554 WeakPolarHBondContact O-CA 3.15Å; N551-Q554 WeakPolarHBondContact O-CB 3.26Å; N551-Q554 PolarHBondContact O-N 3.13Å; N551-E555 WeakPolarHBondContact O-CG 3.38Å; N551-E555 PolarHBondContact O-N 3.41Å |
| 552 | K | 90.1 | Very high | 89.5 | Confident | 123 Ų | 123 | 103.7 Ų | 103.7 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 170.7 | -78.3 | 178.1 | 179.9 | 177.8 | 0 | 112.9 | I548 N549 Q554 E555 E556 | I548-K552 WeakPolarHBondContact O-CG 3.44Å; I548-K552 PolarHBondContact O-N 2.88Å; N549-K552 PolarHBondContact O-N 2.9Å; K552-Q554 PolarHBondContact O-N 3.28Å; K552-E555 PolarHBondContact O-N 3.17Å; K552-E556 PolarHBondContact O-N 3.1Å |
| 553 | K | 89.9 | Confident | 89.3 | Confident | 131 Ų | 131 | 102.2 Ų | 102.2 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -31.4 | 174.1 | -71.9 | 176.5 | -177.9 | 173.4 | 0 | 111.9 | N549 N550 N551 R557 | N549-K553 WeakPolarHBondContact O-CG 3.46Å; N549-K553 PolarHBondContact O-N 3.36Å; N549-K553 VanDerWaalsContact O-N 3.1Å; N550-K553 WeakPolarHBondContact O-CB 3.32Å; N550-K553 PolarHBondContact O-N 3.46Å; N551-K553 PolarHBondContact O-N 3.33Å; K553-R557 WeakPolarHBondContact O-CG 3.27Å; K553-R557 PolarHBondContact O-N 2.9Å; K553-R557 PolarHBondContact O-NE 3.27Å |
| 554 | Q | 87.9 | Confident | 89.2 | Confident | 89 Ų | 89 | 103.7 Ų | 103.7 | 42% | 0.416 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.8 | -42.7 | 175.1 | -175.7 | 152.4 | -16.4 | 0 | 0 | 112.1 | N550 N551 K552 E556 R557 M558 | N550-Q554 PolarHBondContact O-N 2.95Å; N551-Q554 CarbonylContact O-C 3.58Å; N551-Q554 WeakPolarHBondContact O-CA 3.15Å; N551-Q554 WeakPolarHBondContact O-CB 3.26Å; N551-Q554 PolarHBondContact O-N 3.13Å; K552-Q554 PolarHBondContact O-N 3.28Å; Q554-E556 VanDerWaalsContact C-N 3.29Å; Q554-E556 PolarHBondContact O-N 2.76Å; Q554-R557 WeakPolarHBondContact O-CB 3.41Å; Q554-R557 PolarHBondContact O-N 2.82Å; Q554-R557 VanDerWaalsContact O-N 3.13Å; Q554-M558 WeakPolarHBondContact O-CG 3.21Å; Q554-M558 PolarHBondContact O-N 3.48Å |
| 555 | E | 84.8 | Confident | 89.3 | Confident | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.7 | -44.1 | 171.2 | -77.2 | 179.4 | 162.2 | 0 | 0 | 111 | N551 K552 R557 M558 L559 | N551-E555 WeakPolarHBondContact O-CG 3.38Å; N551-E555 PolarHBondContact O-N 3.41Å; K552-E555 PolarHBondContact O-N 3.17Å; E555-R557 VanDerWaalsContact C-N 3.33Å; E555-R557 PolarHBondContact O-N 3.37Å; E555-M558 HydrophobicContact CG-CE 4.21Å; E555-M558 CarbonylContact O-C 3.56Å; E555-M558 PolarHBondContact O-N 2.9Å; E555-L559 WeakPolarHBondContact O-CB 3.29Å; E555-L559 PolarHBondContact O-N 3.4Å |
| 556 | E | 86.2 | Confident | 89 | Confident | 105 Ų | 105 | 104.5 Ų | 104.5 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 177 | -161.1 | -167.8 | 146.7 | 0 | 0 | 112.3 | K552 Q554 L559 K560 | K552-E556 PolarHBondContact O-N 3.1Å; Q554-E556 VanDerWaalsContact C-N 3.29Å; Q554-E556 PolarHBondContact O-N 2.76Å; E556-L559 PolarHBondContact O-N 3.4Å; E556-K560 WeakPolarHBondContact O-CG 3.24Å; E556-K560 PolarHBondContact O-N 2.86Å; E556-K560 WeakPolarHBondContact OE1-CE 3.39Å; E556-K560 IonicContact OE1-NZ 3.36Å; E556-K560 PolarHBondContact OE1-NZ 2.87Å |
| 557 | R | 90.3 | Very high | 88.9 | Confident | 146 Ų | 146 | 104.3 Ų | 104.3 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.2 | -44.2 | 172.5 | -77 | -179.2 | -80.2 | 127.5 | -8.2 | 111.6 | K553 Q554 E555 L559 K560 Q561 | K553-R557 WeakPolarHBondContact O-CG 3.27Å; K553-R557 PolarHBondContact O-N 2.9Å; K553-R557 PolarHBondContact O-NE 3.27Å; Q554-R557 WeakPolarHBondContact O-CB 3.41Å; Q554-R557 PolarHBondContact O-N 2.82Å; Q554-R557 VanDerWaalsContact O-N 3.13Å; E555-R557 VanDerWaalsContact C-N 3.33Å; E555-R557 PolarHBondContact O-N 3.37Å; R557-L559 VanDerWaalsContact C-N 3.31Å; R557-L559 PolarHBondContact O-N 2.65Å; R557-K560 PolarHBondContact O-N 3.42Å; R557-Q561 WeakPolarHBondContact O-CB 3.32Å; R557-Q561 PolarHBondContact O-N 2.9Å |
| 558 | M | 88.2 | Confident | 88.7 | Confident | 89 Ų | 89 | 101.8 Ų | 101.8 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 175.5 | -68.6 | -166.5 | -57.4 | 0 | 0 | 111.4 | Q554 E555 Q561 I562 | Q554-M558 WeakPolarHBondContact O-CG 3.21Å; Q554-M558 PolarHBondContact O-N 3.48Å; E555-M558 HydrophobicContact CG-CE 4.21Å; E555-M558 CarbonylContact O-C 3.56Å; E555-M558 PolarHBondContact O-N 2.9Å; M558-Q561 CarbonylContact O-C 3.58Å; M558-Q561 WeakPolarHBondContact O-CB 3.48Å; M558-Q561 PolarHBondContact O-N 3.49Å; M558-I562 VanDerWaalsContact O-CG1 3.28Å; M558-I562 WeakPolarHBondContact O-CG1 3.32Å; M558-I562 PolarHBondContact O-N 3.1Å |
| 559 | L | 91.1 | Very high | 88.7 | Confident | 119 Ų | 119 | 102.2 Ų | 102.2 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.4 | -46 | 177.9 | -157.1 | 79.7 | 0 | 0 | 0 | 111 | E555 E556 R557 Q561 I562 E563 | E555-L559 WeakPolarHBondContact O-CB 3.29Å; E555-L559 PolarHBondContact O-N 3.4Å; E556-L559 PolarHBondContact O-N 3.4Å; R557-L559 VanDerWaalsContact C-N 3.31Å; R557-L559 PolarHBondContact O-N 2.65Å; L559-Q561 VanDerWaalsContact C-N 3.25Å; L559-Q561 PolarHBondContact O-N 3.24Å; L559-I562 PolarHBondContact O-N 3.47Å; L559-I562 VanDerWaalsContact O-N 3.16Å; L559-E563 PolarHBondContact O-N 3.46Å |
| 560 | K | 88.5 | Confident | 88.5 | Confident | 117 Ų | 117 | 102 Ų | 102 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -36.3 | 172.4 | -71.7 | 171.8 | -173.1 | 165.1 | 0 | 111.9 | E556 R557 N564 | E556-K560 WeakPolarHBondContact O-CG 3.24Å; E556-K560 PolarHBondContact O-N 2.86Å; E556-K560 WeakPolarHBondContact OE1-CE 3.39Å; E556-K560 IonicContact OE1-NZ 3.36Å; E556-K560 PolarHBondContact OE1-NZ 2.87Å; R557-K560 PolarHBondContact O-N 3.42Å; K560-N564 WeakPolarHBondContact O-CB 3.35Å; K560-N564 PolarHBondContact O-N 3.4Å |
| 561 | Q | 89.1 | Confident | 88.4 | Confident | 124 Ų | 124 | 103.5 Ų | 103.5 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.3 | -38.6 | 175.3 | -167.8 | 175.1 | -3.8 | 0 | 0 | 112 | R557 M558 L559 N564 L565 | R557-Q561 WeakPolarHBondContact O-CB 3.32Å; R557-Q561 PolarHBondContact O-N 2.9Å; M558-Q561 CarbonylContact O-C 3.58Å; M558-Q561 WeakPolarHBondContact O-CB 3.48Å; M558-Q561 PolarHBondContact O-N 3.49Å; L559-Q561 VanDerWaalsContact C-N 3.25Å; L559-Q561 PolarHBondContact O-N 3.24Å; Q561-N564 PolarHBondContact O-N 3.46Å; Q561-L565 HydrophobicContact CG-CD1 4.48Å; Q561-L565 WeakPolarHBondContact O-CB 3.16Å; Q561-L565 VanDerWaalsContact O-CG 3.25Å; Q561-L565 WeakPolarHBondContact O-CG 3.38Å; Q561-L565 PolarHBondContact O-N 2.84Å |
| 562 | I | 86.6 | Confident | 88.3 | Confident | 88 Ų | 88 | 103.7 Ų | 103.7 | 45% | 0.451 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 173.7 | -70.7 | 164.1 | 0 | 0 | 0 | 110.4 | M558 L559 L565 Q566 | M558-I562 VanDerWaalsContact O-CG1 3.28Å; M558-I562 WeakPolarHBondContact O-CG1 3.32Å; M558-I562 PolarHBondContact O-N 3.1Å; L559-I562 PolarHBondContact O-N 3.47Å; L559-I562 VanDerWaalsContact O-N 3.16Å; I562-L565 CarbonylContact O-C 3.57Å; I562-L565 PolarHBondContact O-N 2.87Å; I562-Q566 HydrophobicContact CG2-CG 4.39Å; I562-Q566 WeakPolarHBondContact O-CB 3.41Å; I562-Q566 WeakPolarHBondContact O-CG 3.37Å; I562-Q566 PolarHBondContact O-N 2.88Å |
| 563 | E | 87.3 | Confident | 88.3 | Confident | 116 Ų | 116 | 105.1 Ų | 105.1 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.3 | -175.9 | 173.2 | -150.4 | 0 | 0 | 111.2 | L559 L565 Q566 E567 | L559-E563 PolarHBondContact O-N 3.46Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-L565 PolarHBondContact O-N 2.82Å; E563-Q566 WeakPolarHBondContact O-CB 3.36Å; E563-Q566 PolarHBondContact O-N 3.36Å; E563-Q566 VanDerWaalsContact O-N 3.17Å; E563-E567 PolarHBondContact O-N 3.11Å |
| 564 | N | 90.1 | Very high | 88.1 | Confident | 96 Ų | 96 | 104.1 Ų | 104.1 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 173.2 | -173.6 | 16.8 | 0 | 0 | 0 | 111.8 | K560 Q561 Q566 E567 T568 | K560-N564 WeakPolarHBondContact O-CB 3.35Å; K560-N564 PolarHBondContact O-N 3.4Å; Q561-N564 PolarHBondContact O-N 3.46Å; N564-Q566 VanDerWaalsContact C-N 3.34Å; N564-Q566 PolarHBondContact O-N 3.14Å; N564-E567 WeakPolarHBondContact O-CB 3.38Å; N564-E567 PolarHBondContact O-N 2.84Å; N564-T568 WeakPolarHBondContact O-CG2 3.16Å; N564-T568 PolarHBondContact O-N 3.49Å |
| 565 | L | 89.4 | Confident | 88.1 | Confident | 100 Ų | 100 | 105.1 Ų | 105.1 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 174.9 | -75.2 | 171 | 0 | 0 | 0 | 112 | Q561 I562 E563 T568 E569 | Q561-L565 HydrophobicContact CG-CD1 4.48Å; Q561-L565 WeakPolarHBondContact O-CB 3.16Å; Q561-L565 VanDerWaalsContact O-CG 3.25Å; Q561-L565 WeakPolarHBondContact O-CG 3.38Å; Q561-L565 PolarHBondContact O-N 2.84Å; I562-L565 CarbonylContact O-C 3.57Å; I562-L565 PolarHBondContact O-N 2.87Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-L565 PolarHBondContact O-N 2.82Å; L565-T568 WeakPolarHBondContact CA-OG1 3.45Å; L565-T568 CarbonylContact O-C 3.5Å; L565-T568 PolarHBondContact O-N 3.27Å; L565-T568 PolarHBondContact O-OG1 3.36Å; L565-E569 WeakPolarHBondContact O-CB 3.45Å; L565-E569 PolarHBondContact O-N 2.75Å |
| 566 | Q | 84.6 | Confident | 88.2 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 174 | -76.2 | 179.2 | -54.3 | 0 | 0 | 111.3 | I562 E563 N564 E569 T570 | I562-Q566 HydrophobicContact CG2-CG 4.39Å; I562-Q566 WeakPolarHBondContact O-CB 3.41Å; I562-Q566 WeakPolarHBondContact O-CG 3.37Å; I562-Q566 PolarHBondContact O-N 2.88Å; E563-Q566 WeakPolarHBondContact O-CB 3.36Å; E563-Q566 PolarHBondContact O-N 3.36Å; E563-Q566 VanDerWaalsContact O-N 3.17Å; N564-Q566 VanDerWaalsContact C-N 3.34Å; N564-Q566 PolarHBondContact O-N 3.14Å; Q566-E569 WeakPolarHBondContact O-CB 3.48Å; Q566-E569 PolarHBondContact O-N 3.41Å; Q566-T570 WeakPolarHBondContact O-CG2 3.49Å; Q566-T570 PolarHBondContact O-N 3.32Å; Q566-T570 PolarHBondContact O-OG1 3.21Å |
| 567 | E | 86.7 | Confident | 88.4 | Confident | 103 Ų | 103 | 105.7 Ų | 105.7 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 172.2 | -73.4 | -176.6 | 176.4 | 0 | 0 | 111 | E563 N564 E569 T570 Q571 | E563-E567 PolarHBondContact O-N 3.11Å; N564-E567 WeakPolarHBondContact O-CB 3.38Å; N564-E567 PolarHBondContact O-N 2.84Å; E567-E569 VanDerWaalsContact C-N 3.31Å; E567-E569 PolarHBondContact O-N 2.78Å; E567-T570 WeakPolarHBondContact CA-OG1 3.2Å; E567-T570 PolarHBondContact O-N 2.82Å; E567-T570 VanDerWaalsContact O-N 3.16Å; E567-T570 PolarHBondContact O-OG1 3.42Å; E567-Q571 WeakPolarHBondContact O-CG 3.37Å; E567-Q571 PolarHBondContact O-N 2.85Å |
| 568 | T | 87.5 | Confident | 88.2 | Confident | 50 Ų | 50 | 106.4 Ų | 106.4 | 31% | 0.307 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 174.6 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | N564 L565 Q571 L572 | N564-T568 WeakPolarHBondContact O-CG2 3.16Å; N564-T568 PolarHBondContact O-N 3.49Å; L565-T568 WeakPolarHBondContact CA-OG1 3.45Å; L565-T568 CarbonylContact O-C 3.5Å; L565-T568 PolarHBondContact O-N 3.27Å; L565-T568 PolarHBondContact O-OG1 3.36Å; T568-Q571 PolarHBondContact O-N 3.26Å; T568-L572 WeakPolarHBondContact O-CB 3.29Å; T568-L572 VanDerWaalsContact O-CG 3.28Å; T568-L572 WeakPolarHBondContact O-CG 3.38Å; T568-L572 PolarHBondContact O-N 3.2Å |
| 569 | E | 90.1 | Very high | 88.2 | Confident | 89 Ų | 89 | 105.7 Ų | 105.7 | 42% | 0.416 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 174 | -169.4 | -165.8 | 154.6 | 0 | 0 | 110.8 | L565 Q566 E567 L572 R573 | L565-E569 WeakPolarHBondContact O-CB 3.45Å; L565-E569 PolarHBondContact O-N 2.75Å; Q566-E569 WeakPolarHBondContact O-CB 3.48Å; Q566-E569 PolarHBondContact O-N 3.41Å; E567-E569 VanDerWaalsContact C-N 3.31Å; E567-E569 PolarHBondContact O-N 2.78Å; E569-L572 PolarHBondContact O-N 2.87Å; E569-R573 WeakPolarHBondContact O-CB 3.26Å; E569-R573 WeakPolarHBondContact O-CG 3.45Å; E569-R573 PolarHBondContact O-N 3.48Å; E569-R573 IonicContact OE1-CZ 3.47Å; E569-R573 IonicContact OE1-NE 3.2Å; E569-R573 PolarHBondContact OE1-NE 3.08Å; E569-R573 IonicContact OE1-NH2 2.81Å; E569-R573 PolarHBondContact OE1-NH2 3.32Å |
| 570 | T | 87.6 | Confident | 88.1 | Confident | 72 Ų | 72 | 108.4 Ų | 108.4 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 175.3 | 62.2 | 0 | 0 | 0 | 0 | 112 | Q566 E567 R573 N574 | Q566-T570 WeakPolarHBondContact O-CG2 3.49Å; Q566-T570 PolarHBondContact O-N 3.32Å; Q566-T570 PolarHBondContact O-OG1 3.21Å; E567-T570 WeakPolarHBondContact CA-OG1 3.2Å; E567-T570 PolarHBondContact O-N 2.82Å; E567-T570 VanDerWaalsContact O-N 3.16Å; E567-T570 PolarHBondContact O-OG1 3.42Å; T570-R573 PolarHBondContact O-N 2.87Å; T570-N574 PolarHBondContact O-N 3.22Å; T570-N574 PolarHBondContact O-ND2 3.4Å |
| 571 | Q | 90 | Very high | 87.9 | Confident | 107 Ų | 107 | 107.3 Ų | 107.3 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 173.3 | -71 | 173.2 | 9 | 0 | 0 | 110.9 | E567 T568 R573 N574 E575 | E567-Q571 WeakPolarHBondContact O-CG 3.37Å; E567-Q571 PolarHBondContact O-N 2.85Å; T568-Q571 PolarHBondContact O-N 3.26Å; Q571-R573 VanDerWaalsContact C-N 3.31Å; Q571-R573 PolarHBondContact O-N 2.8Å; Q571-N574 WeakPolarHBondContact O-CB 3.25Å; Q571-N574 PolarHBondContact O-N 2.87Å; Q571-N574 VanDerWaalsContact O-N 3.14Å; Q571-E575 WeakPolarHBondContact O-CG 3.48Å; Q571-E575 PolarHBondContact O-N 3.38Å |
| 572 | L | 89.1 | Confident | 87.9 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 176 | -73.2 | 171.7 | 0 | 0 | 0 | 112.5 | T568 E569 E575 L576 | T568-L572 WeakPolarHBondContact O-CB 3.29Å; T568-L572 VanDerWaalsContact O-CG 3.28Å; T568-L572 WeakPolarHBondContact O-CG 3.38Å; T568-L572 PolarHBondContact O-N 3.2Å; E569-L572 PolarHBondContact O-N 2.87Å; L572-E575 PolarHBondContact O-N 2.87Å; L572-L576 WeakPolarHBondContact O-CB 3.32Å; L572-L576 VanDerWaalsContact O-CG 3.29Å; L572-L576 WeakPolarHBondContact O-CG 3.4Å; L572-L576 PolarHBondContact O-N 2.92Å |
| 573 | R | 89.3 | Confident | 88 | Confident | 153 Ų | 153 | 106.4 Ų | 106.4 | 58% | 0.577 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.5 | -44.2 | 173.6 | -79 | 171.6 | -179.2 | -89.9 | 1.9 | 111.3 | E569 T570 Q571 E575 L576 E577 | E569-R573 WeakPolarHBondContact O-CB 3.26Å; E569-R573 WeakPolarHBondContact O-CG 3.45Å; E569-R573 PolarHBondContact O-N 3.48Å; E569-R573 IonicContact OE1-CZ 3.47Å; E569-R573 IonicContact OE1-NE 3.2Å; E569-R573 PolarHBondContact OE1-NE 3.08Å; E569-R573 IonicContact OE1-NH2 2.81Å; E569-R573 PolarHBondContact OE1-NH2 3.32Å; T570-R573 PolarHBondContact O-N 2.87Å; Q571-R573 VanDerWaalsContact C-N 3.31Å; Q571-R573 PolarHBondContact O-N 2.8Å; R573-E575 VanDerWaalsContact C-N 3.34Å; R573-L576 PolarHBondContact O-N 3.23Å; R573-E577 WeakPolarHBondContact O-CB 3.29Å; R573-E577 PolarHBondContact O-N 2.89Å |
| 574 | N | 86.4 | Confident | 88.1 | Confident | 110 Ų | 110 | 105.7 Ų | 105.7 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 175.3 | -66.7 | -23.4 | 0 | 0 | 0 | 111.3 | T570 Q571 E577 Y578 | T570-N574 PolarHBondContact O-N 3.22Å; T570-N574 PolarHBondContact O-ND2 3.4Å; Q571-N574 WeakPolarHBondContact O-CB 3.25Å; Q571-N574 PolarHBondContact O-N 2.87Å; Q571-N574 VanDerWaalsContact O-N 3.14Å; N574-E577 PolarHBondContact O-N 3.27Å; N574-Y578 WeakPolarHBondContact O-CB 3.39Å; N574-Y578 PolarHBondContact O-N 3.43Å |
| 575 | E | 87.1 | Confident | 88 | Confident | 110 Ų | 110 | 107.9 Ų | 107.9 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 173.1 | -72.8 | 175.4 | -162.2 | 0 | 0 | 111.8 | Q571 L572 R573 E577 Y578 V579 | Q571-E575 WeakPolarHBondContact O-CG 3.48Å; Q571-E575 PolarHBondContact O-N 3.38Å; L572-E575 PolarHBondContact O-N 2.87Å; R573-E575 VanDerWaalsContact C-N 3.34Å; E575-E577 VanDerWaalsContact C-N 3.34Å; E575-E577 PolarHBondContact O-N 2.86Å; E575-Y578 WeakPolarHBondContact O-CB 3.33Å; E575-Y578 PolarHBondContact O-N 2.82Å; E575-V579 WeakPolarHBondContact O-CB 3.45Å; E575-V579 VanDerWaalsContact O-CG2 3.25Å; E575-V579 WeakPolarHBondContact O-CG2 3.38Å; E575-V579 PolarHBondContact O-N 2.68Å |
| 576 | L | 87.7 | Confident | 87.8 | Confident | 103 Ų | 103 | 108 Ų | 108 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 174.9 | -79.7 | 172.3 | 0 | 0 | 0 | 112.1 | L572 R573 R580 | L572-L576 WeakPolarHBondContact O-CB 3.32Å; L572-L576 VanDerWaalsContact O-CG 3.29Å; L572-L576 WeakPolarHBondContact O-CG 3.4Å; L572-L576 PolarHBondContact O-N 2.92Å; R573-L576 PolarHBondContact O-N 3.23Å; L576-R580 VanDerWaalsContact O-CB 3.29Å; L576-R580 WeakPolarHBondContact O-CB 3.4Å; L576-R580 WeakPolarHBondContact O-CG 3.44Å; L576-R580 PolarHBondContact O-N 3.28Å |
| 577 | E | 89.9 | Confident | 87.6 | Confident | 122 Ų | 122 | 111 Ų | 111 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -46 | 173.2 | -167.2 | 103.5 | -122.5 | 0 | 0 | 110.5 | R573 N574 E575 R580 E581 | R573-E577 WeakPolarHBondContact O-CB 3.29Å; R573-E577 PolarHBondContact O-N 2.89Å; N574-E577 PolarHBondContact O-N 3.27Å; E575-E577 VanDerWaalsContact C-N 3.34Å; E575-E577 PolarHBondContact O-N 2.86Å; E577-R580 WeakPolarHBondContact O-CB 3.46Å; E577-R580 PolarHBondContact O-N 2.86Å; E577-E581 PolarHBondContact O-N 2.85Å |
| 578 | Y | 87.1 | Confident | 87.6 | Confident | 161 Ų | 161 | 110.2 Ų | 110.2 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.1 | -49.3 | 174.8 | 179.4 | -95.9 | 0 | 0 | 0 | 111.6 | N574 E575 R580 E581 E582 | N574-Y578 WeakPolarHBondContact O-CB 3.39Å; N574-Y578 PolarHBondContact O-N 3.43Å; E575-Y578 WeakPolarHBondContact O-CB 3.33Å; E575-Y578 PolarHBondContact O-N 2.82Å; Y578-R580 VanDerWaalsContact C-N 3.3Å; Y578-R580 PolarHBondContact O-N 3.28Å; Y578-E581 PolarHBondContact O-N 3.17Å; Y578-E582 WeakPolarHBondContact O-CB 3.45Å; Y578-E582 PolarHBondContact O-N 3.5Å |
| 579 | V | 87.1 | Confident | 87.6 | Confident | 74 Ų | 74 | 111.1 Ų | 111.1 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | E575 E582 L583 | E575-V579 WeakPolarHBondContact O-CB 3.45Å; E575-V579 VanDerWaalsContact O-CG2 3.25Å; E575-V579 WeakPolarHBondContact O-CG2 3.38Å; E575-V579 PolarHBondContact O-N 2.68Å; V579-E582 PolarHBondContact O-N 3.5Å; V579-L583 WeakPolarHBondContact O-CB 3.37Å; V579-L583 PolarHBondContact O-N 3.42Å |
| 580 | R | 89.1 | Confident | 87.4 | Confident | 176 Ų | 176 | 111.2 Ų | 111.2 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -45.4 | 175 | -84.1 | 173.7 | 179.7 | 179.6 | 2.5 | 112 | L576 E577 Y578 L583 K584 | L576-R580 VanDerWaalsContact O-CB 3.29Å; L576-R580 WeakPolarHBondContact O-CB 3.4Å; L576-R580 WeakPolarHBondContact O-CG 3.44Å; L576-R580 PolarHBondContact O-N 3.28Å; E577-R580 WeakPolarHBondContact O-CB 3.46Å; E577-R580 PolarHBondContact O-N 2.86Å; Y578-R580 VanDerWaalsContact C-N 3.3Å; Y578-R580 PolarHBondContact O-N 3.28Å; R580-L583 PolarHBondContact O-N 2.8Å; R580-K584 WeakPolarHBondContact O-CB 3.3Å; R580-K584 PolarHBondContact O-N 3.21Å |
| 581 | E | 85.3 | Confident | 87.6 | Confident | 94 Ų | 94 | 113.7 Ų | 113.7 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 175.2 | -83.9 | -58.6 | 157.3 | 0 | 0 | 111.7 | E577 Y578 L583 K584 Q585 | E577-E581 PolarHBondContact O-N 2.85Å; Y578-E581 PolarHBondContact O-N 3.17Å; E581-L583 VanDerWaalsContact C-N 3.33Å; E581-L583 PolarHBondContact O-N 3.2Å; E581-K584 PolarHBondContact O-N 2.91Å; E581-K584 IonicContact OE1-NZ 3.37Å; E581-K584 PolarHBondContact OE1-NZ 2.85Å; E581-K584 IonicContact OE2-NZ 2.56Å; E581-K584 PolarHBondContact OE2-NZ 3.43Å; E581-Q585 WeakPolarHBondContact O-CB 3.36Å; E581-Q585 PolarHBondContact O-N 3.38Å |
| 582 | E | 87.8 | Confident | 87.2 | Confident | 85 Ų | 85 | 112.6 Ų | 112.6 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 172.5 | -159.2 | -167.8 | 167.1 | 0 | 0 | 110.8 | Y578 V579 K584 Q585 K586 | Y578-E582 WeakPolarHBondContact O-CB 3.45Å; Y578-E582 PolarHBondContact O-N 3.5Å; V579-E582 PolarHBondContact O-N 3.5Å; E582-K584 VanDerWaalsContact C-N 3.34Å; E582-K584 PolarHBondContact O-N 3.02Å; E582-Q585 CarbonylContact O-C 3.54Å; E582-Q585 PolarHBondContact O-N 2.85Å; E582-K586 WeakPolarHBondContact O-CB 3.21Å; E582-K586 VanDerWaalsContact O-CG 3.29Å; E582-K586 WeakPolarHBondContact O-CG 3.38Å; E582-K586 PolarHBondContact O-N 3.39Å |
| 583 | L | 88.7 | Confident | 87 | Confident | 107 Ų | 107 | 113.9 Ų | 113.9 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.5 | -33.1 | 177.5 | -165.5 | 143.4 | 0 | 0 | 0 | 112.1 | V579 R580 E581 R587 | V579-L583 WeakPolarHBondContact O-CB 3.37Å; V579-L583 PolarHBondContact O-N 3.42Å; R580-L583 PolarHBondContact O-N 2.8Å; E581-L583 VanDerWaalsContact C-N 3.33Å; E581-L583 PolarHBondContact O-N 3.2Å; L583-R587 VanDerWaalsContact O-CB 3.24Å; L583-R587 WeakPolarHBondContact O-CB 3.46Å; L583-R587 PolarHBondContact O-N 2.88Å |
| 584 | K | 88.8 | Confident | 86.9 | Confident | 102 Ų | 102 | 111.3 Ų | 111.3 | 44% | 0.443 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 172.4 | -177.1 | 171.3 | 150.8 | -144.6 | 0 | 111.1 | R580 E581 E582 K586 R587 D588 | R580-K584 WeakPolarHBondContact O-CB 3.3Å; R580-K584 PolarHBondContact O-N 3.21Å; E581-K584 PolarHBondContact O-N 2.91Å; E581-K584 IonicContact OE1-NZ 3.37Å; E581-K584 PolarHBondContact OE1-NZ 2.85Å; E581-K584 IonicContact OE2-NZ 2.56Å; E581-K584 PolarHBondContact OE2-NZ 3.43Å; E582-K584 VanDerWaalsContact C-N 3.34Å; E582-K584 PolarHBondContact O-N 3.02Å; K584-K586 PolarHBondContact O-N 3.43Å; K584-R587 WeakPolarHBondContact O-CB 3.29Å; K584-R587 PolarHBondContact O-N 3.11Å; K584-D588 PolarHBondContact O-N 2.9Å |
| 585 | Q | 88.1 | Confident | 86.8 | Confident | 142 Ų | 142 | 109.8 Ų | 109.8 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -40.6 | 173.5 | -169.4 | 165.4 | 8.2 | 0 | 0 | 111.6 | E581 E582 D588 E589 | E581-Q585 WeakPolarHBondContact O-CB 3.36Å; E581-Q585 PolarHBondContact O-N 3.38Å; E582-Q585 CarbonylContact O-C 3.54Å; E582-Q585 PolarHBondContact O-N 2.85Å; Q585-D588 PolarHBondContact O-N 2.76Å; Q585-E589 VanDerWaalsContact O-CB 3.23Å; Q585-E589 WeakPolarHBondContact O-CB 3.48Å; Q585-E589 PolarHBondContact O-N 3.39Å |
| 586 | K | 86.5 | Confident | 86.6 | Confident | 102 Ų | 102 | 111.2 Ų | 111.2 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 171.7 | -73.9 | -50.2 | -170.7 | -163.9 | 0 | 112.2 | E582 K584 E589 V590 | E582-K586 WeakPolarHBondContact O-CB 3.21Å; E582-K586 VanDerWaalsContact O-CG 3.29Å; E582-K586 WeakPolarHBondContact O-CG 3.38Å; E582-K586 PolarHBondContact O-N 3.39Å; K584-K586 PolarHBondContact O-N 3.43Å; K586-E589 WeakPolarHBondContact CD-OE2 3.33Å; K586-E589 IonicContact NZ-OE2 3.06Å; K586-E589 PolarHBondContact NZ-OE2 3.36Å; K586-E589 PolarHBondContact O-N 3.44Å; K586-V590 VanDerWaalsContact O-CB 3.32Å; K586-V590 WeakPolarHBondContact O-CB 3.41Å; K586-V590 WeakPolarHBondContact O-CG2 3.35Å; K586-V590 PolarHBondContact O-N 3.47Å |
