| 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 | 41.1 | Very low | 57.7 | Low | 244 Ų | 244 | 174.2 Ų | 174.2 | 100% | 1.202 | 84% | 0.84 | S | S | * | * | 0 | 134.4 | 0 | -81.1 | -165.9 | 163.2 | 0 | 0 | 108.6 | |||||
| 2 | P | 58.9 | Low | 57.9 | Low | 116 Ų | 116 | 173.3 Ų | 173.3 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | trans | -126.3 | 164.8 | -144.8 | 37.3 | -20.7 | 0 | 0 | 0 | 114.8 | ||||
| 3 | A | 62 | Low | 57.6 | Low | 105 Ų | 105 | 175.2 Ų | 175.2 | 87% | 0.868 | 84% | 0.844 | S | S | * | * | trans | -151.1 | 99.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | F | 56.3 | Low | 57.4 | Low | 168 Ų | 168 | 177.2 Ų | 177.2 | 74% | 0.737 | 85% | 0.847 | S | S | * | * | trans | -78.3 | 135.9 | 170.2 | -106.3 | -98.4 | 0 | 0 | 0 | 109.7 | K6 | F4-K6 HydrophobicContact CD1-CG 4.33Š| ||
| 5 | I | 67.8 | Low | 57.2 | Low | 156 Ų | 156 | 176.9 Ų | 176.9 | 80% | 0.8 | 85% | 0.848 | S | S | * | * | trans | -131.3 | 110.7 | 151.2 | -62.1 | -178.3 | 0 | 0 | 0 | 108.3 | Y7 | I5-Y7 HydrophobicContact CG2-CD2 4.29Š| ||
| 6 | K | 65.5 | Low | 57.3 | Low | 169 Ų | 169 | 172.4 Ų | 172.4 | 74% | 0.735 | 83% | 0.83 | S | S | * | * | trans | -93.3 | 132.4 | 169.1 | -93.2 | 174.4 | 174.4 | 166.7 | 0 | 108.5 | F4 | F4-K6 HydrophobicContact CD1-CG 4.33Š| ||
| 7 | Y | 62.4 | Low | 57.3 | Low | 215 Ų | 215 | 172.3 Ų | 172.3 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -126.1 | 122.7 | 154.9 | -103 | -85.2 | 0 | 0 | 0 | 110.5 | I5 | I5-Y7 HydrophobicContact CG2-CD2 4.29Š| ||
| 8 | K | 55.3 | Low | 57.7 | Low | 193 Ų | 193 | 169.7 Ų | 169.7 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | -92.4 | 142.8 | 171.9 | -88.3 | -178.6 | 169.6 | 177.7 | 0 | 109.7 | ||||
| 9 | R | 58 | Low | 57.9 | Low | 233 Ų | 233 | 167.2 Ų | 167.2 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -167.1 | 104.8 | 142.2 | -105.3 | 178.9 | -125.8 | 173 | 1.4 | 107.3 | ||||
| 10 | K | 58.1 | Low | 57.6 | Low | 196 Ų | 196 | 166.6 Ų | 166.6 | 85% | 0.852 | 83% | 0.826 | S | S | * | * | 44.6 | 96.3 | 95.6 | -82.3 | -169.3 | 175 | -175.1 | 0 | 112.6 | |||||
| 11 | V | 48.9 | Very low | 57.3 | Low | 121 Ų | 121 | 169.5 Ų | 169.5 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | 75.5 | 113.5 | 87.8 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 12 | D | 60 | Low | 57.8 | Low | 164 Ų | 164 | 164.7 Ų | 164.7 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | -161.1 | 136.8 | 123.1 | -92.1 | -31.2 | 0 | 0 | 0 | 112.4 | |||||
| 13 | K | 54.5 | Low | 57.4 | Low | 197 Ų | 197 | 163.6 Ų | 163.6 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -88.9 | 147.8 | 178.3 | -84.3 | 173.9 | 168.7 | 176.8 | 0 | 110.6 | ||||
| 14 | K | 55.1 | Low | 56.9 | Low | 204 Ų | 204 | 165.9 Ų | 165.9 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | 178.4 | 114.5 | 139.2 | -96.5 | 161.4 | -174.3 | -172.9 | 0 | 107.7 | ||||
| 15 | M | 54.3 | Low | 56.6 | Low | 173 Ų | 173 | 164.5 Ų | 164.5 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | 46.1 | 120.8 | 95.9 | -82.9 | -166.2 | 162.2 | 0 | 0 | 112 | |||||
| 16 | D | 58.5 | Low | 55.8 | Low | 105 Ų | 105 | 162.3 Ų | 162.3 | 56% | 0.561 | 81% | 0.807 | S | S | * | * | -168.4 | 147.1 | 52.5 | -108.3 | -20.3 | 0 | 0 | 0 | 112.1 | |||||
| 17 | K | 56.9 | Low | 55.3 | Low | 170 Ų | 170 | 159.8 Ų | 159.8 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | trans | 50.3 | 112.7 | 134.9 | -58.5 | 163.2 | -172.5 | 140.8 | 0 | 120.6 | ||||
| 18 | S | 64.9 | Low | 54.7 | Low | 126 Ų | 126 | 157.8 Ų | 157.8 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | trans | -111.3 | 131.2 | 149.5 | -62.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 19 | P | 61.3 | Low | 54.9 | Low | 121 Ų | 121 | 153.6 Ų | 153.6 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -97.5 | 154.5 | 173.2 | 35.6 | -28.5 | 0 | 0 | 0 | 112.4 | ||||
| 20 | D | 51.6 | Low | 54.7 | Low | 156 Ų | 156 | 150.1 Ų | 150.1 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -45.3 | 149.3 | 169.8 | -61 | -55.9 | 0 | 0 | 0 | 114.5 | ||||
| 21 | R | 52.7 | Low | 54.3 | Low | 227 Ų | 227 | 148.3 Ų | 148.3 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -172.4 | 115.2 | 131 | -102.3 | 167.3 | -178.3 | -147.5 | -2.2 | 113.2 | ||||
| 22 | L | 51.6 | Low | 54.4 | Low | 144 Ų | 144 | 147.9 Ų | 147.9 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | 57.7 | 104.4 | 127.8 | -59.6 | 173.2 | 0 | 0 | 0 | 116.9 | |||||
| 23 | S | 50.5 | Low | 53.8 | Low | 92 Ų | 92 | 150.9 Ų | 150.9 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | 68.9 | 107.4 | 92.8 | 83.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 24 | D | 50.7 | Low | 53.7 | Low | 154 Ų | 154 | 153.4 Ų | 153.4 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 174.1 | 85.9 | 132.2 | -82.6 | -12.4 | 0 | 0 | 0 | 109 | ||||
| 25 | C | 50.2 | Low | 53.3 | Low | 139 Ų | 139 | 149.9 Ų | 149.9 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | -93 | 87.9 | 158.7 | -73.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 26 | S | 51.3 | Low | 52.8 | Low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -78.6 | 120.2 | 163.8 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | M28 | S26-M28 PolarHBondContact O-N 3.31Š| ||
| 27 | V | 54.4 | Low | 52.2 | Low | 116 Ų | 116 | 151.5 Ų | 151.5 | 70% | 0.703 | 81% | 0.805 | S | S | * | * | trans | -42.9 | 121.2 | 165.7 | 176.8 | 0 | 0 | 0 | 0 | 110 | T29 | V27-T29 HydrophobicContact CG1-CG2 4.21Š| ||
| 28 | M | 50.6 | Low | 51.7 | Low | 172 Ų | 172 | 153.1 Ų | 153.1 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | -88.9 | 112.2 | 164.9 | -82.2 | -95.4 | 58.8 | 0 | 0 | 107.8 | S26 | S26-M28 PolarHBondContact O-N 3.31Š| ||
| 29 | T | 58.6 | Low | 51.1 | Low | 105 Ų | 105 | 155.4 Ų | 155.4 | 64% | 0.644 | 81% | 0.809 | S | S | * | * | trans | -78.9 | 146 | 176.2 | 45.4 | 0 | 0 | 0 | 0 | 111.7 | V27 D31 | V27-T29 HydrophobicContact CG1-CG2 4.21Å; T29-D31 VanDerWaalsContact C-N 3.29Å; T29-D31 PolarHBondContact O-N 3.39Å | ||
| 30 | D | 53.6 | Low | 50.3 | Low | 161 Ų | 161 | 154.2 Ų | 154.2 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -64.8 | 31.3 | -168 | -92.4 | -32.1 | 0 | 0 | 0 | 118.7 | ||
| 31 | D | 50.1 | Low | 50.6 | Low | 158 Ų | 158 | 151.7 Ų | 151.7 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -108.3 | 24.1 | -169 | -82.6 | -19.8 | 0 | 0 | 0 | 116.8 | T29 | T29-D31 VanDerWaalsContact C-N 3.29Å; T29-D31 PolarHBondContact O-N 3.39Å | ||
| 32 | S | 50.7 | Low | 50.5 | Low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -115 | 55.5 | 178.9 | -167.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 33 | Y | 47.8 | Very low | 51.2 | Low | 227 Ų | 227 | 148.2 Ų | 148.2 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -115.5 | 80.4 | 158.6 | -82.2 | -82.5 | 0 | 0 | 0 | 109.1 | ||||
| 34 | R | 51.7 | Low | 51.1 | Low | 249 Ų | 249 | 151.9 Ų | 151.9 | 94% | 0.94 | 82% | 0.816 | S | S | * | * | trans | -91.6 | 105.5 | 163.5 | -98.2 | -170.4 | 178.4 | -154 | 1.1 | 110.1 | A36 | R34-A36 PolarHBondContact O-N 3.27Š| ||
| 35 | T | 47.5 | Very low | 51.6 | Low | 131 Ų | 131 | 149.6 Ų | 149.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -40.2 | 110.4 | 162.3 | -39.9 | 0 | 0 | 0 | 0 | 112.1 | R37 | T35-R37 PolarHBondContact O-N 2.74Š| ||
| 36 | A | 43.5 | Very low | 51.4 | Low | 87 Ų | 87 | 150.7 Ų | 150.7 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -83.3 | 102.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | R34 F38 | R34-A36 PolarHBondContact O-N 3.27Å; A36-F38 PolarHBondContact O-N 2.78Å | ||
| 37 | R | 45.4 | Very low | 51.5 | Low | 225 Ų | 225 | 151.3 Ų | 151.3 | 85% | 0.849 | 81% | 0.806 | S | S | * | * | trans | -69.1 | 117.3 | 159.9 | -93.5 | -177 | 176 | 171.7 | -1.3 | 107.5 | T35 | T35-R37 PolarHBondContact O-N 2.74Š| ||
| 38 | F | 46.7 | Very low | 51 | Low | 204 Ų | 204 | 155.5 Ų | 155.5 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -80.6 | 109.7 | 161.7 | -101.5 | -92.5 | 0 | 0 | 0 | 107.8 | A36 | A36-F38 PolarHBondContact O-N 2.78Š| ||
| 39 | E | 53.4 | Low | 51 | Low | 174 Ų | 174 | 153.4 Ų | 153.4 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -78.7 | 122.3 | 159.6 | -71.8 | -179.9 | 171.1 | 0 | 0 | 107.2 | S41 | E39-S41 PolarHBondContact O-N 2.87Š| ||
| 40 | A | 43.3 | Very low | 50.4 | Low | 95 Ų | 95 | 156.3 Ų | 156.3 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -73 | 116.5 | 172 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 41 | S | 59.3 | Low | 50 | Low | 104 Ų | 104 | 154.1 Ų | 154.1 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -97.3 | 115.2 | 165.5 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | E39 D43 | E39-S41 PolarHBondContact O-N 2.87Å; S41-D43 PolarHBondContact O-N 3.45Å | ||
| 42 | D | 50.1 | Low | 49.5 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | -70.2 | 107.8 | 169 | -63 | -41.7 | 0 | 0 | 0 | 108.4 | ||||
| 43 | D | 65.6 | Low | 49.2 | Very low | 148 Ų | 148 | 156.4 Ų | 156.4 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | -144.3 | 96.2 | 162.3 | -104.2 | -28.5 | 0 | 0 | 0 | 109.7 | S41 S45 | S41-D43 PolarHBondContact O-N 3.45Å; D43-S45 PolarHBondContact O-N 3.32Å | ||
| 44 | D | 49.7 | Very low | 48.9 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -70.1 | 95.1 | 169.8 | -77 | -40.3 | 0 | 0 | 0 | 110 | ||||
| 45 | S | 61.3 | Low | 48.3 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -145.5 | 91.5 | 154.5 | 65.2 | 0 | 0 | 0 | 0 | 112.1 | D43 T47 | D43-S45 PolarHBondContact O-N 3.32Å; S45-T47 PolarHBondContact O-N 3.2Å | ||
| 46 | I | 46 | Very low | 48.1 | Very low | 162 Ų | 162 | 150.7 Ų | 150.7 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 105.4 | 167.3 | -71.8 | 169.6 | 0 | 0 | 0 | 108.4 | ||||
| 47 | T | 51.8 | Low | 47.9 | Very low | 123 Ų | 123 | 155 Ų | 155 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -135.8 | 119.8 | 146.6 | 43 | 0 | 0 | 0 | 0 | 110.4 | S45 T49 | S45-T47 PolarHBondContact O-N 3.2Å; T47-T49 PolarHBondContact O-N 2.72Å | ||
| 48 | K | 45.4 | Very low | 47.5 | Very low | 203 Ų | 203 | 150.5 Ų | 150.5 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -51.9 | 113.6 | 178.2 | -66.4 | 167.7 | 175.6 | 175.6 | 0 | 110.6 | ||||
| 49 | T | 50.3 | Low | 47.4 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -134.8 | 131.5 | 160.1 | 53.5 | 0 | 0 | 0 | 0 | 109.9 | T47 S51 | T47-T49 PolarHBondContact O-N 2.72Å; T49-S51 PolarHBondContact O-N 3.4Å | ||
| 50 | N | 45.3 | Very low | 46.7 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -62.9 | 128.6 | -173.4 | -64.6 | -31.4 | 0 | 0 | 0 | 111 | C52 | N50-C52 PolarHBondContact O-N 2.93Å; N50-C52 VanDerWaalsContact O-N 3.14Å | ||
| 51 | S | 44.5 | Very low | 47.1 | Very low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 96.3 | -177.3 | 60.9 | 0 | 0 | 0 | 0 | 112 | T49 | T49-S51 PolarHBondContact O-N 3.4Š| ||
| 52 | C | 40.9 | Very low | 46.2 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -106.7 | 92 | 151.9 | -85.5 | 0 | 0 | 0 | 0 | 107.8 | N50 R54 | N50-C52 PolarHBondContact O-N 2.93Å; N50-C52 VanDerWaalsContact O-N 3.14Å; C52-R54 PolarHBondContact O-N 2.88Å; C52-R54 VanDerWaalsContact O-N 3.07Å | ||
| 53 | Q | 43.9 | Very low | 46.1 | Very low | 194 Ų | 194 | 150.5 Ų | 150.5 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | -69 | 101.2 | 168 | -82.2 | 177.1 | -16.7 | 0 | 0 | 108.7 | L55 | Q53-L55 PolarHBondContact O-N 2.8Š| ||
| 54 | R | 40.6 | Very low | 45 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | trans | -75.8 | 110.2 | 166 | -102.4 | 176.1 | 165 | 174.3 | -1.1 | 108.6 | C52 Y56 | C52-R54 PolarHBondContact O-N 2.88Å; C52-R54 VanDerWaalsContact O-N 3.07Å; R54-Y56 HydrophobicContact CB-CD2 4.29Å; R54-Y56 HydrophobicContact CB-CE2 3.84Å; R54-Y56 WeakPolarHBondContact CD-OH 2.87Å; R54-Y56 HydrophobicContact CG-CE2 4.5Å; R54-Y56 PolarHBondContact NH1-OH 3.38Å | ||
| 55 | L | 40 | Very low | 44.9 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -78.4 | 114.3 | 162.3 | -80.2 | 161.8 | 0 | 0 | 0 | 108.4 | Q53 F57 | Q53-L55 PolarHBondContact O-N 2.8Å; L55-F57 HydrophobicContact CB-CE2 4.23Å | ||
| 56 | Y | 42.4 | Very low | 44.2 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | trans | -95.6 | 120.6 | 168 | -68.4 | -85.1 | 0 | 0 | 0 | 108.8 | R54 | R54-Y56 HydrophobicContact CB-CD2 4.29Å; R54-Y56 HydrophobicContact CB-CE2 3.84Å; R54-Y56 WeakPolarHBondContact CD-OH 2.87Å; R54-Y56 HydrophobicContact CG-CE2 4.5Å; R54-Y56 PolarHBondContact NH1-OH 3.38Å | ||
| 57 | F | 39.9 | Very low | 44.2 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -100.3 | 103.5 | 165.3 | -70.4 | -84.4 | 0 | 0 | 0 | 108.4 | L55 | L55-F57 HydrophobicContact CB-CE2 4.23Š| ||
| 58 | T | 38 | Very low | 44 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -83.9 | 109.6 | 165.1 | 23.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 59 | T | 43.8 | Very low | 43.7 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -88.5 | 111.9 | 164.6 | 43.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 60 | V | 39.7 | Very low | 43.4 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -87.3 | 109.1 | 168.4 | -179.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 61 | L | 50 | Low | 43.2 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -96.8 | 108.1 | 166.5 | -86.6 | 163.5 | 0 | 0 | 0 | 108 | ||||