| 587 | R | 80.7 | Confident | 86.2 | Confident | 173 Ų | 173 | 108.9 Ų | 108.9 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -47 | 173.8 | 174.9 | -170.5 | -71.1 | -154.9 | -2.2 | 110.4 | L583 K584 V590 K591 | L583-R587 VanDerWaalsContact O-CB 3.24Å; L583-R587 WeakPolarHBondContact O-CB 3.46Å; L583-R587 PolarHBondContact O-N 2.88Å; K584-R587 WeakPolarHBondContact O-CB 3.29Å; K584-R587 PolarHBondContact O-N 3.11Å; R587-V590 PolarHBondContact O-N 2.95Å; R587-K591 VanDerWaalsContact O-CB 3.3Å; R587-K591 WeakPolarHBondContact O-CB 3.25Å; R587-K591 PolarHBondContact O-N 2.74Å |
| 588 | D | 86.5 | Confident | 85.9 | Confident | 87 Ų | 87 | 108.3 Ų | 108.3 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 178.8 | -66.9 | -20.4 | 0 | 0 | 0 | 111.3 | K584 Q585 K591 C592 | K584-D588 PolarHBondContact O-N 2.9Å; Q585-D588 PolarHBondContact O-N 2.76Å; D588-K591 WeakPolarHBondContact O-CB 3.37Å; D588-K591 PolarHBondContact O-N 2.82Å; D588-C592 WeakPolarHBondContact O-CB 3.37Å; D588-C592 PolarHBondContact O-N 2.72Å; D588-C592 PolarHBondContact O-SG 3.24Å |
| 589 | E | 87.1 | Confident | 85.8 | Confident | 70 Ų | 70 | 106.7 Ų | 106.7 | 33% | 0.327 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 172.5 | -170.6 | -171.7 | 168.1 | 0 | 0 | 111.3 | Q585 K586 C592 K593 | Q585-E589 VanDerWaalsContact O-CB 3.23Å; Q585-E589 WeakPolarHBondContact O-CB 3.48Å; Q585-E589 PolarHBondContact O-N 3.39Å; K586-E589 WeakPolarHBondContact CD-OE2 3.33Å; K586-E589 IonicContact NZ-OE2 3.06Å; K586-E589 PolarHBondContact NZ-OE2 3.36Å; K586-E589 PolarHBondContact O-N 3.44Å; E589-C592 PolarHBondContact O-N 2.9Å; E589-K593 HydrophobicContact CG-CD 4.37Å; E589-K593 WeakPolarHBondContact O-CB 3.43Å; E589-K593 VanDerWaalsContact O-CG 3.27Å; E589-K593 WeakPolarHBondContact O-CG 3.43Å; E589-K593 PolarHBondContact O-N 3.45Å; E589-K593 WeakPolarHBondContact OE1-CE 3.28Å; E589-K593 IonicContact OE1-NZ 2.68Å; E589-K593 PolarHBondContact OE1-NZ 2.89Å |
| 590 | V | 85.9 | Confident | 85.8 | Confident | 90 Ų | 90 | 107.5 Ų | 107.5 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | K586 R587 K593 L594 | K586-V590 VanDerWaalsContact O-CB 3.32Å; K586-V590 WeakPolarHBondContact O-CB 3.41Å; K586-V590 WeakPolarHBondContact O-CG2 3.35Å; K586-V590 PolarHBondContact O-N 3.47Å; R587-V590 PolarHBondContact O-N 2.95Å; V590-K593 PolarHBondContact O-N 2.96Å; V590-L594 VanDerWaalsContact O-CB 3.28Å; V590-L594 WeakPolarHBondContact O-CB 3.46Å; V590-L594 PolarHBondContact O-N 3.46Å |
| 591 | K | 91 | Very high | 85.5 | Confident | 125 Ų | 125 | 102.3 Ų | 102.3 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -50 | 173.4 | -176.9 | 98.9 | -177.3 | -172.4 | 0 | 110.7 | R587 D588 K593 L594 D595 | R587-K591 VanDerWaalsContact O-CB 3.3Å; R587-K591 WeakPolarHBondContact O-CB 3.25Å; R587-K591 PolarHBondContact O-N 2.74Å; D588-K591 WeakPolarHBondContact O-CB 3.37Å; D588-K591 PolarHBondContact O-N 2.82Å; K591-K593 VanDerWaalsContact C-N 3.34Å; K591-K593 PolarHBondContact O-N 2.79Å; K591-L594 WeakPolarHBondContact O-CB 3.35Å; K591-L594 PolarHBondContact O-N 2.98Å; K591-L594 VanDerWaalsContact O-N 3.17Å; K591-D595 WeakPolarHBondContact O-CB 3.4Å; K591-D595 VanDerWaalsContact O-CG 3.25Å; K591-D595 PolarHBondContact O-N 2.89Å |
| 592 | C | 82 | Confident | 85.5 | Confident | 84 Ų | 84 | 101 Ų | 101 | 57% | 0.568 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -39.3 | 177.5 | -70 | 0 | 0 | 0 | 0 | 112.1 | D588 E589 K596 | D588-C592 WeakPolarHBondContact O-CB 3.37Å; D588-C592 PolarHBondContact O-N 2.72Å; D588-C592 PolarHBondContact O-SG 3.24Å; E589-C592 PolarHBondContact O-N 2.9Å; C592-K596 WeakPolarHBondContact O-CB 3.43Å; C592-K596 PolarHBondContact O-N 3.35Å |
| 593 | K | 84.2 | Confident | 85.4 | Confident | 122 Ų | 122 | 101 Ų | 101 | 53% | 0.53 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 174.1 | -76.3 | 175.1 | -176.1 | 171.8 | 0 | 111.4 | E589 V590 K591 S597 | E589-K593 HydrophobicContact CG-CD 4.37Å; E589-K593 WeakPolarHBondContact O-CB 3.43Å; E589-K593 VanDerWaalsContact O-CG 3.27Å; E589-K593 WeakPolarHBondContact O-CG 3.43Å; E589-K593 PolarHBondContact O-N 3.45Å; E589-K593 WeakPolarHBondContact OE1-CE 3.28Å; E589-K593 IonicContact OE1-NZ 2.68Å; E589-K593 PolarHBondContact OE1-NZ 2.89Å; V590-K593 PolarHBondContact O-N 2.96Å; K591-K593 VanDerWaalsContact C-N 3.34Å; K591-K593 PolarHBondContact O-N 2.79Å; K593-S597 WeakPolarHBondContact O-CB 3.3Å; K593-S597 PolarHBondContact O-N 2.92Å; K593-S597 PolarHBondContact O-OG 2.8Å |
| 594 | L | 87.4 | Confident | 85 | Confident | 99 Ų | 99 | 100.6 Ų | 100.6 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -51.7 | 177.3 | -176.4 | 64.6 | 0 | 0 | 0 | 110.3 | V590 K591 K596 S597 E598 | V590-L594 VanDerWaalsContact O-CB 3.28Å; V590-L594 WeakPolarHBondContact O-CB 3.46Å; V590-L594 PolarHBondContact O-N 3.46Å; K591-L594 WeakPolarHBondContact O-CB 3.35Å; K591-L594 PolarHBondContact O-N 2.98Å; K591-L594 VanDerWaalsContact O-N 3.17Å; L594-K596 VanDerWaalsContact C-N 3.31Å; L594-K596 PolarHBondContact O-N 2.83Å; L594-S597 WeakPolarHBondContact CA-OG 3.36Å; L594-S597 CarbonylContact O-C 3.54Å; L594-S597 WeakPolarHBondContact O-CA 3.39Å; L594-S597 PolarHBondContact O-N 3.27Å; L594-S597 PolarHBondContact O-OG 3.45Å; L594-E598 WeakPolarHBondContact O-CB 3.36Å; L594-E598 PolarHBondContact O-N 3.24Å |
| 595 | D | 85.2 | Confident | 85 | Confident | 78 Ų | 78 | 103.4 Ų | 103.4 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 178.5 | -65.5 | -16 | 0 | 0 | 0 | 110.8 | K591 E598 E599 | K591-D595 WeakPolarHBondContact O-CB 3.4Å; K591-D595 VanDerWaalsContact O-CG 3.25Å; K591-D595 PolarHBondContact O-N 2.89Å; D595-E598 PolarHBondContact O-N 2.88Å; D595-E599 WeakPolarHBondContact O-CB 3.22Å; D595-E599 PolarHBondContact O-N 2.81Å |
| 596 | K | 83.4 | Confident | 84.7 | Confident | 140 Ų | 140 | 103.1 Ų | 103.1 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -37.2 | 175.3 | -168.5 | 169.9 | -171.3 | 170.4 | 0 | 112.6 | C592 L594 N600 | C592-K596 WeakPolarHBondContact O-CB 3.43Å; C592-K596 PolarHBondContact O-N 3.35Å; L594-K596 VanDerWaalsContact C-N 3.31Å; L594-K596 PolarHBondContact O-N 2.83Å; K596-N600 VanDerWaalsContact O-CB 3.27Å; K596-N600 WeakPolarHBondContact O-CB 3.47Å; K596-N600 VanDerWaalsContact O-CG 3.3Å; K596-N600 PolarHBondContact O-N 2.77Å |
| 597 | S | 78.4 | Confident | 84.6 | Confident | 53 Ų | 53 | 102.7 Ų | 102.7 | 37% | 0.371 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.3 | -34.2 | 175.4 | 78.5 | 0 | 0 | 0 | 0 | 111.9 | K593 L594 C601 | K593-S597 WeakPolarHBondContact O-CB 3.3Å; K593-S597 PolarHBondContact O-N 2.92Å; K593-S597 PolarHBondContact O-OG 2.8Å; L594-S597 WeakPolarHBondContact CA-OG 3.36Å; L594-S597 CarbonylContact O-C 3.54Å; L594-S597 WeakPolarHBondContact O-CA 3.39Å; L594-S597 PolarHBondContact O-N 3.27Å; L594-S597 PolarHBondContact O-OG 3.45Å; S597-C601 VanDerWaalsContact O-CB 3.29Å; S597-C601 WeakPolarHBondContact O-CB 3.38Å; S597-C601 PolarHBondContact O-N 2.83Å; S597-C601 PolarHBondContact O-SG 2.66Å |
| 598 | E | 84 | Confident | 84.6 | Confident | 110 Ų | 110 | 98.8 Ų | 98.8 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.3 | -41.2 | 177.2 | -173.9 | 166 | -164.9 | 0 | 0 | 110.5 | L594 D595 C601 N602 | L594-E598 WeakPolarHBondContact O-CB 3.36Å; L594-E598 PolarHBondContact O-N 3.24Å; D595-E598 PolarHBondContact O-N 2.88Å; E598-C601 CarbonylContact O-C 3.59Å; E598-C601 PolarHBondContact O-N 3.34Å; E598-N602 WeakPolarHBondContact O-CB 3.48Å; E598-N602 VanDerWaalsContact O-CG 3.31Å; E598-N602 PolarHBondContact O-N 3.48Å; E598-N602 PolarHBondContact O-ND2 3.38Å |
| 599 | E | 85.6 | Confident | 84.4 | Confident | 128 Ų | 128 | 99.8 Ų | 99.8 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 171.5 | -170.7 | 165.3 | -154.7 | 0 | 0 | 111.8 | D595 N602 N603 | D595-E599 WeakPolarHBondContact O-CB 3.22Å; D595-E599 PolarHBondContact O-N 2.81Å; E599-N602 PolarHBondContact O-N 3.17Å; E599-N603 WeakPolarHBondContact O-CB 3.46Å; E599-N603 PolarHBondContact O-N 3.34Å; E599-N603 PolarHBondContact O-ND2 3.34Å |
| 600 | N | 85.8 | Confident | 84.3 | Confident | 90 Ų | 90 | 101.5 Ų | 101.5 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 171 | -83.4 | -9.5 | 0 | 0 | 0 | 111.9 | K596 N602 N603 L604 | K596-N600 VanDerWaalsContact O-CB 3.27Å; K596-N600 WeakPolarHBondContact O-CB 3.47Å; K596-N600 VanDerWaalsContact O-CG 3.3Å; K596-N600 PolarHBondContact O-N 2.77Å; N600-N602 VanDerWaalsContact C-N 3.31Å; N600-N602 PolarHBondContact O-N 2.88Å; N600-N603 PolarHBondContact O-N 3.16Å; N600-L604 WeakPolarHBondContact O-CB 3.25Å; N600-L604 VanDerWaalsContact O-CG 3.31Å; N600-L604 WeakPolarHBondContact O-CG 3.4Å; N600-L604 PolarHBondContact O-N 2.88Å |
| 601 | C | 82.3 | Confident | 84.4 | Confident | 68 Ų | 68 | 102.5 Ų | 102.5 | 46% | 0.459 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 175.4 | -76.7 | 0 | 0 | 0 | 0 | 111.5 | S597 E598 R605 | S597-C601 VanDerWaalsContact O-CB 3.29Å; S597-C601 WeakPolarHBondContact O-CB 3.38Å; S597-C601 PolarHBondContact O-N 2.83Å; S597-C601 PolarHBondContact O-SG 2.66Å; E598-C601 CarbonylContact O-C 3.59Å; E598-C601 PolarHBondContact O-N 3.34Å; C601-R605 WeakPolarHBondContact O-CB 3.26Å; C601-R605 PolarHBondContact O-N 3.4Å |
| 602 | N | 86.2 | Confident | 84.2 | Confident | 66 Ų | 66 | 100.2 Ų | 100.2 | 35% | 0.353 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 175.1 | -79.4 | -30.6 | 0 | 0 | 0 | 111.8 | E598 E599 N600 R605 K606 | E598-N602 WeakPolarHBondContact O-CB 3.48Å; E598-N602 VanDerWaalsContact O-CG 3.31Å; E598-N602 PolarHBondContact O-N 3.48Å; E598-N602 PolarHBondContact O-ND2 3.38Å; E599-N602 PolarHBondContact O-N 3.17Å; N600-N602 VanDerWaalsContact C-N 3.31Å; N600-N602 PolarHBondContact O-N 2.88Å; N602-R605 PolarHBondContact O-N 2.78Å; N602-K606 WeakPolarHBondContact O-CB 3.34Å; N602-K606 WeakPolarHBondContact O-CG 3.28Å; N602-K606 PolarHBondContact O-N 2.87Å |
| 603 | N | 85.8 | Confident | 84.4 | Confident | 84 Ų | 84 | 101.6 Ų | 101.6 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 173.9 | -77.3 | -38.6 | 0 | 0 | 0 | 111.7 | E599 N600 R605 K606 Q607 | E599-N603 WeakPolarHBondContact O-CB 3.46Å; E599-N603 PolarHBondContact O-N 3.34Å; E599-N603 PolarHBondContact O-ND2 3.34Å; N600-N603 PolarHBondContact O-N 3.16Å; N603-R605 VanDerWaalsContact C-N 3.35Å; N603-K606 PolarHBondContact O-N 2.97Å; N603-Q607 WeakPolarHBondContact O-CB 3.49Å; N603-Q607 PolarHBondContact O-N 3.48Å |
| 604 | L | 80.9 | Confident | 84.2 | Confident | 100 Ų | 100 | 102.4 Ų | 102.4 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 173.6 | -74 | 173.3 | 0 | 0 | 0 | 111.2 | N600 Q607 V608 | N600-L604 WeakPolarHBondContact O-CB 3.25Å; N600-L604 VanDerWaalsContact O-CG 3.31Å; N600-L604 WeakPolarHBondContact O-CG 3.4Å; N600-L604 PolarHBondContact O-N 2.88Å; L604-Q607 PolarHBondContact O-N 3.41Å; L604-V608 VanDerWaalsContact O-CB 3.28Å; L604-V608 WeakPolarHBondContact O-CB 3.31Å; L604-V608 WeakPolarHBondContact O-CG2 3.46Å; L604-V608 PolarHBondContact O-N 3.43Å |
| 605 | R | 87 | Confident | 83.7 | Confident | 160 Ų | 160 | 101.5 Ų | 101.5 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.6 | -48.2 | 175.1 | -172.4 | -178.1 | -59.7 | 176 | 3.6 | 110.7 | C601 N602 N603 Q607 V608 E609 | C601-R605 WeakPolarHBondContact O-CB 3.26Å; C601-R605 PolarHBondContact O-N 3.4Å; N602-R605 PolarHBondContact O-N 2.78Å; N603-R605 VanDerWaalsContact C-N 3.35Å; R605-Q607 VanDerWaalsContact C-N 3.33Å; R605-Q607 PolarHBondContact O-N 3.28Å; R605-V608 PolarHBondContact O-N 2.74Å; R605-E609 WeakPolarHBondContact O-CB 3.41Å; R605-E609 PolarHBondContact O-N 2.84Å |
| 606 | K | 83.2 | Confident | 83.4 | Confident | 136 Ų | 136 | 103 Ų | 103 | 59% | 0.591 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 173.4 | -73.9 | 177.4 | -178.6 | 177 | 0 | 112.1 | N602 N603 E609 N610 | N602-K606 WeakPolarHBondContact O-CB 3.34Å; N602-K606 WeakPolarHBondContact O-CG 3.28Å; N602-K606 PolarHBondContact O-N 2.87Å; N603-K606 PolarHBondContact O-N 2.97Å; K606-E609 PolarHBondContact O-N 3.26Å; K606-N610 WeakPolarHBondContact O-CB 3.47Å; K606-N610 PolarHBondContact O-N 2.84Å |
| 607 | Q | 83.7 | Confident | 83.2 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.3 | -43.2 | 178.6 | -167.4 | -169.6 | 77.5 | 0 | 0 | 111.7 | N603 L604 R605 E609 N610 K611 | N603-Q607 WeakPolarHBondContact O-CB 3.49Å; N603-Q607 PolarHBondContact O-N 3.48Å; L604-Q607 PolarHBondContact O-N 3.41Å; R605-Q607 VanDerWaalsContact C-N 3.33Å; R605-Q607 PolarHBondContact O-N 3.28Å; Q607-E609 VanDerWaalsContact C-N 3.32Å; Q607-N610 PolarHBondContact O-N 2.8Å; Q607-K611 HydrophobicContact CG-CD 4.17Å; Q607-K611 VanDerWaalsContact O-CB 3.28Å; Q607-K611 WeakPolarHBondContact O-CB 3.46Å; Q607-K611 VanDerWaalsContact O-CG 3.27Å; Q607-K611 WeakPolarHBondContact O-CG 3.35Å; Q607-K611 PolarHBondContact O-N 3.02Å |
| 608 | V | 80.7 | Confident | 83 | Confident | 90 Ų | 90 | 102.7 Ų | 102.7 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 175.3 | 168.5 | 0 | 0 | 0 | 0 | 109.7 | L604 R605 K611 N612 | L604-V608 VanDerWaalsContact O-CB 3.28Å; L604-V608 WeakPolarHBondContact O-CB 3.31Å; L604-V608 WeakPolarHBondContact O-CG2 3.46Å; L604-V608 PolarHBondContact O-N 3.43Å; R605-V608 PolarHBondContact O-N 2.74Å; V608-K611 CarbonylContact O-C 3.57Å; V608-K611 PolarHBondContact O-N 2.9Å; V608-N612 WeakPolarHBondContact O-CA 3.29Å; V608-N612 WeakPolarHBondContact O-CB 3.45Å; V608-N612 PolarHBondContact O-N 3.09Å |
| 609 | E | 82.9 | Confident | 82.7 | Confident | 108 Ų | 108 | 103.3 Ų | 103.3 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 178.5 | -167.2 | 154 | -161.7 | 0 | 0 | 112 | R605 K606 Q607 N612 K613 | R605-E609 WeakPolarHBondContact O-CB 3.41Å; R605-E609 PolarHBondContact O-N 2.84Å; K606-E609 PolarHBondContact O-N 3.26Å; Q607-E609 VanDerWaalsContact C-N 3.32Å; E609-N612 PolarHBondContact O-N 3.37Å; E609-K613 WeakPolarHBondContact O-CG 3.49Å; E609-K613 PolarHBondContact O-N 2.92Å |
| 610 | N | 85.7 | Confident | 82.5 | Confident | 106 Ų | 106 | 104.6 Ų | 104.6 | 57% | 0.567 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.6 | -45 | 171 | -76.9 | -7.9 | 0 | 0 | 0 | 112.2 | K606 Q607 N612 K613 Y614 | K606-N610 WeakPolarHBondContact O-CB 3.47Å; K606-N610 PolarHBondContact O-N 2.84Å; Q607-N610 PolarHBondContact O-N 2.8Å; N610-N612 VanDerWaalsContact C-N 3.28Å; N610-N612 PolarHBondContact O-N 2.63Å; N610-K613 PolarHBondContact O-N 3.5Å; N610-Y614 WeakPolarHBondContact O-CB 3.43Å; N610-Y614 PolarHBondContact O-N 2.84Å |
| 611 | K | 86.3 | Confident | 82.1 | Confident | 111 Ų | 111 | 105.4 Ų | 105.4 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -35.3 | 175 | -76.5 | 174.3 | 175.7 | 171.3 | 0 | 111.2 | Q607 V608 Y614 I615 | Q607-K611 HydrophobicContact CG-CD 4.17Å; Q607-K611 VanDerWaalsContact O-CB 3.28Å; Q607-K611 WeakPolarHBondContact O-CB 3.46Å; Q607-K611 VanDerWaalsContact O-CG 3.27Å; Q607-K611 WeakPolarHBondContact O-CG 3.35Å; Q607-K611 PolarHBondContact O-N 3.02Å; V608-K611 CarbonylContact O-C 3.57Å; V608-K611 PolarHBondContact O-N 2.9Å; K611-Y614 PolarHBondContact O-N 2.91Å; K611-I615 WeakPolarHBondContact O-CB 3.4Å; K611-I615 WeakPolarHBondContact O-CD1 3.5Å; K611-I615 WeakPolarHBondContact O-CG1 3.3Å; K611-I615 PolarHBondContact O-N 2.86Å |
| 612 | N | 87.1 | Confident | 81.9 | Confident | 77 Ų | 77 | 107 Ų | 107 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.6 | -43.7 | 177.6 | -168.5 | 76.4 | 0 | 0 | 0 | 110.8 | V608 E609 N610 Y614 I615 E616 | V608-N612 WeakPolarHBondContact O-CA 3.29Å; V608-N612 WeakPolarHBondContact O-CB 3.45Å; V608-N612 PolarHBondContact O-N 3.09Å; E609-N612 PolarHBondContact O-N 3.37Å; N610-N612 VanDerWaalsContact C-N 3.28Å; N610-N612 PolarHBondContact O-N 2.63Å; N612-Y614 VanDerWaalsContact C-N 3.33Å; N612-Y614 PolarHBondContact O-N 3.23Å; N612-I615 PolarHBondContact O-N 3.41Å; N612-E616 PolarHBondContact ND2-OE1 2.64Å; N612-E616 PolarHBondContact O-N 3.04Å |
| 613 | K | 85.7 | Confident | 81.7 | Confident | 114 Ų | 114 | 111.4 Ų | 111.4 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 170.8 | -72.3 | 172.9 | -176 | 176.3 | 0 | 111.5 | E609 N610 I615 E616 E617 | E609-K613 WeakPolarHBondContact O-CG 3.49Å; E609-K613 PolarHBondContact O-N 2.92Å; N610-K613 PolarHBondContact O-N 3.5Å; K613-I615 PolarHBondContact O-N 3.3Å; K613-E616 PolarHBondContact O-N 2.75Å; K613-E617 WeakPolarHBondContact O-CG 3.33Å; K613-E617 PolarHBondContact O-N 3.4Å |
| 614 | Y | 81.6 | Confident | 81.4 | Confident | 138 Ų | 138 | 110.2 Ų | 110.2 | 54% | 0.541 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 176.1 | -174.4 | -109 | 0 | 0 | 0 | 112.6 | N610 K611 N612 E617 L618 | N610-Y614 WeakPolarHBondContact O-CB 3.43Å; N610-Y614 PolarHBondContact O-N 2.84Å; K611-Y614 PolarHBondContact O-N 2.91Å; N612-Y614 VanDerWaalsContact C-N 3.33Å; N612-Y614 PolarHBondContact O-N 3.23Å; Y614-E617 PolarHBondContact O-N 2.78Å; Y614-L618 HydrophobicContact CD1-CD1 3.74Å; Y614-L618 HydrophobicContact CD1-CG 4.23Å; Y614-L618 HydrophobicContact CE1-CD1 3.33Å; Y614-L618 HydrophobicContact CE1-CD2 4.48Å; Y614-L618 HydrophobicContact CE1-CG 3.92Å; Y614-L618 HydrophobicContact CE2-CG 4.5Å; Y614-L618 WeakPolarHBondContact O-CB 3.39Å; Y614-L618 VanDerWaalsContact O-CG 3.31Å; Y614-L618 WeakPolarHBondContact O-CG 3.33Å; Y614-L618 PolarHBondContact O-N 3.32Å |
| 615 | I | 76.6 | Confident | 81 | Confident | 80 Ų | 80 | 109.6 Ų | 109.6 | 41% | 0.41 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 173.9 | -72.2 | 162.9 | 0 | 0 | 0 | 110.6 | K611 N612 K613 L618 Q619 | K611-I615 WeakPolarHBondContact O-CB 3.4Å; K611-I615 WeakPolarHBondContact O-CD1 3.5Å; K611-I615 WeakPolarHBondContact O-CG1 3.3Å; K611-I615 PolarHBondContact O-N 2.86Å; N612-I615 PolarHBondContact O-N 3.41Å; K613-I615 PolarHBondContact O-N 3.3Å; I615-L618 CarbonylContact O-C 3.59Å; I615-L618 PolarHBondContact O-N 2.81Å; I615-Q619 HydrophobicContact CG2-CG 4.28Å; I615-Q619 VanDerWaalsContact O-CB 3.31Å; I615-Q619 WeakPolarHBondContact O-CB 3.43Å; I615-Q619 VanDerWaalsContact O-CG 3.23Å; I615-Q619 WeakPolarHBondContact O-CG 3.3Å; I615-Q619 PolarHBondContact O-N 3.47Å |
| 616 | E | 78.2 | Confident | 80.7 | Confident | 110 Ų | 110 | 109.8 Ų | 109.8 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 174.8 | -77.7 | -176.3 | -165.2 | 0 | 0 | 111.7 | N612 K613 Q619 Q620 | N612-E616 PolarHBondContact ND2-OE1 2.64Å; N612-E616 PolarHBondContact O-N 3.04Å; K613-E616 PolarHBondContact O-N 2.75Å; E616-Q619 PolarHBondContact O-N 3.19Å; E616-Q620 VanDerWaalsContact O-CG 3.25Å; E616-Q620 WeakPolarHBondContact O-CG 3.38Å; E616-Q620 PolarHBondContact O-N 3.43Å |
| 617 | E | 79.5 | Confident | 80.5 | Confident | 128 Ų | 128 | 110.8 Ų | 110.8 | 60% | 0.598 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.7 | -48.7 | 171.8 | -74.4 | 174.3 | -172.9 | 0 | 0 | 111.2 | K613 Y614 Q619 Q620 E621 | K613-E617 WeakPolarHBondContact O-CG 3.33Å; K613-E617 PolarHBondContact O-N 3.4Å; Y614-E617 PolarHBondContact O-N 2.78Å; E617-Q619 VanDerWaalsContact C-N 3.27Å; E617-Q619 PolarHBondContact O-N 2.78Å; E617-Q620 WeakPolarHBondContact O-CB 3.48Å; E617-Q620 PolarHBondContact O-N 3.43Å; E617-E621 WeakPolarHBondContact O-CB 3.45Å; E617-E621 PolarHBondContact O-N 2.82Å |
| 618 | L | 74.1 | Confident | 80.3 | Confident | 59 Ų | 59 | 112 Ų | 112 | 31% | 0.309 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -30.9 | 175 | -75.7 | 179.8 | 0 | 0 | 0 | 112.8 | Y614 I615 N622 | Y614-L618 HydrophobicContact CD1-CD1 3.74Å; Y614-L618 HydrophobicContact CD1-CG 4.23Å; Y614-L618 HydrophobicContact CE1-CD1 3.33Å; Y614-L618 HydrophobicContact CE1-CD2 4.48Å; Y614-L618 HydrophobicContact CE1-CG 3.92Å; Y614-L618 HydrophobicContact CE2-CG 4.5Å; Y614-L618 WeakPolarHBondContact O-CB 3.39Å; Y614-L618 VanDerWaalsContact O-CG 3.31Å; Y614-L618 WeakPolarHBondContact O-CG 3.33Å; Y614-L618 PolarHBondContact O-N 3.32Å; I615-L618 CarbonylContact O-C 3.59Å; I615-L618 PolarHBondContact O-N 2.81Å; L618-N622 WeakPolarHBondContact O-CB 3.43Å; L618-N622 PolarHBondContact O-N 3.4Å; L618-N622 PolarHBondContact O-ND2 2.99Å |
| 619 | Q | 78.7 | Confident | 80.1 | Confident | 123 Ų | 123 | 109.1 Ų | 109.1 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.2 | -39.6 | 174.7 | -80.3 | -179.7 | -0.5 | 0 | 0 | 111.2 | I615 E616 E617 K623 | I615-Q619 HydrophobicContact CG2-CG 4.28Å; I615-Q619 VanDerWaalsContact O-CB 3.31Å; I615-Q619 WeakPolarHBondContact O-CB 3.43Å; I615-Q619 VanDerWaalsContact O-CG 3.23Å; I615-Q619 WeakPolarHBondContact O-CG 3.3Å; I615-Q619 PolarHBondContact O-N 3.47Å; E616-Q619 PolarHBondContact O-N 3.19Å; E617-Q619 VanDerWaalsContact C-N 3.27Å; E617-Q619 PolarHBondContact O-N 2.78Å; Q619-K623 WeakPolarHBondContact O-CB 3.43Å; Q619-K623 PolarHBondContact O-N 2.81Å |
| 620 | Q | 80.1 | Confident | 79.8 | Confident | 154 Ų | 154 | 107.7 Ų | 107.7 | 72% | 0.72 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 172.4 | -69.9 | -124 | 6.9 | 0 | 0 | 111 | E616 E617 K623 A624 | E616-Q620 VanDerWaalsContact O-CG 3.25Å; E616-Q620 WeakPolarHBondContact O-CG 3.38Å; E616-Q620 PolarHBondContact O-N 3.43Å; E617-Q620 WeakPolarHBondContact O-CB 3.48Å; E617-Q620 PolarHBondContact O-N 3.43Å; Q620-K623 WeakPolarHBondContact O-CB 3.44Å; Q620-K623 PolarHBondContact O-N 3.26Å; Q620-A624 PolarHBondContact O-N 2.84Å |
| 621 | E | 78.4 | Confident | 79.3 | Confident | 107 Ų | 107 | 105.2 Ų | 105.2 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.1 | -171.8 | 177.6 | -171.1 | 0 | 0 | 110.8 | E617 K623 A624 L625 | E617-E621 WeakPolarHBondContact O-CB 3.45Å; E617-E621 PolarHBondContact O-N 2.82Å; E621-K623 VanDerWaalsContact C-N 3.3Å; E621-K623 PolarHBondContact O-N 3.33Å; E621-A624 CarbonylContact O-C 3.55Å; E621-A624 WeakPolarHBondContact O-CA 3.41Å; E621-A624 WeakPolarHBondContact O-CB 3.46Å; E621-A624 PolarHBondContact O-N 3.35Å; E621-L625 HydrophobicContact CG-CD1 4.01Å; E621-L625 HydrophobicContact CG-CG 4.23Å; E621-L625 WeakPolarHBondContact O-CB 3.36Å; E621-L625 WeakPolarHBondContact O-CG 3.31Å; E621-L625 PolarHBondContact O-N 3.31Å |
| 622 | N | 78.1 | Confident | 78.7 | Confident | 102 Ų | 102 | 104 Ų | 104 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 173.1 | -91.2 | -62.4 | 0 | 0 | 0 | 112.2 | L618 A624 K626 | L618-N622 WeakPolarHBondContact O-CB 3.43Å; L618-N622 PolarHBondContact O-N 3.4Å; L618-N622 PolarHBondContact O-ND2 2.99Å; N622-A624 VanDerWaalsContact C-N 3.34Å; N622-K626 WeakPolarHBondContact O-CB 3.49Å; N622-K626 PolarHBondContact O-N 2.94Å |