| 62 | E | 41.5 | Very low | 43.5 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -69.5 | 120.9 | 163.7 | -71.5 | 178.2 | 155.6 | 0 | 0 | 108.9 | ||||
| 63 | N | 46.8 | Very low | 43.7 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | 140.4 | 131.8 | 141 | -66.1 | -30.1 | 0 | 0 | 0 | 113.7 | ||||
| 64 | D | 43.4 | Very low | 43.6 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 72.8 | 91.9 | 162.1 | -63.3 | -19.4 | 0 | 0 | 0 | 119.8 | ||||
| 65 | A | 46.4 | Very low | 43.9 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | 40.5 | 117.2 | 125 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 66 | T | 46.8 | Very low | 44 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | 71.5 | 74.7 | 153.7 | 65 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 67 | A | 46.4 | Very low | 44 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -150.6 | 130.3 | 151.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 68 | N | 48.4 | Very low | 44.1 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -53.1 | 138.4 | -174.3 | -70.8 | -44.8 | 0 | 0 | 0 | 114 | C70 | N68-C70 PolarHBondContact O-N 3.23Å; N68-C70 VanDerWaalsContact O-N 3.09Å | ||
| 69 | L | 39.7 | Very low | 44.8 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -47 | 112.1 | 163.1 | -96.5 | 77.3 | 0 | 0 | 0 | 109.8 | ||||
| 70 | C | 43.2 | Very low | 44.8 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -102.5 | 101.8 | 160.4 | -152.8 | 0 | 0 | 0 | 0 | 106.6 | N68 S72 | N68-C70 PolarHBondContact O-N 3.23Å; N68-C70 VanDerWaalsContact O-N 3.09Å; C70-S72 VanDerWaalsContact C-N 3.33Å; C70-S72 PolarHBondContact O-N 2.79Å | ||
| 71 | T | 41.8 | Very low | 45.3 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -69.2 | 90.3 | 168.9 | 47.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 72 | S | 49.4 | Very low | 45.1 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -86.2 | 120.9 | 165.7 | 58.3 | 0 | 0 | 0 | 0 | 108.8 | C70 A74 | C70-S72 VanDerWaalsContact C-N 3.33Å; C70-S72 PolarHBondContact O-N 2.79Å; S72-A74 PolarHBondContact O-N 3.46Å | ||
| 73 | E | 46.3 | Very low | 45.2 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -47.9 | 127.5 | 177.6 | -70 | 164.3 | 144.1 | 0 | 0 | 111.8 | E75 | E73-E75 PolarHBondContact O-N 3.44Å; E73-E75 VanDerWaalsContact O-N 3.11Å | ||
| 74 | A | 40.9 | Very low | 45.4 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -74.8 | 93.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | S72 T76 | S72-A74 PolarHBondContact O-N 3.46Å; A74-T76 PolarHBondContact O-N 2.77Å | ||
| 75 | E | 46.6 | Very low | 45.2 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | trans | -64.1 | 99.2 | 166.1 | -78.6 | -179.3 | 158 | 0 | 0 | 108.8 | E73 F77 | E73-E75 PolarHBondContact O-N 3.44Å; E73-E75 VanDerWaalsContact O-N 3.11Å; E75-F77 PolarHBondContact O-N 2.84Å | ||
| 76 | T | 43 | Very low | 45.3 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | trans | -65.5 | 105.8 | 162.7 | 26.5 | 0 | 0 | 0 | 0 | 109 | A74 C78 | A74-T76 PolarHBondContact O-N 2.77Å; T76-C78 VanDerWaalsContact C-N 3.25Å; T76-C78 PolarHBondContact O-N 3.27Å | ||
| 77 | F | 43 | Very low | 45.2 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | trans | -75.8 | 80.8 | 164.7 | -112.5 | -96.9 | 0 | 0 | 0 | 109.2 | E75 L79 | E75-F77 PolarHBondContact O-N 2.84Å; F77-L79 HydrophobicContact CD1-CD1 3.47Å; F77-L79 VanDerWaalsContact CD1-CD1 3.47Å; F77-L79 HydrophobicContact CE1-CD1 3.41Å; F77-L79 VanDerWaalsContact CE1-CD1 3.41Å | ||
| 78 | C | 41.9 | Very low | 45.1 | Very low | 100 Ų | 100 | 137 Ų | 137 | 68% | 0.676 | 76% | 0.763 | S | S | * | * | trans | -89.2 | 98.8 | 155 | -69.4 | 0 | 0 | 0 | 0 | 106.2 | T76 E80 | T76-C78 VanDerWaalsContact C-N 3.25Å; T76-C78 PolarHBondContact O-N 3.27Å; C78-E80 VanDerWaalsContact C-N 3.27Å; C78-E80 PolarHBondContact O-N 3.41Å | ||
| 79 | L | 51 | Low | 45 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | trans | -75.6 | 89.6 | 167.1 | -126.8 | 99.6 | 0 | 0 | 0 | 107.5 | F77 D81 | F77-L79 HydrophobicContact CD1-CD1 3.47Å; F77-L79 VanDerWaalsContact CD1-CD1 3.47Å; F77-L79 HydrophobicContact CE1-CD1 3.41Å; F77-L79 VanDerWaalsContact CE1-CD1 3.41Å; L79-D81 PolarHBondContact O-N 3.36Å | ||
| 80 | E | 44 | Very low | 45 | Very low | 171 Ų | 171 | 134 Ų | 134 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -79.9 | 93.3 | 157.7 | -72.9 | 174.2 | 165.7 | 0 | 0 | 107.1 | C78 | C78-E80 VanDerWaalsContact C-N 3.27Å; C78-E80 PolarHBondContact O-N 3.41Å | ||
| 81 | D | 50.1 | Low | 45.2 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -89.3 | 108.6 | 162.1 | -86.3 | -22 | 0 | 0 | 0 | 108.9 | L79 | L79-D81 PolarHBondContact O-N 3.36Š| ||
| 82 | S | 47.1 | Very low | 45.3 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -52.7 | 147.5 | 178.5 | -74.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 83 | I | 42.5 | Very low | 44.9 | Very low | 163 Ų | 163 | 140 Ų | 140 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | -72.1 | 124.3 | 166.2 | -64.1 | 160.7 | 0 | 0 | 0 | 109.8 | ||||
| 84 | E | 51.8 | Low | 44.8 | Very low | 195 Ų | 195 | 140 Ų | 140 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | -132.4 | 118.3 | 146.9 | -73.2 | -175 | 166.9 | 0 | 0 | 104.3 | ||||
| 85 | G | 39.8 | Very low | 44.8 | Very low | 65 Ų | 65 | 142.3 Ų | 142.3 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | cis | 108.1 | 86 | 44.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 86 | K | 47.8 | Very low | 44.6 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | trans | -173.4 | 105.9 | 149.4 | -109.1 | 168.3 | -177.5 | 176.4 | 0 | 115 | ||||
| 87 | E | 44.1 | Very low | 44.1 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | 60.4 | 114.6 | 129.4 | -65.5 | 178 | 165.6 | 0 | 0 | 122.4 | |||||
| 88 | S | 45.5 | Very low | 44 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 69.3 | 108.7 | 135.8 | 62.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 89 | S | 45.9 | Very low | 44.1 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | 171 | 138.7 | 81.5 | 43.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 90 | N | 38.5 | Very low | 43.7 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -19.5 | 138.1 | 172.1 | -56.2 | -28.3 | 0 | 0 | 0 | 118.3 | ||||
| 91 | I | 47.6 | Very low | 43.7 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | -171 | 113.8 | 115.8 | -88.8 | 150.3 | 0 | 0 | 0 | 109.2 | |||||
| 92 | T | 43.6 | Very low | 43.3 | Very low | 131 Ų | 131 | 142 Ų | 142 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 28.4 | 122 | 150.3 | 7.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 93 | E | 41.1 | Very low | 43.1 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -56.3 | 136.1 | 156.5 | -64.1 | 169.9 | 139.5 | 0 | 0 | 111.9 | ||||
| 94 | E | 44.9 | Very low | 43 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -163.5 | 131.4 | 131.7 | -110.9 | 176.8 | -179 | 0 | 0 | 110.2 | ||||
| 95 | D | 41 | Very low | 42.8 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 81.2 | 100.1 | 151.1 | -60.3 | -19.1 | 0 | 0 | 0 | 122.8 | ||||
| 96 | A | 41.6 | Very low | 43.2 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | 83.4 | 96.7 | 113.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | L98 | A96-L98 PolarHBondContact O-N 3.38Š| |||
| 97 | S | 34.4 | Very low | 43.4 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | 33.3 | 91.2 | 127.3 | 63.9 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 98 | L | 39.2 | Very low | 43.8 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | -106.3 | 101.4 | 161.5 | -82.2 | 158.2 | 0 | 0 | 0 | 109.9 | A96 | A96-L98 PolarHBondContact O-N 3.38Š| ||
| 99 | S | 45 | Very low | 44.1 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -48.7 | 150.3 | 164.2 | 162.2 | 0 | 0 | 0 | 0 | 112.2 | Q101 | S99-Q101 PolarHBondContact O-N 2.84Š| ||
| 100 | P | 42.4 | Very low | 44.3 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -68 | 96.8 | 174 | 28.8 | -31.5 | 0 | 0 | 0 | 109.6 | Q102 | P100-Q102 PolarHBondContact O-N 3.47Å; P100-Q102 VanDerWaalsContact O-N 3.13Å | ||
| 101 | Q | 43.2 | Very low | 45.1 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | -65.4 | 113.1 | 169.4 | -72.5 | -175.3 | -9.2 | 0 | 0 | 108.9 | S99 I103 | S99-Q101 PolarHBondContact O-N 2.84Å; Q101-I103 PolarHBondContact O-N 3.29Å; Q101-I103 VanDerWaalsContact O-N 3.09Å | ||
| 102 | Q | 43 | Very low | 44.8 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | -52.3 | 112 | 160.6 | -68.5 | 170.4 | -19.4 | 0 | 0 | 107.9 | P100 A104 | P100-Q102 PolarHBondContact O-N 3.47Å; P100-Q102 VanDerWaalsContact O-N 3.13Å; Q102-A104 PolarHBondContact O-N 3.28Å | ||
| 103 | I | 41.6 | Very low | 45.1 | Very low | 109 Ų | 109 | 134 Ų | 134 | 56% | 0.559 | 76% | 0.758 | S | S | * | * | trans | -69.9 | 88 | 167.6 | -61.4 | 172.4 | 0 | 0 | 0 | 106 | Q101 V105 V351 | Q101-I103 PolarHBondContact O-N 3.29Å; Q101-I103 VanDerWaalsContact O-N 3.09Å; I103-V105 PolarHBondContact O-N 2.87Å; I103-V351 HydrophobicContact CD1-CG2 3.85Å | ||
| 104 | A | 40.7 | Very low | 45.5 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | trans | -67.9 | 108.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q102 V106 | Q102-A104 PolarHBondContact O-N 3.28Å; A104-V106 VanDerWaalsContact C-N 3.25Å; A104-V106 HydrophobicContact CB-CG2 4.45Å; A104-V106 PolarHBondContact O-N 3.42Å | ||
| 105 | V | 48.2 | Very low | 45.8 | Very low | 134 Ų | 134 | 133 Ų | 133 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -67.7 | 89.7 | 167.6 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | I103 K107 | I103-V105 PolarHBondContact O-N 2.87Å; V105-K107 PolarHBondContact O-N 3.25Å | ||
| 106 | V | 48.5 | Very low | 45.9 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | trans | -74.3 | 110.2 | 174 | -180 | 0 | 0 | 0 | 0 | 107.7 | A104 | A104-V106 VanDerWaalsContact C-N 3.25Å; A104-V106 HydrophobicContact CB-CG2 4.45Å; A104-V106 PolarHBondContact O-N 3.42Å | ||
| 107 | K | 52.1 | Low | 46.2 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 74% | 0.735 | 77% | 0.767 | S | S | * | * | trans | -56.3 | 126.5 | 169.3 | -175 | 176.6 | -177.9 | 175.8 | 0 | 108.3 | V105 T109 | V105-K107 PolarHBondContact O-N 3.25Å; K107-T109 PolarHBondContact O-N 2.84Å | ||
| 108 | P | 51.1 | Low | 47.2 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -66.3 | 105.1 | 173.2 | 25.5 | -29.8 | 0 | 0 | 0 | 108.3 | F110 | P108-F110 HydrophobicContact CB-CE2 4.27Å; P108-F110 HydrophobicContact CG-CE2 4.47Å; P108-F110 PolarHBondContact O-N 3.33Å | ||
| 109 | T | 52.8 | Low | 48.1 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -80 | 100.2 | 169.1 | -56.2 | 0 | 0 | 0 | 0 | 107.3 | K107 | K107-T109 PolarHBondContact O-N 2.84Š| ||
| 110 | F | 49.3 | Very low | 48.1 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -70.1 | 129 | 165.5 | -69.7 | -84.4 | 0 | 0 | 0 | 108.6 | P108 | P108-F110 HydrophobicContact CB-CE2 4.27Å; P108-F110 HydrophobicContact CG-CE2 4.47Å; P108-F110 PolarHBondContact O-N 3.33Å | ||
| 111 | P | 55.9 | Low | 49 | Very low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -66.9 | 139 | 174.1 | 26.6 | -30 | 0 | 0 | 0 | 110.2 | ||||
| 112 | G | 42.4 | Very low | 49.5 | Very low | 71 Ų | 71 | 141.9 Ų | 141.9 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | -26 | 119.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 113 | M | 48 | Very low | 50 | Low | 188 Ų | 188 | 140.4 Ų | 140.4 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | trans | -81.7 | 112.1 | 141.9 | -74.2 | -172.9 | 72.7 | 0 | 0 | 106.8 | ||||
| 114 | D | 50.8 | Low | 50.4 | Low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -56.8 | 140.9 | 172.4 | -77.2 | -43.3 | 0 | 0 | 0 | 110.9 | C116 | D114-C116 PolarHBondContact O-N 3.38Å; D114-C116 VanDerWaalsContact O-N 3.15Å | ||
| 115 | K | 50.1 | Low | 51 | Low | 194 Ų | 194 | 147 Ų | 147 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -51.3 | 112.6 | 179.7 | -62 | 169.7 | 179.4 | -178.6 | 0 | 110.3 | ||||
| 116 | C | 44.2 | Very low | 51.1 | Low | 116 Ų | 116 | 149.5 Ų | 149.5 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -87.8 | 100.1 | 153.9 | -71.2 | 0 | 0 | 0 | 0 | 107.1 | D114 I118 | D114-C116 PolarHBondContact O-N 3.38Å; D114-C116 VanDerWaalsContact O-N 3.15Å; C116-I118 PolarHBondContact O-N 2.83Å | ||
| 117 | E | 46.7 | Very low | 51.2 | Low | 182 Ų | 182 | 152.6 Ų | 152.6 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -62.4 | 110.7 | 160.6 | -76.6 | 172.5 | 164.6 | 0 | 0 | 107.8 | ||||
| 118 | I | 56.8 | Low | 51.4 | Low | 152 Ų | 152 | 150.7 Ų | 150.7 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -116.1 | 120.3 | 163 | -65.1 | 175.7 | 0 | 0 | 0 | 105.4 | C116 | C116-I118 PolarHBondContact O-N 2.83Š| ||
| 119 | N | 56.4 | Low | 51.5 | Low | 153 Ų | 153 | 152.9 Ų | 152.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -55.9 | 137.3 | -178.4 | -67.7 | -56.1 | 0 | 0 | 0 | 112.1 | ||||
| 120 | D | 46.5 | Very low | 51.3 | Low | 159 Ų | 159 | 153.9 Ų | 153.9 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -60.1 | 126.7 | 171.1 | -62.2 | -61.7 | 0 | 0 | 0 | 112.1 | ||||
| 121 | E | 60.9 | Low | 51.6 | Low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -134.6 | 125 | 137.4 | -86.5 | -149 | 158.7 | 0 | 0 | 108.4 | N123 | E121-N123 PolarHBondContact O-N 2.85Š| ||
| 122 | P | 54 | Low | 51.8 | Low | 119 Ų | 119 | 152.3 Ų | 152.3 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -86.3 | 105.8 | 175.9 | 32.9 | -27 | 0 | 0 | 0 | 108.9 | ||||
| 123 | N | 53.6 | Low | 52.5 | Low | 155 Ų | 155 | 155.3 Ų | 155.3 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -88.2 | 113.1 | 155.8 | -97.2 | -30.4 | 0 | 0 | 0 | 108 | E121 | E121-N123 PolarHBondContact O-N 2.85Š| ||
| 124 | E | 49.8 | Very low | 53.5 | Low | 172 Ų | 172 | 150.4 Ų | 150.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -64.9 | 163.6 | 165.2 | -59.4 | -153.5 | 163.9 | 0 | 0 | 110.5 | ||||
| 125 | D | 53.4 | Low | 54.6 | Low | 150 Ų | 150 | 146.2 Ų | 146.2 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 83.7 | 64.3 | -174.7 | -56.8 | -23.9 | 0 | 0 | 0 | 117.5 | ||||
| 126 | F | 49.3 | Very low | 55.8 | Low | 188 Ų | 188 | 140.5 Ų | 140.5 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -156.3 | 87.3 | 139.3 | -111.5 | -79.7 | 0 | 0 | 0 | 110.9 | I128 | F126-I128 HydrophobicContact CD1-CD1 4.19Å; F126-I128 HydrophobicContact CD1-CG1 3.86Å; F126-I128 PolarHBondContact O-N 2.87Å; F126-I128 VanDerWaalsContact O-N 3.09Å | ||
| 127 | M | 50.9 | Low | 57.5 | Low | 187 Ų | 187 | 140.3 Ų | 140.3 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -72.8 | 91.8 | 163.4 | -84.4 | -97.6 | 151.6 | 0 | 0 | 108.6 | ||||
| 128 | I | 55.4 | Low | 59 | Low | 129 Ų | 129 | 136.4 Ų | 136.4 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | trans | -89.5 | 107.1 | 164 | -58.6 | 179.4 | 0 | 0 | 0 | 106.7 | F126 N130 | F126-I128 HydrophobicContact CD1-CD1 4.19Å; F126-I128 HydrophobicContact CD1-CG1 3.86Å; F126-I128 PolarHBondContact O-N 2.87Å; F126-I128 VanDerWaalsContact O-N 3.09Å; I128-N130 PolarHBondContact O-N 2.7Å; I128-N130 VanDerWaalsContact O-N 3.12Å | ||
| 129 | N | 54.3 | Low | 59.7 | Low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -53.9 | 115.9 | 168.8 | -81.4 | -22.2 | 0 | 0 | 0 | 109.1 | D131 | N129-D131 PolarHBondContact O-N 3.35Š| ||
| 130 | N | 49.3 | Very low | 60.6 | Low | 147 Ų | 147 | 131.6 Ų | 131.6 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -88.6 | 27.5 | -170 | -144.7 | 11.7 | 0 | 0 | 0 | 113.3 | I128 | I128-N130 PolarHBondContact O-N 2.7Å; I128-N130 VanDerWaalsContact O-N 3.12Å | ||
| 131 | D | 54.1 | Low | 62.2 | Low | 159 Ų | 159 | 129.9 Ų | 129.9 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | trans | -112 | 55.3 | -174.5 | -68.4 | -23.2 | 0 | 0 | 0 | 112 | N129 | N129-D131 PolarHBondContact O-N 3.35Š| ||
| 132 | C | 59.9 | Low | 63 | Low | 105 Ų | 105 | 124.1 Ų | 124.1 | 71% | 0.709 | 69% | 0.691 | S | S | * | * | trans | -166.5 | 97.8 | 152.9 | -147.3 | 0 | 0 | 0 | 0 | 110.4 | T134 | C132-T134 VanDerWaalsContact C-N 3.28Å; C132-T134 PolarHBondContact O-N 3.3Å | ||
| 133 | C | 58.8 | Low | 64.2 | Low | 135 Ų | 135 | 124.5 Ų | 124.5 | 91% | 0.912 | 69% | 0.691 | S | S | * | * | trans | -70.2 | 87.2 | 165.2 | -66.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 134 | T | 68.4 | Low | 65.3 | Low | 85 Ų | 85 | 120.4 Ų | 120.4 | 52% | 0.521 | 67% | 0.674 | S | S | . | * | trans | -73.4 | 131.8 | 166.5 | 47 | 0 | 0 | 0 | 0 | 109.5 | C132 | C132-T134 VanDerWaalsContact C-N 3.28Å; C132-T134 PolarHBondContact O-N 3.3Å | ||
| 135 | S | 74.1 | Confident | 66.6 | Low | 64 Ų | 64 | 113.1 Ų | 113.1 | 45% | 0.448 | 64% | 0.643 | S | S | . | * | trans | -53.9 | 139.9 | 174.9 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | L137 D138 V139 | S135-L137 PolarHBondContact O-N 2.87Å; S135-L137 WeakPolarHBondContact OG-CB 3.03Å; S135-L137 PolarHBondContact OG-N 3.5Å; S135-D138 WeakPolarHBondContact O-CB 3.45Å; S135-D138 PolarHBondContact O-N 3.35Å; S135-V139 PolarHBondContact O-N 3.26Å | ||
| 136 | A | 74.5 | Confident | 67.6 | Low | 74 Ų | 74 | 112.2 Ų | 112.2 | 61% | 0.612 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -54 | -26.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L140 | A136-L140 WeakPolarHBondContact O-CG 3.48Å; A136-L140 PolarHBondContact O-N 2.82Å; A136-L140 VanDerWaalsContact O-N 3.12Å |
| 137 | L | 80.3 | Confident | 69 | Low | 112 Ų | 112 | 109 Ų | 109 | 59% | 0.586 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.8 | -36.4 | 175.1 | -162.8 | 69.8 | 0 | 0 | 0 | 112.6 | S135 L140 N141 | S135-L137 PolarHBondContact O-N 2.87Å; S135-L137 WeakPolarHBondContact OG-CB 3.03Å; S135-L137 PolarHBondContact OG-N 3.5Å; L137-L140 PolarHBondContact O-N 3.38Å; L137-N141 WeakPolarHBondContact O-CB 3.3Å; L137-N141 PolarHBondContact O-N 2.89Å; L137-N141 PolarHBondContact O-ND2 3.19Å |
| 138 | D | 78 | Confident | 70.3 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 54% | 0.535 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -73.1 | -34.4 | 178.1 | -63.6 | -30.8 | 0 | 0 | 0 | 111.2 | S135 S142 | S135-D138 WeakPolarHBondContact O-CB 3.45Å; S135-D138 PolarHBondContact O-N 3.35Å; D138-S142 PolarHBondContact O-N 2.87Å |
| 139 | V | 72.3 | Confident | 71.2 | Confident | 76 Ų | 76 | 105.2 Ų | 105.2 | 46% | 0.461 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.6 | -41.3 | 173.9 | 180 | 0 | 0 | 0 | 0 | 110.7 | S135 A145 | S135-V139 PolarHBondContact O-N 3.26Å; V139-A145 VanDerWaalsContact O-CB 3.26Å; V139-A145 WeakPolarHBondContact O-CB 3.39Å |
| 140 | L | 74.9 | Confident | 72.4 | Confident | 128 Ų | 128 | 102.1 Ų | 102.1 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -77.5 | -25.8 | -179.2 | -70 | 172.2 | 0 | 0 | 0 | 114 | A136 L137 | A136-L140 WeakPolarHBondContact O-CG 3.48Å; A136-L140 PolarHBondContact O-N 2.82Å; A136-L140 VanDerWaalsContact O-N 3.12Å; L137-L140 PolarHBondContact O-N 3.38Å |
| 141 | N | 80.1 | Confident | 73.8 | Confident | 122 Ų | 122 | 101.7 Ų | 101.7 | 65% | 0.652 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -86.5 | -12.7 | 177.6 | -75 | -25 | 0 | 0 | 0 | 113.8 | L137 T143 | L137-N141 WeakPolarHBondContact O-CB 3.3Å; L137-N141 PolarHBondContact O-N 2.89Å; L137-N141 PolarHBondContact O-ND2 3.19Å; N141-T143 PolarHBondContact O-N 3.35Å |
| 142 | S | 77 | Confident | 74.8 | Confident | 56 Ų | 56 | 96.9 Ų | 96.9 | 39% | 0.392 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -68.1 | 129.3 | 173.7 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | D138 C144 A145 | D138-S142 PolarHBondContact O-N 2.87Å; S142-C144 PolarHBondContact O-N 2.85Å; S142-C144 PolarHBondContact OG-N 2.9Å; S142-A145 VanDerWaalsContact O-CB 3.27Å; S142-A145 WeakPolarHBondContact O-CB 3.39Å; S142-A145 PolarHBondContact O-N 3.38Å |
| 143 | T | 79.9 | Confident | 75.4 | Confident | 126 Ų | 126 | 95.9 Ų | 95.9 | 77% | 0.773 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -24.1 | 174.9 | -42.3 | 0 | 0 | 0 | 0 | 112.2 | N141 A145 | N141-T143 PolarHBondContact O-N 3.35Å; T143-A145 VanDerWaalsContact C-N 3.31Å; T143-A145 PolarHBondContact O-N 2.87Å |
| 144 | C | 77.7 | Confident | 76.1 | Confident | 70 Ų | 70 | 96.3 Ų | 96.3 | 47% | 0.473 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.2 | -19 | 174.5 | -76 | 0 | 0 | 0 | 0 | 114.4 | S142 L146 E147 L148 | S142-C144 PolarHBondContact O-N 2.85Å; S142-C144 PolarHBondContact OG-N 2.9Å; C144-L146 VanDerWaalsContact C-N 3.28Å; C144-L146 PolarHBondContact O-N 3.26Å; C144-E147 PolarHBondContact O-N 2.7Å; C144-L148 PolarHBondContact O-N 3.21Å |
| 145 | A | 75.2 | Confident | 75.8 | Confident | 18 Ų | 18 | 96.9 Ų | 96.9 | 15% | 0.149 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -63.7 | -36.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V139 S142 T143 L148 L149 | V139-A145 VanDerWaalsContact O-CB 3.26Å; V139-A145 WeakPolarHBondContact O-CB 3.39Å; S142-A145 VanDerWaalsContact O-CB 3.27Å; S142-A145 WeakPolarHBondContact O-CB 3.39Å; S142-A145 PolarHBondContact O-N 3.38Å; T143-A145 VanDerWaalsContact C-N 3.31Å; T143-A145 PolarHBondContact O-N 2.87Å; A145-L148 PolarHBondContact O-N 3.45Å; A145-L149 PolarHBondContact O-N 2.91Å |
| 146 | L | 75.2 | Confident | 74.9 | Confident | 132 Ų | 132 | 97.2 Ų | 97.2 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.6 | -37 | 175.3 | -69.9 | 175.1 | 0 | 0 | 0 | 111.8 | C144 L149 D150 | C144-L146 VanDerWaalsContact C-N 3.28Å; C144-L146 PolarHBondContact O-N 3.26Å; L146-L149 PolarHBondContact O-N 3.42Å; L146-D150 WeakPolarHBondContact O-CB 3.39Å; L146-D150 PolarHBondContact O-N 3.49Å |
| 147 | E | 79.5 | Confident | 73.9 | Confident | 121 Ų | 121 | 98.7 Ų | 98.7 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.6 | -34.7 | 174.4 | -71.2 | -165.8 | 171 | 0 | 0 | 112.6 | C144 D150 K151 | C144-E147 PolarHBondContact O-N 2.7Å; E147-D150 PolarHBondContact O-N 3.5Å; E147-K151 WeakPolarHBondContact O-CB 3.25Å; E147-K151 PolarHBondContact O-N 3.27Å |
| 148 | L | 78.1 | Confident | 72.7 | Confident | 118 Ų | 118 | 96.7 Ų | 96.7 | 62% | 0.618 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.7 | -40.5 | 174.6 | -80.6 | 165.1 | 0 | 0 | 0 | 111.6 | C144 A145 K151 A152 | C144-L148 PolarHBondContact O-N 3.21Å; A145-L148 PolarHBondContact O-N 3.45Å; L148-K151 PolarHBondContact O-N 3.32Å; L148-A152 WeakPolarHBondContact O-CB 3.29Å; L148-A152 PolarHBondContact O-N 3.45Å |
| 149 | L | 74.1 | Confident | 71.4 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 61% | 0.613 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.3 | -39 | 173 | -86.7 | 162.4 | 0 | 0 | 0 | 112.5 | A145 L146 A152 S153 | A145-L149 PolarHBondContact O-N 2.91Å; L146-L149 PolarHBondContact O-N 3.42Å; L149-A152 PolarHBondContact O-N 2.99Å; L149-S153 WeakPolarHBondContact O-CB 3.3Å; L149-S153 PolarHBondContact O-N 3.47Å |
| 150 | D | 78.9 | Confident | 70 | Confident | 79 Ų | 79 | 99 Ų | 99 | 42% | 0.422 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.8 | -37.1 | 176.4 | -169.4 | 49.7 | 0 | 0 | 0 | 111.8 | L146 E147 S153 K154 | L146-D150 WeakPolarHBondContact O-CB 3.39Å; L146-D150 PolarHBondContact O-N 3.49Å; E147-D150 PolarHBondContact O-N 3.5Å; D150-S153 PolarHBondContact O-N 3.12Å; D150-K154 WeakPolarHBondContact O-CB 3.43Å; D150-K154 VanDerWaalsContact O-CG 3.28Å; D150-K154 WeakPolarHBondContact O-CG 3.36Å; D150-K154 PolarHBondContact O-N 2.84Å; D150-K154 IonicContact OD1-NZ 2.65Å; D150-K154 VanDerWaalsContact OD2-CE 3.28Å; D150-K154 WeakPolarHBondContact OD2-CE 3.34Å; D150-K154 IonicContact OD2-NZ 2.7Å; D150-K154 PolarHBondContact OD2-NZ 2.94Å |
| 151 | K | 79.6 | Confident | 68.4 | Low | 139 Ų | 139 | 102.1 Ų | 102.1 | 60% | 0.604 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.6 | -41.6 | 171.2 | -85.3 | 174.6 | 177.3 | 167.9 | 0 | 112.3 | E147 L148 S153 K154 S155 | E147-K151 WeakPolarHBondContact O-CB 3.25Å; E147-K151 PolarHBondContact O-N 3.27Å; L148-K151 PolarHBondContact O-N 3.32Å; K151-S153 VanDerWaalsContact C-N 3.31Å; K151-S153 PolarHBondContact O-N 2.92Å; K151-K154 PolarHBondContact O-N 2.97Å; K151-K154 VanDerWaalsContact O-N 3.16Å; K151-S155 PolarHBondContact O-N 3.29Å; K151-S155 PolarHBondContact O-OG 3.29Å |
| 152 | A | 74.1 | Confident | 66.9 | Low | 58 Ų | 58 | 101.5 Ų | 101.5 | 48% | 0.479 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.7 | -34.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L148 L149 K154 S155 | L148-A152 WeakPolarHBondContact O-CB 3.29Å; L148-A152 PolarHBondContact O-N 3.45Å; L149-A152 PolarHBondContact O-N 2.99Å; A152-K154 VanDerWaalsContact C-N 3.33Å; A152-S155 PolarHBondContact O-OG 2.93Å |
| 153 | S | 72.9 | Confident | 65.7 | Low | 84 Ų | 84 | 109 Ų | 109 | 59% | 0.587 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.4 | -26.9 | 173.1 | -171.2 | 0 | 0 | 0 | 0 | 113 | L149 D150 K151 S156 | L149-S153 WeakPolarHBondContact O-CB 3.3Å; L149-S153 PolarHBondContact O-N 3.47Å; D150-S153 PolarHBondContact O-N 3.12Å; K151-S153 VanDerWaalsContact C-N 3.31Å; K151-S153 PolarHBondContact O-N 2.92Å; S153-S156 PolarHBondContact O-OG 3.25Å |
| 154 | K | 74 | Confident | 64.4 | Low | 143 Ų | 143 | 110.1 Ų | 110.1 | 62% | 0.622 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -84.1 | -25.2 | 178 | -76.1 | 168.6 | 178.4 | 166.4 | 0 | 113.3 | D150 K151 A152 S156 | D150-K154 WeakPolarHBondContact O-CB 3.43Å; D150-K154 VanDerWaalsContact O-CG 3.28Å; D150-K154 WeakPolarHBondContact O-CG 3.36Å; D150-K154 PolarHBondContact O-N 2.84Å; D150-K154 IonicContact OD1-NZ 2.65Å; D150-K154 VanDerWaalsContact OD2-CE 3.28Å; D150-K154 WeakPolarHBondContact OD2-CE 3.34Å; D150-K154 IonicContact OD2-NZ 2.7Å; D150-K154 PolarHBondContact OD2-NZ 2.94Å; K151-K154 PolarHBondContact O-N 2.97Å; K151-K154 VanDerWaalsContact O-N 3.16Å; A152-K154 VanDerWaalsContact C-N 3.33Å; K154-S156 VanDerWaalsContact C-N 3.34Å |
| 155 | S | 61.9 | Low | 63.4 | Low | 97 Ų | 97 | 111.6 Ų | 111.6 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.4 | -14 | 178.4 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | K151 A152 A157 | K151-S155 PolarHBondContact O-N 3.29Å; K151-S155 PolarHBondContact O-OG 3.29Å; A152-S155 PolarHBondContact O-OG 2.93Å; S155-A157 VanDerWaalsContact C-N 3.28Å; S155-A157 PolarHBondContact O-N 2.84Å; S155-A157 VanDerWaalsContact O-N 3.1Å |
| 156 | S | 54 | Low | 62.3 | Low | 72 Ų | 72 | 123.1 Ų | 123.1 | 50% | 0.503 | 69% | 0.689 | S | S | . | * | trans | -85.1 | 66.6 | 171.1 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | S153 K154 G158 | S153-S156 PolarHBondContact O-OG 3.25Å; K154-S156 VanDerWaalsContact C-N 3.34Å; S156-G158 PolarHBondContact O-N 3.18Å | ||