| 623 | K | 81 | Confident | 78.2 | Confident | 159 Ų | 159 | 104 Ų | 104 | 69% | 0.691 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 172.8 | -109.9 | 178.5 | 178.6 | 172.8 | 0 | 111.4 | Q619 Q620 E621 K627 | Q619-K623 WeakPolarHBondContact O-CB 3.43Å; Q619-K623 PolarHBondContact O-N 2.81Å; Q620-K623 WeakPolarHBondContact O-CB 3.44Å; Q620-K623 PolarHBondContact O-N 3.26Å; E621-K623 VanDerWaalsContact C-N 3.3Å; E621-K623 PolarHBondContact O-N 3.33Å; K623-K627 WeakPolarHBondContact O-CG 3.48Å; K623-K627 PolarHBondContact O-N 3.45Å; K623-K627 VanDerWaalsContact O-N 3.12Å |
| 624 | A | 80.9 | Confident | 78 | Confident | 59 Ų | 59 | 106.1 Ų | 106.1 | 49% | 0.488 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q620 E621 N622 K626 K627 K628 | Q620-A624 PolarHBondContact O-N 2.84Å; E621-A624 CarbonylContact O-C 3.55Å; E621-A624 WeakPolarHBondContact O-CA 3.41Å; E621-A624 WeakPolarHBondContact O-CB 3.46Å; E621-A624 PolarHBondContact O-N 3.35Å; N622-A624 VanDerWaalsContact C-N 3.34Å; A624-K626 VanDerWaalsContact C-N 3.33Å; A624-K626 PolarHBondContact O-N 2.79Å; A624-K627 CarbonylContact O-C 3.59Å; A624-K627 WeakPolarHBondContact O-CB 3.21Å; A624-K627 PolarHBondContact O-N 2.94Å; A624-K628 WeakPolarHBondContact O-CB 3.48Å; A624-K628 PolarHBondContact O-N 3.44Å |
| 625 | L | 72.5 | Confident | 77.9 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 174.6 | -72.8 | 174.6 | 0 | 0 | 0 | 111.7 | E621 K628 G629 | E621-L625 HydrophobicContact CG-CD1 4.01Å; E621-L625 HydrophobicContact CG-CG 4.23Å; E621-L625 WeakPolarHBondContact O-CB 3.36Å; E621-L625 WeakPolarHBondContact O-CG 3.31Å; E621-L625 PolarHBondContact O-N 3.31Å; L625-K628 CarbonylContact O-C 3.6Å; L625-K628 PolarHBondContact O-N 2.84Å; L625-G629 PolarHBondContact O-N 3.14Å |
| 626 | K | 78.7 | Confident | 78 | Confident | 163 Ų | 163 | 106 Ų | 106 | 71% | 0.709 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.2 | -36.3 | 174.6 | -157.9 | 171.3 | -170.3 | 175.3 | 0 | 111.6 | N622 A624 T630 | N622-K626 WeakPolarHBondContact O-CB 3.49Å; N622-K626 PolarHBondContact O-N 2.94Å; A624-K626 VanDerWaalsContact C-N 3.33Å; A624-K626 PolarHBondContact O-N 2.79Å; K626-T630 WeakPolarHBondContact O-CB 3.49Å; K626-T630 WeakPolarHBondContact O-CG2 3.39Å; K626-T630 PolarHBondContact O-N 3.19Å; K626-T630 PolarHBondContact O-OG1 2.66Å |
| 627 | K | 79.7 | Confident | 78.1 | Confident | 158 Ų | 158 | 104.8 Ų | 104.8 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.9 | -39.8 | 169.5 | -73.3 | 179.7 | -179.8 | -179.2 | 0 | 111.9 | K623 A624 T630 A631 | K623-K627 WeakPolarHBondContact O-CG 3.48Å; K623-K627 PolarHBondContact O-N 3.45Å; K623-K627 VanDerWaalsContact O-N 3.12Å; A624-K627 CarbonylContact O-C 3.59Å; A624-K627 WeakPolarHBondContact O-CB 3.21Å; A624-K627 PolarHBondContact O-N 2.94Å; K627-T630 WeakPolarHBondContact CA-OG1 3.38Å; K627-T630 PolarHBondContact O-OG1 3.1Å; K627-A631 WeakPolarHBondContact O-CB 3.39Å; K627-A631 PolarHBondContact O-N 3.23Å |
| 628 | K | 80.2 | Confident | 78.2 | Confident | 118 Ų | 118 | 103 Ų | 103 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -46.6 | 176.1 | -163 | -176.2 | -174.4 | -111.1 | 0 | 111.2 | A624 L625 T630 A631 E632 | A624-K628 WeakPolarHBondContact O-CB 3.48Å; A624-K628 PolarHBondContact O-N 3.44Å; L625-K628 CarbonylContact O-C 3.6Å; L625-K628 PolarHBondContact O-N 2.84Å; K628-T630 PolarHBondContact O-N 2.78Å; K628-A631 CarbonylContact O-C 3.6Å; K628-A631 WeakPolarHBondContact O-CA 3.49Å; K628-A631 WeakPolarHBondContact O-CB 3.48Å; K628-A631 PolarHBondContact O-N 2.84Å; K628-A631 VanDerWaalsContact O-N 3.08Å; K628-E632 WeakPolarHBondContact CE-OE1 3.43Å; K628-E632 HydrophobicContact CG-CG 4.38Å; K628-E632 IonicContact NZ-OE1 3.93Å; K628-E632 PolarHBondContact NZ-OE1 2.81Å; K628-E632 WeakPolarHBondContact O-CB 3.47Å; K628-E632 WeakPolarHBondContact O-CG 3.19Å; K628-E632 PolarHBondContact O-N 3.44Å |
| 629 | G | 75.6 | Confident | 78.3 | Confident | 31 Ų | 31 | 106.3 Ų | 106.3 | 32% | 0.32 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.9 | -34.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L625 S633 | L625-G629 PolarHBondContact O-N 3.14Å; G629-S633 WeakPolarHBondContact O-CA 3.47Å; G629-S633 WeakPolarHBondContact O-CB 3.32Å; G629-S633 PolarHBondContact O-N 3.31Å |
| 630 | T | 76.4 | Confident | 78.4 | Confident | 77 Ų | 77 | 105.2 Ų | 105.2 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.9 | -31.6 | 170.6 | 46.6 | 0 | 0 | 0 | 0 | 112.7 | K626 K627 K628 K634 | K626-T630 WeakPolarHBondContact O-CB 3.49Å; K626-T630 WeakPolarHBondContact O-CG2 3.39Å; K626-T630 PolarHBondContact O-N 3.19Å; K626-T630 PolarHBondContact O-OG1 2.66Å; K627-T630 WeakPolarHBondContact CA-OG1 3.38Å; K627-T630 PolarHBondContact O-OG1 3.1Å; K628-T630 PolarHBondContact O-N 2.78Å; T630-K634 VanDerWaalsContact O-CG 3.27Å; T630-K634 WeakPolarHBondContact O-CG 3.46Å; T630-K634 PolarHBondContact O-N 3.32Å |
| 631 | A | 75.6 | Confident | 78.5 | Confident | 54 Ų | 54 | 103 Ų | 103 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73.2 | -45.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K627 K628 K634 Q635 | K627-A631 WeakPolarHBondContact O-CB 3.39Å; K627-A631 PolarHBondContact O-N 3.23Å; K628-A631 CarbonylContact O-C 3.6Å; K628-A631 WeakPolarHBondContact O-CA 3.49Å; K628-A631 WeakPolarHBondContact O-CB 3.48Å; K628-A631 PolarHBondContact O-N 2.84Å; K628-A631 VanDerWaalsContact O-N 3.08Å; A631-K634 WeakPolarHBondContact O-CB 3.46Å; A631-K634 PolarHBondContact O-N 3.43Å; A631-Q635 WeakPolarHBondContact O-CB 3.37Å; A631-Q635 PolarHBondContact O-N 3.17Å |
| 632 | E | 74.3 | Confident | 79 | Confident | 87 Ų | 87 | 103.3 Ų | 103.3 | 41% | 0.407 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.2 | -75.4 | 173 | 175.8 | 0 | 0 | 111.1 | K628 K634 Q635 L636 | K628-E632 WeakPolarHBondContact CE-OE1 3.43Å; K628-E632 HydrophobicContact CG-CG 4.38Å; K628-E632 IonicContact NZ-OE1 3.93Å; K628-E632 PolarHBondContact NZ-OE1 2.81Å; K628-E632 WeakPolarHBondContact O-CB 3.47Å; K628-E632 WeakPolarHBondContact O-CG 3.19Å; K628-E632 PolarHBondContact O-N 3.44Å; E632-K634 PolarHBondContact O-N 2.87Å; E632-Q635 CarbonylContact O-C 3.59Å; E632-Q635 WeakPolarHBondContact O-CA 3.21Å; E632-Q635 WeakPolarHBondContact O-CB 3.35Å; E632-Q635 PolarHBondContact O-N 2.82Å; E632-L636 WeakPolarHBondContact O-CB 3.27Å; E632-L636 PolarHBondContact O-N 3.42Å |
| 633 | S | 75.5 | Confident | 79.2 | Confident | 77 Ų | 77 | 102.1 Ų | 102.1 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 174.2 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | G629 Q635 L636 N637 | G629-S633 WeakPolarHBondContact O-CA 3.47Å; G629-S633 WeakPolarHBondContact O-CB 3.32Å; G629-S633 PolarHBondContact O-N 3.31Å; S633-Q635 VanDerWaalsContact C-N 3.29Å; S633-Q635 PolarHBondContact O-N 3.45Å; S633-L636 PolarHBondContact O-N 3.21Å; S633-N637 WeakPolarHBondContact O-CB 3.35Å; S633-N637 PolarHBondContact O-N 3.06Å |
| 634 | K | 82.2 | Confident | 79.3 | Confident | 157 Ų | 157 | 98.3 Ų | 98.3 | 68% | 0.683 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -38.4 | 170.9 | -73.4 | 172.7 | -177.2 | -178.5 | 0 | 111.5 | T630 A631 E632 V638 | T630-K634 VanDerWaalsContact O-CG 3.27Å; T630-K634 WeakPolarHBondContact O-CG 3.46Å; T630-K634 PolarHBondContact O-N 3.32Å; A631-K634 WeakPolarHBondContact O-CB 3.46Å; A631-K634 PolarHBondContact O-N 3.43Å; E632-K634 PolarHBondContact O-N 2.87Å; K634-V638 WeakPolarHBondContact O-CG2 3.33Å; K634-V638 PolarHBondContact O-N 3.33Å |
| 635 | Q | 79.9 | Confident | 79.6 | Confident | 104 Ų | 104 | 101.9 Ų | 101.9 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.9 | -35 | 178.7 | -149.2 | 169.5 | 7.3 | 0 | 0 | 112.3 | A631 E632 S633 V638 Y639 | A631-Q635 WeakPolarHBondContact O-CB 3.37Å; A631-Q635 PolarHBondContact O-N 3.17Å; E632-Q635 CarbonylContact O-C 3.59Å; E632-Q635 WeakPolarHBondContact O-CA 3.21Å; E632-Q635 WeakPolarHBondContact O-CB 3.35Å; E632-Q635 PolarHBondContact O-N 2.82Å; S633-Q635 VanDerWaalsContact C-N 3.29Å; S633-Q635 PolarHBondContact O-N 3.45Å; Q635-V638 CarbonylContact O-C 3.59Å; Q635-V638 WeakPolarHBondContact O-CB 3.41Å; Q635-V638 PolarHBondContact O-N 2.94Å; Q635-Y639 HydrophobicContact CB-CE2 4.48Å; Q635-Y639 HydrophobicContact CG-CD2 4.28Å; Q635-Y639 HydrophobicContact CG-CE2 3.72Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.5Å; Q635-Y639 PolarHBondContact O-N 2.89Å |
| 636 | L | 77.5 | Confident | 80.1 | Confident | 111 Ų | 111 | 102.2 Ų | 102.2 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.1 | -40.8 | 177 | -162.1 | 146.4 | 0 | 0 | 0 | 109.8 | E632 S633 V638 Y639 E640 | E632-L636 WeakPolarHBondContact O-CB 3.27Å; E632-L636 PolarHBondContact O-N 3.42Å; S633-L636 PolarHBondContact O-N 3.21Å; L636-V638 VanDerWaalsContact C-N 3.29Å; L636-V638 PolarHBondContact O-N 3.42Å; L636-Y639 CarbonylContact O-C 3.52Å; L636-Y639 PolarHBondContact O-N 3.47Å; L636-Y639 VanDerWaalsContact O-N 3.1Å; L636-E640 WeakPolarHBondContact O-CB 3.47Å; L636-E640 PolarHBondContact O-N 2.76Å |
| 637 | N | 80.9 | Confident | 80.4 | Confident | 85 Ų | 85 | 99.9 Ų | 99.9 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 169.8 | -174.1 | 33.1 | 0 | 0 | 0 | 111.8 | S633 E640 I641 | S633-N637 WeakPolarHBondContact O-CB 3.35Å; S633-N637 PolarHBondContact O-N 3.06Å; N637-E640 PolarHBondContact O-N 3.31Å; N637-I641 VanDerWaalsContact O-CG1 3.26Å; N637-I641 WeakPolarHBondContact O-CG1 3.28Å; N637-I641 PolarHBondContact O-N 2.84Å |
| 638 | V | 81.3 | Confident | 80.5 | Confident | 91 Ų | 91 | 98.8 Ų | 98.8 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 172.9 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | K634 Q635 L636 K642 | K634-V638 WeakPolarHBondContact O-CG2 3.33Å; K634-V638 PolarHBondContact O-N 3.33Å; Q635-V638 CarbonylContact O-C 3.59Å; Q635-V638 WeakPolarHBondContact O-CB 3.41Å; Q635-V638 PolarHBondContact O-N 2.94Å; L636-V638 VanDerWaalsContact C-N 3.29Å; L636-V638 PolarHBondContact O-N 3.42Å; V638-K642 WeakPolarHBondContact O-CB 3.21Å; V638-K642 PolarHBondContact O-N 3.39Å |
| 639 | Y | 75.8 | Confident | 80.7 | Confident | 129 Ų | 129 | 98.2 Ų | 98.2 | 51% | 0.506 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.5 | -36 | 175.4 | -71.2 | -53 | 0 | 0 | 0 | 112.2 | Q635 L636 K642 V643 | Q635-Y639 HydrophobicContact CB-CE2 4.48Å; Q635-Y639 HydrophobicContact CG-CD2 4.28Å; Q635-Y639 HydrophobicContact CG-CE2 3.72Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.5Å; Q635-Y639 PolarHBondContact O-N 2.89Å; L636-Y639 CarbonylContact O-C 3.52Å; L636-Y639 PolarHBondContact O-N 3.47Å; L636-Y639 VanDerWaalsContact O-N 3.1Å; Y639-K642 CarbonylContact O-C 3.58Å; Y639-K642 WeakPolarHBondContact O-CA 3.28Å; Y639-K642 WeakPolarHBondContact O-CB 3.42Å; Y639-K642 PolarHBondContact O-N 3.31Å; Y639-K642 VanDerWaalsContact O-N 3.12Å; Y639-V643 WeakPolarHBondContact O-CB 3.45Å; Y639-V643 VanDerWaalsContact O-CG2 3.25Å; Y639-V643 WeakPolarHBondContact O-CG2 3.48Å; Y639-V643 PolarHBondContact O-N 2.99Å |
| 640 | E | 82.1 | Confident | 81.1 | Confident | 100 Ų | 100 | 101.2 Ų | 101.2 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -47 | 178.5 | -177.8 | 174.5 | -170.8 | 0 | 0 | 110.5 | L636 N637 K642 V643 N644 | L636-E640 WeakPolarHBondContact O-CB 3.47Å; L636-E640 PolarHBondContact O-N 2.76Å; N637-E640 PolarHBondContact O-N 3.31Å; E640-K642 PolarHBondContact O-N 2.86Å; E640-V643 PolarHBondContact O-N 3.49Å; E640-N644 WeakPolarHBondContact O-CB 3.32Å; E640-N644 PolarHBondContact O-N 3.35Å; E640-N644 PolarHBondContact O-ND2 2.83Å; E640-N644 PolarHBondContact O-OD1 3.25Å |
| 641 | I | 81.9 | Confident | 81.5 | Confident | 107 Ų | 107 | 102.4 Ų | 102.4 | 55% | 0.549 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.8 | -37.3 | 171.1 | -67 | 166.4 | 0 | 0 | 0 | 110.8 | N637 K645 | N637-I641 VanDerWaalsContact O-CG1 3.26Å; N637-I641 WeakPolarHBondContact O-CG1 3.28Å; N637-I641 PolarHBondContact O-N 2.84Å; I641-K645 WeakPolarHBondContact O-CB 3.36Å; I641-K645 PolarHBondContact O-N 3.42Å; I641-K645 VanDerWaalsContact O-N 3.11Å |
| 642 | K | 89 | Confident | 81.7 | Confident | 114 Ų | 114 | 102.9 Ų | 102.9 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.6 | -36.3 | -180 | -159.4 | 178.7 | -173.7 | -170.4 | 0 | 112.8 | V638 Y639 E640 K645 L646 | V638-K642 WeakPolarHBondContact O-CB 3.21Å; V638-K642 PolarHBondContact O-N 3.39Å; Y639-K642 CarbonylContact O-C 3.58Å; Y639-K642 WeakPolarHBondContact O-CA 3.28Å; Y639-K642 WeakPolarHBondContact O-CB 3.42Å; Y639-K642 PolarHBondContact O-N 3.31Å; Y639-K642 VanDerWaalsContact O-N 3.12Å; E640-K642 PolarHBondContact O-N 2.86Å; K642-K645 PolarHBondContact O-N 3.44Å; K642-L646 WeakPolarHBondContact O-CB 3.43Å; K642-L646 VanDerWaalsContact O-CG 3.31Å; K642-L646 WeakPolarHBondContact O-CG 3.47Å; K642-L646 PolarHBondContact O-N 3.44Å |
| 643 | V | 82.3 | Confident | 82.1 | Confident | 76 Ų | 76 | 100.7 Ų | 100.7 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -50.6 | 174.1 | 167.6 | 0 | 0 | 0 | 0 | 108.4 | Y639 E640 K645 L646 E647 | Y639-V643 WeakPolarHBondContact O-CB 3.45Å; Y639-V643 VanDerWaalsContact O-CG2 3.25Å; Y639-V643 WeakPolarHBondContact O-CG2 3.48Å; Y639-V643 PolarHBondContact O-N 2.99Å; E640-V643 PolarHBondContact O-N 3.49Å; V643-K645 PolarHBondContact O-N 2.81Å; V643-K645 VanDerWaalsContact O-N 3.17Å; V643-L646 CarbonylContact O-C 3.59Å; V643-L646 WeakPolarHBondContact O-CA 3.13Å; V643-L646 PolarHBondContact O-N 3.27Å; V643-E647 VanDerWaalsContact O-CB 3.23Å; V643-E647 WeakPolarHBondContact O-CB 3.47Å; V643-E647 PolarHBondContact O-N 2.92Å |
| 644 | N | 82.4 | Confident | 82.5 | Confident | 80 Ų | 80 | 102.2 Ų | 102.2 | 43% | 0.428 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -55.5 | -38.7 | 176.2 | -66.9 | -14.1 | 0 | 0 | 0 | 111.9 | E640 L648 | E640-N644 WeakPolarHBondContact O-CB 3.32Å; E640-N644 PolarHBondContact O-N 3.35Å; E640-N644 PolarHBondContact O-ND2 2.83Å; E640-N644 PolarHBondContact O-OD1 3.25Å; N644-L648 WeakPolarHBondContact O-CB 3.48Å; N644-L648 PolarHBondContact O-N 3.4Å |
| 645 | K | 86.8 | Confident | 82.7 | Confident | 134 Ų | 134 | 100.8 Ų | 100.8 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -46.8 | 172.8 | -179.4 | 171 | 178.3 | 170.7 | 0 | 112.6 | I641 K642 V643 E647 L648 E649 | I641-K645 WeakPolarHBondContact O-CB 3.36Å; I641-K645 PolarHBondContact O-N 3.42Å; I641-K645 VanDerWaalsContact O-N 3.11Å; K642-K645 PolarHBondContact O-N 3.44Å; V643-K645 PolarHBondContact O-N 2.81Å; V643-K645 VanDerWaalsContact O-N 3.17Å; K645-E647 VanDerWaalsContact C-N 3.29Å; K645-E647 PolarHBondContact O-N 2.74Å; K645-L648 PolarHBondContact O-N 2.74Å; K645-E649 WeakPolarHBondContact CE-OE1 3.36Å; K645-E649 WeakPolarHBondContact O-CG 3.4Å; K645-E649 PolarHBondContact O-N 3.06Å |
| 646 | L | 83.4 | Confident | 83 | Confident | 94 Ų | 94 | 102.2 Ų | 102.2 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -31.2 | 177.5 | -75.5 | 171.6 | 0 | 0 | 0 | 112.3 | K642 V643 E649 L650 | K642-L646 WeakPolarHBondContact O-CB 3.43Å; K642-L646 VanDerWaalsContact O-CG 3.31Å; K642-L646 WeakPolarHBondContact O-CG 3.47Å; K642-L646 PolarHBondContact O-N 3.44Å; V643-L646 CarbonylContact O-C 3.59Å; V643-L646 WeakPolarHBondContact O-CA 3.13Å; V643-L646 PolarHBondContact O-N 3.27Å; L646-E649 CarbonylContact O-C 3.53Å; L646-E649 PolarHBondContact O-N 3.05Å; L646-L650 WeakPolarHBondContact O-CB 3.3Å; L646-L650 PolarHBondContact O-N 3.4Å |
| 647 | E | 84.9 | Confident | 83.2 | Confident | 114 Ų | 114 | 103.3 Ų | 103.3 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.4 | -40.4 | 179.8 | -157.8 | 160.6 | -143.4 | 0 | 0 | 109.8 | V643 K645 L650 E651 | V643-E647 VanDerWaalsContact O-CB 3.23Å; V643-E647 WeakPolarHBondContact O-CB 3.47Å; V643-E647 PolarHBondContact O-N 2.92Å; K645-E647 VanDerWaalsContact C-N 3.29Å; K645-E647 PolarHBondContact O-N 2.74Å; E647-L650 PolarHBondContact O-N 2.64Å; E647-E651 WeakPolarHBondContact O-CB 3.24Å; E647-E651 PolarHBondContact O-N 2.88Å |
| 648 | L | 81.5 | Confident | 83.4 | Confident | 135 Ų | 135 | 100.8 Ų | 100.8 | 71% | 0.707 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.5 | -44.1 | 166.3 | -98.3 | 156.6 | 0 | 0 | 0 | 112.5 | N644 K645 S652 | N644-L648 WeakPolarHBondContact O-CB 3.48Å; N644-L648 PolarHBondContact O-N 3.4Å; K645-L648 PolarHBondContact O-N 2.74Å; L648-S652 WeakPolarHBondContact O-CB 3.41Å; L648-S652 PolarHBondContact O-N 3.29Å |
| 649 | E | 85.1 | Confident | 83.5 | Confident | 106 Ų | 106 | 101.6 Ų | 101.6 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 175.9 | -74.4 | 172.8 | -167.4 | 0 | 0 | 111.8 | K645 L646 A653 | K645-E649 WeakPolarHBondContact CE-OE1 3.36Å; K645-E649 WeakPolarHBondContact O-CG 3.4Å; K645-E649 PolarHBondContact O-N 3.06Å; L646-E649 CarbonylContact O-C 3.53Å; L646-E649 PolarHBondContact O-N 3.05Å; E649-A653 VanDerWaalsContact O-CB 3.3Å; E649-A653 WeakPolarHBondContact O-CB 3.47Å; E649-A653 PolarHBondContact O-N 2.9Å |
| 650 | L | 83.7 | Confident | 84.1 | Confident | 94 Ų | 94 | 98.8 Ų | 98.8 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.4 | -35.8 | 179.9 | -164.8 | 149.5 | 0 | 0 | 0 | 111.6 | L646 E647 A653 K654 | L646-L650 WeakPolarHBondContact O-CB 3.3Å; L646-L650 PolarHBondContact O-N 3.4Å; E647-L650 PolarHBondContact O-N 2.64Å; L650-A653 CarbonylContact O-C 3.57Å; L650-A653 PolarHBondContact O-N 3.27Å; L650-K654 HydrophobicContact CD2-CD 3.77Å; L650-K654 HydrophobicContact CD2-CG 3.98Å; L650-K654 WeakPolarHBondContact O-CB 3.33Å; L650-K654 WeakPolarHBondContact O-CG 3.38Å; L650-K654 PolarHBondContact O-N 3.49Å |
| 651 | E | 84.8 | Confident | 84.2 | Confident | 102 Ų | 102 | 97.7 Ų | 97.7 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.4 | -39.9 | 174.9 | -148.1 | 58.2 | -143.5 | 0 | 0 | 111.1 | E647 A653 K654 Q655 | E647-E651 WeakPolarHBondContact O-CB 3.24Å; E647-E651 PolarHBondContact O-N 2.88Å; E651-A653 VanDerWaalsContact C-N 3.31Å; E651-A653 PolarHBondContact O-N 3.36Å; E651-K654 PolarHBondContact O-N 2.99Å; E651-K654 IonicContact OE1-NZ 2.71Å; E651-K654 WeakPolarHBondContact OE2-CD 3.47Å; E651-K654 IonicContact OE2-NZ 2.83Å; E651-K654 PolarHBondContact OE2-NZ 3.09Å; E651-Q655 WeakPolarHBondContact O-CB 3.35Å; E651-Q655 PolarHBondContact O-N 2.86Å |
| 652 | S | 81 | Confident | 84.3 | Confident | 64 Ų | 64 | 98.1 Ų | 98.1 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 168.9 | -176 | 0 | 0 | 0 | 0 | 111.8 | L648 K656 | L648-S652 WeakPolarHBondContact O-CB 3.41Å; L648-S652 PolarHBondContact O-N 3.29Å; S652-K656 WeakPolarHBondContact O-CG 3.39Å; S652-K656 PolarHBondContact O-N 2.8Å |
| 653 | A | 81.9 | Confident | 84.1 | Confident | 40 Ų | 40 | 96.9 Ų | 96.9 | 33% | 0.331 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | E649 L650 E651 Q655 K656 F657 | E649-A653 VanDerWaalsContact O-CB 3.3Å; E649-A653 WeakPolarHBondContact O-CB 3.47Å; E649-A653 PolarHBondContact O-N 2.9Å; L650-A653 CarbonylContact O-C 3.57Å; L650-A653 PolarHBondContact O-N 3.27Å; E651-A653 VanDerWaalsContact C-N 3.31Å; E651-A653 PolarHBondContact O-N 3.36Å; A653-Q655 VanDerWaalsContact C-N 3.33Å; A653-K656 PolarHBondContact O-N 2.86Å; A653-F657 WeakPolarHBondContact O-CB 3.21Å; A653-F657 VanDerWaalsContact O-CD2 3.31Å; A653-F657 WeakPolarHBondContact O-CD2 3.28Å; A653-F657 PolarHBondContact O-N 2.9Å |
| 654 | K | 85 | Confident | 84.2 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 48% | 0.478 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 174.4 | -83.7 | 172.9 | 177.9 | 165 | 0 | 111.5 | L650 E651 K656 F657 G658 | L650-K654 HydrophobicContact CD2-CD 3.77Å; L650-K654 HydrophobicContact CD2-CG 3.98Å; L650-K654 WeakPolarHBondContact O-CB 3.33Å; L650-K654 WeakPolarHBondContact O-CG 3.38Å; L650-K654 PolarHBondContact O-N 3.49Å; E651-K654 PolarHBondContact O-N 2.99Å; E651-K654 IonicContact OE1-NZ 2.71Å; E651-K654 WeakPolarHBondContact OE2-CD 3.47Å; E651-K654 IonicContact OE2-NZ 2.83Å; E651-K654 PolarHBondContact OE2-NZ 3.09Å; K654-K656 VanDerWaalsContact C-N 3.34Å; K654-F657 CarbonylContact O-C 3.58Å; K654-F657 PolarHBondContact O-N 3.23Å; K654-G658 PolarHBondContact O-N 2.85Å |
| 655 | Q | 85.5 | Confident | 84.5 | Confident | 127 Ų | 127 | 100.1 Ų | 100.1 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.2 | -47.6 | 175.2 | -176 | 174.5 | 7.2 | 0 | 0 | 110.5 | E651 A653 F657 G658 E659 | E651-Q655 WeakPolarHBondContact O-CB 3.35Å; E651-Q655 PolarHBondContact O-N 2.86Å; A653-Q655 VanDerWaalsContact C-N 3.33Å; Q655-F657 PolarHBondContact O-N 2.88Å; Q655-G658 PolarHBondContact O-N 2.79Å; Q655-E659 WeakPolarHBondContact O-CG 3.19Å; Q655-E659 PolarHBondContact O-N 3.41Å |
| 656 | K | 85.4 | Confident | 84.4 | Confident | 133 Ų | 133 | 101 Ų | 101 | 58% | 0.578 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -41 | 174.4 | -67.8 | -164.1 | 179 | -162.3 | 0 | 112.8 | S652 A653 K654 G658 E659 I660 | S652-K656 WeakPolarHBondContact O-CG 3.39Å; S652-K656 PolarHBondContact O-N 2.8Å; A653-K656 PolarHBondContact O-N 2.86Å; K654-K656 VanDerWaalsContact C-N 3.34Å; K656-G658 VanDerWaalsContact C-N 3.34Å; K656-E659 PolarHBondContact O-N 3.49Å; K656-I660 WeakPolarHBondContact O-CB 3.46Å; K656-I660 WeakPolarHBondContact O-CD1 3.4Å; K656-I660 WeakPolarHBondContact O-CG1 3.48Å; K656-I660 PolarHBondContact O-N 3.05Å |
| 657 | F | 83.4 | Confident | 84.6 | Confident | 135 Ų | 135 | 100.5 Ų | 100.5 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67 | -34.8 | 175.7 | -92.2 | -68.5 | 0 | 0 | 0 | 112.6 | A653 K654 Q655 I660 T661 | A653-F657 WeakPolarHBondContact O-CB 3.21Å; A653-F657 VanDerWaalsContact O-CD2 3.31Å; A653-F657 WeakPolarHBondContact O-CD2 3.28Å; A653-F657 PolarHBondContact O-N 2.9Å; K654-F657 CarbonylContact O-C 3.58Å; K654-F657 PolarHBondContact O-N 3.23Å; Q655-F657 PolarHBondContact O-N 2.88Å; F657-I660 PolarHBondContact O-N 3.25Å; F657-T661 VanDerWaalsContact O-CB 3.24Å; F657-T661 WeakPolarHBondContact O-CB 3.3Å; F657-T661 PolarHBondContact O-N 3.38Å; F657-T661 PolarHBondContact O-OG1 2.98Å |
| 658 | G | 84.6 | Confident | 84.6 | Confident | 32 Ų | 32 | 99.8 Ų | 99.8 | 33% | 0.33 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K654 Q655 K656 I660 T661 D662 | K654-G658 PolarHBondContact O-N 2.85Å; Q655-G658 PolarHBondContact O-N 2.79Å; K656-G658 VanDerWaalsContact C-N 3.34Å; G658-I660 VanDerWaalsContact C-N 3.34Å; G658-I660 PolarHBondContact O-N 3.41Å; G658-T661 PolarHBondContact O-N 3.3Å; G658-T661 VanDerWaalsContact O-N 3.15Å; G658-D662 PolarHBondContact O-N 2.86Å |