| 157 | A | 55 | Low | 61.1 | Low | 104 Ų | 104 | 125 Ų | 125 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 18.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S155 | S155-A157 VanDerWaalsContact C-N 3.28Å; S155-A157 PolarHBondContact O-N 2.84Å; S155-A157 VanDerWaalsContact O-N 3.1Å |
| 158 | G | 53.7 | Low | 59.6 | Low | 71 Ų | 71 | 122.7 Ų | 122.7 | 73% | 0.732 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -6 | -173 | 0 | 0 | 0 | 0 | 0 | 116.7 | S156 | S156-G158 PolarHBondContact O-N 3.18Š|
| 159 | L | 50.5 | Low | 58.4 | Low | 161 Ų | 161 | 123.8 Ų | 123.8 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | -116.1 | 100.8 | 178 | -85.7 | 111.4 | 0 | 0 | 0 | 111.2 | ||||
| 160 | G | 44.2 | Very low | 57.3 | Low | 62 Ų | 62 | 125.5 Ų | 125.5 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | trans | -63.1 | 137.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 161 | H | 41.4 | Very low | 56.2 | Low | 195 Ų | 195 | 130 Ų | 130 | 90% | 0.903 | 72% | 0.721 | S | S | * | * | trans | 56.5 | 75.9 | 146.8 | -50.1 | -62 | 0 | 0 | 0 | 118.5 | ||||
| 162 | S | 48.8 | Very low | 55.3 | Low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | -133.5 | 88 | 144.2 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | L164 | S162-L164 VanDerWaalsContact C-N 3.25Å; S162-L164 PolarHBondContact O-N 3.26Å | ||
| 163 | K | 51 | Low | 54.3 | Low | 212 Ų | 212 | 137.6 Ų | 137.6 | 92% | 0.922 | 74% | 0.744 | S | S | * | * | trans | -72.7 | 83.1 | 161.8 | -76.9 | -179.4 | 177.4 | 177.6 | 0 | 108 | ||||
| 164 | L | 53.5 | Low | 53.5 | Low | 150 Ų | 150 | 137.1 Ų | 137.1 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -98.2 | 111.8 | 161.1 | -82.2 | 168.1 | 0 | 0 | 0 | 108.1 | S162 R166 | S162-L164 VanDerWaalsContact C-N 3.25Å; S162-L164 PolarHBondContact O-N 3.26Å; L164-R166 PolarHBondContact O-N 3.02Å | ||
| 165 | P | 55.9 | Low | 53 | Low | 102 Ų | 102 | 135.1 Ų | 135.1 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | trans | -61.9 | 126.9 | 171.3 | 26.2 | -30.1 | 0 | 0 | 0 | 107.7 | Q167 | P165-Q167 PolarHBondContact O-N 3.5Š| ||
| 166 | R | 51.6 | Low | 53.1 | Low | 260 Ų | 260 | 137.7 Ų | 137.7 | 98% | 0.981 | 74% | 0.742 | S | S | * | * | trans | -63.9 | 76.9 | 170.7 | -74.1 | 178.5 | 165.2 | -177.5 | -4.1 | 109.3 | L164 | L164-R166 PolarHBondContact O-N 3.02Š| ||
| 167 | Q | 50.6 | Low | 53.2 | Low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -95.1 | 108 | 160 | -78.1 | -173.8 | -12.9 | 0 | 0 | 107.5 | P165 I169 | P165-Q167 PolarHBondContact O-N 3.5Å; Q167-I169 PolarHBondContact O-N 3.4Å | ||
| 168 | S | 47.7 | Very low | 53 | Low | 72 Ų | 72 | 145 Ų | 145 | 50% | 0.503 | 75% | 0.748 | S | S | . | * | trans | 10.5 | 96.5 | 160.4 | -167.6 | 0 | 0 | 0 | 0 | 116.4 | L170 F171 | S168-L170 PolarHBondContact O-N 2.93Å; S168-L170 PolarHBondContact OG-N 2.83Å; S168-F171 PolarHBondContact O-N 2.88Å | ||
| 169 | I | 52.9 | Low | 52.6 | Low | 141 Ų | 141 | 149 Ų | 149 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -63.9 | -12.9 | 163.3 | -65.3 | 168.6 | 0 | 0 | 0 | 110.7 | Q167 F171 | Q167-I169 PolarHBondContact O-N 3.4Å; I169-F171 PolarHBondContact O-N 3.31Å |
| 170 | L | 51.5 | Low | 52.8 | Low | 152 Ų | 152 | 147.5 Ų | 147.5 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -74.9 | -16.4 | 177.2 | -100.7 | 89 | 0 | 0 | 0 | 114.8 | S168 | S168-L170 PolarHBondContact O-N 2.93Å; S168-L170 PolarHBondContact OG-N 2.83Å |
| 171 | F | 56.1 | Low | 52.7 | Low | 173 Ų | 173 | 156 Ų | 156 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -85 | -10.9 | -178.4 | -123.5 | -86.3 | 0 | 0 | 0 | 114.1 | S168 I169 | S168-F171 PolarHBondContact O-N 2.88Å; I169-F171 PolarHBondContact O-N 3.31Å |
| 172 | K | 60.1 | Low | 52.8 | Low | 189 Ų | 189 | 152.1 Ų | 152.1 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -97.1 | -2 | -174.7 | -135.2 | 173 | -175.4 | -179.7 | 0 | 114.1 | ||
| 173 | F | 52.1 | Low | 52.3 | Low | 168 Ų | 168 | 152.1 Ų | 152.1 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | trans | -127 | 15.5 | -173.9 | -74.4 | -77.5 | 0 | 0 | 0 | 114 | P175 | F173-P175 VanDerWaalsContact O-CD 3.23Å; F173-P175 WeakPolarHBondContact O-CD 3.45Å | ||
| 174 | D | 57.3 | Low | 51.9 | Low | 75 Ų | 75 | 151.3 Ų | 151.3 | 40% | 0.401 | 75% | 0.754 | S | S | . | * | trans | -85.2 | 108.9 | 173.9 | -160.3 | -18.7 | 0 | 0 | 0 | 110.4 | L176 F177 | D174-L176 PolarHBondContact O-N 3.22Å; D174-L176 VanDerWaalsContact O-N 3.12Å; D174-L176 PolarHBondContact OD1-N 3.43Å; D174-F177 HydrophobicContact CB-CD2 4.08Å; D174-F177 WeakPolarHBondContact OD2-CE2 3.4Å | ||
| 175 | P | 62.8 | Low | 51.4 | Low | 101 Ų | 101 | 152.4 Ų | 152.4 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -70.8 | -4 | -177 | -7.7 | 25 | 0 | 0 | 0 | 113 | F173 | F173-P175 VanDerWaalsContact O-CD 3.23Å; F173-P175 WeakPolarHBondContact O-CD 3.45Å |
| 176 | L | 63.5 | Low | 50.5 | Low | 151 Ų | 151 | 152.5 Ų | 152.5 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -92.4 | -1.4 | -175.1 | -62.3 | 177 | 0 | 0 | 0 | 114.5 | D174 | D174-L176 PolarHBondContact O-N 3.22Å; D174-L176 VanDerWaalsContact O-N 3.12Å; D174-L176 PolarHBondContact OD1-N 3.43Å |
| 177 | F | 57.2 | Low | 49.8 | Very low | 156 Ų | 156 | 149 Ų | 149 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -110.4 | 14.7 | 178.7 | -71.3 | -79.7 | 0 | 0 | 0 | 114.7 | D174 N179 | D174-F177 HydrophobicContact CB-CD2 4.08Å; D174-F177 WeakPolarHBondContact OD2-CE2 3.4Å; F177-N179 VanDerWaalsContact C-N 3.32Å; F177-N179 PolarHBondContact O-N 2.9Å |
| 178 | Q | 51.3 | Low | 49.3 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -80.6 | 0.4 | -179.3 | -85.6 | -177.6 | 0.9 | 0 | 0 | 115.9 | ||||
| 179 | N | 45.3 | Very low | 48.9 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -99.9 | 100.5 | 169.9 | -95.4 | -20.2 | 0 | 0 | 0 | 109.2 | F177 | F177-N179 VanDerWaalsContact C-N 3.32Å; F177-N179 PolarHBondContact O-N 2.9Å | ||
| 180 | V | 53.3 | Low | 48.4 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 157 | 110.5 | 147.6 | 165.3 | 0 | 0 | 0 | 0 | 108 | ||
| 181 | R | 43.3 | Very low | 47.9 | Very low | 241 Ų | 241 | 154 Ų | 154 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | 83.3 | 96.2 | 175 | -58.7 | 171.1 | 176 | 175.2 | -1.4 | 116.4 | ||||
| 182 | S | 42.3 | Very low | 47.3 | Very low | 113 Ų | 113 | 154.4 Ų | 154.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | -176 | 114.9 | 95.1 | -151.9 | 0 | 0 | 0 | 0 | 109.5 | F184 | S182-F184 PolarHBondContact O-N 3.5Š| |||
| 183 | S | 39.4 | Very low | 46.2 | Very low | 109 Ų | 109 | 153.6 Ų | 153.6 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -71.6 | 96.5 | 174.6 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 184 | F | 42.1 | Very low | 45.6 | Very low | 195 Ų | 195 | 151.5 Ų | 151.5 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -163 | 135.3 | 156.5 | -100 | -82.3 | 0 | 0 | 0 | 104.4 | S182 | S182-F184 PolarHBondContact O-N 3.5Š| ||
| 185 | I | 43.8 | Very low | 44.8 | Very low | 173 Ų | 173 | 156.2 Ų | 156.2 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 86.7 | 50.6 | -172.6 | -38.7 | 162 | 0 | 0 | 0 | 114 | ||
| 186 | A | 35.6 | Very low | 43.5 | Very low | 105 Ų | 105 | 157 Ų | 157 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -136.6 | 61.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 187 | E | 38.8 | Very low | 42.1 | Very low | 185 Ų | 185 | 155.5 Ų | 155.5 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -160.8 | 67.4 | 174.8 | -161.2 | 167.2 | -158.1 | 0 | 0 | 109.8 | ||||
| 188 | L | 39.9 | Very low | 41.3 | Very low | 175 Ų | 175 | 154.5 Ų | 154.5 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -153.3 | 22.5 | 173.3 | -115.1 | 153.7 | 0 | 0 | 0 | 114.1 | ||
| 189 | A | 39 | Very low | 40.8 | Very low | 92 Ų | 92 | 149.4 Ų | 149.4 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -146.7 | 77.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 190 | E | 41 | Very low | 40.4 | Very low | 197 Ų | 197 | 150 Ų | 150 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | 165.9 | 89.8 | 153.9 | -95.6 | 172.8 | -170.2 | 0 | 0 | 109.2 | ||||
| 191 | L | 42.3 | Very low | 40 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | trans | -151.2 | 101.3 | 149.5 | -109.8 | 167.3 | 0 | 0 | 0 | 108.7 | ||||
| 192 | K | 43.1 | Very low | 39.9 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 79% | 0.787 | 82% | 0.821 | S | S | * | * | trans | -67.2 | 140.1 | 167.1 | -71.4 | 170.7 | 171 | 173.3 | 0 | 109.2 | ||||
| 193 | E | 36.8 | Very low | 39.9 | Very low | 172 Ų | 172 | 152.5 Ų | 152.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | 48.7 | 96.7 | 124.7 | -158.4 | 170.9 | -161.8 | 0 | 0 | 116.4 | |||||
| 194 | T | 40.4 | Very low | 39.9 | Very low | 125 Ų | 125 | 154.4 Ų | 154.4 | 77% | 0.767 | 83% | 0.831 | S | S | * | * | trans | 168.7 | 137.9 | 134.6 | 30.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 195 | Q | 40.3 | Very low | 39.8 | Very low | 173 Ų | 173 | 149.4 Ų | 149.4 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | trans | 67.6 | 147.1 | 158 | -77.1 | -174.1 | -59.2 | 0 | 0 | 117.5 | ||||
| 196 | D | 35.2 | Very low | 40 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | cis | -174.6 | 139.4 | -13 | -124 | -31.7 | 0 | 0 | 0 | 102.1 | ||||
| 197 | V | 34.2 | Very low | 40.3 | Very low | 119 Ų | 119 | 149 Ų | 149 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | 41.5 | 106.9 | 148.3 | -169 | 0 | 0 | 0 | 0 | 119.6 | A199 | V197-A199 HydrophobicContact CG1-CB 4.36Š| ||
| 198 | C | 39.8 | Very low | 41.1 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | -113.7 | 87.6 | 145 | -69 | 0 | 0 | 0 | 0 | 107 | ||||
| 199 | A | 41.9 | Very low | 41.2 | Very low | 67 Ų | 67 | 143.2 Ų | 143.2 | 55% | 0.554 | 81% | 0.807 | S | S | * | * | 49 | 88.1 | 82.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V197 | V197-A199 HydrophobicContact CG1-CB 4.36Š| |||
| 200 | N | 35.9 | Very low | 41.1 | Very low | 168 Ų | 168 | 146 Ų | 146 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | 37.6 | 86.9 | 73.4 | -71.6 | -9.4 | 0 | 0 | 0 | 113.2 | |||||
| 201 | M | 44.3 | Very low | 41.2 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | -146.1 | 87 | 164.5 | -77.7 | -174.6 | 78.4 | 0 | 0 | 109.6 | ||||
| 202 | E | 42.9 | Very low | 40.9 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -149.1 | 133 | 155 | -106.5 | 172.1 | 176.4 | 0 | 0 | 106.7 | ||
| 203 | D | 40.2 | Very low | 40.8 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | 72.8 | 80 | 177.1 | -67.3 | -21.2 | 0 | 0 | 0 | 120.2 | ||||
| 204 | V | 40.1 | Very low | 40.6 | Very low | 149 Ų | 149 | 140 Ų | 140 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | -141.2 | 108.9 | 148.2 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 205 | A | 39.8 | Very low | 40.7 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -156.6 | 100.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 206 | L | 47.6 | Very low | 40.4 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 73.9 | 114.1 | 142.6 | -69.7 | 146.1 | 0 | 0 | 0 | 121.2 | ||||
| 207 | P | 43 | Very low | 40.5 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -94.7 | 163.2 | 149.4 | 37.2 | -27.7 | 0 | 0 | 0 | 110.9 | ||||
| 208 | P | 55 | Low | 40.3 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -120 | 119.7 | 147.3 | 31.6 | -18.9 | 0 | 0 | 0 | 110.4 | ||||
| 209 | S | 41.8 | Very low | 39.9 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -82.5 | 146.5 | 164.2 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 210 | D | 37.8 | Very low | 39.6 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -55.1 | 173.7 | 174 | -51.7 | -72.5 | 0 | 0 | 0 | 113.8 | ||||
| 211 | P | 43.5 | Very low | 39.4 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | -145.1 | 151.2 | 82.9 | 33 | -13.2 | 0 | 0 | 0 | 116.3 | |||||
| 212 | E | 35.4 | Very low | 39 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -16.7 | 136.8 | 142.4 | -54.8 | 177.7 | 143.2 | 0 | 0 | 116.1 | ||||
| 213 | Q | 41.1 | Very low | 38.7 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | -175.3 | 108.7 | 128.1 | -100.9 | 170.1 | 6.3 | 0 | 0 | 109 | |||||
| 214 | N | 32.5 | Very low | 38.4 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | 81.7 | 149.1 | 74.7 | -150.5 | 7.2 | 0 | 0 | 0 | 113 | |||||
| 215 | H | 43 | Very low | 38.4 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | 98 | 100.4 | 175.6 | -48.4 | -55.8 | 0 | 0 | 0 | 115.7 | ||||
| 216 | H | 33.2 | Very low | 38.1 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | 87.1 | 114 | 66.9 | -89.7 | -37.2 | 0 | 0 | 0 | 114.1 | |||||
| 217 | S | 36.5 | Very low | 37.7 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 153.8 | 109.6 | 138.3 | -77.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 218 | T | 30 | Very low | 37.5 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | cis | 53.3 | 106.1 | 41.9 | -25.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 219 | G | 33.2 | Very low | 36.9 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 159.4 | 87.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 220 | A | 35.1 | Very low | 37.2 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | 82.3 | 110.6 | 94.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 221 | D | 32 | Very low | 37.9 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | 68.5 | 137.4 | 103.4 | -74.4 | -25.8 | 0 | 0 | 0 | 111.2 | |||||