| 659 | E | 82.6 | Confident | 84.8 | Confident | 108 Ų | 108 | 97.7 Ų | 97.7 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 174.8 | -69.2 | 167.9 | -166.9 | 0 | 0 | 111.9 | Q655 K656 D662 T663 | Q655-E659 WeakPolarHBondContact O-CG 3.19Å; Q655-E659 PolarHBondContact O-N 3.41Å; K656-E659 PolarHBondContact O-N 3.49Å; E659-D662 PolarHBondContact O-N 3.15Å; E659-T663 WeakPolarHBondContact O-CG2 3.36Å; E659-T663 PolarHBondContact O-N 3.05Å; E659-T663 PolarHBondContact O-OG1 3.48Å |
| 660 | I | 88.4 | Confident | 84.8 | Confident | 70 Ų | 70 | 97.6 Ų | 97.6 | 36% | 0.359 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 176.2 | -69.4 | 164.4 | 0 | 0 | 0 | 111.3 | K656 F657 G658 T663 Y664 | K656-I660 WeakPolarHBondContact O-CB 3.46Å; K656-I660 WeakPolarHBondContact O-CD1 3.4Å; K656-I660 WeakPolarHBondContact O-CG1 3.48Å; K656-I660 PolarHBondContact O-N 3.05Å; F657-I660 PolarHBondContact O-N 3.25Å; G658-I660 VanDerWaalsContact C-N 3.34Å; G658-I660 PolarHBondContact O-N 3.41Å; I660-T663 VanDerWaalsContact C-OG1 3.31Å; I660-T663 WeakPolarHBondContact CA-OG1 3.41Å; I660-T663 PolarHBondContact O-N 3.31Å; I660-T663 PolarHBondContact O-OG1 3.15Å; I660-Y664 HydrophobicContact CG2-CD2 3.52Å; I660-Y664 HydrophobicContact CG2-CE2 3.17Å; I660-Y664 VanDerWaalsContact O-CD2 3.26Å; I660-Y664 WeakPolarHBondContact O-CD2 3.27Å; I660-Y664 PolarHBondContact O-N 3.5Å |
| 661 | T | 83.9 | Confident | 85 | Confident | 77 Ų | 77 | 98.7 Ų | 98.7 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 178.4 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | F657 G658 T663 Y664 Q665 | F657-T661 VanDerWaalsContact O-CB 3.24Å; F657-T661 WeakPolarHBondContact O-CB 3.3Å; F657-T661 PolarHBondContact O-N 3.38Å; F657-T661 PolarHBondContact O-OG1 2.98Å; G658-T661 PolarHBondContact O-N 3.3Å; G658-T661 VanDerWaalsContact O-N 3.15Å; T661-T663 VanDerWaalsContact C-N 3.3Å; T661-T663 PolarHBondContact O-N 2.83Å; T661-Y664 PolarHBondContact O-N 3.21Å; T661-Q665 VanDerWaalsContact O-CB 3.23Å; T661-Q665 WeakPolarHBondContact O-CB 3.32Å; T661-Q665 PolarHBondContact O-N 2.94Å |
| 662 | D | 84.8 | Confident | 85.3 | Confident | 116 Ų | 116 | 99.8 Ų | 99.8 | 62% | 0.62 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -39.4 | 175.3 | -74.1 | -15.7 | 0 | 0 | 0 | 111 | G658 E659 K666 | G658-D662 PolarHBondContact O-N 2.86Å; E659-D662 PolarHBondContact O-N 3.15Å; D662-K666 WeakPolarHBondContact O-CB 3.41Å; D662-K666 PolarHBondContact O-N 3.48Å |
| 663 | T | 85.3 | Confident | 85.6 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 173.5 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | E659 I660 T661 K666 E667 | E659-T663 WeakPolarHBondContact O-CG2 3.36Å; E659-T663 PolarHBondContact O-N 3.05Å; E659-T663 PolarHBondContact O-OG1 3.48Å; I660-T663 VanDerWaalsContact C-OG1 3.31Å; I660-T663 WeakPolarHBondContact CA-OG1 3.41Å; I660-T663 PolarHBondContact O-N 3.31Å; I660-T663 PolarHBondContact O-OG1 3.15Å; T661-T663 VanDerWaalsContact C-N 3.3Å; T661-T663 PolarHBondContact O-N 2.83Å; T663-K666 PolarHBondContact O-N 3.3Å; T663-E667 PolarHBondContact O-N 3.44Å |
| 664 | Y | 83.6 | Confident | 85.6 | Confident | 135 Ų | 135 | 102 Ų | 102 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 177.2 | -73.4 | -46.9 | 0 | 0 | 0 | 112.9 | I660 T661 K666 E667 I668 | I660-Y664 HydrophobicContact CG2-CD2 3.52Å; I660-Y664 HydrophobicContact CG2-CE2 3.17Å; I660-Y664 VanDerWaalsContact O-CD2 3.26Å; I660-Y664 WeakPolarHBondContact O-CD2 3.27Å; I660-Y664 PolarHBondContact O-N 3.5Å; T661-Y664 PolarHBondContact O-N 3.21Å; Y664-K666 VanDerWaalsContact C-N 3.3Å; Y664-K666 PolarHBondContact O-N 2.74Å; Y664-E667 CarbonylContact O-C 3.6Å; Y664-E667 PolarHBondContact O-N 2.99Å; Y664-I668 WeakPolarHBondContact O-CB 3.25Å; Y664-I668 VanDerWaalsContact O-CG1 3.24Å; Y664-I668 WeakPolarHBondContact O-CG1 3.46Å; Y664-I668 PolarHBondContact O-N 3.49Å |
| 665 | Q | 88.2 | Confident | 85.5 | Confident | 90 Ų | 90 | 103.2 Ų | 103.2 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 175.9 | -177.2 | 61.6 | 44.9 | 0 | 0 | 109.7 | T661 E667 I668 E669 | T661-Q665 VanDerWaalsContact O-CB 3.23Å; T661-Q665 WeakPolarHBondContact O-CB 3.32Å; T661-Q665 PolarHBondContact O-N 2.94Å; Q665-E667 PolarHBondContact O-N 3.43Å; Q665-I668 PolarHBondContact O-N 3.32Å; Q665-E669 PolarHBondContact NE2-OE2 2.87Å; Q665-E669 PolarHBondContact O-N 3.09Å |
| 666 | K | 85.2 | Confident | 85.3 | Confident | 151 Ų | 151 | 103.5 Ų | 103.5 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -42.9 | 174.2 | -150.4 | 175.5 | -169 | -178.3 | 0 | 111.9 | D662 T663 Y664 I668 E669 D670 | D662-K666 WeakPolarHBondContact O-CB 3.41Å; D662-K666 PolarHBondContact O-N 3.48Å; T663-K666 PolarHBondContact O-N 3.3Å; Y664-K666 VanDerWaalsContact C-N 3.3Å; Y664-K666 PolarHBondContact O-N 2.74Å; K666-I668 PolarHBondContact O-N 3.05Å; K666-E669 PolarHBondContact O-N 3.44Å; K666-D670 VanDerWaalsContact O-CG 3.31Å; K666-D670 PolarHBondContact O-N 3.35Å |
| 667 | E | 88.1 | Confident | 85.2 | Confident | 85 Ų | 85 | 101.6 Ų | 101.6 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 175.6 | -161.9 | -169.4 | 161.8 | 0 | 0 | 112.9 | T663 Y664 Q665 K671 | T663-E667 PolarHBondContact O-N 3.44Å; Y664-E667 CarbonylContact O-C 3.6Å; Y664-E667 PolarHBondContact O-N 2.99Å; Q665-E667 PolarHBondContact O-N 3.43Å; E667-K671 WeakPolarHBondContact O-CB 3.47Å; E667-K671 WeakPolarHBondContact O-CG 3.37Å; E667-K671 PolarHBondContact O-N 3.2Å; E667-K671 WeakPolarHBondContact OE1-CE 3.38Å; E667-K671 IonicContact OE1-NZ 2.69Å; E667-K671 PolarHBondContact OE1-NZ 2.91Å |
| 668 | I | 84.1 | Confident | 85.2 | Confident | 99 Ų | 99 | 100.1 Ų | 100.1 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 174.1 | -71.1 | 164.8 | 0 | 0 | 0 | 110.3 | Y664 Q665 K666 K671 K672 | Y664-I668 WeakPolarHBondContact O-CB 3.25Å; Y664-I668 VanDerWaalsContact O-CG1 3.24Å; Y664-I668 WeakPolarHBondContact O-CG1 3.46Å; Y664-I668 PolarHBondContact O-N 3.49Å; Q665-I668 PolarHBondContact O-N 3.32Å; K666-I668 PolarHBondContact O-N 3.05Å; I668-K671 PolarHBondContact O-N 3.45Å; I668-K672 WeakPolarHBondContact O-CB 3.37Å; I668-K672 PolarHBondContact O-N 3.41Å |
| 669 | E | 86.4 | Confident | 85.2 | Confident | 91 Ų | 91 | 103.7 Ų | 103.7 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 175.2 | -130 | 93.4 | -144.1 | 0 | 0 | 110.4 | Q665 K666 K672 I673 | Q665-E669 PolarHBondContact NE2-OE2 2.87Å; Q665-E669 PolarHBondContact O-N 3.09Å; K666-E669 PolarHBondContact O-N 3.44Å; E669-K672 PolarHBondContact O-N 2.75Å; E669-I673 WeakPolarHBondContact O-CG1 3.36Å; E669-I673 PolarHBondContact O-N 3.07Å |
| 670 | D | 85.8 | Confident | 85.1 | Confident | 103 Ų | 103 | 103.8 Ų | 103.8 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 177.4 | -70.4 | -21.6 | 0 | 0 | 0 | 111.7 | K666 I673 S674 | K666-D670 VanDerWaalsContact O-CG 3.31Å; K666-D670 PolarHBondContact O-N 3.35Å; D670-I673 PolarHBondContact O-N 2.97Å; D670-S674 PolarHBondContact O-N 3.41Å; D670-S674 VanDerWaalsContact O-N 3.09Å |
| 671 | K | 88 | Confident | 84.9 | Confident | 117 Ų | 117 | 106.5 Ų | 106.5 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 175.6 | -80.2 | -176 | -174.3 | 159.6 | 0 | 112.5 | E667 I668 I673 S674 E675 | E667-K671 WeakPolarHBondContact O-CB 3.47Å; E667-K671 WeakPolarHBondContact O-CG 3.37Å; E667-K671 PolarHBondContact O-N 3.2Å; E667-K671 WeakPolarHBondContact OE1-CE 3.38Å; E667-K671 IonicContact OE1-NZ 2.69Å; E667-K671 PolarHBondContact OE1-NZ 2.91Å; I668-K671 PolarHBondContact O-N 3.45Å; K671-I673 VanDerWaalsContact C-N 3.34Å; K671-I673 PolarHBondContact O-N 3.15Å; K671-S674 WeakPolarHBondContact CA-OG 3.5Å; K671-S674 CarbonylContact O-C 3.52Å; K671-S674 PolarHBondContact O-N 2.82Å; K671-S674 VanDerWaalsContact O-N 3.15Å; K671-S674 PolarHBondContact O-OG 3.4Å; K671-E675 WeakPolarHBondContact O-CB 3.45Å; K671-E675 PolarHBondContact O-N 2.98Å |
| 672 | K | 89.5 | Confident | 84.8 | Confident | 125 Ų | 125 | 107 Ų | 107 | 54% | 0.543 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 177.1 | -176.8 | -178.3 | 177.6 | -171.8 | 0 | 111.2 | I668 E669 S674 E675 E676 | I668-K672 WeakPolarHBondContact O-CB 3.37Å; I668-K672 PolarHBondContact O-N 3.41Å; E669-K672 PolarHBondContact O-N 2.75Å; K672-S674 VanDerWaalsContact C-N 3.33Å; K672-E675 PolarHBondContact O-N 3.32Å; K672-E676 WeakPolarHBondContact O-CB 3.25Å; K672-E676 PolarHBondContact O-N 3.4Å |
| 673 | I | 87.6 | Confident | 84.7 | Confident | 96 Ų | 96 | 106.1 Ų | 106.1 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 173.7 | -65.7 | 161.6 | 0 | 0 | 0 | 110.5 | E669 D670 K671 N677 | E669-I673 WeakPolarHBondContact O-CG1 3.36Å; E669-I673 PolarHBondContact O-N 3.07Å; D670-I673 PolarHBondContact O-N 2.97Å; K671-I673 VanDerWaalsContact C-N 3.34Å; K671-I673 PolarHBondContact O-N 3.15Å; I673-N677 PolarHBondContact O-N 3.4Å; I673-N677 PolarHBondContact O-ND2 3.06Å |
| 674 | S | 82.2 | Confident | 84.8 | Confident | 56 Ų | 56 | 107.4 Ų | 107.4 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.5 | -34.7 | 175.9 | 75.5 | 0 | 0 | 0 | 0 | 113.7 | D670 K671 K672 L678 | D670-S674 PolarHBondContact O-N 3.41Å; D670-S674 VanDerWaalsContact O-N 3.09Å; K671-S674 WeakPolarHBondContact CA-OG 3.5Å; K671-S674 CarbonylContact O-C 3.52Å; K671-S674 PolarHBondContact O-N 2.82Å; K671-S674 VanDerWaalsContact O-N 3.15Å; K671-S674 PolarHBondContact O-OG 3.4Å; K672-S674 VanDerWaalsContact C-N 3.33Å; S674-L678 WeakPolarHBondContact O-CG 3.43Å; S674-L678 PolarHBondContact O-N 3.15Å |
| 675 | E | 83 | Confident | 84.7 | Confident | 134 Ų | 134 | 103.6 Ų | 103.6 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.9 | -39.7 | 177 | -174.2 | 180 | -174 | 0 | 0 | 111.2 | K671 K672 N677 L678 L679 | K671-E675 WeakPolarHBondContact O-CB 3.45Å; K671-E675 PolarHBondContact O-N 2.98Å; K672-E675 PolarHBondContact O-N 3.32Å; E675-N677 VanDerWaalsContact C-N 3.32Å; E675-N677 PolarHBondContact O-N 3.19Å; E675-L678 CarbonylContact O-C 3.57Å; E675-L678 PolarHBondContact O-N 2.72Å; E675-L679 VanDerWaalsContact O-CB 3.27Å; E675-L679 WeakPolarHBondContact O-CB 3.29Å; E675-L679 PolarHBondContact O-N 3.47Å |
| 676 | E | 81.8 | Confident | 84.7 | Confident | 133 Ų | 133 | 104.5 Ų | 104.5 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.4 | -41.5 | 174.8 | -171.9 | 167.5 | -164 | 0 | 0 | 111.4 | K672 L679 E680 | K672-E676 WeakPolarHBondContact O-CB 3.25Å; K672-E676 PolarHBondContact O-N 3.4Å; E676-L679 PolarHBondContact O-N 3.49Å; E676-E680 PolarHBondContact O-N 3.01Å |
| 677 | N | 83.8 | Confident | 84.7 | Confident | 94 Ų | 94 | 101.6 Ų | 101.6 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 173 | -71.3 | -26.7 | 0 | 0 | 0 | 112.5 | I673 E675 E680 E681 | I673-N677 PolarHBondContact O-N 3.4Å; I673-N677 PolarHBondContact O-ND2 3.06Å; E675-N677 VanDerWaalsContact C-N 3.32Å; E675-N677 PolarHBondContact O-N 3.19Å; N677-E680 PolarHBondContact O-N 3.19Å; N677-E681 PolarHBondContact O-N 3.07Å |
| 678 | L | 82.9 | Confident | 84.6 | Confident | 104 Ų | 104 | 103 Ų | 103 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.1 | -35.6 | 176.1 | -73.9 | 171.2 | 0 | 0 | 0 | 112.3 | S674 E675 E680 E681 V682 | S674-L678 WeakPolarHBondContact O-CG 3.43Å; S674-L678 PolarHBondContact O-N 3.15Å; E675-L678 CarbonylContact O-C 3.57Å; E675-L678 PolarHBondContact O-N 2.72Å; L678-E680 VanDerWaalsContact C-N 3.32Å; L678-E681 CarbonylContact O-C 3.54Å; L678-E681 WeakPolarHBondContact O-CB 3.28Å; L678-E681 PolarHBondContact O-N 3.4Å; L678-V682 WeakPolarHBondContact O-CG2 3.48Å; L678-V682 PolarHBondContact O-N 3.04Å |
| 679 | L | 83.4 | Confident | 84.6 | Confident | 106 Ų | 106 | 100.7 Ų | 100.7 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | 176.6 | -172.1 | 69.1 | 0 | 0 | 0 | 110.4 | E675 E676 E681 V682 E683 | E675-L679 VanDerWaalsContact O-CB 3.27Å; E675-L679 WeakPolarHBondContact O-CB 3.29Å; E675-L679 PolarHBondContact O-N 3.47Å; E676-L679 PolarHBondContact O-N 3.49Å; L679-E681 VanDerWaalsContact C-N 3.31Å; L679-E681 PolarHBondContact O-N 3.14Å; L679-V682 PolarHBondContact O-N 3.5Å; L679-E683 PolarHBondContact O-N 3.23Å |
| 680 | E | 81.3 | Confident | 84.5 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 172.2 | -157.7 | -163.7 | 143.2 | 0 | 0 | 111.7 | E676 N677 L678 K684 | E676-E680 PolarHBondContact O-N 3.01Å; N677-E680 PolarHBondContact O-N 3.19Å; L678-E680 VanDerWaalsContact C-N 3.32Å; E680-K684 VanDerWaalsContact O-CG 3.32Å; E680-K684 WeakPolarHBondContact O-CG 3.42Å; E680-K684 PolarHBondContact O-N 3.1Å; E680-K684 WeakPolarHBondContact OE1-CE 3.37Å; E680-K684 IonicContact OE1-NZ 2.73Å; E680-K684 PolarHBondContact OE1-NZ 3.39Å |
| 681 | E | 83.9 | Confident | 84.5 | Confident | 128 Ų | 128 | 102.8 Ų | 102.8 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.4 | -39.9 | 172.5 | -73.5 | -161.1 | 158.6 | 0 | 0 | 113.2 | N677 L678 L679 K684 A685 | N677-E681 PolarHBondContact O-N 3.07Å; L678-E681 CarbonylContact O-C 3.54Å; L678-E681 WeakPolarHBondContact O-CB 3.28Å; L678-E681 PolarHBondContact O-N 3.4Å; L679-E681 VanDerWaalsContact C-N 3.31Å; L679-E681 PolarHBondContact O-N 3.14Å; E681-K684 WeakPolarHBondContact O-CB 3.45Å; E681-K684 PolarHBondContact O-N 2.88Å; E681-A685 WeakPolarHBondContact O-CB 3.39Å; E681-A685 PolarHBondContact O-N 2.93Å |
| 682 | V | 81.6 | Confident | 84.4 | Confident | 87 Ų | 87 | 100 Ų | 100 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 176.6 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L678 L679 K684 A685 K686 | L678-V682 WeakPolarHBondContact O-CG2 3.48Å; L678-V682 PolarHBondContact O-N 3.04Å; L679-V682 PolarHBondContact O-N 3.5Å; V682-K684 VanDerWaalsContact C-N 3.34Å; V682-K684 PolarHBondContact O-N 2.78Å; V682-A685 CarbonylContact O-C 3.57Å; V682-A685 PolarHBondContact O-N 3.28Å; V682-K686 VanDerWaalsContact O-CB 3.28Å; V682-K686 WeakPolarHBondContact O-CB 3.46Å; V682-K686 PolarHBondContact O-N 3.45Å |
| 683 | E | 83.5 | Confident | 84.3 | Confident | 98 Ų | 98 | 97.5 Ų | 97.5 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 177.7 | -150.3 | 67.2 | -159.9 | 0 | 0 | 110.6 | L679 K686 V687 | L679-E683 PolarHBondContact O-N 3.23Å; E683-K686 PolarHBondContact O-N 3.14Å; E683-K686 IonicContact OE1-NZ 3.14Å; E683-V687 WeakPolarHBondContact O-CG2 3.33Å; E683-V687 PolarHBondContact O-N 3.44Å |
| 684 | K | 86.6 | Confident | 84.2 | Confident | 114 Ų | 114 | 100.8 Ų | 100.8 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 170.7 | -71.5 | 168 | -171.2 | 164.1 | 0 | 111.6 | E680 E681 V682 K686 V687 I688 | E680-K684 VanDerWaalsContact O-CG 3.32Å; E680-K684 WeakPolarHBondContact O-CG 3.42Å; E680-K684 PolarHBondContact O-N 3.1Å; E680-K684 WeakPolarHBondContact OE1-CE 3.37Å; E680-K684 IonicContact OE1-NZ 2.73Å; E680-K684 PolarHBondContact OE1-NZ 3.39Å; E681-K684 WeakPolarHBondContact O-CB 3.45Å; E681-K684 PolarHBondContact O-N 2.88Å; V682-K684 VanDerWaalsContact C-N 3.34Å; V682-K684 PolarHBondContact O-N 2.78Å; K684-K686 VanDerWaalsContact C-N 3.34Å; K684-K686 PolarHBondContact O-N 3.22Å; K684-V687 PolarHBondContact O-N 3.46Å; K684-I688 WeakPolarHBondContact O-CG1 3.22Å; K684-I688 PolarHBondContact O-N 2.88Å |
| 685 | A | 82.9 | Confident | 84.4 | Confident | 55 Ų | 55 | 103.8 Ų | 103.8 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -35.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E681 V682 I688 A689 | E681-A685 WeakPolarHBondContact O-CB 3.39Å; E681-A685 PolarHBondContact O-N 2.93Å; V682-A685 CarbonylContact O-C 3.57Å; V682-A685 PolarHBondContact O-N 3.28Å; A685-I688 WeakPolarHBondContact O-CB 3.48Å; A685-I688 PolarHBondContact O-N 3.47Å; A685-A689 WeakPolarHBondContact O-CB 3.32Å; A685-A689 PolarHBondContact O-N 3.32Å |
| 686 | K | 86.4 | Confident | 84.5 | Confident | 108 Ų | 108 | 102 Ų | 102 | 47% | 0.47 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 178.1 | -169.1 | -178.8 | 174.8 | -165.3 | 0 | 111.9 | V682 E683 K684 I688 A689 D690 | V682-K686 VanDerWaalsContact O-CB 3.28Å; V682-K686 WeakPolarHBondContact O-CB 3.46Å; V682-K686 PolarHBondContact O-N 3.45Å; E683-K686 PolarHBondContact O-N 3.14Å; E683-K686 IonicContact OE1-NZ 3.14Å; K684-K686 VanDerWaalsContact C-N 3.34Å; K684-K686 PolarHBondContact O-N 3.22Å; K686-I688 VanDerWaalsContact C-N 3.29Å; K686-I688 PolarHBondContact O-N 3.11Å; K686-A689 PolarHBondContact O-N 3.34Å; K686-D690 WeakPolarHBondContact O-CB 3.45Å; K686-D690 PolarHBondContact O-N 2.72Å |
| 687 | V | 85.4 | Confident | 84.7 | Confident | 90 Ų | 90 | 101.9 Ų | 101.9 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 171.8 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | E683 K684 D690 E691 | E683-V687 WeakPolarHBondContact O-CG2 3.33Å; E683-V687 PolarHBondContact O-N 3.44Å; K684-V687 PolarHBondContact O-N 3.46Å; V687-D690 PolarHBondContact O-N 3.34Å; V687-E691 PolarHBondContact O-N 3.11Å; V687-E691 VanDerWaalsContact O-N 3.12Å |
| 688 | I | 86.7 | Confident | 84.6 | Confident | 116 Ų | 116 | 102 Ų | 102 | 60% | 0.595 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 175.5 | -64.7 | 165.4 | 0 | 0 | 0 | 111.2 | K684 A685 K686 E691 A692 | K684-I688 WeakPolarHBondContact O-CG1 3.22Å; K684-I688 PolarHBondContact O-N 2.88Å; A685-I688 WeakPolarHBondContact O-CB 3.48Å; A685-I688 PolarHBondContact O-N 3.47Å; K686-I688 VanDerWaalsContact C-N 3.29Å; K686-I688 PolarHBondContact O-N 3.11Å; I688-E691 PolarHBondContact O-N 2.93Å; I688-A692 PolarHBondContact O-N 3.34Å |
| 689 | A | 84.7 | Confident | 84.7 | Confident | 49 Ų | 49 | 100.7 Ų | 100.7 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A685 K686 E691 A692 V693 | A685-A689 WeakPolarHBondContact O-CB 3.32Å; A685-A689 PolarHBondContact O-N 3.32Å; K686-A689 PolarHBondContact O-N 3.34Å; A689-E691 VanDerWaalsContact C-N 3.34Å; A689-E691 PolarHBondContact O-N 3.02Å; A689-A692 WeakPolarHBondContact O-CB 3.34Å; A689-A692 PolarHBondContact O-N 3Å; A689-V693 WeakPolarHBondContact O-CG2 3.4Å; A689-V693 PolarHBondContact O-N 2.83Å |
| 690 | D | 84.5 | Confident | 84.8 | Confident | 100 Ų | 100 | 99.1 Ų | 99.1 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 176.9 | -79.4 | -22.8 | 0 | 0 | 0 | 111.7 | K686 V687 V693 K694 | K686-D690 WeakPolarHBondContact O-CB 3.45Å; K686-D690 PolarHBondContact O-N 2.72Å; V687-D690 PolarHBondContact O-N 3.34Å; D690-V693 PolarHBondContact O-N 2.91Å; D690-K694 WeakPolarHBondContact O-CB 3.44Å; D690-K694 PolarHBondContact O-N 3.35Å |
| 691 | E | 84.2 | Confident | 85 | Confident | 138 Ų | 138 | 100.1 Ų | 100.1 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 169.7 | -93 | -170.8 | 155.7 | 0 | 0 | 112.3 | V687 I688 A689 V693 K694 L695 | V687-E691 PolarHBondContact O-N 3.11Å; V687-E691 VanDerWaalsContact O-N 3.12Å; I688-E691 PolarHBondContact O-N 2.93Å; A689-E691 VanDerWaalsContact C-N 3.34Å; A689-E691 PolarHBondContact O-N 3.02Å; E691-V693 PolarHBondContact O-N 3.46Å; E691-K694 WeakPolarHBondContact O-CB 3.42Å; E691-K694 PolarHBondContact O-N 2.63Å; E691-L695 PolarHBondContact O-N 2.79Å |
| 692 | A | 85.9 | Confident | 85 | Confident | 60 Ų | 60 | 102 Ų | 102 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I688 A689 K694 L695 Q696 | I688-A692 PolarHBondContact O-N 3.34Å; A689-A692 WeakPolarHBondContact O-CB 3.34Å; A689-A692 PolarHBondContact O-N 3Å; A692-K694 VanDerWaalsContact C-N 3.34Å; A692-K694 PolarHBondContact O-N 3.44Å; A692-L695 WeakPolarHBondContact O-CB 3.46Å; A692-L695 PolarHBondContact O-N 2.77Å; A692-Q696 PolarHBondContact O-N 3.44Å |
| 693 | V | 87.3 | Confident | 85.1 | Confident | 72 Ų | 72 | 101 Ų | 101 | 44% | 0.436 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 175.3 | 170 | 0 | 0 | 0 | 0 | 111.4 | A689 D690 E691 L695 Q696 K697 | A689-V693 WeakPolarHBondContact O-CG2 3.4Å; A689-V693 PolarHBondContact O-N 2.83Å; D690-V693 PolarHBondContact O-N 2.91Å; E691-V693 PolarHBondContact O-N 3.46Å; V693-L695 VanDerWaalsContact C-N 3.3Å; V693-L695 PolarHBondContact O-N 2.91Å; V693-Q696 PolarHBondContact O-N 2.74Å; V693-K697 HydrophobicContact CG1-CD 4.32Å; V693-K697 WeakPolarHBondContact O-CG 3.41Å; V693-K697 PolarHBondContact O-N 3.04Å |
| 694 | K | 86.6 | Confident | 85.1 | Confident | 164 Ų | 164 | 102.7 Ų | 102.7 | 71% | 0.713 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | 175.6 | -165.8 | -178.8 | 179.9 | -174.1 | 0 | 111.1 | D690 E691 A692 E698 | D690-K694 WeakPolarHBondContact O-CB 3.44Å; D690-K694 PolarHBondContact O-N 3.35Å; E691-K694 WeakPolarHBondContact O-CB 3.42Å; E691-K694 PolarHBondContact O-N 2.63Å; A692-K694 VanDerWaalsContact C-N 3.34Å; A692-K694 PolarHBondContact O-N 3.44Å; K694-E698 PolarHBondContact O-N 3.28Å |
| 695 | L | 85.5 | Confident | 84.9 | Confident | 120 Ų | 120 | 103.4 Ų | 103.4 | 63% | 0.628 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 174.5 | -146.8 | 85.8 | 0 | 0 | 0 | 111.8 | E691 A692 V693 E698 I699 | E691-L695 PolarHBondContact O-N 2.79Å; A692-L695 WeakPolarHBondContact O-CB 3.46Å; A692-L695 PolarHBondContact O-N 2.77Å; V693-L695 VanDerWaalsContact C-N 3.3Å; V693-L695 PolarHBondContact O-N 2.91Å; L695-E698 WeakPolarHBondContact O-CB 3.45Å; L695-E698 PolarHBondContact O-N 3.48Å; L695-I699 WeakPolarHBondContact O-CG1 3.34Å; L695-I699 PolarHBondContact O-N 3.42Å |
| 696 | Q | 86.6 | Confident | 85.2 | Confident | 95 Ų | 95 | 107.5 Ų | 107.5 | 44% | 0.444 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 176.7 | -176.1 | 62.5 | 49.5 | 0 | 0 | 111.7 | A692 V693 E698 I699 D700 | A692-Q696 PolarHBondContact O-N 3.44Å; V693-Q696 PolarHBondContact O-N 2.74Å; Q696-E698 PolarHBondContact O-N 3.01Å; Q696-I699 WeakPolarHBondContact O-CB 3.45Å; Q696-I699 PolarHBondContact O-N 3.04Å; Q696-D700 PolarHBondContact NE2-OD1 3.09Å; Q696-D700 PolarHBondContact O-N 3.29Å |
| 697 | K | 84.1 | Confident | 85.1 | Confident | 132 Ų | 132 | 106.5 Ų | 106.5 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59 | -32.4 | 177.6 | -74.5 | 176.7 | 179.7 | 175.2 | 0 | 112.6 | V693 K701 | V693-K697 HydrophobicContact CG1-CD 4.32Å; V693-K697 WeakPolarHBondContact O-CG 3.41Å; V693-K697 PolarHBondContact O-N 3.04Å; K697-K701 VanDerWaalsContact O-CG 3.32Å; K697-K701 WeakPolarHBondContact O-CG 3.25Å; K697-K701 PolarHBondContact O-N 3.37Å |