| 222 | S | 34.7 | Very low | 38.5 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | cis | 175.6 | 172 | 4.3 | 48.2 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 223 | S | 36.7 | Very low | 39.9 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | trans | 65.7 | 101.9 | 144.3 | -172.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 224 | E | 34.3 | Very low | 41.1 | Very low | 183 Ų | 183 | 125 Ų | 125 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | 51.7 | 103.9 | 96.7 | -74 | -172.7 | 156.1 | 0 | 0 | 113.6 | |||||
| 225 | E | 39.5 | Very low | 42.8 | Very low | 201 Ų | 201 | 124.1 Ų | 124.1 | 94% | 0.939 | 73% | 0.734 | S | S | * | * | trans | -134.8 | 123.6 | 146.8 | -83.2 | -158.8 | 161 | 0 | 0 | 110.8 | ||||
| 226 | A | 34.3 | Very low | 44.4 | Very low | 87 Ų | 87 | 121.3 Ų | 121.3 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | trans | -76.8 | 169.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 227 | S | 39.6 | Very low | 46.7 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | trans | 78.5 | 80.9 | 155.9 | -56.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 228 | I | 38.6 | Very low | 48.9 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | 68.1 | 98.3 | 82.9 | -57.3 | 164.4 | 0 | 0 | 0 | 112.2 | |||||
| 229 | S | 41.2 | Very low | 51.4 | Low | 104 Ų | 104 | 122 Ų | 122 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 84.6 | 66.2 | 136.4 | -172.9 | 0 | 0 | 0 | 0 | 119.9 | ||
| 230 | E | 48.7 | Very low | 54 | Low | 201 Ų | 201 | 125.2 Ų | 125.2 | 94% | 0.939 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -160.9 | 4.5 | 145.4 | -116.8 | 166.4 | -171.1 | 0 | 0 | 115.9 | ||
| 231 | T | 53.2 | Low | 56.4 | Low | 96 Ų | 96 | 127.5 Ų | 127.5 | 59% | 0.589 | 69% | 0.692 | S | S | * | * | trans | -94.9 | 6 | -169.1 | 21.3 | 0 | 0 | 0 | 0 | 116.8 | S233 M235 | T231-S233 PolarHBondContact O-N 3.25Å; T231-M235 WeakPolarHBondContact O-CB 3.42Å; T231-M235 PolarHBondContact O-N 3.3Å | ||
| 232 | S | 55.2 | Low | 59 | Low | 88 Ų | 88 | 125.9 Ų | 125.9 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -67.2 | -37 | -163.7 | -167.9 | 0 | 0 | 0 | 0 | 114.6 | I236 | S232-I236 WeakPolarHBondContact O-CD1 3.3Å; S232-I236 WeakPolarHBondContact O-CG1 3.41Å; S232-I236 PolarHBondContact O-N 2.9Å |
| 233 | S | 64.8 | Low | 61.6 | Low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -79.9 | -45.8 | -173 | -167.3 | 0 | 0 | 0 | 0 | 114.3 | T231 M235 I236 K237 | T231-S233 PolarHBondContact O-N 3.25Å; S233-M235 VanDerWaalsContact C-N 3.32Å; S233-M235 PolarHBondContact O-N 2.89Å; S233-I236 WeakPolarHBondContact O-CB 3.36Å; S233-I236 PolarHBondContact O-N 3.31Å; S233-K237 PolarHBondContact O-N 2.88Å; S233-K237 VanDerWaalsContact O-N 3.1Å |
| 234 | D | 67.4 | Low | 64.1 | Low | 133 Ų | 133 | 129.4 Ų | 129.4 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.4 | -33.4 | 176.3 | -87.7 | -20.6 | 0 | 0 | 0 | 112 | I236 K237 K238 | D234-I236 VanDerWaalsContact C-N 3.31Å; D234-I236 PolarHBondContact O-N 3.19Å; D234-K237 PolarHBondContact O-N 3.32Å; D234-K238 WeakPolarHBondContact O-CB 3.32Å; D234-K238 PolarHBondContact O-N 2.89Å |
| 235 | M | 67.1 | Low | 66.8 | Low | 105 Ų | 105 | 125.9 Ų | 125.9 | 52% | 0.517 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -61.6 | -39.5 | 171 | -169.3 | 179.1 | -72.8 | 0 | 0 | 111.2 | T231 S233 M239 | T231-M235 WeakPolarHBondContact O-CB 3.42Å; T231-M235 PolarHBondContact O-N 3.3Å; S233-M235 VanDerWaalsContact C-N 3.32Å; S233-M235 PolarHBondContact O-N 2.89Å; M235-M239 HydrophobicContact CG-SD 4.35Å; M235-M239 VanDerWaalsContact O-CB 3.25Å; M235-M239 WeakPolarHBondContact O-CB 3.31Å; M235-M239 VanDerWaalsContact O-CG 3.22Å; M235-M239 WeakPolarHBondContact O-CG 3.2Å; M235-M239 PolarHBondContact O-N 2.96Å |
| 236 | I | 78.2 | Confident | 69.1 | Low | 84 Ų | 84 | 120 Ų | 120 | 43% | 0.431 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.7 | -41.9 | 175.4 | -70.8 | 161.7 | 0 | 0 | 0 | 112 | S232 S233 D234 M239 K240 | S232-I236 WeakPolarHBondContact O-CD1 3.3Å; S232-I236 WeakPolarHBondContact O-CG1 3.41Å; S232-I236 PolarHBondContact O-N 2.9Å; S233-I236 WeakPolarHBondContact O-CB 3.36Å; S233-I236 PolarHBondContact O-N 3.31Å; D234-I236 VanDerWaalsContact C-N 3.31Å; D234-I236 PolarHBondContact O-N 3.19Å; I236-M239 PolarHBondContact O-N 3.14Å; I236-K240 WeakPolarHBondContact O-CG 3.49Å; I236-K240 PolarHBondContact O-N 3.5Å |
| 237 | K | 80.6 | Confident | 71.8 | Confident | 145 Ų | 145 | 118.7 Ų | 118.7 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.4 | -45.5 | 179 | -168.1 | -179 | 179.4 | -171.9 | 0 | 111.4 | S233 D234 M239 K240 E241 | S233-K237 PolarHBondContact O-N 2.88Å; S233-K237 VanDerWaalsContact O-N 3.1Å; D234-K237 PolarHBondContact O-N 3.32Å; K237-M239 VanDerWaalsContact C-N 3.32Å; K237-M239 PolarHBondContact O-N 2.94Å; K237-K240 PolarHBondContact O-N 3.38Å; K237-K240 VanDerWaalsContact O-N 3.13Å; K237-E241 PolarHBondContact O-N 2.91Å |
| 238 | K | 83 | Confident | 74.3 | Confident | 164 Ų | 164 | 116 Ų | 116 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.1 | -39.5 | 174.8 | -163.1 | 175.1 | -176.4 | -179.8 | 0 | 111.5 | D234 R242 | D234-K238 WeakPolarHBondContact O-CB 3.32Å; D234-K238 PolarHBondContact O-N 2.89Å; K238-R242 WeakPolarHBondContact O-CB 3.34Å; K238-R242 PolarHBondContact O-N 3.2Å |
| 239 | M | 82.9 | Confident | 76.8 | Confident | 112 Ų | 112 | 112.7 Ų | 112.7 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.7 | -42 | 171.3 | -82.3 | 174.8 | 69.1 | 0 | 0 | 112.2 | M235 I236 K237 R242 L243 | M235-M239 HydrophobicContact CG-SD 4.35Å; M235-M239 VanDerWaalsContact O-CB 3.25Å; M235-M239 WeakPolarHBondContact O-CB 3.31Å; M235-M239 VanDerWaalsContact O-CG 3.22Å; M235-M239 WeakPolarHBondContact O-CG 3.2Å; M235-M239 PolarHBondContact O-N 2.96Å; I236-M239 PolarHBondContact O-N 3.14Å; K237-M239 VanDerWaalsContact C-N 3.32Å; K237-M239 PolarHBondContact O-N 2.94Å; M239-R242 PolarHBondContact O-N 3.33Å; M239-L243 WeakPolarHBondContact O-CB 3.45Å; M239-L243 WeakPolarHBondContact O-CG 3.41Å; M239-L243 PolarHBondContact O-N 3.35Å |
| 240 | K | 86.2 | Confident | 79.2 | Confident | 135 Ų | 135 | 112.7 Ų | 112.7 | 59% | 0.587 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.2 | -42.7 | 178.4 | -80.2 | -177.8 | 179.7 | -179.2 | 0 | 113 | I236 K237 L243 K244 | I236-K240 WeakPolarHBondContact O-CG 3.49Å; I236-K240 PolarHBondContact O-N 3.5Å; K237-K240 PolarHBondContact O-N 3.38Å; K237-K240 VanDerWaalsContact O-N 3.13Å; K240-L243 PolarHBondContact O-N 3.27Å; K240-K244 PolarHBondContact O-N 3.48Å |
| 241 | E | 85.7 | Confident | 81.3 | Confident | 133 Ų | 133 | 107.3 Ų | 107.3 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.8 | -43.6 | 176.4 | -170.3 | 162.9 | -159.4 | 0 | 0 | 110.6 | K237 L243 K244 E245 | K237-E241 PolarHBondContact O-N 2.91Å; E241-L243 VanDerWaalsContact C-N 3.29Å; E241-L243 PolarHBondContact O-N 2.97Å; E241-K244 PolarHBondContact O-N 2.87Å; E241-K244 VanDerWaalsContact O-N 3.13Å; E241-E245 WeakPolarHBondContact O-CB 3.13Å; E241-E245 PolarHBondContact O-N 2.89Å |
| 242 | R | 88.2 | Confident | 83.2 | Confident | 121 Ų | 121 | 109.3 Ų | 109.3 | 46% | 0.457 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 172.6 | -170.4 | 60.3 | 179.2 | 161.3 | 7.5 | 112.6 | K238 M239 E245 L246 | K238-R242 WeakPolarHBondContact O-CB 3.34Å; K238-R242 PolarHBondContact O-N 3.2Å; M239-R242 PolarHBondContact O-N 3.33Å; R242-E245 IonicContact CZ-OE2 3.8Å; R242-E245 VanDerWaalsContact NH1-CD 3.34Å; R242-E245 IonicContact NH1-OE1 3.8Å; R242-E245 IonicContact NH1-OE2 2.76Å; R242-E245 PolarHBondContact NH1-OE2 3.44Å; R242-L246 HydrophobicContact CG-CD1 4.02Å; R242-L246 HydrophobicContact CG-CG 4.41Å; R242-L246 VanDerWaalsContact O-CB 3.23Å; R242-L246 WeakPolarHBondContact O-CB 3.37Å; R242-L246 WeakPolarHBondContact O-CD1 3.46Å; R242-L246 WeakPolarHBondContact O-CG 3.46Å; R242-L246 PolarHBondContact O-N 2.89Å |
| 243 | L | 88.4 | Confident | 85 | Confident | 110 Ų | 110 | 109.8 Ų | 109.8 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -37.9 | 174.5 | -79.8 | 168.6 | 0 | 0 | 0 | 112.6 | M239 K240 E241 S247 | M239-L243 WeakPolarHBondContact O-CB 3.45Å; M239-L243 WeakPolarHBondContact O-CG 3.41Å; M239-L243 PolarHBondContact O-N 3.35Å; K240-L243 PolarHBondContact O-N 3.27Å; E241-L243 VanDerWaalsContact C-N 3.29Å; E241-L243 PolarHBondContact O-N 2.97Å; L243-S247 WeakPolarHBondContact O-CB 3.39Å; L243-S247 PolarHBondContact O-N 2.99Å |
| 244 | K | 89.2 | Confident | 86.4 | Confident | 156 Ų | 156 | 108.8 Ų | 108.8 | 68% | 0.678 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.9 | -42.7 | 174.6 | -73.6 | -177.1 | 178.6 | -173.4 | 0 | 112 | K240 E241 S247 A248 | K240-K244 PolarHBondContact O-N 3.48Å; E241-K244 PolarHBondContact O-N 2.87Å; E241-K244 VanDerWaalsContact O-N 3.13Å; K244-S247 PolarHBondContact O-N 3.36Å; K244-S247 PolarHBondContact O-OG 3.36Å; K244-A248 WeakPolarHBondContact O-CB 3.39Å; K244-A248 PolarHBondContact O-N 2.91Å |
| 245 | E | 90.2 | Very high | 87.6 | Confident | 108 Ų | 108 | 106.8 Ų | 106.8 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 175.7 | -170.7 | -178.2 | -156.9 | 0 | 0 | 110.5 | E241 R242 S247 A248 E249 | E241-E245 WeakPolarHBondContact O-CB 3.13Å; E241-E245 PolarHBondContact O-N 2.89Å; R242-E245 IonicContact CZ-OE2 3.8Å; R242-E245 VanDerWaalsContact NH1-CD 3.34Å; R242-E245 IonicContact NH1-OE1 3.8Å; R242-E245 IonicContact NH1-OE2 2.76Å; R242-E245 PolarHBondContact NH1-OE2 3.44Å; E245-S247 VanDerWaalsContact C-N 3.31Å; E245-S247 PolarHBondContact O-N 3.42Å; E245-A248 PolarHBondContact O-N 3.49Å; E245-E249 VanDerWaalsContact O-CB 3.3Å; E245-E249 WeakPolarHBondContact O-CB 3.45Å; E245-E249 PolarHBondContact O-N 3.07Å |
| 246 | L | 89.3 | Confident | 89 | Confident | 77 Ų | 77 | 109.4 Ų | 109.4 | 40% | 0.403 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -34.6 | 173.7 | -75.4 | 168.7 | 0 | 0 | 0 | 112.7 | R242 H250 | R242-L246 HydrophobicContact CG-CD1 4.02Å; R242-L246 HydrophobicContact CG-CG 4.41Å; R242-L246 VanDerWaalsContact O-CB 3.23Å; R242-L246 WeakPolarHBondContact O-CB 3.37Å; R242-L246 WeakPolarHBondContact O-CD1 3.46Å; R242-L246 WeakPolarHBondContact O-CG 3.46Å; R242-L246 PolarHBondContact O-N 2.89Å; L246-H250 WeakPolarHBondContact O-CB 3.43Å; L246-H250 PolarHBondContact O-N 3.01Å |
| 247 | S | 90.2 | Very high | 89.7 | Confident | 60 Ų | 60 | 110.7 Ų | 110.7 | 42% | 0.42 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.1 | -41 | 175.7 | 97.4 | 0 | 0 | 0 | 0 | 111.5 | L243 K244 E245 H250 D251 | L243-S247 WeakPolarHBondContact O-CB 3.39Å; L243-S247 PolarHBondContact O-N 2.99Å; K244-S247 PolarHBondContact O-N 3.36Å; K244-S247 PolarHBondContact O-OG 3.36Å; E245-S247 VanDerWaalsContact C-N 3.31Å; E245-S247 PolarHBondContact O-N 3.42Å; S247-H250 WeakPolarHBondContact O-CB 3.25Å; S247-H250 PolarHBondContact O-N 3.49Å; S247-D251 WeakPolarHBondContact O-CB 3.42Å; S247-D251 PolarHBondContact O-N 2.93Å |
| 248 | A | 91.2 | Very high | 90.4 | Very high | 47 Ų | 47 | 109 Ų | 109 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K244 E245 H250 D251 E252 | K244-A248 WeakPolarHBondContact O-CB 3.39Å; K244-A248 PolarHBondContact O-N 2.91Å; E245-A248 PolarHBondContact O-N 3.49Å; A248-H250 VanDerWaalsContact C-N 3.31Å; A248-H250 PolarHBondContact O-N 2.89Å; A248-D251 PolarHBondContact O-N 3.39Å; A248-E252 WeakPolarHBondContact O-CB 3.22Å; A248-E252 WeakPolarHBondContact O-CG 3.46Å; A248-E252 PolarHBondContact O-N 2.99Å |
| 249 | E | 91.5 | Very high | 91 | Very high | 91 Ų | 91 | 108.3 Ų | 108.3 | 43% | 0.425 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 173.5 | -173.4 | 177.9 | -173.1 | 0 | 0 | 110.9 | E245 L253 | E245-E249 VanDerWaalsContact O-CB 3.3Å; E245-E249 WeakPolarHBondContact O-CB 3.45Å; E245-E249 PolarHBondContact O-N 3.07Å; E249-L253 HydrophobicContact CG-CD1 4.32Å; E249-L253 WeakPolarHBondContact O-CB 3.37Å; E249-L253 WeakPolarHBondContact O-CG 3.31Å; E249-L253 PolarHBondContact O-N 3.36Å |
| 250 | H | 91.9 | Very high | 91.6 | Very high | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 174.5 | 178.8 | -84 | 0 | 0 | 0 | 112.5 | L246 S247 A248 L253 L254 | L246-H250 WeakPolarHBondContact O-CB 3.43Å; L246-H250 PolarHBondContact O-N 3.01Å; S247-H250 WeakPolarHBondContact O-CB 3.25Å; S247-H250 PolarHBondContact O-N 3.49Å; A248-H250 VanDerWaalsContact C-N 3.31Å; A248-H250 PolarHBondContact O-N 2.89Å; H250-L253 PolarHBondContact O-N 2.87Å; H250-L254 WeakPolarHBondContact CE1-CD1 3.46Å; H250-L254 WeakPolarHBondContact O-CG 3.3Å; H250-L254 PolarHBondContact O-N 3.35Å |
| 251 | D | 92.2 | Very high | 92.1 | Very high | 87 Ų | 87 | 105.5 Ų | 105.5 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 177.4 | -66.8 | -19.9 | 0 | 0 | 0 | 111.1 | S247 A248 L253 L254 D255 | S247-D251 WeakPolarHBondContact O-CB 3.42Å; S247-D251 PolarHBondContact O-N 2.93Å; A248-D251 PolarHBondContact O-N 3.39Å; D251-L253 VanDerWaalsContact C-N 3.33Å; D251-L253 PolarHBondContact O-N 2.88Å; D251-L254 PolarHBondContact O-N 2.8Å; D251-D255 PolarHBondContact O-N 3.41Å |
| 252 | E | 93.5 | Very high | 92.5 | Very high | 139 Ų | 139 | 103.8 Ų | 103.8 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -38.3 | 173.2 | -76.5 | -175.6 | -175.4 | 0 | 0 | 112.5 | A248 R256 | A248-E252 WeakPolarHBondContact O-CB 3.22Å; A248-E252 WeakPolarHBondContact O-CG 3.46Å; A248-E252 PolarHBondContact O-N 2.99Å; E252-R256 VanDerWaalsContact O-CB 3.29Å; E252-R256 WeakPolarHBondContact O-CB 3.48Å; E252-R256 PolarHBondContact O-N 3.37Å |
| 253 | L | 93.4 | Very high | 92.9 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 175 | -76.8 | 171.7 | 0 | 0 | 0 | 111.9 | E249 H250 D251 R256 Q257 | E249-L253 HydrophobicContact CG-CD1 4.32Å; E249-L253 WeakPolarHBondContact O-CB 3.37Å; E249-L253 WeakPolarHBondContact O-CG 3.31Å; E249-L253 PolarHBondContact O-N 3.36Å; H250-L253 PolarHBondContact O-N 2.87Å; D251-L253 VanDerWaalsContact C-N 3.33Å; D251-L253 PolarHBondContact O-N 2.88Å; L253-R256 PolarHBondContact O-N 3.31Å; L253-Q257 WeakPolarHBondContact O-CB 3.42Å; L253-Q257 PolarHBondContact O-N 3.09Å |
| 254 | L | 94.2 | Very high | 93.3 | Very high | 75 Ų | 75 | 102.8 Ų | 102.8 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 173.6 | -77.2 | 178.3 | 0 | 0 | 0 | 111.5 | H250 D251 R256 Q257 E258 | H250-L254 WeakPolarHBondContact CE1-CD1 3.46Å; H250-L254 WeakPolarHBondContact O-CG 3.3Å; H250-L254 PolarHBondContact O-N 3.35Å; D251-L254 PolarHBondContact O-N 2.8Å; L254-R256 VanDerWaalsContact C-N 3.27Å; L254-R256 PolarHBondContact O-N 2.87Å; L254-Q257 WeakPolarHBondContact O-CB 3.37Å; L254-Q257 PolarHBondContact O-N 2.86Å; L254-Q257 VanDerWaalsContact O-N 3.11Å; L254-E258 PolarHBondContact O-N 3.46Å |
| 255 | D | 93.5 | Very high | 93.6 | Very high | 92 Ų | 92 | 99.4 Ų | 99.4 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 176.3 | -79.1 | -7.2 | 0 | 0 | 0 | 112 | D251 R259 | D251-D255 PolarHBondContact O-N 3.41Å; D255-R259 WeakPolarHBondContact O-CB 3.35Å; D255-R259 WeakPolarHBondContact O-CG 3.43Å; D255-R259 PolarHBondContact O-N 3.26Å; D255-R259 VanDerWaalsContact O-N 3.09Å; D255-R259 PolarHBondContact O-NE 2.91Å; D255-R259 VanDerWaalsContact O-NE 3.14Å |
| 256 | R | 94.5 | Very high | 93.9 | Very high | 159 Ų | 159 | 100.2 Ų | 100.2 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.4 | -42.1 | 173.8 | -175 | 176.2 | -177.6 | 176.6 | 0.2 | 111.1 | E252 L253 L254 R259 L260 | E252-R256 VanDerWaalsContact O-CB 3.29Å; E252-R256 WeakPolarHBondContact O-CB 3.48Å; E252-R256 PolarHBondContact O-N 3.37Å; L253-R256 PolarHBondContact O-N 3.31Å; L254-R256 VanDerWaalsContact C-N 3.27Å; L254-R256 PolarHBondContact O-N 2.87Å; R256-R259 PolarHBondContact O-N 3.28Å; R256-L260 HydrophobicContact CG-CD1 4.23Å; R256-L260 WeakPolarHBondContact O-CB 3.49Å; R256-L260 VanDerWaalsContact O-CG 3.29Å; R256-L260 WeakPolarHBondContact O-CG 3.21Å; R256-L260 PolarHBondContact O-N 2.81Å |
| 257 | Q | 95 | Very high | 94.2 | Very high | 111 Ų | 111 | 101.5 Ų | 101.5 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 176.3 | -176.7 | -177.1 | 12.1 | 0 | 0 | 111 | L253 L254 L260 L261 | L253-Q257 WeakPolarHBondContact O-CB 3.42Å; L253-Q257 PolarHBondContact O-N 3.09Å; L254-Q257 WeakPolarHBondContact O-CB 3.37Å; L254-Q257 PolarHBondContact O-N 2.86Å; L254-Q257 VanDerWaalsContact O-N 3.11Å; Q257-L260 PolarHBondContact O-N 2.94Å; Q257-L261 HydrophobicContact CG-CD1 4.22Å; Q257-L261 WeakPolarHBondContact O-CG 3.42Å; Q257-L261 PolarHBondContact O-N 2.9Å |
| 258 | E | 94.8 | Very high | 94.5 | Very high | 111 Ų | 111 | 102.9 Ų | 102.9 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 178.4 | -171.9 | 173.8 | -175.7 | 0 | 0 | 111.5 | L254 L260 L261 Q262 | L254-E258 PolarHBondContact O-N 3.46Å; E258-L260 PolarHBondContact O-N 2.79Å; E258-L261 PolarHBondContact O-N 3.44Å; E258-Q262 WeakPolarHBondContact O-CG 3.39Å; E258-Q262 PolarHBondContact O-N 3.44Å |
| 259 | R | 95.5 | Very high | 94.8 | Very high | 149 Ų | 149 | 105.5 Ų | 105.5 | 56% | 0.562 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -42.4 | 174.3 | -78.1 | -178.7 | -73 | -177.4 | -4.2 | 112.8 | D255 R256 L261 Q262 Q263 | D255-R259 WeakPolarHBondContact O-CB 3.35Å; D255-R259 WeakPolarHBondContact O-CG 3.43Å; D255-R259 PolarHBondContact O-N 3.26Å; D255-R259 VanDerWaalsContact O-N 3.09Å; D255-R259 PolarHBondContact O-NE 2.91Å; D255-R259 VanDerWaalsContact O-NE 3.14Å; R256-R259 PolarHBondContact O-N 3.28Å; R259-L261 VanDerWaalsContact C-N 3.34Å; R259-Q262 PolarHBondContact O-N 3.49Å; R259-Q263 WeakPolarHBondContact O-CB 3.3Å; R259-Q263 WeakPolarHBondContact O-CG 3.37Å; R259-Q263 PolarHBondContact O-N 3.48Å |
| 260 | L | 95.5 | Very high | 95.1 | Very high | 94 Ų | 94 | 103.5 Ų | 103.5 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 176.7 | -74.3 | 171.1 | 0 | 0 | 0 | 111.9 | R256 Q257 E258 H264 | R256-L260 HydrophobicContact CG-CD1 4.23Å; R256-L260 WeakPolarHBondContact O-CB 3.49Å; R256-L260 VanDerWaalsContact O-CG 3.29Å; R256-L260 WeakPolarHBondContact O-CG 3.21Å; R256-L260 PolarHBondContact O-N 2.81Å; Q257-L260 PolarHBondContact O-N 2.94Å; E258-L260 PolarHBondContact O-N 2.79Å; L260-H264 VanDerWaalsContact O-CB 3.25Å; L260-H264 WeakPolarHBondContact O-CB 3.48Å; L260-H264 PolarHBondContact O-N 3.2Å |
| 261 | L | 96 | Very high | 95.3 | Very high | 94 Ų | 94 | 103 Ų | 103 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 174.6 | -73 | 172.7 | 0 | 0 | 0 | 111.7 | Q257 E258 R259 H264 N265 | Q257-L261 HydrophobicContact CG-CD1 4.22Å; Q257-L261 WeakPolarHBondContact O-CG 3.42Å; Q257-L261 PolarHBondContact O-N 2.9Å; E258-L261 PolarHBondContact O-N 3.44Å; R259-L261 VanDerWaalsContact C-N 3.34Å; L261-H264 PolarHBondContact O-N 3.19Å; L261-N265 WeakPolarHBondContact O-CB 3.34Å; L261-N265 PolarHBondContact O-N 2.94Å; L261-N265 PolarHBondContact O-ND2 3.04Å |
| 262 | Q | 95.5 | Very high | 95.6 | Very high | 97 Ų | 97 | 103.8 Ų | 103.8 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 173.6 | -72.2 | 174 | 3.4 | 0 | 0 | 111.2 | E258 R259 H264 N265 E266 | E258-Q262 WeakPolarHBondContact O-CG 3.39Å; E258-Q262 PolarHBondContact O-N 3.44Å; R259-Q262 PolarHBondContact O-N 3.49Å; Q262-H264 VanDerWaalsContact C-N 3.29Å; Q262-H264 PolarHBondContact O-N 2.97Å; Q262-N265 PolarHBondContact O-N 3.28Å; Q262-N265 VanDerWaalsContact O-N 3.15Å; Q262-E266 WeakPolarHBondContact O-CG 3.5Å; Q262-E266 PolarHBondContact O-N 2.87Å |
| 263 | Q | 96.1 | Very high | 95.8 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 175.5 | -74.6 | -178 | -23.6 | 0 | 0 | 112.4 | R259 N267 | R259-Q263 WeakPolarHBondContact O-CB 3.3Å; R259-Q263 WeakPolarHBondContact O-CG 3.37Å; R259-Q263 PolarHBondContact O-N 3.48Å; Q263-N267 WeakPolarHBondContact O-CB 3.28Å; Q263-N267 VanDerWaalsContact O-CG 3.25Å; Q263-N267 PolarHBondContact O-N 3.02Å; Q263-N267 PolarHBondContact O-ND2 2.9Å; Q263-N267 VanDerWaalsContact O-ND2 3.1Å |
| 264 | H | 96 | Very high | 96 | Very high | 102 Ų | 102 | 104.8 Ų | 104.8 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 175.8 | -174.6 | 64 | 0 | 0 | 0 | 111.3 | L260 L261 Q262 N267 Q268 | L260-H264 VanDerWaalsContact O-CB 3.25Å; L260-H264 WeakPolarHBondContact O-CB 3.48Å; L260-H264 PolarHBondContact O-N 3.2Å; L261-H264 PolarHBondContact O-N 3.19Å; Q262-H264 VanDerWaalsContact C-N 3.29Å; Q262-H264 PolarHBondContact O-N 2.97Å; H264-N267 PolarHBondContact O-N 3.39Å; H264-Q268 PolarHBondContact NE2-NE2 3.39Å; H264-Q268 WeakPolarHBondContact O-CB 3.33Å; H264-Q268 WeakPolarHBondContact O-CG 3.46Å; H264-Q268 PolarHBondContact O-N 2.85Å |
| 265 | N | 96.4 | Very high | 96.1 | Very high | 86 Ų | 86 | 106.6 Ų | 106.6 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 176.8 | -69.6 | -19.7 | 0 | 0 | 0 | 112 | L261 Q262 Q268 L269 | L261-N265 WeakPolarHBondContact O-CB 3.34Å; L261-N265 PolarHBondContact O-N 2.94Å; L261-N265 PolarHBondContact O-ND2 3.04Å; Q262-N265 PolarHBondContact O-N 3.28Å; Q262-N265 VanDerWaalsContact O-N 3.15Å; N265-Q268 PolarHBondContact O-N 3.11Å; N265-L269 WeakPolarHBondContact O-CG 3.47Å; N265-L269 PolarHBondContact O-N 3.43Å |
| 266 | E | 96.2 | Very high | 96.3 | Very high | 125 Ų | 125 | 109.6 Ų | 109.6 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.7 | -45.5 | 174.7 | -73.2 | 174.7 | 176 | 0 | 0 | 111.7 | Q262 Q268 L269 A270 | Q262-E266 WeakPolarHBondContact O-CG 3.5Å; Q262-E266 PolarHBondContact O-N 2.87Å; E266-Q268 VanDerWaalsContact C-N 3.35Å; E266-Q268 PolarHBondContact O-N 3.27Å; E266-L269 PolarHBondContact O-N 3.32Å; E266-A270 WeakPolarHBondContact O-CB 3.29Å; E266-A270 PolarHBondContact O-N 2.9Å |
| 267 | N | 95.9 | Very high | 96.5 | Very high | 103 Ų | 103 | 103.8 Ų | 103.8 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -37.8 | 175.9 | -74.5 | -33.8 | 0 | 0 | 0 | 112.3 | Q263 H264 A270 L271 | Q263-N267 WeakPolarHBondContact O-CB 3.28Å; Q263-N267 VanDerWaalsContact O-CG 3.25Å; Q263-N267 PolarHBondContact O-N 3.02Å; Q263-N267 PolarHBondContact O-ND2 2.9Å; Q263-N267 VanDerWaalsContact O-ND2 3.1Å; H264-N267 PolarHBondContact O-N 3.39Å; N267-A270 PolarHBondContact O-N 2.85Å; N267-L271 WeakPolarHBondContact O-CB 3.46Å; N267-L271 VanDerWaalsContact O-CG 3.27Å; N267-L271 WeakPolarHBondContact O-CG 3.5Å; N267-L271 PolarHBondContact O-N 3.43Å |
| 268 | Q | 96.8 | Very high | 96.6 | Very high | 89 Ų | 89 | 101.7 Ų | 101.7 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 174.2 | -78.7 | -170.4 | -1.4 | 0 | 0 | 111.7 | H264 N265 E266 L271 Q272 | H264-Q268 PolarHBondContact NE2-NE2 3.39Å; H264-Q268 WeakPolarHBondContact O-CB 3.33Å; H264-Q268 WeakPolarHBondContact O-CG 3.46Å; H264-Q268 PolarHBondContact O-N 2.85Å; N265-Q268 PolarHBondContact O-N 3.11Å; E266-Q268 VanDerWaalsContact C-N 3.35Å; E266-Q268 PolarHBondContact O-N 3.27Å; Q268-L271 PolarHBondContact O-N 3.26Å; Q268-Q272 WeakPolarHBondContact O-CG 3.48Å; Q268-Q272 PolarHBondContact O-N 3.45Å |
| 269 | L | 96.9 | Very high | 96.8 | Very high | 102 Ų | 102 | 102.9 Ų | 102.9 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 175.7 | -71.7 | 171.1 | 0 | 0 | 0 | 111.4 | N265 E266 L271 Q272 E273 | N265-L269 WeakPolarHBondContact O-CG 3.47Å; N265-L269 PolarHBondContact O-N 3.43Å; E266-L269 PolarHBondContact O-N 3.32Å; L269-L271 VanDerWaalsContact C-N 3.32Å; L269-L271 PolarHBondContact O-N 3Å; L269-Q272 WeakPolarHBondContact O-CB 3.26Å; L269-Q272 PolarHBondContact O-N 2.96Å; L269-Q272 VanDerWaalsContact O-N 3.14Å; L269-E273 PolarHBondContact O-N 2.97Å |
| 270 | A | 96.7 | Very high | 96.9 | Very high | 50 Ų | 50 | 101.6 Ų | 101.6 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E266 N267 E273 M274 | E266-A270 WeakPolarHBondContact O-CB 3.29Å; E266-A270 PolarHBondContact O-N 2.9Å; N267-A270 PolarHBondContact O-N 2.85Å; A270-E273 PolarHBondContact O-N 3.43Å; A270-M274 WeakPolarHBondContact O-CB 3.43Å; A270-M274 PolarHBondContact O-N 3.05Å |
| 271 | L | 97.5 | Very high | 97 | Very high | 93 Ų | 93 | 105.1 Ų | 105.1 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 174 | -77 | 170.7 | 0 | 0 | 0 | 112 | N267 Q268 L269 M274 Q275 | N267-L271 WeakPolarHBondContact O-CB 3.46Å; N267-L271 VanDerWaalsContact O-CG 3.27Å; N267-L271 WeakPolarHBondContact O-CG 3.5Å; N267-L271 PolarHBondContact O-N 3.43Å; Q268-L271 PolarHBondContact O-N 3.26Å; L269-L271 VanDerWaalsContact C-N 3.32Å; L269-L271 PolarHBondContact O-N 3Å; L271-M274 HydrophobicContact CD2-CE 3.97Å; L271-M274 PolarHBondContact O-N 3.44Å; L271-Q275 WeakPolarHBondContact O-CB 3.32Å; L271-Q275 VanDerWaalsContact O-CG 3.26Å; L271-Q275 WeakPolarHBondContact O-CG 3.44Å; L271-Q275 PolarHBondContact O-N 2.9Å |
| 272 | Q | 97.6 | Very high | 97.1 | Very high | 104 Ų | 104 | 103.3 Ų | 103.3 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 175.7 | -73.6 | 177.6 | 1.9 | 0 | 0 | 112.2 | Q268 L269 Q275 R276 | Q268-Q272 WeakPolarHBondContact O-CG 3.48Å; Q268-Q272 PolarHBondContact O-N 3.45Å; L269-Q272 WeakPolarHBondContact O-CB 3.26Å; L269-Q272 PolarHBondContact O-N 2.96Å; L269-Q272 VanDerWaalsContact O-N 3.14Å; Q272-Q275 PolarHBondContact O-N 3.05Å; Q272-R276 PolarHBondContact O-N 3.22Å |
| 273 | E | 97.4 | Very high | 97.2 | Very high | 136 Ų | 136 | 101.1 Ų | 101.1 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65 | -43.8 | 174.4 | -72 | -179.7 | 170.7 | 0 | 0 | 111.7 | L269 A270 Q275 R276 A277 | L269-E273 PolarHBondContact O-N 2.97Å; A270-E273 PolarHBondContact O-N 3.43Å; E273-Q275 VanDerWaalsContact C-N 3.33Å; E273-Q275 PolarHBondContact O-N 2.83Å; E273-R276 PolarHBondContact O-N 3.38Å; E273-A277 WeakPolarHBondContact O-CB 3.36Å; E273-A277 PolarHBondContact O-N 3.02Å |
| 274 | M | 97.8 | Very high | 97.3 | Very high | 121 Ų | 121 | 99.3 Ų | 99.3 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 175.7 | -171.7 | -178.3 | 74.4 | 0 | 0 | 111.9 | A270 L271 A277 S278 | A270-M274 WeakPolarHBondContact O-CB 3.43Å; A270-M274 PolarHBondContact O-N 3.05Å; L271-M274 HydrophobicContact CD2-CE 3.97Å; L271-M274 PolarHBondContact O-N 3.44Å; M274-A277 PolarHBondContact O-N 3.09Å; M274-S278 WeakPolarHBondContact O-CB 3.43Å; M274-S278 PolarHBondContact O-N 3.25Å |
| 275 | Q | 97.5 | Very high | 97.4 | Very high | 114 Ų | 114 | 98.8 Ų | 98.8 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 174.1 | -77.5 | 173.3 | -16.7 | 0 | 0 | 111.4 | L271 Q272 E273 A277 S278 E279 | L271-Q275 WeakPolarHBondContact O-CB 3.32Å; L271-Q275 VanDerWaalsContact O-CG 3.26Å; L271-Q275 WeakPolarHBondContact O-CG 3.44Å; L271-Q275 PolarHBondContact O-N 2.9Å; Q272-Q275 PolarHBondContact O-N 3.05Å; E273-Q275 VanDerWaalsContact C-N 3.33Å; E273-Q275 PolarHBondContact O-N 2.83Å; Q275-A277 PolarHBondContact O-N 3.12Å; Q275-S278 WeakPolarHBondContact O-CB 3.25Å; Q275-S278 PolarHBondContact O-N 3.07Å; Q275-E279 WeakPolarHBondContact O-CG 3.44Å; Q275-E279 PolarHBondContact O-N 3.27Å |