| 698 | E | 83.6 | Confident | 85 | Confident | 95 Ų | 95 | 105 Ų | 105 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74.3 | -37.2 | 175.7 | -172.7 | 57.3 | -151.5 | 0 | 0 | 112.3 | K694 L695 Q696 R702 | K694-E698 PolarHBondContact O-N 3.28Å; L695-E698 WeakPolarHBondContact O-CB 3.45Å; L695-E698 PolarHBondContact O-N 3.48Å; Q696-E698 PolarHBondContact O-N 3.01Å; E698-R702 PolarHBondContact O-N 3.47Å |
| 699 | I | 84.3 | Confident | 84.7 | Confident | 78 Ų | 78 | 104.8 Ų | 104.8 | 40% | 0.4 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 172.3 | -65.5 | 166.8 | 0 | 0 | 0 | 110.5 | L695 Q696 R702 C703 | L695-I699 WeakPolarHBondContact O-CG1 3.34Å; L695-I699 PolarHBondContact O-N 3.42Å; Q696-I699 WeakPolarHBondContact O-CB 3.45Å; Q696-I699 PolarHBondContact O-N 3.04Å; I699-R702 PolarHBondContact O-N 3.46Å; I699-C703 PolarHBondContact O-N 3.31Å |
| 700 | D | 85.9 | Confident | 84.4 | Confident | 73 Ų | 73 | 108.3 Ų | 108.3 | 39% | 0.39 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 178.9 | -68.9 | -17.8 | 0 | 0 | 0 | 112 | Q696 R702 C703 Q704 | Q696-D700 PolarHBondContact NE2-OD1 3.09Å; Q696-D700 PolarHBondContact O-N 3.29Å; D700-R702 VanDerWaalsContact C-N 3.32Å; D700-R702 PolarHBondContact O-N 3.36Å; D700-C703 WeakPolarHBondContact O-CB 3.45Å; D700-C703 PolarHBondContact O-N 3.15Å; D700-Q704 WeakPolarHBondContact O-CB 3.39Å; D700-Q704 WeakPolarHBondContact O-CG 3.32Å; D700-Q704 PolarHBondContact O-N 3.32Å |
| 701 | K | 84.2 | Confident | 84.2 | Confident | 130 Ų | 130 | 106.9 Ų | 106.9 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.5 | -42.1 | 172.6 | -79 | 176.4 | -178 | 178.6 | 0 | 112.1 | K697 Q704 H705 | K697-K701 VanDerWaalsContact O-CG 3.32Å; K697-K701 WeakPolarHBondContact O-CG 3.25Å; K697-K701 PolarHBondContact O-N 3.37Å; K701-Q704 PolarHBondContact O-N 2.92Å; K701-H705 WeakPolarHBondContact O-CB 3.4Å; K701-H705 PolarHBondContact O-N 2.9Å |
| 702 | R | 83.9 | Confident | 84.1 | Confident | 167 Ų | 167 | 103 Ų | 103 | 63% | 0.63 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -38.7 | 174 | -83.8 | -166.6 | -74.4 | -152.1 | -3.2 | 112.4 | E698 I699 D700 H705 K706 | E698-R702 PolarHBondContact O-N 3.47Å; I699-R702 PolarHBondContact O-N 3.46Å; D700-R702 VanDerWaalsContact C-N 3.32Å; D700-R702 PolarHBondContact O-N 3.36Å; R702-H705 PolarHBondContact O-N 2.82Å; R702-K706 PolarHBondContact O-N 2.97Å |
| 703 | C | 84.5 | Confident | 84.1 | Confident | 66 Ų | 66 | 104.9 Ų | 104.9 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 174.5 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | I699 D700 H705 K706 I707 | I699-C703 PolarHBondContact O-N 3.31Å; D700-C703 WeakPolarHBondContact O-CB 3.45Å; D700-C703 PolarHBondContact O-N 3.15Å; C703-H705 VanDerWaalsContact C-N 3.28Å; C703-H705 PolarHBondContact O-N 3.11Å; C703-K706 WeakPolarHBondContact O-CA 3.43Å; C703-K706 VanDerWaalsContact O-CB 3.32Å; C703-K706 WeakPolarHBondContact O-CB 3.43Å; C703-K706 PolarHBondContact O-N 3.3Å; C703-K706 VanDerWaalsContact O-N 3.08Å; C703-I707 WeakPolarHBondContact O-CG1 3.42Å; C703-I707 PolarHBondContact O-N 3.33Å |
| 704 | Q | 82.6 | Confident | 83.6 | Confident | 134 Ų | 134 | 107.9 Ų | 107.9 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.3 | -40.1 | 176 | -75.5 | -177.5 | -9.3 | 0 | 0 | 112.1 | D700 K701 I707 A708 | D700-Q704 WeakPolarHBondContact O-CB 3.39Å; D700-Q704 WeakPolarHBondContact O-CG 3.32Å; D700-Q704 PolarHBondContact O-N 3.32Å; K701-Q704 PolarHBondContact O-N 2.92Å; Q704-I707 PolarHBondContact O-N 3.48Å; Q704-A708 WeakPolarHBondContact O-CB 3.45Å; Q704-A708 PolarHBondContact O-N 3.48Å |
| 705 | H | 83.2 | Confident | 83.3 | Confident | 129 Ų | 129 | 105.3 Ų | 105.3 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.1 | -42.3 | 174.9 | -162.9 | 69.5 | 0 | 0 | 0 | 112.1 | K701 R702 C703 I707 A708 E709 | K701-H705 WeakPolarHBondContact O-CB 3.4Å; K701-H705 PolarHBondContact O-N 2.9Å; R702-H705 PolarHBondContact O-N 2.82Å; C703-H705 VanDerWaalsContact C-N 3.28Å; C703-H705 PolarHBondContact O-N 3.11Å; H705-I707 VanDerWaalsContact C-N 3.34Å; H705-I707 PolarHBondContact O-N 3.32Å; H705-A708 PolarHBondContact O-N 3.4Å; H705-E709 PolarHBondContact O-N 3.5Å |
| 706 | K | 88.1 | Confident | 83.2 | Confident | 141 Ų | 141 | 106.4 Ų | 106.4 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.7 | -39.8 | 175 | -157.5 | 79.6 | 173.8 | 178.6 | 0 | 112.4 | R702 C703 E709 M710 | R702-K706 PolarHBondContact O-N 2.97Å; C703-K706 WeakPolarHBondContact O-CA 3.43Å; C703-K706 VanDerWaalsContact O-CB 3.32Å; C703-K706 WeakPolarHBondContact O-CB 3.43Å; C703-K706 PolarHBondContact O-N 3.3Å; C703-K706 VanDerWaalsContact O-N 3.08Å; K706-E709 PolarHBondContact O-N 3.08Å; K706-M710 PolarHBondContact O-N 3.48Å; K706-M710 VanDerWaalsContact O-N 3.14Å |
| 707 | I | 85.6 | Confident | 83 | Confident | 87 Ų | 87 | 106.2 Ų | 106.2 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 175.5 | -66.7 | 165.2 | 0 | 0 | 0 | 109.9 | C703 Q704 H705 E709 M710 V711 | C703-I707 WeakPolarHBondContact O-CG1 3.42Å; C703-I707 PolarHBondContact O-N 3.33Å; Q704-I707 PolarHBondContact O-N 3.48Å; H705-I707 VanDerWaalsContact C-N 3.34Å; H705-I707 PolarHBondContact O-N 3.32Å; I707-E709 PolarHBondContact O-N 3.22Å; I707-M710 PolarHBondContact O-N 2.86Å; I707-M710 VanDerWaalsContact O-N 3.11Å; I707-V711 HydrophobicContact CG2-CG2 4.21Å; I707-V711 WeakPolarHBondContact O-CG2 3.49Å; I707-V711 PolarHBondContact O-N 2.99Å |
| 708 | A | 82.1 | Confident | 83.1 | Confident | 58 Ų | 58 | 105.7 Ų | 105.7 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q704 H705 M710 V711 A712 | Q704-A708 WeakPolarHBondContact O-CB 3.45Å; Q704-A708 PolarHBondContact O-N 3.48Å; H705-A708 PolarHBondContact O-N 3.4Å; A708-M710 VanDerWaalsContact C-N 3.33Å; A708-M710 PolarHBondContact O-N 3.48Å; A708-V711 PolarHBondContact O-N 3.44Å; A708-A712 WeakPolarHBondContact O-CB 3.4Å; A708-A712 PolarHBondContact O-N 3.23Å |
| 709 | E | 80.5 | Confident | 82.9 | Confident | 112 Ų | 112 | 107.1 Ų | 107.1 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 172 | -79.9 | -174.2 | 149.4 | 0 | 0 | 112.3 | H705 K706 I707 A712 L713 | H705-E709 PolarHBondContact O-N 3.5Å; K706-E709 PolarHBondContact O-N 3.08Å; I707-E709 PolarHBondContact O-N 3.22Å; E709-A712 PolarHBondContact O-N 3.44Å; E709-L713 PolarHBondContact O-N 3.1Å; E709-L713 VanDerWaalsContact O-N 3.09Å |
| 710 | M | 78.9 | Confident | 82.8 | Confident | 123 Ų | 123 | 108.9 Ų | 108.9 | 61% | 0.606 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.4 | -36.3 | -178.8 | -161.2 | 146 | 64.7 | 0 | 0 | 112.5 | K706 I707 A708 L713 M714 | K706-M710 PolarHBondContact O-N 3.48Å; K706-M710 VanDerWaalsContact O-N 3.14Å; I707-M710 PolarHBondContact O-N 2.86Å; I707-M710 VanDerWaalsContact O-N 3.11Å; A708-M710 VanDerWaalsContact C-N 3.33Å; A708-M710 PolarHBondContact O-N 3.48Å; M710-L713 PolarHBondContact O-N 3.35Å; M710-M714 PolarHBondContact O-N 2.69Å |
| 711 | V | 79.7 | Confident | 82.6 | Confident | 70 Ų | 70 | 112.5 Ų | 112.5 | 42% | 0.424 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 172.9 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | I707 A708 L713 M714 E715 | I707-V711 HydrophobicContact CG2-CG2 4.21Å; I707-V711 WeakPolarHBondContact O-CG2 3.49Å; I707-V711 PolarHBondContact O-N 2.99Å; A708-V711 PolarHBondContact O-N 3.44Å; V711-L713 VanDerWaalsContact C-N 3.27Å; V711-L713 PolarHBondContact O-N 3.03Å; V711-M714 PolarHBondContact O-N 3.43Å; V711-M714 VanDerWaalsContact O-N 3.13Å; V711-E715 PolarHBondContact O-N 3.13Å |
| 712 | A | 82.5 | Confident | 82.5 | Confident | 58 Ų | 58 | 109.7 Ų | 109.7 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A708 E709 K716 | A708-A712 WeakPolarHBondContact O-CB 3.4Å; A708-A712 PolarHBondContact O-N 3.23Å; E709-A712 PolarHBondContact O-N 3.44Å; A712-K716 PolarHBondContact O-N 3.45Å |
| 713 | L | 85.6 | Confident | 82.5 | Confident | 99 Ų | 99 | 108.8 Ų | 108.8 | 52% | 0.518 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 173 | -174.5 | 67.6 | 0 | 0 | 0 | 111.9 | E709 M710 V711 K716 H717 | E709-L713 PolarHBondContact O-N 3.1Å; E709-L713 VanDerWaalsContact O-N 3.09Å; M710-L713 PolarHBondContact O-N 3.35Å; V711-L713 VanDerWaalsContact C-N 3.27Å; V711-L713 PolarHBondContact O-N 3.03Å; L713-K716 WeakPolarHBondContact O-CB 3.29Å; L713-K716 PolarHBondContact O-N 3.38Å; L713-H717 PolarHBondContact O-N 3.38Å |
| 714 | M | 78 | Confident | 82.4 | Confident | 134 Ų | 134 | 109.3 Ų | 109.3 | 66% | 0.66 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -40.7 | 176.7 | -86.9 | -174.8 | 51.3 | 0 | 0 | 112.8 | M710 V711 K716 H717 K718 | M710-M714 PolarHBondContact O-N 2.69Å; V711-M714 PolarHBondContact O-N 3.43Å; V711-M714 VanDerWaalsContact O-N 3.13Å; M714-K716 VanDerWaalsContact C-N 3.26Å; M714-K716 PolarHBondContact O-N 3.04Å; M714-H717 PolarHBondContact O-N 3.26Å; M714-K718 WeakPolarHBondContact O-CB 3.19Å; M714-K718 PolarHBondContact O-N 3.3Å |
| 715 | E | 80.2 | Confident | 82.3 | Confident | 110 Ų | 110 | 107.3 Ų | 107.3 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 174.6 | -84.8 | -179 | 154 | 0 | 0 | 111.6 | V711 K718 H719 | V711-E715 PolarHBondContact O-N 3.13Å; E715-K718 PolarHBondContact O-N 3.47Å; E715-H719 PolarHBondContact O-N 3.25Å; E715-H719 PolarHBondContact O-ND1 3.01Å |
| 716 | K | 82.8 | Confident | 82.1 | Confident | 144 Ų | 144 | 107.7 Ų | 107.7 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -42.7 | 174.1 | -154.3 | 178.5 | -173.5 | -179.9 | 0 | 111.7 | A712 L713 M714 Q720 | A712-K716 PolarHBondContact O-N 3.45Å; L713-K716 WeakPolarHBondContact O-CB 3.29Å; L713-K716 PolarHBondContact O-N 3.38Å; M714-K716 VanDerWaalsContact C-N 3.26Å; M714-K716 PolarHBondContact O-N 3.04Å; K716-Q720 WeakPolarHBondContact O-CG 3.36Å; K716-Q720 PolarHBondContact O-N 3.4Å; K716-Q720 VanDerWaalsContact O-N 3.16Å |
| 717 | H | 83.3 | Confident | 81.8 | Confident | 90 Ų | 90 | 106.9 Ų | 106.9 | 42% | 0.417 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 173.1 | -74.9 | -161 | 0 | 0 | 0 | 111.8 | L713 M714 Q720 Y721 | L713-H717 PolarHBondContact O-N 3.38Å; M714-H717 PolarHBondContact O-N 3.26Å; H717-Q720 WeakPolarHBondContact O-CB 3.46Å; H717-Q720 PolarHBondContact O-N 3.28Å; H717-Q720 VanDerWaalsContact O-N 3.14Å; H717-Y721 HydrophobicContact CB-CE2 4.32Å; H717-Y721 WeakPolarHBondContact O-CD2 3.39Å; H717-Y721 PolarHBondContact O-N 2.84Å |
| 718 | K | 85.9 | Confident | 81.5 | Confident | 121 Ų | 121 | 109.6 Ų | 109.6 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 175.3 | -172.6 | -168.1 | 169.9 | -156.6 | 0 | 111.5 | M714 E715 Q720 Y721 D722 | M714-K718 WeakPolarHBondContact O-CB 3.19Å; M714-K718 PolarHBondContact O-N 3.3Å; E715-K718 PolarHBondContact O-N 3.47Å; K718-Q720 VanDerWaalsContact C-N 3.27Å; K718-Q720 PolarHBondContact O-N 3.36Å; K718-Y721 PolarHBondContact O-N 2.96Å; K718-Y721 VanDerWaalsContact O-N 3.08Å; K718-D722 PolarHBondContact O-N 3.26Å |
| 719 | H | 80.1 | Confident | 81.5 | Confident | 126 Ų | 126 | 111.5 Ų | 111.5 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.8 | -33.9 | 175 | -77.9 | 81.8 | 0 | 0 | 0 | 112.6 | E715 K723 | E715-H719 PolarHBondContact O-N 3.25Å; E715-H719 PolarHBondContact O-ND1 3.01Å; H719-K723 WeakPolarHBondContact O-CB 3.49Å; H719-K723 PolarHBondContact O-N 3.16Å |
| 720 | Q | 81.8 | Confident | 81.6 | Confident | 114 Ų | 114 | 109.9 Ų | 109.9 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 172.8 | -73.7 | -178.6 | -29.3 | 0 | 0 | 111.9 | K716 H717 K718 I724 | K716-Q720 WeakPolarHBondContact O-CG 3.36Å; K716-Q720 PolarHBondContact O-N 3.4Å; K716-Q720 VanDerWaalsContact O-N 3.16Å; H717-Q720 WeakPolarHBondContact O-CB 3.46Å; H717-Q720 PolarHBondContact O-N 3.28Å; H717-Q720 VanDerWaalsContact O-N 3.14Å; K718-Q720 VanDerWaalsContact C-N 3.27Å; K718-Q720 PolarHBondContact O-N 3.36Å; Q720-I724 WeakPolarHBondContact O-CD1 3.44Å; Q720-I724 VanDerWaalsContact O-CG1 3.26Å; Q720-I724 WeakPolarHBondContact O-CG1 3.43Å; Q720-I724 PolarHBondContact O-N 3.44Å; Q720-I724 VanDerWaalsContact O-N 3.15Å |
| 721 | Y | 80.4 | Confident | 81.7 | Confident | 149 Ų | 149 | 108.3 Ų | 108.3 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.1 | -44.7 | 175.3 | -69 | -57.7 | 0 | 0 | 0 | 112.7 | H717 K718 K723 I724 I725 | H717-Y721 HydrophobicContact CB-CE2 4.32Å; H717-Y721 WeakPolarHBondContact O-CD2 3.39Å; H717-Y721 PolarHBondContact O-N 2.84Å; K718-Y721 PolarHBondContact O-N 2.96Å; K718-Y721 VanDerWaalsContact O-N 3.08Å; Y721-K723 PolarHBondContact O-N 3.36Å; Y721-I724 HydrophobicContact CD1-CD1 4.47Å; Y721-I724 WeakPolarHBondContact O-CB 3.33Å; Y721-I724 PolarHBondContact O-N 3.31Å; Y721-I725 WeakPolarHBondContact O-CG1 3.44Å; Y721-I725 PolarHBondContact O-N 3.21Å |
| 722 | D | 82.4 | Confident | 81.8 | Confident | 72 Ų | 72 | 109.4 Ų | 109.4 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 177.5 | -68.5 | -20.8 | 0 | 0 | 0 | 110.5 | K718 I725 E726 | K718-D722 PolarHBondContact O-N 3.26Å; D722-I725 PolarHBondContact O-N 3.36Å; D722-E726 PolarHBondContact O-N 3.36Å |
| 723 | K | 84.5 | Confident | 81.7 | Confident | 148 Ų | 148 | 108.2 Ų | 108.2 | 64% | 0.643 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 173.4 | -171.9 | 176.5 | -175.9 | -177.1 | 0 | 113.2 | H719 Y721 I725 E727 | H719-K723 WeakPolarHBondContact O-CB 3.49Å; H719-K723 PolarHBondContact O-N 3.16Å; Y721-K723 PolarHBondContact O-N 3.36Å; K723-I725 VanDerWaalsContact C-N 3.3Å; K723-E727 WeakPolarHBondContact O-CB 3.36Å; K723-E727 PolarHBondContact O-N 2.95Å |
| 724 | I | 82.3 | Confident | 81.4 | Confident | 76 Ų | 76 | 109.3 Ų | 109.3 | 39% | 0.39 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 176.2 | -68.5 | 163.2 | 0 | 0 | 0 | 110.5 | Q720 Y721 R728 | Q720-I724 WeakPolarHBondContact O-CD1 3.44Å; Q720-I724 VanDerWaalsContact O-CG1 3.26Å; Q720-I724 WeakPolarHBondContact O-CG1 3.43Å; Q720-I724 PolarHBondContact O-N 3.44Å; Q720-I724 VanDerWaalsContact O-N 3.15Å; Y721-I724 HydrophobicContact CD1-CD1 4.47Å; Y721-I724 WeakPolarHBondContact O-CB 3.33Å; Y721-I724 PolarHBondContact O-N 3.31Å; I724-R728 WeakPolarHBondContact O-CB 3.45Å; I724-R728 VanDerWaalsContact O-CG 3.25Å; I724-R728 WeakPolarHBondContact O-CG 3.46Å; I724-R728 PolarHBondContact O-N 3.08Å |
| 725 | I | 80.8 | Confident | 81.4 | Confident | 92 Ų | 92 | 110.1 Ų | 110.1 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -49.1 | 176.8 | -67.6 | 171.3 | 0 | 0 | 0 | 110.5 | Y721 D722 K723 E727 R728 D729 | Y721-I725 WeakPolarHBondContact O-CG1 3.44Å; Y721-I725 PolarHBondContact O-N 3.21Å; D722-I725 PolarHBondContact O-N 3.36Å; K723-I725 VanDerWaalsContact C-N 3.3Å; I725-E727 VanDerWaalsContact C-N 3.27Å; I725-E727 PolarHBondContact O-N 3.45Å; I725-R728 CarbonylContact O-C 3.59Å; I725-R728 WeakPolarHBondContact O-CB 3.4Å; I725-R728 PolarHBondContact O-N 3.45Å; I725-R728 VanDerWaalsContact O-N 3.09Å; I725-D729 PolarHBondContact O-N 3.46Å |
| 726 | E | 79.5 | Confident | 81.5 | Confident | 138 Ų | 138 | 111.4 Ų | 111.4 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.1 | -38.7 | 175.5 | -85.4 | -175.7 | 161.1 | 0 | 0 | 112.6 | D722 D729 S730 | D722-E726 PolarHBondContact O-N 3.36Å; E726-D729 PolarHBondContact O-N 3.33Å; E726-S730 WeakPolarHBondContact O-CB 3.36Å; E726-S730 PolarHBondContact O-N 3.36Å; E726-S730 PolarHBondContact O-OG 3.47Å |
| 727 | E | 80.2 | Confident | 81.3 | Confident | 123 Ų | 123 | 108 Ų | 108 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 176.9 | -162.1 | 172.2 | -149.6 | 0 | 0 | 111.1 | K723 I725 S730 E731 | K723-E727 WeakPolarHBondContact O-CB 3.36Å; K723-E727 PolarHBondContact O-N 2.95Å; I725-E727 VanDerWaalsContact C-N 3.27Å; I725-E727 PolarHBondContact O-N 3.45Å; E727-S730 PolarHBondContact O-N 3.25Å; E727-E731 WeakPolarHBondContact O-CB 3.38Å; E727-E731 PolarHBondContact O-N 3.02Å |
| 728 | R | 80.4 | Confident | 81.2 | Confident | 144 Ų | 144 | 110.3 Ų | 110.3 | 54% | 0.543 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 174.5 | -74.3 | -73.5 | 145.9 | 63.9 | 7.7 | 113 | I724 I725 S730 E731 L732 | I724-R728 WeakPolarHBondContact O-CB 3.45Å; I724-R728 VanDerWaalsContact O-CG 3.25Å; I724-R728 WeakPolarHBondContact O-CG 3.46Å; I724-R728 PolarHBondContact O-N 3.08Å; I725-R728 CarbonylContact O-C 3.59Å; I725-R728 WeakPolarHBondContact O-CB 3.4Å; I725-R728 PolarHBondContact O-N 3.45Å; I725-R728 VanDerWaalsContact O-N 3.09Å; R728-S730 VanDerWaalsContact C-N 3.35Å; R728-E731 IonicContact NE-OE2 3.95Å; R728-E731 PolarHBondContact NE-OE2 3.16Å; R728-E731 VanDerWaalsContact NE-OE2 3.14Å; R728-E731 WeakPolarHBondContact O-CB 3.42Å; R728-E731 PolarHBondContact O-N 2.71Å; R728-L732 WeakPolarHBondContact O-CB 3.08Å; R728-L732 PolarHBondContact O-N 3.3Å |
| 729 | D | 82.7 | Confident | 80.9 | Confident | 98 Ų | 98 | 111.3 Ų | 111.3 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 176 | -74.7 | -24.7 | 0 | 0 | 0 | 111.2 | I725 E726 E731 L732 G733 | I725-D729 PolarHBondContact O-N 3.46Å; E726-D729 PolarHBondContact O-N 3.33Å; D729-E731 VanDerWaalsContact C-N 3.34Å; D729-L732 PolarHBondContact O-N 3.02Å; D729-G733 PolarHBondContact O-N 3.5Å |
| 730 | S | 81.7 | Confident | 80.9 | Confident | 79 Ų | 79 | 112 Ų | 112 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.3 | -40.6 | 171.4 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | E726 E727 R728 G733 L734 | E726-S730 WeakPolarHBondContact O-CB 3.36Å; E726-S730 PolarHBondContact O-N 3.36Å; E726-S730 PolarHBondContact O-OG 3.47Å; E727-S730 PolarHBondContact O-N 3.25Å; R728-S730 VanDerWaalsContact C-N 3.35Å; S730-G733 PolarHBondContact O-N 3.28Å; S730-L734 PolarHBondContact O-N 3.36Å; S730-L734 VanDerWaalsContact O-N 3.11Å |
| 731 | E | 80 | Confident | 80.7 | Confident | 89 Ų | 89 | 113 Ų | 113 | 42% | 0.416 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 175.1 | -163.8 | 171.4 | -155.3 | 0 | 0 | 111.7 | E727 R728 D729 G733 L734 Y735 | E727-E731 WeakPolarHBondContact O-CB 3.38Å; E727-E731 PolarHBondContact O-N 3.02Å; R728-E731 IonicContact NE-OE2 3.95Å; R728-E731 PolarHBondContact NE-OE2 3.16Å; R728-E731 VanDerWaalsContact NE-OE2 3.14Å; R728-E731 WeakPolarHBondContact O-CB 3.42Å; R728-E731 PolarHBondContact O-N 2.71Å; D729-E731 VanDerWaalsContact C-N 3.34Å; E731-G733 PolarHBondContact O-N 3.37Å; E731-L734 WeakPolarHBondContact O-CB 3.49Å; E731-L734 PolarHBondContact O-N 3.19Å; E731-Y735 HydrophobicContact CG-CD2 4.24Å; E731-Y735 HydrophobicContact CG-CE2 4.03Å; E731-Y735 VanDerWaalsContact O-CD2 3.28Å; E731-Y735 WeakPolarHBondContact O-CD2 3.41Å; E731-Y735 PolarHBondContact O-N 3.08Å |
| 732 | L | 81.7 | Confident | 80.8 | Confident | 94 Ų | 94 | 111.6 Ų | 111.6 | 49% | 0.492 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 175.1 | -163 | 81.9 | 0 | 0 | 0 | 111.7 | R728 D729 L734 Y735 K736 | R728-L732 WeakPolarHBondContact O-CB 3.08Å; R728-L732 PolarHBondContact O-N 3.3Å; D729-L732 PolarHBondContact O-N 3.02Å; L732-L734 VanDerWaalsContact C-N 3.34Å; L732-Y735 PolarHBondContact O-N 3.06Å; L732-K736 PolarHBondContact O-N 3.47Å |
| 733 | G | 81.4 | Confident | 80.7 | Confident | 33 Ų | 33 | 111 Ų | 111 | 34% | 0.34 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D729 S730 E731 S737 | D729-G733 PolarHBondContact O-N 3.5Å; S730-G733 PolarHBondContact O-N 3.28Å; E731-G733 PolarHBondContact O-N 3.37Å; G733-S737 PolarHBondContact O-N 3.43Å; G733-S737 PolarHBondContact O-OG 3.14Å |
| 734 | L | 80.2 | Confident | 80.5 | Confident | 122 Ų | 122 | 107.1 Ų | 107.1 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 172.7 | -80.6 | 164.3 | 0 | 0 | 0 | 112.3 | S730 E731 L732 S737 K738 | S730-L734 PolarHBondContact O-N 3.36Å; S730-L734 VanDerWaalsContact O-N 3.11Å; E731-L734 WeakPolarHBondContact O-CB 3.49Å; E731-L734 PolarHBondContact O-N 3.19Å; L732-L734 VanDerWaalsContact C-N 3.34Å; L734-S737 PolarHBondContact O-N 2.98Å; L734-K738 PolarHBondContact O-N 3.35Å |
| 735 | Y | 77.6 | Confident | 80.4 | Confident | 150 Ų | 150 | 108.1 Ų | 108.1 | 59% | 0.588 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 175.7 | -88.1 | -71.2 | 0 | 0 | 0 | 112.5 | E731 L732 S737 K738 E739 | E731-Y735 HydrophobicContact CG-CD2 4.24Å; E731-Y735 HydrophobicContact CG-CE2 4.03Å; E731-Y735 VanDerWaalsContact O-CD2 3.28Å; E731-Y735 WeakPolarHBondContact O-CD2 3.41Å; E731-Y735 PolarHBondContact O-N 3.08Å; L732-Y735 PolarHBondContact O-N 3.06Å; Y735-S737 VanDerWaalsContact C-N 3.28Å; Y735-S737 PolarHBondContact O-N 2.96Å; Y735-K738 PolarHBondContact O-N 3.37Å; Y735-E739 WeakPolarHBondContact O-CB 3.25Å; Y735-E739 PolarHBondContact O-N 2.95Å |
| 736 | K | 81.4 | Confident | 80.4 | Confident | 137 Ų | 137 | 112.4 Ų | 112.4 | 60% | 0.596 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.4 | -40.5 | 174.4 | -78.4 | -178.3 | 178.2 | 177.7 | 0 | 112 | L732 E739 Q740 | L732-K736 PolarHBondContact O-N 3.47Å; K736-E739 PolarHBondContact O-N 2.77Å; K736-Q740 WeakPolarHBondContact O-CB 3.43Å; K736-Q740 PolarHBondContact O-N 3.33Å |
| 737 | S | 78.9 | Confident | 80.4 | Confident | 72 Ų | 72 | 108 Ų | 108 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | G733 L734 Y735 E739 Q740 E741 | G733-S737 PolarHBondContact O-N 3.43Å; G733-S737 PolarHBondContact O-OG 3.14Å; L734-S737 PolarHBondContact O-N 2.98Å; Y735-S737 VanDerWaalsContact C-N 3.28Å; Y735-S737 PolarHBondContact O-N 2.96Å; S737-E739 PolarHBondContact O-N 3.13Å; S737-Q740 PolarHBondContact O-N 3.27Å; S737-E741 PolarHBondContact O-N 3.21Å |
| 738 | K | 80.8 | Confident | 80.4 | Confident | 140 Ų | 140 | 105.2 Ų | 105.2 | 61% | 0.609 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -37.7 | 173.5 | -98.6 | -178.1 | 175.9 | 175.6 | 0 | 113.4 | L734 Y735 E741 Q742 | L734-K738 PolarHBondContact O-N 3.35Å; Y735-K738 PolarHBondContact O-N 3.37Å; K738-E741 PolarHBondContact O-N 3.42Å; K738-Q742 WeakPolarHBondContact O-CB 3.47Å; K738-Q742 WeakPolarHBondContact O-CG 3.34Å; K738-Q742 PolarHBondContact O-N 3.11Å |
| 739 | E | 79.7 | Confident | 80.3 | Confident | 141 Ų | 141 | 102.3 Ų | 102.3 | 66% | 0.659 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.4 | -37.9 | 176.5 | -173.9 | 167.4 | -160.9 | 0 | 0 | 111.1 | Y735 K736 S737 Q742 S743 | Y735-E739 WeakPolarHBondContact O-CB 3.25Å; Y735-E739 PolarHBondContact O-N 2.95Å; K736-E739 PolarHBondContact O-N 2.77Å; S737-E739 PolarHBondContact O-N 3.13Å; E739-Q742 PolarHBondContact O-N 3.06Å; E739-S743 VanDerWaalsContact O-CB 3.32Å; E739-S743 WeakPolarHBondContact O-CB 3.47Å; E739-S743 PolarHBondContact O-N 3.19Å; E739-S743 PolarHBondContact O-OG 3.34Å |
| 740 | Q | 80.6 | Confident | 80.2 | Confident | 141 Ų | 141 | 104.3 Ų | 104.3 | 66% | 0.659 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.7 | -38.5 | 172.5 | -168.6 | 135.7 | -13.6 | 0 | 0 | 112.1 | K736 S737 S743 S744 | K736-Q740 WeakPolarHBondContact O-CB 3.43Å; K736-Q740 PolarHBondContact O-N 3.33Å; S737-Q740 PolarHBondContact O-N 3.27Å; Q740-S743 VanDerWaalsContact CA-OG 3.23Å; Q740-S743 WeakPolarHBondContact CA-OG 3.01Å; Q740-S743 PolarHBondContact O-OG 3.43Å; Q740-S744 WeakPolarHBondContact O-CB 3.46Å; Q740-S744 PolarHBondContact O-N 3.39Å; Q740-S744 PolarHBondContact O-OG 3.34Å |
| 741 | E | 78.5 | Confident | 80 | Confident | 136 Ų | 136 | 105.7 Ų | 105.7 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.7 | -48.5 | 170.1 | -85.5 | -173.9 | 156.5 | 0 | 0 | 111.9 | S737 K738 S743 S744 L745 | S737-E741 PolarHBondContact O-N 3.21Å; K738-E741 PolarHBondContact O-N 3.42Å; E741-S743 VanDerWaalsContact C-N 3.3Å; E741-S743 PolarHBondContact O-N 3.47Å; E741-S744 CarbonylContact O-C 3.54Å; E741-S744 WeakPolarHBondContact O-CB 3.19Å; E741-S744 PolarHBondContact O-N 3.48Å; E741-S744 VanDerWaalsContact O-N 3.16Å; E741-L745 WeakPolarHBondContact O-CB 3.33Å; E741-L745 PolarHBondContact O-N 3.42Å |
| 742 | Q | 81.6 | Confident | 80 | Confident | 118 Ų | 118 | 107.2 Ų | 107.2 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.4 | -39.5 | 177.3 | -85.8 | -80.4 | -17.3 | 0 | 0 | 112.3 | K738 E739 L745 R746 | K738-Q742 WeakPolarHBondContact O-CB 3.47Å; K738-Q742 WeakPolarHBondContact O-CG 3.34Å; K738-Q742 PolarHBondContact O-N 3.11Å; E739-Q742 PolarHBondContact O-N 3.06Å; Q742-L745 PolarHBondContact O-N 3.48Å; Q742-R746 WeakPolarHBondContact O-CB 3.35Å; Q742-R746 PolarHBondContact O-N 3.14Å |
| 743 | S | 79.2 | Confident | 79.9 | Confident | 61 Ų | 61 | 108.4 Ų | 108.4 | 43% | 0.427 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.9 | -36.6 | 175.8 | 56 | 0 | 0 | 0 | 0 | 112.2 | E739 Q740 E741 L745 R746 A747 | E739-S743 VanDerWaalsContact O-CB 3.32Å; E739-S743 WeakPolarHBondContact O-CB 3.47Å; E739-S743 PolarHBondContact O-N 3.19Å; E739-S743 PolarHBondContact O-OG 3.34Å; Q740-S743 VanDerWaalsContact CA-OG 3.23Å; Q740-S743 WeakPolarHBondContact CA-OG 3.01Å; Q740-S743 PolarHBondContact O-OG 3.43Å; E741-S743 VanDerWaalsContact C-N 3.3Å; E741-S743 PolarHBondContact O-N 3.47Å; S743-L745 VanDerWaalsContact C-N 3.33Å; S743-R746 PolarHBondContact O-N 3.38Å; S743-A747 WeakPolarHBondContact O-CB 3.49Å; S743-A747 PolarHBondContact O-N 3.36Å |
| 744 | S | 80.8 | Confident | 79.8 | Confident | 65 Ų | 65 | 110.5 Ų | 110.5 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.3 | -39.6 | 170.2 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | Q740 E741 A747 S748 | Q740-S744 WeakPolarHBondContact O-CB 3.46Å; Q740-S744 PolarHBondContact O-N 3.39Å; Q740-S744 PolarHBondContact O-OG 3.34Å; E741-S744 CarbonylContact O-C 3.54Å; E741-S744 WeakPolarHBondContact O-CB 3.19Å; E741-S744 PolarHBondContact O-N 3.48Å; E741-S744 VanDerWaalsContact O-N 3.16Å; S744-A747 PolarHBondContact O-N 3.01Å; S744-S748 PolarHBondContact O-N 2.94Å; S744-S748 PolarHBondContact O-OG 3.37Å; S744-S748 VanDerWaalsContact O-OG 3.08Å |
| 745 | L | 81.4 | Confident | 79.8 | Confident | 98 Ų | 98 | 109.8 Ų | 109.8 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.1 | -39.7 | 176.8 | -143.7 | 160.1 | 0 | 0 | 0 | 111.2 | E741 Q742 S743 S748 L749 | E741-L745 WeakPolarHBondContact O-CB 3.33Å; E741-L745 PolarHBondContact O-N 3.42Å; Q742-L745 PolarHBondContact O-N 3.48Å; S743-L745 VanDerWaalsContact C-N 3.33Å; L745-S748 PolarHBondContact O-N 3.36Å; L745-L749 HydrophobicContact CD2-CD1 3.77Å; L745-L749 HydrophobicContact CD2-CG 4.23Å; L745-L749 WeakPolarHBondContact O-CB 3.15Å; L745-L749 PolarHBondContact O-N 3.41Å |
| 746 | R | 80 | Confident | 79.7 | Confident | 181 Ų | 181 | 107.6 Ų | 107.6 | 68% | 0.683 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.7 | -44.5 | 169.8 | -99.5 | -173.1 | 178.4 | 140.1 | 0.5 | 111.6 | Q742 S743 S748 L749 E750 | Q742-R746 WeakPolarHBondContact O-CB 3.35Å; Q742-R746 PolarHBondContact O-N 3.14Å; S743-R746 PolarHBondContact O-N 3.38Å; R746-S748 VanDerWaalsContact C-N 3.34Å; R746-S748 PolarHBondContact O-N 3.41Å; R746-L749 CarbonylContact O-C 3.48Å; R746-L749 PolarHBondContact O-N 3.5Å; R746-E750 VanDerWaalsContact O-CB 3.28Å; R746-E750 WeakPolarHBondContact O-CB 3.38Å; R746-E750 PolarHBondContact O-N 3.28Å |
| 747 | A | 80.4 | Confident | 79.7 | Confident | 46 Ų | 46 | 108 Ų | 108 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.4 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S743 S744 E750 I751 | S743-A747 WeakPolarHBondContact O-CB 3.49Å; S743-A747 PolarHBondContact O-N 3.36Å; S744-A747 PolarHBondContact O-N 3.01Å; A747-E750 PolarHBondContact O-N 2.89Å; A747-I751 WeakPolarHBondContact O-CD1 3.42Å; A747-I751 VanDerWaalsContact O-CG1 3.27Å; A747-I751 WeakPolarHBondContact O-CG1 3.4Å; A747-I751 PolarHBondContact O-N 3.4Å |
| 748 | S | 79.4 | Confident | 79.7 | Confident | 65 Ų | 65 | 107.1 Ų | 107.1 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.1 | -44.8 | 173 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | S744 L745 R746 E750 I751 E752 | S744-S748 PolarHBondContact O-N 2.94Å; S744-S748 PolarHBondContact O-OG 3.37Å; S744-S748 VanDerWaalsContact O-OG 3.08Å; L745-S748 PolarHBondContact O-N 3.36Å; R746-S748 VanDerWaalsContact C-N 3.34Å; R746-S748 PolarHBondContact O-N 3.41Å; S748-E750 VanDerWaalsContact C-N 3.31Å; S748-E750 PolarHBondContact O-N 3.45Å; S748-I751 WeakPolarHBondContact O-CB 3.34Å; S748-I751 PolarHBondContact O-N 3.46Å; S748-E752 PolarHBondContact O-N 3.46Å |
| 749 | L | 77.9 | Confident | 79.4 | Confident | 83 Ų | 83 | 106.3 Ų | 106.3 | 44% | 0.435 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.6 | -32.7 | 175.5 | -82.9 | 167 | 0 | 0 | 0 | 112.5 | L745 R746 E752 L753 | L745-L749 HydrophobicContact CD2-CD1 3.77Å; L745-L749 HydrophobicContact CD2-CG 4.23Å; L745-L749 WeakPolarHBondContact O-CB 3.15Å; L745-L749 PolarHBondContact O-N 3.41Å; R746-L749 CarbonylContact O-C 3.48Å; R746-L749 PolarHBondContact O-N 3.5Å; L749-E752 PolarHBondContact O-N 3.45Å; L749-L753 WeakPolarHBondContact O-CB 3.49Å; L749-L753 VanDerWaalsContact O-CG 3.31Å; L749-L753 WeakPolarHBondContact O-CG 3.31Å; L749-L753 PolarHBondContact O-N 3.04Å |
| 750 | E | 79.9 | Confident | 79.1 | Confident | 139 Ų | 139 | 105.3 Ų | 105.3 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.1 | -34.6 | 176.2 | -169.4 | 156.8 | -158.3 | 0 | 0 | 111.3 | R746 A747 S748 S754 | R746-E750 VanDerWaalsContact O-CB 3.28Å; R746-E750 WeakPolarHBondContact O-CB 3.38Å; R746-E750 PolarHBondContact O-N 3.28Å; A747-E750 PolarHBondContact O-N 2.89Å; S748-E750 VanDerWaalsContact C-N 3.31Å; S748-E750 PolarHBondContact O-N 3.45Å; E750-S754 WeakPolarHBondContact O-CB 3.21Å; E750-S754 PolarHBondContact O-N 3Å |
| 751 | I | 78.9 | Confident | 79.1 | Confident | 109 Ų | 109 | 103.5 Ų | 103.5 | 56% | 0.559 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.6 | -45.7 | 167.9 | -68.5 | 162.2 | 0 | 0 | 0 | 110.4 | A747 S748 S754 N755 | A747-I751 WeakPolarHBondContact O-CD1 3.42Å; A747-I751 VanDerWaalsContact O-CG1 3.27Å; A747-I751 WeakPolarHBondContact O-CG1 3.4Å; A747-I751 PolarHBondContact O-N 3.4Å; S748-I751 WeakPolarHBondContact O-CB 3.34Å; S748-I751 PolarHBondContact O-N 3.46Å; I751-S754 WeakPolarHBondContact O-CB 3.48Å; I751-S754 PolarHBondContact O-N 3.34Å; I751-N755 PolarHBondContact O-N 3.03Å |
| 752 | E | 78.9 | Confident | 78.9 | Confident | 120 Ų | 120 | 100.3 Ų | 100.3 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 175.9 | -75.8 | -176.5 | -175.6 | 0 | 0 | 112.2 | S748 L749 S754 N755 L756 | S748-E752 PolarHBondContact O-N 3.46Å; L749-E752 PolarHBondContact O-N 3.45Å; E752-S754 VanDerWaalsContact C-N 3.3Å; E752-S754 PolarHBondContact O-N 3.14Å; E752-N755 WeakPolarHBondContact O-CB 3.04Å; E752-N755 PolarHBondContact O-N 3.38Å; E752-L756 WeakPolarHBondContact O-CB 3.45Å; E752-L756 PolarHBondContact O-N 3.36Å |
| 753 | L | 80.1 | Confident | 78.4 | Confident | 119 Ų | 119 | 98.9 Ų | 98.9 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.7 | -36.1 | 174.8 | -77.7 | 174.8 | 0 | 0 | 0 | 111.8 | L749 L756 K757 | L749-L753 WeakPolarHBondContact O-CB 3.49Å; L749-L753 VanDerWaalsContact O-CG 3.31Å; L749-L753 WeakPolarHBondContact O-CG 3.31Å; L749-L753 PolarHBondContact O-N 3.04Å; L753-L756 PolarHBondContact O-N 3.48Å; L753-K757 WeakPolarHBondContact O-CB 3.32Å; L753-K757 PolarHBondContact O-N 3.24Å |
| 754 | S | 79.9 | Confident | 78.4 | Confident | 78 Ų | 78 | 102.2 Ų | 102.2 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67 | -41 | 174.5 | -161.5 | 0 | 0 | 0 | 0 | 111.4 | E750 I751 E752 K757 A758 | E750-S754 WeakPolarHBondContact O-CB 3.21Å; E750-S754 PolarHBondContact O-N 3Å; I751-S754 WeakPolarHBondContact O-CB 3.48Å; I751-S754 PolarHBondContact O-N 3.34Å; E752-S754 VanDerWaalsContact C-N 3.3Å; E752-S754 PolarHBondContact O-N 3.14Å; S754-K757 WeakPolarHBondContact O-CB 3.31Å; S754-K757 PolarHBondContact O-N 2.75Å; S754-A758 PolarHBondContact O-N 3.34Å |
| 755 | N | 80.7 | Confident | 78 | Confident | 107 Ų | 107 | 106.6 Ų | 106.6 | 57% | 0.572 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.8 | -47.1 | 171.7 | -96 | -9.5 | 0 | 0 | 0 | 111.9 | I751 E752 K757 A758 E759 | I751-N755 PolarHBondContact O-N 3.03Å; E752-N755 WeakPolarHBondContact O-CB 3.04Å; E752-N755 PolarHBondContact O-N 3.38Å; N755-K757 PolarHBondContact O-N 3.48Å; N755-A758 CarbonylContact O-C 3.45Å; N755-A758 WeakPolarHBondContact O-CA 3.34Å; N755-A758 WeakPolarHBondContact O-CB 3.45Å; N755-A758 PolarHBondContact O-N 2.98Å; N755-A758 VanDerWaalsContact O-N 3.09Å; N755-E759 PolarHBondContact O-N 3.2Å |
| 756 | L | 74.5 | Confident | 77.6 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -34.6 | 176.8 | -133.6 | 96.1 | 0 | 0 | 0 | 111.2 | E752 L753 E759 L760 | E752-L756 WeakPolarHBondContact O-CB 3.45Å; E752-L756 PolarHBondContact O-N 3.36Å; L753-L756 PolarHBondContact O-N 3.48Å; L756-E759 CarbonylContact O-C 3.51Å; L756-E759 WeakPolarHBondContact O-CB 3.38Å; L756-E759 PolarHBondContact O-N 3.3Å; L756-L760 WeakPolarHBondContact O-CB 3.43Å; L756-L760 PolarHBondContact O-N 3.07Å |
| 757 | K | 82.4 | Confident | 77.2 | Confident | 144 Ų | 144 | 102.9 Ų | 102.9 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.7 | -36.5 | 174.7 | -171.4 | 178.5 | -176.4 | -179.2 | 0 | 111.8 | L753 S754 N755 L760 L761 | L753-K757 WeakPolarHBondContact O-CB 3.32Å; L753-K757 PolarHBondContact O-N 3.24Å; S754-K757 WeakPolarHBondContact O-CB 3.31Å; S754-K757 PolarHBondContact O-N 2.75Å; N755-K757 PolarHBondContact O-N 3.48Å; K757-L760 PolarHBondContact O-N 3.42Å; K757-L761 WeakPolarHBondContact O-CB 3.28Å; K757-L761 PolarHBondContact O-N 3.42Å |
| 758 | A | 77.3 | Confident | 76.9 | Confident | 54 Ų | 54 | 105.6 Ų | 105.6 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S754 N755 L761 S762 | S754-A758 PolarHBondContact O-N 3.34Å; N755-A758 CarbonylContact O-C 3.45Å; N755-A758 WeakPolarHBondContact O-CA 3.34Å; N755-A758 WeakPolarHBondContact O-CB 3.45Å; N755-A758 PolarHBondContact O-N 2.98Å; N755-A758 VanDerWaalsContact O-N 3.09Å; A758-L761 PolarHBondContact O-N 3.43Å; A758-S762 WeakPolarHBondContact O-CB 3.4Å; A758-S762 PolarHBondContact O-N 3.27Å |
| 759 | E | 74.3 | Confident | 76.5 | Confident | 123 Ų | 123 | 106.4 Ų | 106.4 | 58% | 0.575 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 171.5 | -74.4 | -176.4 | 171.4 | 0 | 0 | 112 | N755 L756 L761 S762 V763 | N755-E759 PolarHBondContact O-N 3.2Å; L756-E759 CarbonylContact O-C 3.51Å; L756-E759 WeakPolarHBondContact O-CB 3.38Å; L756-E759 PolarHBondContact O-N 3.3Å; E759-L761 VanDerWaalsContact C-N 3.3Å; E759-L761 PolarHBondContact O-N 3.4Å; E759-S762 CarbonylContact O-C 3.45Å; E759-S762 WeakPolarHBondContact O-CA 3.49Å; E759-S762 VanDerWaalsContact O-CB 3.3Å; E759-S762 WeakPolarHBondContact O-CB 3.45Å; E759-S762 PolarHBondContact O-N 3.08Å; E759-V763 WeakPolarHBondContact O-CG2 3.27Å; E759-V763 PolarHBondContact O-N 2.84Å |
| 760 | L | 74.3 | Confident | 76 | Confident | 120 Ų | 120 | 108.1 Ų | 108.1 | 63% | 0.628 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.3 | -37.1 | 176.2 | -129.6 | 166.5 | 0 | 0 | 0 | 111.2 | L756 K757 K764 | L756-L760 WeakPolarHBondContact O-CB 3.43Å; L756-L760 PolarHBondContact O-N 3.07Å; K757-L760 PolarHBondContact O-N 3.42Å; L760-K764 WeakPolarHBondContact O-CB 3.33Å; L760-K764 PolarHBondContact O-N 3.35Å |
| 761 | L | 80.5 | Confident | 75.5 | Confident | 103 Ų | 103 | 109.4 Ų | 109.4 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.1 | -36.7 | 171.2 | -84.2 | 169.9 | 0 | 0 | 0 | 112.2 | K757 A758 E759 K764 K765 | K757-L761 WeakPolarHBondContact O-CB 3.28Å; K757-L761 PolarHBondContact O-N 3.42Å; A758-L761 PolarHBondContact O-N 3.43Å; E759-L761 VanDerWaalsContact C-N 3.3Å; E759-L761 PolarHBondContact O-N 3.4Å; L761-K764 PolarHBondContact O-N 2.67Å; L761-K765 PolarHBondContact O-N 3.44Å |
| 762 | S | 75.3 | Confident | 75 | Confident | 70 Ų | 70 | 110.5 Ų | 110.5 | 49% | 0.49 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.9 | -48.9 | 174.7 | -169.2 | 0 | 0 | 0 | 0 | 111.4 | A758 E759 K764 K765 Q766 | A758-S762 WeakPolarHBondContact O-CB 3.4Å; A758-S762 PolarHBondContact O-N 3.27Å; E759-S762 CarbonylContact O-C 3.45Å; E759-S762 WeakPolarHBondContact O-CA 3.49Å; E759-S762 VanDerWaalsContact O-CB 3.3Å; E759-S762 WeakPolarHBondContact O-CB 3.45Å; E759-S762 PolarHBondContact O-N 3.08Å; S762-K764 VanDerWaalsContact C-N 3.3Å; S762-K764 PolarHBondContact O-N 3.41Å; S762-K765 WeakPolarHBondContact O-CB 3.45Å; S762-K765 PolarHBondContact O-N 3.43Å; S762-K765 VanDerWaalsContact O-N 3.11Å; S762-Q766 PolarHBondContact O-N 3.46Å |
| 763 | V | 70 | Confident | 74.3 | Confident | 87 Ų | 87 | 110.2 Ų | 110.2 | 53% | 0.527 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.8 | -37.6 | 174.5 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | E759 K765 Q766 L767 | E759-V763 WeakPolarHBondContact O-CG2 3.27Å; E759-V763 PolarHBondContact O-N 2.84Å; V763-K765 VanDerWaalsContact C-N 3.35Å; V763-K765 PolarHBondContact O-N 3.26Å; V763-Q766 CarbonylContact O-C 3.59Å; V763-Q766 WeakPolarHBondContact O-CB 3.43Å; V763-Q766 PolarHBondContact O-N 2.99Å; V763-Q766 VanDerWaalsContact O-N 3.16Å; V763-L767 WeakPolarHBondContact O-CB 3.48Å; V763-L767 PolarHBondContact O-N 3.18Å |
| 764 | K | 78.8 | Confident | 73.6 | Confident | 132 Ų | 132 | 112 Ų | 112 | 57% | 0.574 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.5 | -41.1 | 173.7 | -174.5 | 178 | -179.6 | -177.3 | 0 | 111.6 | L760 L761 S762 Q766 L767 E768 | L760-K764 WeakPolarHBondContact O-CB 3.33Å; L760-K764 PolarHBondContact O-N 3.35Å; L761-K764 PolarHBondContact O-N 2.67Å; S762-K764 VanDerWaalsContact C-N 3.3Å; S762-K764 PolarHBondContact O-N 3.41Å; K764-Q766 VanDerWaalsContact C-N 3.35Å; K764-L767 PolarHBondContact O-N 3.23Å; K764-E768 WeakPolarHBondContact O-CB 3.43Å; K764-E768 PolarHBondContact O-N 3.08Å |
| 765 | K | 73.9 | Confident | 72.9 | Confident | 156 Ų | 156 | 113 Ų | 113 | 68% | 0.678 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.3 | -41.7 | 171.1 | -80.6 | -177.8 | 175 | -177.6 | 0 | 111.5 | L761 S762 V763 L767 E768 I769 | L761-K765 PolarHBondContact O-N 3.44Å; S762-K765 WeakPolarHBondContact O-CB 3.45Å; S762-K765 PolarHBondContact O-N 3.43Å; S762-K765 VanDerWaalsContact O-N 3.11Å; V763-K765 VanDerWaalsContact C-N 3.35Å; V763-K765 PolarHBondContact O-N 3.26Å; K765-L767 VanDerWaalsContact C-N 3.31Å; K765-L767 PolarHBondContact O-N 3.49Å; K765-E768 WeakPolarHBondContact O-CB 3.49Å; K765-E768 PolarHBondContact O-N 3.34Å; K765-I769 VanDerWaalsContact O-CG1 3.27Å; K765-I769 WeakPolarHBondContact O-CG1 3.48Å; K765-I769 PolarHBondContact O-N 2.92Å |
| 766 | Q | 72.4 | Confident | 72.2 | Confident | 120 Ų | 120 | 112.5 Ų | 112.5 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 176.8 | -154.3 | 73.1 | 27.3 | 0 | 0 | 111.4 | S762 V763 K764 I769 E770 | S762-Q766 PolarHBondContact O-N 3.46Å; V763-Q766 CarbonylContact O-C 3.59Å; V763-Q766 WeakPolarHBondContact O-CB 3.43Å; V763-Q766 PolarHBondContact O-N 2.99Å; V763-Q766 VanDerWaalsContact O-N 3.16Å; K764-Q766 VanDerWaalsContact C-N 3.35Å; Q766-I769 PolarHBondContact O-N 3.39Å; Q766-E770 VanDerWaalsContact O-CB 3.27Å; Q766-E770 WeakPolarHBondContact O-CB 3.42Å; Q766-E770 PolarHBondContact O-N 2.89Å |
| 767 | L | 71.8 | Confident | 71.5 | Confident | 81 Ų | 81 | 112.3 Ų | 112.3 | 42% | 0.424 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -74.7 | -27.2 | 179.4 | -149 | 149 | 0 | 0 | 0 | 111.9 | V763 K764 K765 R771 | V763-L767 WeakPolarHBondContact O-CB 3.48Å; V763-L767 PolarHBondContact O-N 3.18Å; K764-L767 PolarHBondContact O-N 3.23Å; K765-L767 VanDerWaalsContact C-N 3.31Å; K765-L767 PolarHBondContact O-N 3.49Å; L767-R771 HydrophobicContact CD2-CG 4.42Å; L767-R771 WeakPolarHBondContact O-CB 3.46Å; L767-R771 WeakPolarHBondContact O-CG 3.5Å; L767-R771 PolarHBondContact O-N 3.19Å |
| 768 | E | 73.4 | Confident | 70.5 | Confident | 104 Ų | 104 | 112.1 Ų | 112.1 | 49% | 0.486 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.3 | -45.5 | 169.2 | -160.7 | 67.9 | -127.8 | 0 | 0 | 110.8 | K764 K765 E770 R771 E772 | K764-E768 WeakPolarHBondContact O-CB 3.43Å; K764-E768 PolarHBondContact O-N 3.08Å; K765-E768 WeakPolarHBondContact O-CB 3.49Å; K765-E768 PolarHBondContact O-N 3.34Å; E768-E770 VanDerWaalsContact C-N 3.31Å; E768-E770 PolarHBondContact O-N 3.12Å; E768-R771 WeakPolarHBondContact O-CB 3.49Å; E768-R771 PolarHBondContact O-N 3.12Å; E768-E772 PolarHBondContact O-N 3.17Å |
| 769 | I | 71.7 | Confident | 69.6 | Low | 81 Ų | 81 | 117 Ų | 117 | 42% | 0.415 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 172.5 | -64.2 | 161.9 | 0 | 0 | 0 | 110.1 | K765 Q766 R771 E772 E773 | K765-I769 VanDerWaalsContact O-CG1 3.27Å; K765-I769 WeakPolarHBondContact O-CG1 3.48Å; K765-I769 PolarHBondContact O-N 2.92Å; Q766-I769 PolarHBondContact O-N 3.39Å; I769-R771 VanDerWaalsContact C-N 3.32Å; I769-R771 PolarHBondContact O-N 3.25Å; I769-E772 PolarHBondContact O-N 3.46Å; I769-E773 WeakPolarHBondContact O-CB 3.33Å; I769-E773 PolarHBondContact O-N 3.45Å |
| 770 | E | 66.5 | Low | 68.6 | Low | 120 Ų | 120 | 115.1 Ų | 115.1 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.5 | -28.4 | 179.2 | -156.3 | -179.9 | -157.3 | 0 | 0 | 111.6 | Q766 E768 K774 | Q766-E770 VanDerWaalsContact O-CB 3.27Å; Q766-E770 WeakPolarHBondContact O-CB 3.42Å; Q766-E770 PolarHBondContact O-N 2.89Å; E768-E770 VanDerWaalsContact C-N 3.31Å; E768-E770 PolarHBondContact O-N 3.12Å; E770-K774 WeakPolarHBondContact O-CB 3.41Å; E770-K774 PolarHBondContact O-N 3.02Å |
| 771 | R | 70 | Confident | 67.4 | Low | 166 Ų | 166 | 112.6 Ų | 112.6 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -43.8 | 168.4 | -88.7 | -173.8 | -165.6 | -132.5 | 4.7 | 111.5 | L767 E768 I769 E773 K774 E775 | L767-R771 HydrophobicContact CD2-CG 4.42Å; L767-R771 WeakPolarHBondContact O-CB 3.46Å; L767-R771 WeakPolarHBondContact O-CG 3.5Å; L767-R771 PolarHBondContact O-N 3.19Å; E768-R771 WeakPolarHBondContact O-CB 3.49Å; E768-R771 PolarHBondContact O-N 3.12Å; I769-R771 VanDerWaalsContact C-N 3.32Å; I769-R771 PolarHBondContact O-N 3.25Å; R771-E773 VanDerWaalsContact C-N 3.32Å; R771-K774 PolarHBondContact O-N 3.34Å; R771-E775 WeakPolarHBondContact O-CB 3.46Å; R771-E775 PolarHBondContact O-N 2.93Å |
| 772 | E | 68.4 | Low | 66 | Low | 132 Ų | 132 | 116.4 Ų | 116.4 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 174.3 | -75.8 | -174.1 | 158.5 | 0 | 0 | 111.2 | E768 I769 E775 K776 | E768-E772 PolarHBondContact O-N 3.17Å; I769-E772 PolarHBondContact O-N 3.46Å; E772-E775 PolarHBondContact O-N 2.74Å; E772-K776 WeakPolarHBondContact O-CB 3.49Å; E772-K776 PolarHBondContact O-N 3.17Å |
| 773 | E | 64.1 | Low | 64.2 | Low | 113 Ų | 113 | 120.5 Ų | 120.5 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.8 | -37 | 172.8 | -79.9 | -165.1 | 151.1 | 0 | 0 | 112.2 | I769 R771 K776 L777 | I769-E773 WeakPolarHBondContact O-CB 3.33Å; I769-E773 PolarHBondContact O-N 3.45Å; R771-E773 VanDerWaalsContact C-N 3.32Å; E773-K776 CarbonylContact O-C 3.46Å; E773-K776 WeakPolarHBondContact O-CB 3.38Å; E773-K776 PolarHBondContact O-N 2.94Å; E773-L777 VanDerWaalsContact O-CB 3.26Å; E773-L777 WeakPolarHBondContact O-CB 3.34Å; E773-L777 WeakPolarHBondContact O-CG 3.48Å; E773-L777 PolarHBondContact O-N 3.29Å |
| 774 | K | 66.3 | Low | 62.3 | Low | 158 Ų | 158 | 121.9 Ų | 121.9 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.7 | -29.5 | 176.3 | -161.6 | 173.2 | -171.9 | 172.9 | 0 | 111.9 | E770 R771 K778 | E770-K774 WeakPolarHBondContact O-CB 3.41Å; E770-K774 PolarHBondContact O-N 3.02Å; R771-K774 PolarHBondContact O-N 3.34Å; K774-K778 WeakPolarHBondContact O-CB 3.46Å; K774-K778 PolarHBondContact O-N 3.27Å |
| 775 | E | 65 | Low | 60 | Low | 97 Ų | 97 | 122 Ų | 122 | 45% | 0.453 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.8 | -38.9 | 167.2 | -107.1 | -66 | 140.5 | 0 | 0 | 111.4 | R771 E772 K778 R779 | R771-E775 WeakPolarHBondContact O-CB 3.46Å; R771-E775 PolarHBondContact O-N 2.93Å; E772-E775 PolarHBondContact O-N 2.74Å; E775-K778 PolarHBondContact O-N 3.09Å; E775-R779 PolarHBondContact O-N 3.03Å |
| 776 | K | 65.9 | Low | 57.9 | Low | 98 Ų | 98 | 118.5 Ų | 118.5 | 43% | 0.426 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.4 | -41.7 | 172.5 | -166.5 | 174.6 | -179.2 | -73.6 | 0 | 111.8 | E772 E773 K778 R779 E780 | E772-K776 WeakPolarHBondContact O-CB 3.49Å; E772-K776 PolarHBondContact O-N 3.17Å; E773-K776 CarbonylContact O-C 3.46Å; E773-K776 WeakPolarHBondContact O-CB 3.38Å; E773-K776 PolarHBondContact O-N 2.94Å; K776-K778 VanDerWaalsContact C-N 3.32Å; K776-K778 PolarHBondContact O-N 2.97Å; K776-R779 CarbonylContact O-C 3.56Å; K776-R779 WeakPolarHBondContact O-CA 3.37Å; K776-R779 WeakPolarHBondContact O-CB 3.19Å; K776-R779 PolarHBondContact O-N 2.86Å; K776-R779 VanDerWaalsContact O-N 3.16Å; K776-E780 IonicContact NZ-OE1 3.03Å; K776-E780 PolarHBondContact NZ-OE1 3.46Å; K776-E780 IonicContact NZ-OE2 3.29Å; K776-E780 WeakPolarHBondContact O-CB 3.37Å; K776-E780 PolarHBondContact O-N 3.22Å |
| 777 | L | 60.1 | Low | 55.9 | Low | 100 Ų | 100 | 119.4 Ų | 119.4 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.6 | -19.7 | 173.5 | -81.4 | 160.6 | 0 | 0 | 0 | 112.5 | E773 A781 | E773-L777 VanDerWaalsContact O-CB 3.26Å; E773-L777 WeakPolarHBondContact O-CB 3.34Å; E773-L777 WeakPolarHBondContact O-CG 3.48Å; E773-L777 PolarHBondContact O-N 3.29Å; L777-A781 WeakPolarHBondContact O-CA 3.19Å; L777-A781 WeakPolarHBondContact O-CB 3.46Å; L777-A781 PolarHBondContact O-N 2.82Å |