| 276 | R | 97.5 | Very high | 97.5 | Very high | 155 Ų | 155 | 102.1 Ų | 102.1 | 59% | 0.585 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -45.9 | 176.6 | -171.5 | -178.9 | -58.9 | 170.3 | 6.2 | 112 | Q272 E273 S278 E279 E280 | Q272-R276 PolarHBondContact O-N 3.22Å; E273-R276 PolarHBondContact O-N 3.38Å; R276-S278 VanDerWaalsContact C-N 3.31Å; R276-S278 PolarHBondContact O-N 3.4Å; R276-E279 PolarHBondContact O-N 3.21Å; R276-E280 WeakPolarHBondContact O-CG 3.36Å; R276-E280 PolarHBondContact O-N 3.42Å |
| 277 | A | 97.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 102.2 Ų | 102.2 | 30% | 0.298 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E273 M274 Q275 E279 E280 Y281 | E273-A277 WeakPolarHBondContact O-CB 3.36Å; E273-A277 PolarHBondContact O-N 3.02Å; M274-A277 PolarHBondContact O-N 3.09Å; Q275-A277 PolarHBondContact O-N 3.12Å; A277-E279 PolarHBondContact O-N 3.21Å; A277-E280 PolarHBondContact O-N 2.9Å; A277-Y281 WeakPolarHBondContact O-CD2 3.43Å; A277-Y281 PolarHBondContact O-N 3.43Å |
| 278 | S | 98 | Very high | 97.7 | Very high | 67 Ų | 67 | 102.3 Ų | 102.3 | 47% | 0.469 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 175.1 | -173.7 | 0 | 0 | 0 | 0 | 112 | M274 Q275 R276 Y281 V282 | M274-S278 WeakPolarHBondContact O-CB 3.43Å; M274-S278 PolarHBondContact O-N 3.25Å; Q275-S278 WeakPolarHBondContact O-CB 3.25Å; Q275-S278 PolarHBondContact O-N 3.07Å; R276-S278 VanDerWaalsContact C-N 3.31Å; R276-S278 PolarHBondContact O-N 3.4Å; S278-Y281 PolarHBondContact O-N 3.01Å; S278-V282 VanDerWaalsContact O-CG2 3.22Å; S278-V282 WeakPolarHBondContact O-CG2 3.29Å; S278-V282 PolarHBondContact O-N 3.5Å |
| 279 | E | 98 | Very high | 97.8 | Very high | 137 Ų | 137 | 103 Ų | 103 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 176.2 | -72.8 | 172.6 | -178.8 | 0 | 0 | 111.7 | Q275 R276 A277 V282 A283 | Q275-E279 WeakPolarHBondContact O-CG 3.44Å; Q275-E279 PolarHBondContact O-N 3.27Å; R276-E279 PolarHBondContact O-N 3.21Å; A277-E279 PolarHBondContact O-N 3.21Å; E279-V282 PolarHBondContact O-N 2.93Å; E279-A283 WeakPolarHBondContact O-CB 3.44Å; E279-A283 PolarHBondContact O-N 2.88Å |
| 280 | E | 97.9 | Very high | 97.8 | Very high | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 175.5 | -72.6 | 174.9 | -172.2 | 0 | 0 | 112.3 | R276 A277 A283 T284 | R276-E280 WeakPolarHBondContact O-CG 3.36Å; R276-E280 PolarHBondContact O-N 3.42Å; A277-E280 PolarHBondContact O-N 2.9Å; E280-A283 PolarHBondContact O-N 3.48Å; E280-T284 WeakPolarHBondContact O-CB 3.36Å; E280-T284 PolarHBondContact O-N 2.94Å; E280-T284 PolarHBondContact O-OG1 3.03Å |
| 281 | Y | 98.3 | Very high | 97.9 | Very high | 169 Ų | 169 | 101 Ų | 101 | 66% | 0.663 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 174.8 | -79.2 | -59.9 | 0 | 0 | 0 | 112 | A277 S278 A283 T284 I285 | A277-Y281 WeakPolarHBondContact O-CD2 3.43Å; A277-Y281 PolarHBondContact O-N 3.43Å; S278-Y281 PolarHBondContact O-N 3.01Å; Y281-A283 VanDerWaalsContact C-N 3.31Å; Y281-A283 PolarHBondContact O-N 3.28Å; Y281-T284 WeakPolarHBondContact O-CB 3.45Å; Y281-T284 PolarHBondContact O-N 3.02Å; Y281-I285 VanDerWaalsContact O-CG1 3.31Å; Y281-I285 WeakPolarHBondContact O-CG1 3.28Å; Y281-I285 PolarHBondContact O-N 3.31Å |
| 282 | V | 98.1 | Very high | 97.9 | Very high | 55 Ų | 55 | 101.2 Ų | 101.2 | 33% | 0.333 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | S278 E279 I285 R286 | S278-V282 VanDerWaalsContact O-CG2 3.22Å; S278-V282 WeakPolarHBondContact O-CG2 3.29Å; S278-V282 PolarHBondContact O-N 3.5Å; E279-V282 PolarHBondContact O-N 2.93Å; V282-I285 PolarHBondContact O-N 3.42Å; V282-R286 VanDerWaalsContact CG1-NH2 3.3Å; V282-R286 WeakPolarHBondContact O-CG 3.49Å; V282-R286 PolarHBondContact O-N 2.9Å; V282-R286 VanDerWaalsContact O-N 3.11Å |
| 283 | A | 97.9 | Very high | 98 | Very high | 51 Ų | 51 | 103 Ų | 103 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | E279 E280 Y281 R286 E287 | E279-A283 WeakPolarHBondContact O-CB 3.44Å; E279-A283 PolarHBondContact O-N 2.88Å; E280-A283 PolarHBondContact O-N 3.48Å; Y281-A283 VanDerWaalsContact C-N 3.31Å; Y281-A283 PolarHBondContact O-N 3.28Å; A283-R286 PolarHBondContact O-N 3.21Å; A283-E287 PolarHBondContact O-N 2.65Å |
| 284 | T | 98.2 | Very high | 98 | Very high | 70 Ų | 70 | 103.2 Ų | 103.2 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | E280 Y281 R286 E287 L288 | E280-T284 WeakPolarHBondContact O-CB 3.36Å; E280-T284 PolarHBondContact O-N 2.94Å; E280-T284 PolarHBondContact O-OG1 3.03Å; Y281-T284 WeakPolarHBondContact O-CB 3.45Å; Y281-T284 PolarHBondContact O-N 3.02Å; T284-R286 PolarHBondContact O-N 3.03Å; T284-E287 PolarHBondContact O-N 3.45Å; T284-L288 HydrophobicContact CG2-CD1 4.24Å; T284-L288 WeakPolarHBondContact O-CG 3.38Å; T284-L288 PolarHBondContact O-N 2.92Å |
| 285 | I | 98.2 | Very high | 98 | Very high | 91 Ų | 91 | 102 Ų | 102 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 176.5 | -68.8 | 165 | 0 | 0 | 0 | 110.4 | Y281 V282 E287 L288 E289 | Y281-I285 VanDerWaalsContact O-CG1 3.31Å; Y281-I285 WeakPolarHBondContact O-CG1 3.28Å; Y281-I285 PolarHBondContact O-N 3.31Å; V282-I285 PolarHBondContact O-N 3.42Å; I285-E287 VanDerWaalsContact C-N 3.32Å; I285-E287 PolarHBondContact O-N 3.49Å; I285-L288 PolarHBondContact O-N 3.46Å; I285-L288 VanDerWaalsContact O-N 3.17Å; I285-E289 HydrophobicContact CG2-CG 4.39Å; I285-E289 WeakPolarHBondContact O-CG 3.39Å; I285-E289 PolarHBondContact O-N 3.38Å |
| 286 | R | 98 | Very high | 98 | Very high | 156 Ų | 156 | 102.4 Ų | 102.4 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -37.6 | 177.2 | -69.8 | -178.7 | -169.7 | 119.9 | 0.5 | 112.9 | V282 A283 T284 A290 | V282-R286 VanDerWaalsContact CG1-NH2 3.3Å; V282-R286 WeakPolarHBondContact O-CG 3.49Å; V282-R286 PolarHBondContact O-N 2.9Å; V282-R286 VanDerWaalsContact O-N 3.11Å; A283-R286 PolarHBondContact O-N 3.21Å; T284-R286 PolarHBondContact O-N 3.03Å; R286-A290 WeakPolarHBondContact O-CB 3.42Å; R286-A290 PolarHBondContact O-N 3.25Å |
| 287 | E | 98 | Very high | 98 | Very high | 127 Ų | 127 | 97.5 Ų | 97.5 | 59% | 0.593 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 174.9 | -175.9 | 174.7 | -172.2 | 0 | 0 | 111.2 | A283 T284 I285 A290 I291 | A283-E287 PolarHBondContact O-N 2.65Å; T284-E287 PolarHBondContact O-N 3.45Å; I285-E287 VanDerWaalsContact C-N 3.32Å; I285-E287 PolarHBondContact O-N 3.49Å; E287-A290 PolarHBondContact O-N 3.48Å; E287-I291 HydrophobicContact CG-CD1 4.1Å; E287-I291 VanDerWaalsContact O-CG1 3.31Å; E287-I291 WeakPolarHBondContact O-CG1 3.38Å; E287-I291 PolarHBondContact O-N 3.01Å |
| 288 | L | 98.4 | Very high | 98.1 | Very high | 105 Ų | 105 | 102.4 Ų | 102.4 | 55% | 0.55 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 176.6 | -70.5 | 172.8 | 0 | 0 | 0 | 112.1 | T284 I285 A290 I291 E292 | T284-L288 HydrophobicContact CG2-CD1 4.24Å; T284-L288 WeakPolarHBondContact O-CG 3.38Å; T284-L288 PolarHBondContact O-N 2.92Å; I285-L288 PolarHBondContact O-N 3.46Å; I285-L288 VanDerWaalsContact O-N 3.17Å; L288-A290 VanDerWaalsContact C-N 3.33Å; L288-A290 PolarHBondContact O-N 2.85Å; L288-I291 PolarHBondContact O-N 3.09Å; L288-E292 WeakPolarHBondContact O-CB 3.5Å; L288-E292 PolarHBondContact O-N 3.19Å |
| 289 | E | 98.3 | Very high | 98 | Very high | 102 Ų | 102 | 105.1 Ų | 105.1 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 173.8 | -72.6 | 170.9 | 168.4 | 0 | 0 | 111.1 | I285 I291 E292 E293 | I285-E289 HydrophobicContact CG2-CG 4.39Å; I285-E289 WeakPolarHBondContact O-CG 3.39Å; I285-E289 PolarHBondContact O-N 3.38Å; E289-I291 VanDerWaalsContact C-N 3.32Å; E289-I291 PolarHBondContact O-N 3.47Å; E289-E292 PolarHBondContact O-N 3.15Å; E289-E293 WeakPolarHBondContact O-CG 3.47Å; E289-E293 PolarHBondContact O-N 3.48Å |
| 290 | A | 97.9 | Very high | 98 | Very high | 41 Ų | 41 | 102.6 Ų | 102.6 | 34% | 0.339 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -32.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R286 E287 L288 K294 | R286-A290 WeakPolarHBondContact O-CB 3.42Å; R286-A290 PolarHBondContact O-N 3.25Å; E287-A290 PolarHBondContact O-N 3.48Å; L288-A290 VanDerWaalsContact C-N 3.33Å; L288-A290 PolarHBondContact O-N 2.85Å; A290-K294 WeakPolarHBondContact O-CD 3.33Å; A290-K294 VanDerWaalsContact O-CG 3.27Å; A290-K294 WeakPolarHBondContact O-CG 3.44Å; A290-K294 PolarHBondContact O-N 2.87Å |
| 291 | I | 98 | Very high | 98.1 | Very high | 70 Ų | 70 | 101.9 Ų | 101.9 | 36% | 0.359 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70 | -45.6 | 173.4 | -69.1 | 165.3 | 0 | 0 | 0 | 110.1 | E287 L288 E289 E293 K294 E295 | E287-I291 HydrophobicContact CG-CD1 4.1Å; E287-I291 VanDerWaalsContact O-CG1 3.31Å; E287-I291 WeakPolarHBondContact O-CG1 3.38Å; E287-I291 PolarHBondContact O-N 3.01Å; L288-I291 PolarHBondContact O-N 3.09Å; E289-I291 VanDerWaalsContact C-N 3.32Å; E289-I291 PolarHBondContact O-N 3.47Å; I291-E293 PolarHBondContact O-N 3.3Å; I291-K294 PolarHBondContact O-N 3.33Å; I291-E295 PolarHBondContact O-N 3Å |
| 292 | E | 98.1 | Very high | 98.1 | Very high | 97 Ų | 97 | 99.6 Ų | 99.6 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 179.1 | -169.3 | -173.1 | 165.8 | 0 | 0 | 111.5 | L288 E289 K294 E295 K296 | L288-E292 WeakPolarHBondContact O-CB 3.5Å; L288-E292 PolarHBondContact O-N 3.19Å; E289-E292 PolarHBondContact O-N 3.15Å; E292-K294 PolarHBondContact O-N 3.44Å; E292-E295 PolarHBondContact O-N 3.47Å; E292-K296 HydrophobicContact CG-CD 4.34Å; E292-K296 WeakPolarHBondContact O-CB 3.48Å; E292-K296 WeakPolarHBondContact O-CG 3.41Å; E292-K296 PolarHBondContact O-N 2.89Å; E292-K296 WeakPolarHBondContact OE1-CE 3.41Å; E292-K296 IonicContact OE1-NZ 2.64Å; E292-K296 PolarHBondContact OE1-NZ 3.16Å |
| 293 | E | 98 | Very high | 98.1 | Very high | 141 Ų | 141 | 101.7 Ų | 101.7 | 66% | 0.659 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -43 | 174.9 | -76.4 | -172.2 | 171 | 0 | 0 | 112.3 | E289 I291 E295 K296 A297 | E289-E293 WeakPolarHBondContact O-CG 3.47Å; E289-E293 PolarHBondContact O-N 3.48Å; I291-E293 PolarHBondContact O-N 3.3Å; E293-E295 VanDerWaalsContact C-N 3.33Å; E293-E295 PolarHBondContact O-N 3Å; E293-K296 PolarHBondContact O-N 3.43Å; E293-A297 WeakPolarHBondContact O-CB 3.37Å; E293-A297 PolarHBondContact O-N 3.45Å |
| 294 | K | 98.1 | Very high | 98.1 | Very high | 141 Ų | 141 | 103.8 Ų | 103.8 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.3 | -37.8 | 175 | -75.1 | 172 | -175.8 | 171.1 | 0 | 112 | A290 I291 E292 R298 | A290-K294 WeakPolarHBondContact O-CD 3.33Å; A290-K294 VanDerWaalsContact O-CG 3.27Å; A290-K294 WeakPolarHBondContact O-CG 3.44Å; A290-K294 PolarHBondContact O-N 2.87Å; I291-K294 PolarHBondContact O-N 3.33Å; E292-K294 PolarHBondContact O-N 3.44Å; K294-R298 WeakPolarHBondContact O-CG 3.4Å; K294-R298 PolarHBondContact O-N 2.87Å |
| 295 | E | 97.9 | Very high | 98.1 | Very high | 96 Ų | 96 | 103.9 Ų | 103.9 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 174.9 | -80.4 | -177.9 | 177.7 | 0 | 0 | 112.1 | I291 E292 E293 A297 R298 M299 | I291-E295 PolarHBondContact O-N 3Å; E292-E295 PolarHBondContact O-N 3.47Å; E293-E295 VanDerWaalsContact C-N 3.33Å; E293-E295 PolarHBondContact O-N 3Å; E295-A297 VanDerWaalsContact C-N 3.32Å; E295-A297 PolarHBondContact O-N 3.39Å; E295-R298 PolarHBondContact O-N 3.24Å; E295-R298 IonicContact OE1-NH2 3.57Å; E295-M299 WeakPolarHBondContact O-CB 3.27Å; E295-M299 VanDerWaalsContact O-CG 3.26Å; E295-M299 WeakPolarHBondContact O-CG 3.35Å; E295-M299 PolarHBondContact O-N 3.17Å |
| 296 | K | 98.2 | Very high | 98.1 | Very high | 123 Ų | 123 | 106.1 Ų | 106.1 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 173.8 | -75.3 | 172.7 | -179 | 164.7 | 0 | 111.7 | E292 E293 M299 N300 | E292-K296 HydrophobicContact CG-CD 4.34Å; E292-K296 WeakPolarHBondContact O-CB 3.48Å; E292-K296 WeakPolarHBondContact O-CG 3.41Å; E292-K296 PolarHBondContact O-N 2.89Å; E292-K296 WeakPolarHBondContact OE1-CE 3.41Å; E292-K296 IonicContact OE1-NZ 2.64Å; E292-K296 PolarHBondContact OE1-NZ 3.16Å; E293-K296 PolarHBondContact O-N 3.43Å; K296-M299 PolarHBondContact O-N 3.1Å; K296-N300 WeakPolarHBondContact O-CB 3.32Å; K296-N300 PolarHBondContact O-N 3.02Å |
| 297 | A | 97.8 | Very high | 98.1 | Very high | 51 Ų | 51 | 102.1 Ų | 102.1 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E293 E295 M299 N300 D301 | E293-A297 WeakPolarHBondContact O-CB 3.37Å; E293-A297 PolarHBondContact O-N 3.45Å; E295-A297 VanDerWaalsContact C-N 3.32Å; E295-A297 PolarHBondContact O-N 3.39Å; A297-M299 PolarHBondContact O-N 3.49Å; A297-N300 PolarHBondContact O-N 3.14Å; A297-D301 PolarHBondContact O-N 3.39Å |
| 298 | R | 98.1 | Very high | 98.1 | Very high | 140 Ų | 140 | 102.7 Ų | 102.7 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | 176.1 | -75.6 | -173.7 | -66.5 | 180 | 1.2 | 112.2 | K294 E295 N300 D301 E302 | K294-R298 WeakPolarHBondContact O-CG 3.4Å; K294-R298 PolarHBondContact O-N 2.87Å; E295-R298 PolarHBondContact O-N 3.24Å; E295-R298 IonicContact OE1-NH2 3.57Å; R298-N300 VanDerWaalsContact C-N 3.31Å; R298-N300 PolarHBondContact O-N 3.18Å; R298-D301 PolarHBondContact O-N 2.97Å; R298-E302 WeakPolarHBondContact O-CG 3.49Å; R298-E302 PolarHBondContact O-N 2.91Å |