| 778 | K | 61.1 | Low | 53.7 | Low | 139 Ų | 139 | 122 Ų | 122 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.5 | -26 | 168.4 | -162.7 | 178.8 | -177.9 | -170.4 | 0 | 111.4 | K774 E775 K776 | K774-K778 WeakPolarHBondContact O-CB 3.46Å; K774-K778 PolarHBondContact O-N 3.27Å; E775-K778 PolarHBondContact O-N 3.09Å; K776-K778 VanDerWaalsContact C-N 3.32Å; K776-K778 PolarHBondContact O-N 2.97Å |
| 779 | R | 57.7 | Low | 51.4 | Low | 156 Ų | 156 | 125.2 Ų | 125.2 | 59% | 0.589 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.1 | -42 | 165.2 | -77.8 | -179.3 | -87 | 126.1 | -7.1 | 111.6 | E775 K776 | E775-R779 PolarHBondContact O-N 3.03Å; K776-R779 CarbonylContact O-C 3.56Å; K776-R779 WeakPolarHBondContact O-CA 3.37Å; K776-R779 WeakPolarHBondContact O-CB 3.19Å; K776-R779 PolarHBondContact O-N 2.86Å; K776-R779 VanDerWaalsContact O-N 3.16Å |
| 780 | E | 53.9 | Low | 49.2 | Very low | 84 Ų | 84 | 128 Ų | 128 | 39% | 0.393 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -84.3 | -22.6 | -178.9 | -72.4 | 169.3 | -174.3 | 0 | 0 | 113.6 | K776 K782 E783 N784 | K776-E780 IonicContact NZ-OE1 3.03Å; K776-E780 PolarHBondContact NZ-OE1 3.46Å; K776-E780 IonicContact NZ-OE2 3.29Å; K776-E780 WeakPolarHBondContact O-CB 3.37Å; K776-E780 PolarHBondContact O-N 3.22Å; E780-K782 VanDerWaalsContact C-N 3.27Å; E780-K782 PolarHBondContact O-N 3.02Å; E780-E783 CarbonylContact O-C 2.76Å; E780-E783 WeakPolarHBondContact O-CA 3.35Å; E780-E783 PolarHBondContact O-N 3.46Å; E780-N784 PolarHBondContact O-N 3.48Å |
| 781 | A | 47.5 | Very low | 47.4 | Very low | 68 Ų | 68 | 129.8 Ų | 129.8 | 56% | 0.562 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -79.5 | -11.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L777 | L777-A781 WeakPolarHBondContact O-CA 3.19Å; L777-A781 WeakPolarHBondContact O-CB 3.46Å; L777-A781 PolarHBondContact O-N 2.82Å |
| 782 | K | 51.8 | Low | 45.2 | Very low | 183 Ų | 183 | 131 Ų | 131 | 80% | 0.796 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -79 | -7.4 | 158.5 | -75.7 | -174.2 | 175.2 | -175.5 | 0 | 112.6 | E780 | E780-K782 VanDerWaalsContact C-N 3.27Å; E780-K782 PolarHBondContact O-N 3.02Å |
| 783 | E | 38.4 | Very low | 43.1 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -125.4 | 44.6 | 169.2 | -162.7 | 175.2 | -163.5 | 0 | 0 | 108.4 | E780 | E780-E783 CarbonylContact O-C 2.76Å; E780-E783 WeakPolarHBondContact O-CA 3.35Å; E780-E783 PolarHBondContact O-N 3.46Å |
| 784 | N | 30 | Very low | 41.5 | Very low | 117 Ų | 117 | 135 Ų | 135 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | 32.8 | 115.9 | 101.4 | -100.1 | -7.1 | 0 | 0 | 0 | 111.3 | E780 | E780-N784 PolarHBondContact O-N 3.48Š| |||
| 785 | T | 30.6 | Very low | 39.5 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | trans | 78.5 | 58.3 | 141.5 | -11.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 786 | A | 28.4 | Very low | 37.7 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 69% | 0.686 | 69% | 0.689 | S | S | * | * | trans | -160.2 | 86.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 787 | T | 32 | Very low | 35.8 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | trans | 68.9 | 145.7 | 140.5 | 65.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 788 | L | 24.6 | Very low | 34.2 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 71% | 0.707 | 71% | 0.714 | S | S | * | * | cis | 172.7 | 134.2 | -17.2 | 177.5 | 66.2 | 0 | 0 | 0 | 104.1 | ||||
| 789 | K | 25.5 | Very low | 32.5 | Very low | 171 Ų | 171 | 144 Ų | 144 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | 75.3 | 129.3 | 151.9 | -86.4 | 175.4 | -170.3 | -172.7 | 0 | 122.3 | ||||
| 790 | E | 26.3 | Very low | 30.9 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 65% | 0.654 | 73% | 0.733 | S | S | * | * | 125.9 | 122.8 | 120.8 | -93.7 | -170.2 | 172.4 | 0 | 0 | 120.7 | |||||
| 791 | K | 28 | Very low | 29.5 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 68% | 0.683 | 75% | 0.751 | S | S | * | * | trans | 65.4 | 114.6 | 137 | -69.9 | 167.8 | -179.4 | 158.3 | 0 | 120.7 | ||||
| 792 | K | 24.4 | Very low | 28.6 | Very low | 192 Ų | 192 | 152.1 Ų | 152.1 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | 64.6 | 119.3 | 88.6 | -82.8 | -163.5 | 177.9 | -175.2 | 0 | 115.2 | |||||
| 793 | D | 23.6 | Very low | 27.4 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | 165.9 | 149.6 | 124 | -93.3 | -9 | 0 | 0 | 0 | 117.6 | |||||
| 794 | K | 29.8 | Very low | 27.4 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | trans | 95.9 | 145.8 | 146.6 | -71.1 | 151.4 | -165.5 | -179.8 | 0 | 122.2 | ||||
| 795 | K | 25.3 | Very low | 27.5 | Very low | 188 Ų | 188 | 150 Ų | 150 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | -140.4 | 139.7 | -151.6 | 158.1 | -173.3 | -180 | 179.2 | 0 | 107.2 | ||||
| 796 | T | 27.7 | Very low | 27.5 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 87% | 0.871 | 76% | 0.764 | S | S | * | * | trans | -158.6 | 142.2 | 159.3 | -34.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 797 | Q | 25.4 | Very low | 27.5 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -136.5 | 136.9 | 179.5 | 164 | -176.6 | 12.8 | 0 | 0 | 106.3 | ||||
| 798 | T | 26.6 | Very low | 27.5 | Very low | 118 Ų | 118 | 156.6 Ų | 156.6 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | -170.5 | 111.8 | 167.3 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 799 | F | 24.8 | Very low | 27.7 | Very low | 175 Ų | 175 | 159.4 Ų | 159.4 | 77% | 0.768 | 76% | 0.763 | S | S | * | * | 73.7 | 116.9 | 93.9 | -68.5 | -75.7 | 0 | 0 | 0 | 118.4 | |||||
| 800 | L | 24.3 | Very low | 27.9 | Very low | 159 Ų | 159 | 159 Ų | 159 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | 39.8 | 123.6 | 123.6 | -161.2 | 89.9 | 0 | 0 | 0 | 120.7 | |||||
| 801 | L | 24.6 | Very low | 27.9 | Very low | 146 Ų | 146 | 159.2 Ų | 159.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | 147.7 | 147.7 | 120.9 | -168.7 | 62.7 | 0 | 0 | 0 | 112.7 | |||||
| 802 | E | 28.7 | Very low | 28 | Very low | 174 Ų | 174 | 156.7 Ų | 156.7 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | 115.4 | 117.5 | 145.2 | -132.1 | 161.1 | -150.7 | 0 | 0 | 119.3 | ||||
| 803 | T | 27.6 | Very low | 28.4 | Very low | 126 Ų | 126 | 156.8 Ų | 156.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -76.6 | -157.7 | 169.1 | 39.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 804 | P | 38.3 | Very low | 28.5 | Very low | 108 Ų | 108 | 154.3 Ų | 154.3 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | -129.6 | 153.4 | -68.6 | 36.3 | -20.1 | 0 | 0 | 0 | 112.8 | |||||
| 805 | E | 31.9 | Very low | 28.4 | Very low | 176 Ų | 176 | 151.5 Ų | 151.5 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -145 | 114.9 | 164.5 | -77.3 | -161.6 | 156.3 | 0 | 0 | 110 | ||||
| 806 | I | 30 | Very low | 29 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | 77.6 | 126.5 | 91.9 | -72 | 169.1 | 0 | 0 | 0 | 109.6 | |||||
| 807 | Y | 28.3 | Very low | 29.1 | Very low | 163 Ų | 163 | 146 Ų | 146 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | cis | -174.1 | 133.5 | 30.6 | -147 | -125.3 | 0 | 0 | 0 | 110.2 | ||||
| 808 | W | 32.9 | Very low | 29.1 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | 86.5 | 112.1 | 128.1 | -69.9 | 34.9 | 0 | 0 | 0 | 124.5 | |||||
| 809 | K | 28.8 | Very low | 29.3 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -52.9 | 157.3 | 138 | -87.4 | 172.4 | 162.5 | 178.7 | 0 | 113.1 | ||||
| 810 | L | 29.7 | Very low | 29.8 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | -176.4 | 132.6 | 113.5 | -162.4 | 63 | 0 | 0 | 0 | 113.2 | |||||
| 811 | D | 26.1 | Very low | 29.9 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -56.4 | 159.2 | 163 | -83.8 | -58.1 | 0 | 0 | 0 | 114.6 | ||||
| 812 | S | 30.4 | Very low | 30.1 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | trans | -178.3 | 133.6 | 134.6 | 26.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 813 | K | 32.1 | Very low | 30.1 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | 75.8 | 122.2 | 139.1 | -55.8 | -96.8 | 179.8 | 171 | 0 | 117.6 | ||||
| 814 | A | 24.7 | Very low | 30.3 | Very low | 81 Ų | 81 | 147.7 Ų | 147.7 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | 70.8 | 115.3 | 25.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 815 | V | 27.7 | Very low | 29.8 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | 77.4 | 155.3 | 151 | 176.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 816 | P | 38.1 | Very low | 29.7 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | cis | -141.5 | -176.3 | 7.9 | 28.6 | -2.5 | 0 | 0 | 0 | 117.4 | ||||
| 817 | S | 29.4 | Very low | 29.8 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 120.2 | 118 | 123.8 | -82.1 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 818 | Q | 26.4 | Very low | 29.7 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -46.6 | 153.7 | 153.9 | -63.9 | 166.4 | -5.4 | 0 | 0 | 113.3 | ||||
| 819 | T | 30.2 | Very low | 29.8 | Very low | 133 Ų | 133 | 145 Ų | 145 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -167 | 137.4 | 154 | 5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 820 | V | 35.4 | Very low | 30 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | 75.6 | 114.2 | 150.1 | -173.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 821 | S | 27.6 | Very low | 30 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | 95 | 127 | 33.7 | -169.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 822 | R | 27.7 | Very low | 30.3 | Very low | 210 Ų | 210 | 137.5 Ų | 137.5 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | 72.4 | 119.4 | 144.9 | -110.9 | -176.1 | -177.5 | 106.3 | 1.2 | 121.6 | ||||
| 823 | N | 28.5 | Very low | 30.6 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | 145.6 | 116.3 | 114.9 | -73.1 | -32 | 0 | 0 | 0 | 111.5 | |||||
| 824 | F | 31.8 | Very low | 30.5 | Very low | 217 Ų | 217 | 140.2 Ų | 140.2 | 95% | 0.952 | 79% | 0.792 | S | S | * | * | trans | -176 | 107.8 | 130.1 | -85.4 | -62 | 0 | 0 | 0 | 107.8 | ||||
| 825 | T | 28.9 | Very low | 31.2 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -116.9 | 134.4 | 170.6 | 35.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 826 | S | 29.8 | Very low | 31.3 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -161.2 | 119.3 | 158.4 | -161.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 827 | V | 30.3 | Very low | 30.9 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | 79.1 | 102.6 | 146.3 | -177.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 828 | D | 27.8 | Very low | 31.1 | Very low | 140 Ų | 140 | 156.8 Ų | 156.8 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | trans | -95.5 | 177.8 | 158.5 | -174.2 | 11.9 | 0 | 0 | 0 | 109.9 | ||||
| 829 | H | 33.8 | Very low | 31.3 | Very low | 186 Ų | 186 | 155.3 Ų | 155.3 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | 104.3 | 128.9 | -179.1 | -61.4 | 66 | 0 | 0 | 0 | 113.5 | ||||
| 830 | G | 32.8 | Very low | 31.2 | Very low | 76 Ų | 76 | 160.5 Ų | 160.5 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | cis | 169.9 | 154.1 | 5.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 831 | I | 31.1 | Very low | 30.8 | Very low | 170 Ų | 170 | 160.4 Ų | 160.4 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -94.3 | 158.1 | -167.8 | -69.9 | 163.4 | 0 | 0 | 0 | 112.7 | ||||
| 832 | S | 31.7 | Very low | 30.9 | Very low | 100 Ų | 100 | 161.6 Ų | 161.6 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | trans | 106.8 | 118.2 | 153.4 | 80 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 833 | K | 35.8 | Very low | 30.9 | Very low | 206 Ų | 206 | 155.2 Ų | 155.2 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | -175.9 | 136.8 | 98.8 | -92 | -166.7 | -177.9 | -178.1 | 0 | 111.8 | |||||
| 834 | D | 31.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 158.4 Ų | 158.4 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -96.1 | 136.3 | -178.5 | 178.3 | 11.9 | 0 | 0 | 0 | 110.2 | ||||
| 835 | K | 39.6 | Very low | 31.3 | Very low | 206 Ų | 206 | 156.4 Ų | 156.4 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | -154.9 | 87.5 | 163.5 | -81.8 | -166.2 | -179.5 | 177.3 | 0 | 110.8 | ||||
| 836 | R | 30.2 | Very low | 31.4 | Very low | 216 Ų | 216 | 155.7 Ų | 155.7 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | 51.1 | 105.5 | 114.6 | -149.5 | 173.9 | -148.2 | -169.7 | 4.9 | 120.5 | |||||
| 837 | D | 29.3 | Very low | 31.5 | Very low | 140 Ų | 140 | 157.8 Ų | 157.8 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | 26.1 | 119.3 | 128.7 | -51.7 | -34.1 | 0 | 0 | 0 | 121.5 | |||||
| 838 | Y | 33.4 | Very low | 31.6 | Very low | 220 Ų | 220 | 155.9 Ų | 155.9 | 86% | 0.863 | 81% | 0.809 | S | S | * | * | trans | -150.6 | 131.5 | 136.3 | -86.3 | -74 | 0 | 0 | 0 | 111.1 | ||||
| 839 | L | 30.9 | Very low | 31.8 | Very low | 154 Ų | 154 | 155.5 Ų | 155.5 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | 63.8 | 105.8 | 160.1 | -79.6 | 82.5 | 0 | 0 | 0 | 119.6 | ||||
| 840 | W | 27.3 | Very low | 31.8 | Very low | 242 Ų | 242 | 151.6 Ų | 151.6 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | 72.7 | 90.6 | 74.6 | -97.4 | 39.1 | 0 | 0 | 0 | 116.8 | |||||
| 841 | T | 26.5 | Very low | 31.9 | Very low | 127 Ų | 127 | 156 Ų | 156 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | 14.9 | 130 | 130.9 | -13.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 842 | S | 29.8 | Very low | 31.9 | Very low | 116 Ų | 116 | 153 Ų | 153 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | -170 | 97.9 | 129.8 | -168.3 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 843 | A | 28.9 | Very low | 31.7 | Very low | 77 Ų | 77 | 157.6 Ų | 157.6 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | 76.5 | 123.6 | 89.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 844 | K | 33.1 | Very low | 31.7 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | 90.4 | 81.7 | 163.1 | -55.2 | -179.7 | -178.6 | 178.8 | 0 | 117.8 | ||||
| 845 | N | 33.8 | Very low | 31.9 | Very low | 176 Ų | 176 | 156.4 Ų | 156.4 | 94% | 0.941 | 81% | 0.808 | S | S | * | * | -136.9 | 117.3 | 121.7 | -98.3 | -16.4 | 0 | 0 | 0 | 108.1 | |||||
| 846 | T | 32.3 | Very low | 31.6 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -93.9 | 144.7 | -173.8 | 35 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 847 | L | 31 | Very low | 31.8 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | 116 | 103.7 | 140.6 | -141.9 | 66.6 | 0 | 0 | 0 | 116.3 | ||||
| 848 | S | 32.7 | Very low | 32.1 | Very low | 97 Ų | 97 | 149.9 Ų | 149.9 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | 90.3 | 101.7 | 130.7 | -77.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 849 | T | 33.2 | Very low | 32 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | 101.6 | 133.3 | 117.5 | -45.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 850 | P | 32.7 | Very low | 32.2 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | -113.6 | 137.4 | -155.2 | 36.6 | -20.7 | 0 | 0 | 0 | 113.4 | ||||
| 851 | L | 34.9 | Very low | 32.7 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -171.2 | 124.5 | 130.9 | -136.4 | 74.6 | 0 | 0 | 0 | 109.8 | ||||
| 852 | P | 30.9 | Very low | 32.9 | Very low | 105 Ų | 105 | 142 Ų | 142 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | trans | -91.5 | 157.6 | 174.1 | 35.1 | -30.1 | 0 | 0 | 0 | 110.9 | ||||
| 853 | K | 28.9 | Very low | 33.3 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | 88.4 | 102.3 | 173 | -60.2 | 165.1 | 171.1 | 172.8 | 0 | 115.3 | ||||
| 854 | A | 34.3 | Very low | 33.5 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | -162.1 | 132.7 | 109.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 855 | Y | 35.7 | Very low | 33.4 | Very low | 227 Ų | 227 | 146.6 Ų | 146.6 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -70 | 159.6 | -177 | -85 | -100.1 | 0 | 0 | 0 | 113.1 | ||||
| 856 | T | 33.1 | Very low | 33.3 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -27.8 | 131.4 | 171.1 | -51.2 | 0 | 0 | 0 | 0 | 115.8 | K858 | T856-K858 PolarHBondContact O-N 2.95Š| ||
| 857 | V | 34.8 | Very low | 33.3 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -58.4 | 115.6 | 171.1 | 169.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 858 | K | 35.4 | Very low | 33.4 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | 52.4 | 91.2 | 129.2 | -56.4 | -175.9 | -179 | -178.3 | 0 | 116.5 | T856 | T856-K858 PolarHBondContact O-N 2.95Š| |||
| 859 | T | 32.7 | Very low | 33.6 | Very low | 134 Ų | 134 | 152.2 Ų | 152.2 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | 87.6 | 147.3 | 90.3 | 36 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 860 | P | 33.3 | Very low | 33.6 | Very low | 111 Ų | 111 | 153.6 Ų | 153.6 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -106.1 | 177.7 | -147.7 | 26.8 | -6.4 | 0 | 0 | 0 | 111.3 | ||||
| 861 | T | 39.8 | Very low | 34 | Very low | 127 Ų | 127 | 153 Ų | 153 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | 174 | 93.3 | 137.4 | -71 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 862 | K | 29.1 | Very low | 33.9 | Very low | 205 Ų | 205 | 153 Ų | 153 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | S | Bend | -124.5 | 143.1 | 119.5 | -94.9 | -169.8 | -179.9 | 179.7 | 0 | 107.6 | |||
| 863 | P | 39.7 | Very low | 34.3 | Very low | 110 Ų | 110 | 154.6 Ų | 154.6 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | -91.9 | 148.8 | -158.3 | 1 | 21.2 | 0 | 0 | 0 | 110.9 | L865 | P863-L865 PolarHBondContact O-N 3.31Š| ||
| 864 | K | 31.4 | Very low | 34.5 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -65.1 | 120.3 | 165.3 | -68 | 174 | 177 | 177.9 | 0 | 108.8 | Q866 | K864-Q866 VanDerWaalsContact C-N 3.31Å; K864-Q866 PolarHBondContact O-N 3.48Å | ||
| 865 | L | 32.1 | Very low | 34.6 | Very low | 189 Ų | 189 | 153 Ų | 153 | 99% | 0.99 | 78% | 0.778 | S | S | * | * | trans | -75 | 95.5 | 147.2 | -90.4 | 160 | 0 | 0 | 0 | 106 | P863 | P863-L865 PolarHBondContact O-N 3.31Š| ||
| 866 | Q | 31.9 | Very low | 34.3 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 62% | 0.617 | 77% | 0.771 | S | S | * | * | trans | -93.8 | 131.7 | 171.9 | -178.8 | 168.5 | -13.7 | 0 | 0 | 109.1 | K864 | K864-Q866 VanDerWaalsContact C-N 3.31Å; K864-Q866 PolarHBondContact O-N 3.48Å | ||
| 867 | Q | 31.5 | Very low | 34.5 | Very low | 162 Ų | 162 | 150.9 Ų | 150.9 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | 59.6 | 119.2 | 157.1 | -81 | 170.2 | -26.5 | 0 | 0 | 118.6 | ||||
| 868 | R | 33.3 | Very low | 34.4 | Very low | 205 Ų | 205 | 149.5 Ų | 149.5 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | -140.7 | 97.6 | 135.8 | -138.6 | -179 | -167.7 | -180 | 7.7 | 109.4 | ||||
| 869 | E | 36 | Very low | 34.6 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 160.1 | 143.7 | -85.7 | -175.9 | 159.1 | 0 | 0 | 108.9 | ||
| 870 | N | 34.9 | Very low | 34.7 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 147 | -152.1 | -69.5 | -73.1 | 0 | 0 | 0 | 118.2 | ||
| 871 | L | 40.1 | Very low | 34.8 | Very low | 91 Ų | 91 | 156 Ų | 156 | 48% | 0.476 | 77% | 0.767 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 136 | 169.1 | -71.5 | 147.6 | 0 | 0 | 0 | 111.8 | I873 | L871-I873 HydrophobicContact CD2-CD1 3.79Å; L871-I873 HydrophobicContact CD2-CG1 4.13Å |
| 872 | N | 32.8 | Very low | 34.7 | Very low | 171 Ų | 171 | 161.1 Ų | 161.1 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | trans | -131.6 | 120.3 | 142 | -89.4 | -38.9 | 0 | 0 | 0 | 107.1 | ||||
| 873 | I | 39.9 | Very low | 35.1 | Very low | 138 Ų | 138 | 161.1 Ų | 161.1 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | trans | -114.4 | 138.2 | 175.8 | -64 | 164.1 | 0 | 0 | 0 | 106.5 | L871 | L871-I873 HydrophobicContact CD2-CD1 3.79Å; L871-I873 HydrophobicContact CD2-CG1 4.13Å | ||
| 874 | P | 33.4 | Very low | 35 | Very low | 107 Ų | 107 | 164.1 Ų | 164.1 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | -146.8 | 161.2 | 125.3 | 32.8 | -14.1 | 0 | 0 | 0 | 115.5 | |||||
| 875 | I | 34.9 | Very low | 35.1 | Very low | 159 Ų | 159 | 159.9 Ų | 159.9 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | 89.3 | 137.7 | 165 | -48.5 | 159.6 | 0 | 0 | 0 | 115.3 | ||||
| 876 | E | 31.1 | Very low | 35.4 | Very low | 159 Ų | 159 | 159.5 Ų | 159.5 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | cis | -176.4 | 157.8 | -33.6 | -157.2 | 178.4 | 167 | 0 | 0 | 105.2 | ||||
| 877 | E | 35.6 | Very low | 35.6 | Very low | 156 Ų | 156 | 162 Ų | 162 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | trans | 80.6 | 101.9 | 155.7 | -56 | -158.6 | 147.9 | 0 | 0 | 124.5 | ||||
| 878 | S | 34 | Very low | 36.1 | Very low | 89 Ų | 89 | 163.1 Ų | 163.1 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | 66.2 | 136.6 | 112.6 | 89 | 0 | 0 | 0 | 0 | 125 | |||||
| 879 | K | 38.2 | Very low | 36.6 | Very low | 190 Ų | 190 | 160.2 Ų | 160.2 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 123.4 | 100.5 | 146.2 | -67.1 | 167.5 | -171.4 | 174.7 | 0 | 113.6 | ||||
| 880 | K | 34.7 | Very low | 36.9 | Very low | 181 Ų | 181 | 158.9 Ų | 158.9 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | 77.5 | 123.6 | 72.4 | -83.6 | -174 | 179.3 | 172.7 | 0 | 115.8 | |||||
| 881 | K | 35.9 | Very low | 37.3 | Very low | 184 Ų | 184 | 158.3 Ų | 158.3 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 86.2 | 140.9 | 150.4 | -60.3 | 165 | 180 | -170.7 | 0 | 115.8 | ||||
| 882 | R | 39 | Very low | 37.4 | Very low | 235 Ų | 235 | 160.4 Ų | 160.4 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | cis | -162.3 | 141.6 | 42.3 | -146.2 | 176.8 | -66.9 | -173.7 | 0.2 | 111.4 | ||||
| 883 | K | 36.2 | Very low | 37.7 | Very low | 205 Ų | 205 | 159.9 Ų | 159.9 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -90.1 | 147.3 | 169.4 | -70.1 | 177.2 | 172.5 | -177.3 | 0 | 109.6 | ||||
| 884 | M | 37.3 | Very low | 37.9 | Very low | 174 Ų | 174 | 158.3 Ų | 158.3 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -135.7 | 135.3 | 159.6 | -94.4 | -73.1 | -92.4 | 0 | 0 | 108.4 | ||||
| 885 | A | 33.9 | Very low | 38.2 | Very low | 93 Ų | 93 | 158.2 Ų | 158.2 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -107 | 143 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 886 | F | 39.3 | Very low | 38.6 | Very low | 182 Ų | 182 | 159.3 Ų | 159.3 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | -119.7 | 135.2 | 170.8 | -108 | -91.2 | 0 | 0 | 0 | 108.8 | F888 | F886-F888 HydrophobicContact CD1-CE2 4.22Š| ||
| 887 | E | 36.1 | Very low | 39.2 | Very low | 185 Ų | 185 | 157.6 Ų | 157.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -104.6 | 132.4 | -179.2 | -167.6 | 168.8 | -149.5 | 0 | 0 | 106.6 | ||||
| 888 | F | 41.2 | Very low | 39.2 | Very low | 185 Ų | 185 | 156.7 Ų | 156.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -131.9 | 145.7 | 172.2 | -97.5 | -78.6 | 0 | 0 | 0 | 111.3 | F886 | F886-F888 HydrophobicContact CD1-CE2 4.22Š| ||
| 889 | D | 44.5 | Very low | 39.6 | Very low | 144 Ų | 144 | 157.7 Ų | 157.7 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -74.9 | 150.7 | -155.1 | -165.5 | 4.5 | 0 | 0 | 0 | 114.4 | ||||
| 890 | I | 42.1 | Very low | 39.4 | Very low | 149 Ų | 149 | 156 Ų | 156 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -106.5 | 89.9 | -170.4 | -57.6 | 161 | 0 | 0 | 0 | 106.3 | ||||
| 891 | N | 43.6 | Very low | 39.5 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -171.1 | 81.7 | 161.5 | -81.2 | -40.5 | 0 | 0 | 0 | 111.2 | ||||
| 892 | S | 41.4 | Very low | 39.3 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | -134.3 | 96.6 | 157.4 | -83.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 893 | D | 40 | Very low | 38.7 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -126.4 | 106.5 | 178.3 | -169.3 | 15.3 | 0 | 0 | 0 | 106.9 | ||||
| 894 | S | 44.5 | Very low | 38.5 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 178.3 | 92.2 | 157.2 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 895 | S | 39.6 | Very low | 38.6 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -64.8 | 126.7 | 155.7 | 57.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 896 | E | 41.8 | Very low | 38.8 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -144.2 | 95.2 | 149.9 | -138.6 | 166 | -158.3 | 0 | 0 | 108.4 | T898 | E896-T898 PolarHBondContact O-N 3.07Š| ||
| 897 | T | 43.6 | Very low | 38.4 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -75.5 | 100.4 | 173.7 | 48.1 | 0 | 0 | 0 | 0 | 107.8 | D899 | T897-D899 PolarHBondContact O-N 3.4Š| ||
| 898 | T | 37 | Very low | 38.3 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | -64.5 | 86.8 | 149.9 | -55 | 0 | 0 | 0 | 0 | 106.5 | E896 | E896-T898 PolarHBondContact O-N 3.07Š| ||
| 899 | D | 41.7 | Very low | 38.4 | Very low | 109 Ų | 109 | 135 Ų | 135 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | trans | -86.8 | 110.6 | 169.3 | -168.2 | 17.5 | 0 | 0 | 0 | 107.4 | T897 L901 | T897-D899 PolarHBondContact O-N 3.4Å; D899-L901 VanDerWaalsContact C-N 3.27Å; D899-L901 PolarHBondContact O-N 3.22Å; D899-L901 PolarHBondContact OD1-N 3.07Å; D899-L901 WeakPolarHBondContact OD2-CD1 3.34Å; D899-L901 WeakPolarHBondContact OD2-CG 3.21Å | ||
| 900 | L | 34.5 | Very low | 37.7 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | trans | -86.6 | 76 | 156 | -75.2 | 171.3 | 0 | 0 | 0 | 107.1 | ||||
| 901 | L | 35.9 | Very low | 37.1 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | trans | -83.6 | 146.9 | 144.8 | -79.4 | 178.2 | 0 | 0 | 0 | 107.1 | D899 | D899-L901 VanDerWaalsContact C-N 3.27Å; D899-L901 PolarHBondContact O-N 3.22Å; D899-L901 PolarHBondContact OD1-N 3.07Å; D899-L901 WeakPolarHBondContact OD2-CD1 3.34Å; D899-L901 WeakPolarHBondContact OD2-CG 3.21Å | ||
| 902 | S | 32.4 | Very low | 36.6 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | 75.5 | 126.9 | -177.9 | -119.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 903 | M | 25.1 | Very low | 36.2 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | cis | -162.4 | 169.5 | 10.6 | -61.2 | 175.4 | 55.8 | 0 | 0 | 102.9 | ||||
| 904 | V | 33.8 | Very low | 35.7 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | cis | -162.3 | 132.2 | 37.6 | -167.5 | 0 | 0 | 0 | 0 | 101.2 | E906 | V904-E906 HydrophobicContact CG1-CG 4.3Š| ||
| 905 | S | 38.7 | Very low | 35 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | 48.7 | 130.1 | 82.2 | -110.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 906 | E | 38.6 | Very low | 34.6 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | -158.6 | 124.1 | 64.5 | -82.6 | 169.5 | -173.1 | 0 | 0 | 106.7 | V904 | V904-E906 HydrophobicContact CG1-CG 4.3Š| |||
| 907 | E | 31.2 | Very low | 34.1 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | 95.8 | 104.2 | 75.3 | -164.6 | 168.2 | 178.4 | 0 | 0 | 109.3 | |||||
| 908 | E | 33.9 | Very low | 33.4 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | 42.2 | 94.6 | 134.6 | -54.7 | -174.1 | 162.1 | 0 | 0 | 116.9 | ||||
| 909 | T | 41.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -119.8 | 107.5 | 137.6 | 44.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 910 | L | 30.4 | Very low | 33.5 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | trans | 64.1 | 103.8 | 134.2 | -76.7 | 114.9 | 0 | 0 | 0 | 117.2 | ||||
| 911 | K | 28.9 | Very low | 33.5 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | 72.1 | 100.3 | 87.1 | -96.7 | 179.7 | 167.4 | 171.3 | 0 | 112 | L913 | K911-L913 PolarHBondContact O-N 3.34Š| |||
| 912 | T | 33.6 | Very low | 33.3 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | 45.6 | 79.8 | 117.3 | 63.6 | 0 | 0 | 0 | 0 | 115.2 | Y914 | T912-Y914 VanDerWaalsContact C-N 3.34Š| |||
| 913 | L | 32.9 | Very low | 33.6 | Very low | 177 Ų | 177 | 141 Ų | 141 | 93% | 0.927 | 74% | 0.744 | S | S | * | * | trans | -92.4 | 83.4 | 132.3 | -114.3 | 85.5 | 0 | 0 | 0 | 106 | K911 | K911-L913 PolarHBondContact O-N 3.34Š| ||
| 914 | Y | 28.7 | Very low | 33.8 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 74% | 0.737 | 75% | 0.746 | S | S | * | * | 46.2 | 96.3 | 96.9 | -98.8 | -93.7 | 0 | 0 | 0 | 112.3 | T912 N916 | T912-Y914 VanDerWaalsContact C-N 3.34Å; Y914-N916 PolarHBondContact O-N 3.35Å | |||
| 915 | R | 30.1 | Very low | 33.5 | Very low | 212 Ų | 212 | 142.5 Ų | 142.5 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -37.6 | 109.4 | 145.1 | -96.3 | -140.5 | -88.6 | -179.5 | -14.9 | 109.1 | ||||
| 916 | N | 30.9 | Very low | 33.2 | Very low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -100.3 | 135.5 | 164.4 | -121.6 | -1 | 0 | 0 | 0 | 108.3 | Y914 | Y914-N916 PolarHBondContact O-N 3.35Š| ||
| 917 | N | 31.7 | Very low | 32.9 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 83.1 | 79 | 165.4 | -48.6 | -18.9 | 0 | 0 | 0 | 116.6 | ||||
| 918 | N | 29.9 | Very low | 33 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | trans | -78.7 | 160.8 | 147.9 | -83 | -18.5 | 0 | 0 | 0 | 110.6 | ||||
| 919 | P | 46.6 | Very low | 33 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -90.5 | 166.2 | -175.3 | 38 | -35.1 | 0 | 0 | 0 | 113.2 | ||||
| 920 | P | 34 | Very low | 32.4 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -143.2 | 134.5 | 156.4 | 36.3 | -19 | 0 | 0 | 0 | 115.5 | ||||
| 921 | A | 33.6 | Very low | 32.4 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 160.2 | 96.7 | 136.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 922 | S | 33.5 | Very low | 32.6 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | 74.8 | 91.2 | 58 | 84.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 923 | H | 37.1 | Very low | 32.5 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -159.1 | 95.5 | 142.4 | -80.1 | -61.7 | 0 | 0 | 0 | 106.5 | ||||
| 924 | L | 30.8 | Very low | 32.5 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | 78.4 | 91.4 | 86.7 | -166.7 | 70.7 | 0 | 0 | 0 | 113 | V926 | L924-V926 HydrophobicContact CD1-CG2 3.9Š| |||
| 925 | C | 26.4 | Very low | 32.4 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -123 | 122.4 | 155 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 926 | V | 32.4 | Very low | 32.5 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | -140.5 | 120.3 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 107.7 | L924 | L924-V926 HydrophobicContact CD1-CG2 3.9Š| ||
| 927 | K | 33.3 | Very low | 32.7 | Very low | 191 Ų | 191 | 133.3 Ų | 133.3 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -169.8 | 98.8 | 149.5 | -105.1 | 170.4 | -172.9 | -178.3 | 0 | 111.3 | ||||
| 928 | T | 32.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 37.8 | 140.6 | 137 | 53 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 929 | P | 33.7 | Very low | 33.1 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -102.7 | 168.9 | 173.8 | 40.5 | -33.9 | 0 | 0 | 0 | 115.2 | ||||
| 930 | K | 29.6 | Very low | 32.1 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -160.1 | 128.2 | 163.1 | -108.9 | 177.8 | -178.3 | 168.2 | 0 | 114.4 | ||||
| 931 | K | 30.7 | Very low | 32.2 | Very low | 190 Ų | 190 | 129.5 Ų | 129.5 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | 67.3 | 142.8 | 144.8 | -62.2 | -176.9 | 178.2 | -168.9 | 0 | 118.5 | ||||
| 932 | A | 32.7 | Very low | 32.2 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | cis | -162.6 | 171.2 | 9.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 933 | P | 32.4 | Very low | 32.4 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -118.4 | 168.3 | -167.4 | 40.7 | -28.1 | 0 | 0 | 0 | 115.9 | ||||
| 934 | S | 31.3 | Very low | 32.6 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 153.4 | 151 | 151.6 | -77.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 935 | S | 28.3 | Very low | 33.1 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | cis | 173.4 | 164.5 | -16.2 | 55.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 936 | L | 32.2 | Very low | 33.9 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | 81.4 | 136.6 | 160.2 | -96 | 76.6 | 0 | 0 | 0 | 117.5 | ||||
| 937 | T | 33.2 | Very low | 34.5 | Very low | 115 Ų | 115 | 132 Ų | 132 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | cis | -167 | 119.1 | 28.2 | -39.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 938 | T | 32.5 | Very low | 35.2 | Very low | 124 Ų | 124 | 128 Ų | 128 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | 67.1 | 164.8 | 102.1 | -5.2 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 939 | P | 37.4 | Very low | 35.9 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | -129.3 | 175.4 | -113.5 | 42.7 | -23.6 | 0 | 0 | 0 | 116.3 | |||||
| 940 | G | 27.6 | Very low | 36.8 | Very low | 69 Ų | 69 | 134.5 Ų | 134.5 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 122.3 | 134.2 | 134.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 941 | S | 35.8 | Very low | 37.6 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | 107.8 | 118.8 | 142.7 | 83.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 942 | T | 31.9 | Very low | 38.6 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 87% | 0.871 | 75% | 0.751 | S | S | * | * | trans | -86.1 | 127.4 | 172.4 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 943 | L | 38.5 | Very low | 39.4 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -128.9 | 140 | 170.3 | -138.1 | 88.6 | 0 | 0 | 0 | 113.1 | ||||
| 944 | K | 41 | Very low | 40.5 | Very low | 195 Ų | 195 | 133.4 Ų | 133.4 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | trans | -65 | 139.9 | -164.4 | -60.9 | 170.4 | 177.4 | -179.3 | 0 | 115.9 | G946 | K944-G946 VanDerWaalsContact C-N 3.27Å; K944-G946 PolarHBondContact O-N 3.26Å; K944-G946 VanDerWaalsContact O-N 3.14Å | ||
| 945 | F | 41.2 | Very low | 41.5 | Very low | 178 Ų | 178 | 136 Ų | 136 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -73.7 | 11.5 | -179.6 | -106.9 | -100.6 | 0 | 0 | 0 | 116.7 | A947 I948 | F945-A947 VanDerWaalsContact C-N 3.31Å; F945-A947 PolarHBondContact O-N 3.05Å; F945-I948 HydrophobicContact CD1-CD1 3.39Å; F945-I948 HydrophobicContact CE1-CD1 3.34Å; F945-I948 HydrophobicContact CG-CD1 4.22Å; F945-I948 HydrophobicContact CZ-CD1 4.16Å |
| 946 | G | 43 | Very low | 42.4 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -72.1 | -15.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K944 | K944-G946 VanDerWaalsContact C-N 3.27Å; K944-G946 PolarHBondContact O-N 3.26Å; K944-G946 VanDerWaalsContact O-N 3.14Å |
| 947 | A | 45.3 | Very low | 43.6 | Very low | 77 Ų | 77 | 136.2 Ų | 136.2 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -85 | -9.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F945 | F945-A947 VanDerWaalsContact C-N 3.31Å; F945-A947 PolarHBondContact O-N 3.05Å |
| 948 | I | 47.8 | Very low | 44.7 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 55% | 0.549 | 71% | 0.714 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.2 | -22.3 | -174.1 | -72.3 | 160.5 | 0 | 0 | 0 | 112.8 | F945 | F945-I948 HydrophobicContact CD1-CD1 3.39Å; F945-I948 HydrophobicContact CE1-CD1 3.34Å; F945-I948 HydrophobicContact CG-CD1 4.22Å; F945-I948 HydrophobicContact CZ-CD1 4.16Å |
| 949 | R | 48 | Very low | 45.6 | Very low | 217 Ų | 217 | 133.9 Ų | 133.9 | 82% | 0.819 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -31 | -177 | -159.2 | 177.3 | -73.6 | 171.8 | -3.2 | 113.1 | ||
| 950 | K | 51.6 | Low | 46.6 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -77.2 | -22.9 | 178 | -73.9 | -152.5 | 173.2 | -169.7 | 0 | 114.8 | R952 | K950-R952 VanDerWaalsContact C-N 3.31Å; K950-R952 PolarHBondContact O-N 3.27Å |
| 951 | M | 47.9 | Very low | 47.9 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 62% | 0.616 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -77.4 | -11.7 | 177.6 | -72.4 | -148.6 | -156.4 | 0 | 0 | 114.6 | R955 | M951-R955 WeakPolarHBondContact O-CG 3.5Å |
| 952 | R | 50.8 | Low | 48.8 | Very low | 179 Ų | 179 | 136 Ų | 136 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -83.3 | -35.7 | -177.2 | -171.1 | 178.8 | -105.9 | -156.5 | -0.7 | 112.6 | K950 | K950-R952 VanDerWaalsContact C-N 3.31Å; K950-R952 PolarHBondContact O-N 3.27Å |
| 953 | E | 50.3 | Low | 50.2 | Low | 151 Ų | 151 | 134.9 Ų | 134.9 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.8 | -36.7 | 177.1 | -78.1 | 165.6 | -177.3 | 0 | 0 | 111.6 | R955 W956 | E953-R955 PolarHBondContact O-N 2.74Å; E953-W956 PolarHBondContact O-N 3.31Å |
| 954 | D | 54.9 | Low | 51.5 | Low | 111 Ų | 111 | 137.1 Ų | 137.1 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63.8 | -25.6 | 176.4 | -71.2 | -17.3 | 0 | 0 | 0 | 113 | V958 | D954-V958 WeakPolarHBondContact O-CG2 3.49Å; D954-V958 PolarHBondContact O-N 3.36Å |
| 955 | R | 52.6 | Low | 52.7 | Low | 174 Ų | 174 | 135.9 Ų | 135.9 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.6 | -30.1 | 178.1 | -74.1 | 178.6 | -176.4 | -114.6 | 1.1 | 113.3 | M951 E953 I959 | M951-R955 WeakPolarHBondContact O-CG 3.5Å; E953-R955 PolarHBondContact O-N 2.74Å; R955-I959 WeakPolarHBondContact O-CG1 3.26Å; R955-I959 PolarHBondContact O-N 3.41Å |
| 956 | W | 45.9 | Very low | 54 | Low | 187 Ų | 187 | 133.6 Ų | 133.6 | 71% | 0.708 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73.4 | -36.3 | 176.9 | -79.4 | 104 | 0 | 0 | 0 | 112.1 | E953 V958 I959 A960 | E953-W956 PolarHBondContact O-N 3.31Å; W956-V958 VanDerWaalsContact C-N 3.27Å; W956-V958 PolarHBondContact O-N 3.36Å; W956-I959 PolarHBondContact O-N 2.91Å; W956-A960 PolarHBondContact O-N 2.87Å |
| 957 | A | 57.6 | Low | 55.1 | Low | 64 Ų | 64 | 136.4 Ų | 136.4 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63.3 | -33.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 958 | V | 57.9 | Low | 56.2 | Low | 98 Ų | 98 | 138.2 Ų | 138.2 | 59% | 0.594 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.4 | -36.1 | 178.6 | 176 | 0 | 0 | 0 | 0 | 112.2 | D954 W956 K961 M962 | D954-V958 WeakPolarHBondContact O-CG2 3.49Å; D954-V958 PolarHBondContact O-N 3.36Å; W956-V958 VanDerWaalsContact C-N 3.27Å; W956-V958 PolarHBondContact O-N 3.36Å; V958-K961 PolarHBondContact O-N 3.23Å; V958-M962 PolarHBondContact O-N 3.22Å |
| 959 | I | 51.6 | Low | 57.1 | Low | 92 Ų | 92 | 140.2 Ų | 140.2 | 47% | 0.472 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.2 | -36 | -179.3 | -65.3 | 166.5 | 0 | 0 | 0 | 111.4 | R955 W956 K961 M962 | R955-I959 WeakPolarHBondContact O-CG1 3.26Å; R955-I959 PolarHBondContact O-N 3.41Å; W956-I959 PolarHBondContact O-N 2.91Å; I959-K961 PolarHBondContact O-N 3.28Å; I959-M962 PolarHBondContact O-N 3.47Å |
| 960 | A | 57.7 | Low | 57.8 | Low | 90 Ų | 90 | 136.1 Ų | 136.1 | 74% | 0.744 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.5 | -23 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W956 | W956-A960 PolarHBondContact O-N 2.87Å |
| 961 | K | 55.5 | Low | 58.3 | Low | 192 Ų | 192 | 130.2 Ų | 130.2 | 84% | 0.835 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 8.9 | 178.6 | -64 | -148.5 | 177.7 | -172.3 | 0 | 114.2 | V958 I959 | V958-K961 PolarHBondContact O-N 3.23Å; I959-K961 PolarHBondContact O-N 3.28Å |
| 962 | M | 53.5 | Low | 59 | Low | 71 Ų | 71 | 130.5 Ų | 130.5 | 35% | 0.35 | 62% | 0.621 | S | S | . | * | trans | -89.1 | 119.6 | -178.8 | -155.7 | 152.9 | 78.2 | 0 | 0 | 112.3 | V958 I959 K966 | V958-M962 PolarHBondContact O-N 3.22Å; I959-M962 PolarHBondContact O-N 3.47Å; M962-K966 HydrophobicContact CE-CB 4.45Å; M962-K966 HydrophobicContact CE-CD 4.32Å; M962-K966 HydrophobicContact CG-CB 4.14Å; M962-K966 HydrophobicContact CG-CD 3.77Å; M962-K966 HydrophobicContact SD-CD 3.63Å | ||
| 963 | D | 61.3 | Low | 59.4 | Low | 119 Ų | 119 | 129.9 Ų | 129.9 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | trans | -60.5 | 144.6 | -170.9 | -158 | -6.9 | 0 | 0 | 0 | 113.7 | K965 K966 | D963-K965 PolarHBondContact O-N 2.79Å; D963-K966 PolarHBondContact O-N 3.04Å | ||
| 964 | R | 66.1 | Low | 59.3 | Low | 210 Ų | 210 | 129.4 Ų | 129.4 | 79% | 0.792 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -57.4 | -28 | -171.1 | -161.9 | 176 | -176.5 | 179.7 | 0.5 | 112.4 | K966 K967 L968 | R964-K966 VanDerWaalsContact C-N 3.33Å; R964-K966 PolarHBondContact O-N 2.78Å; R964-K967 PolarHBondContact O-N 2.88Å; R964-L968 PolarHBondContact O-N 2.8Å |
| 965 | K | 66.6 | Low | 58.7 | Low | 170 Ų | 170 | 133.3 Ų | 133.3 | 74% | 0.739 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.1 | -33 | 174.1 | -82.4 | -172.7 | 177.8 | 178.9 | 0 | 113.8 | D963 K969 | D963-K965 PolarHBondContact O-N 2.79Å; K965-K969 PolarHBondContact O-N 3.45Å |
| 966 | K | 67.8 | Low | 58.2 | Low | 130 Ų | 130 | 133.9 Ų | 133.9 | 57% | 0.565 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.8 | -37 | 176.5 | -92.8 | -175.3 | 175.9 | 179 | 0 | 112.2 | M962 D963 R964 L968 K969 E970 | M962-K966 HydrophobicContact CE-CB 4.45Å; M962-K966 HydrophobicContact CE-CD 4.32Å; M962-K966 HydrophobicContact CG-CB 4.14Å; M962-K966 HydrophobicContact CG-CD 3.77Å; M962-K966 HydrophobicContact SD-CD 3.63Å; D963-K966 PolarHBondContact O-N 3.04Å; R964-K966 VanDerWaalsContact C-N 3.33Å; R964-K966 PolarHBondContact O-N 2.78Å; K966-L968 VanDerWaalsContact C-N 3.26Å; K966-L968 PolarHBondContact O-N 3.37Å; K966-K969 PolarHBondContact O-N 3.09Å; K966-E970 PolarHBondContact O-N 3.4Å; K966-E970 VanDerWaalsContact O-N 3.15Å |
| 967 | K | 66 | Low | 58.8 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -60.6 | -37.5 | 173.8 | -70 | -168 | 176.6 | -175.3 | 0 | 112.1 | R964 E970 A971 | R964-K967 PolarHBondContact O-N 2.88Å; K967-E970 PolarHBondContact O-N 3.03Å; K967-A971 PolarHBondContact O-N 3.27Å |
| 968 | L | 69.2 | Low | 58.9 | Low | 116 Ų | 116 | 134.8 Ų | 134.8 | 61% | 0.607 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.6 | -40.8 | 178.7 | -131.3 | 138.9 | 0 | 0 | 0 | 112 | R964 K966 E970 A971 E972 | R964-L968 PolarHBondContact O-N 2.8Å; K966-L968 VanDerWaalsContact C-N 3.26Å; K966-L968 PolarHBondContact O-N 3.37Å; L968-E970 VanDerWaalsContact C-N 3.33Å; L968-E970 PolarHBondContact O-N 2.93Å; L968-A971 PolarHBondContact O-N 3.09Å; L968-E972 WeakPolarHBondContact O-CB 3.47Å; L968-E972 PolarHBondContact O-N 3.32Å |
| 969 | K | 66.2 | Low | 58.9 | Low | 148 Ų | 148 | 136.8 Ų | 136.8 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.8 | -27.7 | 175.5 | -74.1 | -167.1 | 175.3 | -168.4 | 0 | 114.3 | K965 K966 | K965-K969 PolarHBondContact O-N 3.45Å; K966-K969 PolarHBondContact O-N 3.09Å |
| 970 | E | 62.4 | Low | 59.3 | Low | 131 Ų | 131 | 139.5 Ų | 139.5 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -79 | -34.6 | 174.5 | -115.4 | 169.3 | -175.8 | 0 | 0 | 111.8 | K966 K967 L968 K973 | K966-E970 PolarHBondContact O-N 3.4Å; K966-E970 VanDerWaalsContact O-N 3.15Å; K967-E970 PolarHBondContact O-N 3.03Å; L968-E970 VanDerWaalsContact C-N 3.33Å; L968-E970 PolarHBondContact O-N 2.93Å; E970-K973 PolarHBondContact O-N 3.28Å |
| 971 | A | 61.9 | Low | 59.4 | Low | 49 Ų | 49 | 142.6 Ų | 142.6 | 41% | 0.405 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -68.5 | -34.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K967 L968 K973 L974 | K967-A971 PolarHBondContact O-N 3.27Å; L968-A971 PolarHBondContact O-N 3.09Å; A971-K973 PolarHBondContact O-N 3.07Å; A971-L974 WeakPolarHBondContact O-CB 3.46Å; A971-L974 PolarHBondContact O-N 3.19Å |
| 972 | E | 63.2 | Low | 59.7 | Low | 132 Ų | 132 | 139.3 Ų | 139.3 | 62% | 0.617 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.4 | -24.4 | 177.8 | -155.8 | 168.8 | -151 | 0 | 0 | 112.4 | L968 L974 | L968-E972 WeakPolarHBondContact O-CB 3.47Å; L968-E972 PolarHBondContact O-N 3.32Å; E972-L974 VanDerWaalsContact C-N 3.28Å; E972-L974 PolarHBondContact O-N 3.47Å |
| 973 | K | 58.2 | Low | 60.1 | Low | 165 Ų | 165 | 144.1 Ų | 144.1 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -4.6 | 173.1 | -70 | -176.4 | 179.1 | -174 | 0 | 114.4 | E970 A971 | E970-K973 PolarHBondContact O-N 3.28Å; A971-K973 PolarHBondContact O-N 3.07Å |
| 974 | L | 50.1 | Low | 60.1 | Low | 141 Ų | 141 | 146.1 Ų | 146.1 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -5.6 | 174.1 | -75.7 | 165.2 | 0 | 0 | 0 | 112.8 | A971 E972 | A971-L974 WeakPolarHBondContact O-CB 3.46Å; A971-L974 PolarHBondContact O-N 3.19Å; E972-L974 VanDerWaalsContact C-N 3.28Å; E972-L974 PolarHBondContact O-N 3.47Å |
| 975 | F | 41.9 | Very low | 59.6 | Low | 194 Ų | 194 | 140.8 Ų | 140.8 | 85% | 0.851 | 68% | 0.681 | S | S | * | * | trans | -113.5 | 20.1 | 176.2 | -74.9 | -78.7 | 0 | 0 | 0 | 113.6 | ||||
| 976 | V | 41.2 | Very low | 58.9 | Low | 186 Ų | 186 | 138.1 Ų | 138.1 | 100% | 1.127 | 68% | 0.676 | S | S | * | * | trans | -126.1 | 0 | 163.1 | -176.5 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 976 of 976 residues in 1493.3 ms
(Link to these results)