| 299 | M | 97.6 | Very high | 98.1 | Very high | 123 Ų | 123 | 101.5 Ų | 101.5 | 61% | 0.606 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.4 | -38.8 | 178.6 | -72.1 | -63.2 | -63.5 | 0 | 0 | 111.9 | E295 K296 A297 L303 | E295-M299 WeakPolarHBondContact O-CB 3.27Å; E295-M299 VanDerWaalsContact O-CG 3.26Å; E295-M299 WeakPolarHBondContact O-CG 3.35Å; E295-M299 PolarHBondContact O-N 3.17Å; K296-M299 PolarHBondContact O-N 3.1Å; A297-M299 PolarHBondContact O-N 3.49Å; M299-L303 WeakPolarHBondContact O-CB 3.28Å; M299-L303 PolarHBondContact O-N 3.04Å |
| 300 | N | 98.1 | Very high | 98.2 | Very high | 85 Ų | 85 | 101.5 Ų | 101.5 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 176.7 | -172.4 | 59.2 | 0 | 0 | 0 | 111.9 | K296 A297 R298 L303 L304 | K296-N300 WeakPolarHBondContact O-CB 3.32Å; K296-N300 PolarHBondContact O-N 3.02Å; A297-N300 PolarHBondContact O-N 3.14Å; R298-N300 VanDerWaalsContact C-N 3.31Å; R298-N300 PolarHBondContact O-N 3.18Å; N300-L303 PolarHBondContact O-N 3.3Å; N300-L304 WeakPolarHBondContact O-CG 3.26Å; N300-L304 PolarHBondContact O-N 3.24Å |
| 301 | D | 98.1 | Very high | 98.2 | Very high | 105 Ų | 105 | 103.6 Ų | 103.6 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 175.1 | -73.1 | -14.9 | 0 | 0 | 0 | 111.5 | A297 R298 L304 E305 | A297-D301 PolarHBondContact O-N 3.39Å; R298-D301 PolarHBondContact O-N 2.97Å; D301-L304 PolarHBondContact O-N 3.39Å; D301-E305 PolarHBondContact O-N 3.07Å |
| 302 | E | 98.3 | Very high | 98.2 | Very high | 121 Ų | 121 | 106.1 Ų | 106.1 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 174.5 | -75.4 | -177.5 | -167.6 | 0 | 0 | 111.8 | R298 E305 K306 | R298-E302 WeakPolarHBondContact O-CG 3.49Å; R298-E302 PolarHBondContact O-N 2.91Å; E302-E305 PolarHBondContact O-N 3.45Å; E302-K306 VanDerWaalsContact O-CG 3.27Å; E302-K306 WeakPolarHBondContact O-CG 3.28Å; E302-K306 PolarHBondContact O-N 3.31Å |
| 303 | L | 98.4 | Very high | 98.2 | Very high | 100 Ų | 100 | 104.7 Ų | 104.7 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.9 | 179.5 | 62.4 | 0 | 0 | 0 | 111.5 | M299 N300 K306 I307 | M299-L303 WeakPolarHBondContact O-CB 3.28Å; M299-L303 PolarHBondContact O-N 3.04Å; N300-L303 PolarHBondContact O-N 3.3Å; L303-K306 PolarHBondContact O-N 2.91Å; L303-I307 HydrophobicContact CD1-CD1 4.36Å; L303-I307 HydrophobicContact CG-CD1 4.08Å; L303-I307 VanDerWaalsContact O-CG1 3.32Å; L303-I307 WeakPolarHBondContact O-CG1 3.38Å; L303-I307 PolarHBondContact O-N 2.95Å |
| 304 | L | 98.5 | Very high | 98.2 | Very high | 95 Ų | 95 | 100.8 Ų | 100.8 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.1 | -73.6 | 173.5 | 0 | 0 | 0 | 111.9 | N300 D301 K306 I307 R308 | N300-L304 WeakPolarHBondContact O-CG 3.26Å; N300-L304 PolarHBondContact O-N 3.24Å; D301-L304 PolarHBondContact O-N 3.39Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.4Å; L304-I307 PolarHBondContact O-N 2.93Å; L304-R308 WeakPolarHBondContact O-CB 3.28Å; L304-R308 PolarHBondContact O-N 3.45Å |
| 305 | E | 98.3 | Very high | 98.2 | Very high | 72 Ų | 72 | 96 Ų | 96 | 34% | 0.336 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 175.5 | 179 | 54.9 | -157.6 | 0 | 0 | 111.6 | D301 E302 R308 Q309 | D301-E305 PolarHBondContact O-N 3.07Å; E302-E305 PolarHBondContact O-N 3.45Å; E305-R308 PolarHBondContact O-N 3.12Å; E305-R308 IonicContact OE1-CZ 3.54Å; E305-R308 IonicContact OE1-NE 2.79Å; E305-R308 IonicContact OE1-NH2 3.4Å; E305-R308 PolarHBondContact OE1-NH2 3.4Å; E305-R308 IonicContact OE2-CZ 3.35Å; E305-R308 IonicContact OE2-NE 2.74Å; E305-R308 PolarHBondContact OE2-NE 3.44Å; E305-R308 IonicContact OE2-NH2 3.55Å; E305-R308 PolarHBondContact OE2-NH2 3.45Å; E305-Q309 WeakPolarHBondContact O-CB 3.44Å; E305-Q309 VanDerWaalsContact O-CG 3.29Å; E305-Q309 WeakPolarHBondContact O-CG 3.33Å; E305-Q309 PolarHBondContact O-N 3.27Å; E305-Q309 WeakPolarHBondContact OE1-CG 3.27Å; E305-Q309 PolarHBondContact OE1-NE2 3.22Å |
| 306 | K | 98.3 | Very high | 98.3 | Very high | 138 Ų | 138 | 96.3 Ų | 96.3 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | 173.6 | -68.9 | -66.3 | 179.5 | -172.5 | 0 | 112.3 | E302 L303 L304 Q309 K310 | E302-K306 VanDerWaalsContact O-CG 3.27Å; E302-K306 WeakPolarHBondContact O-CG 3.28Å; E302-K306 PolarHBondContact O-N 3.31Å; L303-K306 PolarHBondContact O-N 2.91Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.4Å; K306-Q309 PolarHBondContact O-N 2.87Å; K306-K310 WeakPolarHBondContact O-CB 3.49Å; K306-K310 PolarHBondContact O-N 3.02Å |
| 307 | I | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 95.6 Ų | 95.6 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 174.6 | -69.6 | 166 | 0 | 0 | 0 | 110.3 | L303 L304 Q309 K310 D311 | L303-I307 HydrophobicContact CD1-CD1 4.36Å; L303-I307 HydrophobicContact CG-CD1 4.08Å; L303-I307 VanDerWaalsContact O-CG1 3.32Å; L303-I307 WeakPolarHBondContact O-CG1 3.38Å; L303-I307 PolarHBondContact O-N 2.95Å; L304-I307 PolarHBondContact O-N 2.93Å; I307-Q309 VanDerWaalsContact C-N 3.34Å; I307-Q309 PolarHBondContact O-N 3.29Å; I307-K310 WeakPolarHBondContact O-CB 3.47Å; I307-K310 PolarHBondContact O-N 2.97Å; I307-D311 PolarHBondContact O-N 2.98Å |
| 308 | R | 98.4 | Very high | 98.3 | Very high | 139 Ų | 139 | 101.5 Ų | 101.5 | 53% | 0.525 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 177.7 | -168 | -169.9 | 73.2 | 81.1 | 0.8 | 112.1 | L304 E305 D311 K312 | L304-R308 WeakPolarHBondContact O-CB 3.28Å; L304-R308 PolarHBondContact O-N 3.45Å; E305-R308 PolarHBondContact O-N 3.12Å; E305-R308 IonicContact OE1-CZ 3.54Å; E305-R308 IonicContact OE1-NE 2.79Å; E305-R308 IonicContact OE1-NH2 3.4Å; E305-R308 PolarHBondContact OE1-NH2 3.4Å; E305-R308 IonicContact OE2-CZ 3.35Å; E305-R308 IonicContact OE2-NE 2.74Å; E305-R308 PolarHBondContact OE2-NE 3.44Å; E305-R308 IonicContact OE2-NH2 3.55Å; E305-R308 PolarHBondContact OE2-NH2 3.45Å; R308-D311 PolarHBondContact O-N 2.66Å; R308-K312 WeakPolarHBondContact O-CB 3.29Å; R308-K312 PolarHBondContact O-N 3.25Å |
| 309 | Q | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 101.6 Ų | 101.6 | 38% | 0.379 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.4 | -72.7 | 175.1 | 7.9 | 0 | 0 | 111.4 | E305 K306 I307 D311 K312 T313 | E305-Q309 WeakPolarHBondContact O-CB 3.44Å; E305-Q309 VanDerWaalsContact O-CG 3.29Å; E305-Q309 WeakPolarHBondContact O-CG 3.33Å; E305-Q309 PolarHBondContact O-N 3.27Å; E305-Q309 WeakPolarHBondContact OE1-CG 3.27Å; E305-Q309 PolarHBondContact OE1-NE2 3.22Å; K306-Q309 PolarHBondContact O-N 2.87Å; I307-Q309 VanDerWaalsContact C-N 3.34Å; I307-Q309 PolarHBondContact O-N 3.29Å; Q309-D311 PolarHBondContact O-N 3.42Å; Q309-K312 WeakPolarHBondContact O-CB 3.37Å; Q309-K312 PolarHBondContact O-N 3.25Å; Q309-T313 WeakPolarHBondContact O-CG2 3.49Å; Q309-T313 PolarHBondContact O-N 2.97Å; Q309-T313 PolarHBondContact O-OG1 2.61Å |
| 310 | K | 98.5 | Very high | 98.4 | Very high | 101 Ų | 101 | 98 Ų | 98 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 174.9 | -177.4 | -165.3 | 63.6 | 63.3 | 0 | 111 | K306 I307 K312 T313 I314 | K306-K310 WeakPolarHBondContact O-CB 3.49Å; K306-K310 PolarHBondContact O-N 3.02Å; I307-K310 WeakPolarHBondContact O-CB 3.47Å; I307-K310 PolarHBondContact O-N 2.97Å; K310-K312 VanDerWaalsContact C-N 3.31Å; K310-K312 PolarHBondContact O-N 3.18Å; K310-T313 WeakPolarHBondContact CA-OG1 3.46Å; K310-T313 PolarHBondContact O-N 3.15Å; K310-T313 VanDerWaalsContact O-N 3.17Å; K310-T313 PolarHBondContact O-OG1 3Å; K310-I314 HydrophobicContact CD-CD1 4.4Å; K310-I314 HydrophobicContact CG-CD1 3.97Å; K310-I314 WeakPolarHBondContact O-CG1 3.43Å; K310-I314 PolarHBondContact O-N 3.08Å |
| 311 | D | 98.4 | Very high | 98.4 | Very high | 85 Ų | 85 | 100 Ų | 100 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | -179.6 | -69.4 | -18.6 | 0 | 0 | 0 | 112.2 | I307 R308 Q309 I314 G315 | I307-D311 PolarHBondContact O-N 2.98Å; R308-D311 PolarHBondContact O-N 2.66Å; Q309-D311 PolarHBondContact O-N 3.42Å; D311-I314 PolarHBondContact O-N 3.03Å; D311-G315 PolarHBondContact O-N 3.36Å |
| 312 | K | 98.4 | Very high | 98.4 | Very high | 123 Ų | 123 | 97.9 Ų | 97.9 | 54% | 0.535 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 171.1 | -169.9 | -169.3 | -179.9 | -148.9 | 0 | 111.5 | R308 Q309 K310 I314 G315 E316 | R308-K312 WeakPolarHBondContact O-CB 3.29Å; R308-K312 PolarHBondContact O-N 3.25Å; Q309-K312 WeakPolarHBondContact O-CB 3.37Å; Q309-K312 PolarHBondContact O-N 3.25Å; K310-K312 VanDerWaalsContact C-N 3.31Å; K310-K312 PolarHBondContact O-N 3.18Å; K312-I314 VanDerWaalsContact C-N 3.32Å; K312-I314 PolarHBondContact O-N 3.32Å; K312-G315 PolarHBondContact O-N 3.07Å; K312-G315 VanDerWaalsContact O-N 3.12Å; K312-E316 WeakPolarHBondContact CE-OE1 3.39Å; K312-E316 IonicContact NZ-OE1 2.61Å; K312-E316 PolarHBondContact NZ-OE1 3.22Å; K312-E316 WeakPolarHBondContact O-CG 3.25Å; K312-E316 PolarHBondContact O-N 3.44Å |
| 313 | T | 98 | Very high | 98.4 | Very high | 68 Ų | 68 | 94.3 Ų | 94.3 | 42% | 0.417 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -35.7 | 179.2 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | Q309 K310 G315 E316 L317 | Q309-T313 WeakPolarHBondContact O-CG2 3.49Å; Q309-T313 PolarHBondContact O-N 2.97Å; Q309-T313 PolarHBondContact O-OG1 2.61Å; K310-T313 WeakPolarHBondContact CA-OG1 3.46Å; K310-T313 PolarHBondContact O-N 3.15Å; K310-T313 VanDerWaalsContact O-N 3.17Å; K310-T313 PolarHBondContact O-OG1 3Å; T313-G315 VanDerWaalsContact C-N 3.33Å; T313-E316 PolarHBondContact O-N 3.17Å; T313-L317 WeakPolarHBondContact O-CB 3.36Å; T313-L317 WeakPolarHBondContact O-CG 3.49Å; T313-L317 PolarHBondContact O-N 3.32Å |
| 314 | I | 98.4 | Very high | 98.4 | Very high | 59 Ų | 59 | 91.8 Ų | 91.8 | 30% | 0.303 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 173.6 | -69.5 | 167.5 | 0 | 0 | 0 | 110.3 | K310 D311 K312 L317 R318 | K310-I314 HydrophobicContact CD-CD1 4.4Å; K310-I314 HydrophobicContact CG-CD1 3.97Å; K310-I314 WeakPolarHBondContact O-CG1 3.43Å; K310-I314 PolarHBondContact O-N 3.08Å; D311-I314 PolarHBondContact O-N 3.03Å; K312-I314 VanDerWaalsContact C-N 3.32Å; K312-I314 PolarHBondContact O-N 3.32Å; I314-L317 PolarHBondContact O-N 2.87Å; I314-R318 WeakPolarHBondContact O-CG 3.39Å; I314-R318 PolarHBondContact O-N 2.91Å |
| 315 | G | 98.5 | Very high | 98.3 | Very high | 40 Ų | 40 | 90.2 Ų | 90.2 | 41% | 0.412 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D311 K312 T313 L317 R318 H319 | D311-G315 PolarHBondContact O-N 3.36Å; K312-G315 PolarHBondContact O-N 3.07Å; K312-G315 VanDerWaalsContact O-N 3.12Å; T313-G315 VanDerWaalsContact C-N 3.33Å; G315-L317 PolarHBondContact O-N 3.32Å; G315-R318 PolarHBondContact O-N 3.31Å; G315-H319 PolarHBondContact O-N 2.94Å |
| 316 | E | 98.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 92 Ų | 92 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 176.1 | -69.6 | 170.8 | -175.3 | 0 | 0 | 111.7 | K312 T313 H319 A320 | K312-E316 WeakPolarHBondContact CE-OE1 3.39Å; K312-E316 IonicContact NZ-OE1 2.61Å; K312-E316 PolarHBondContact NZ-OE1 3.22Å; K312-E316 WeakPolarHBondContact O-CG 3.25Å; K312-E316 PolarHBondContact O-N 3.44Å; T313-E316 PolarHBondContact O-N 3.17Å; E316-H319 PolarHBondContact O-N 3.17Å; E316-A320 PolarHBondContact O-N 2.9Å |
| 317 | L | 98.4 | Very high | 98.4 | Very high | 109 Ų | 109 | 90.2 Ų | 90.2 | 57% | 0.571 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 175.8 | -75.3 | 172 | 0 | 0 | 0 | 112.4 | T313 I314 G315 H319 A320 E321 | T313-L317 WeakPolarHBondContact O-CB 3.36Å; T313-L317 WeakPolarHBondContact O-CG 3.49Å; T313-L317 PolarHBondContact O-N 3.32Å; I314-L317 PolarHBondContact O-N 2.87Å; G315-L317 PolarHBondContact O-N 3.32Å; L317-H319 VanDerWaalsContact C-N 3.28Å; L317-H319 PolarHBondContact O-N 2.84Å; L317-A320 WeakPolarHBondContact O-CB 3.26Å; L317-A320 PolarHBondContact O-N 3.09Å; L317-A320 VanDerWaalsContact O-N 3.15Å; L317-E321 WeakPolarHBondContact O-CG 3.45Å; L317-E321 PolarHBondContact O-N 3.22Å |
| 318 | R | 98.4 | Very high | 98.3 | Very high | 175 Ų | 175 | 92.3 Ų | 92.3 | 66% | 0.66 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61 | -38.3 | 176 | -74.2 | 178.2 | -179 | -178 | 1.7 | 112.2 | I314 G315 E321 S322 | I314-R318 WeakPolarHBondContact O-CG 3.39Å; I314-R318 PolarHBondContact O-N 2.91Å; G315-R318 PolarHBondContact O-N 3.31Å; R318-E321 PolarHBondContact O-N 3.26Å; R318-S322 PolarHBondContact O-N 3.38Å |
| 319 | H | 98.2 | Very high | 98.4 | Very high | 142 Ų | 142 | 92.6 Ų | 92.6 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65 | -44.1 | 174.5 | -177.6 | 65.3 | 0 | 0 | 0 | 111.5 | G315 E316 L317 E321 S322 S323 | G315-H319 PolarHBondContact O-N 2.94Å; E316-H319 PolarHBondContact O-N 3.17Å; L317-H319 VanDerWaalsContact C-N 3.28Å; L317-H319 PolarHBondContact O-N 2.84Å; H319-E321 PolarHBondContact O-N 3.03Å; H319-S322 PolarHBondContact O-N 3.03Å; H319-S323 PolarHBondContact O-N 3.43Å |
| 320 | A | 98.6 | Very high | 98.4 | Very high | 48 Ų | 48 | 94 Ų | 94 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E316 L317 S322 S323 A324 | E316-A320 PolarHBondContact O-N 2.9Å; L317-A320 WeakPolarHBondContact O-CB 3.26Å; L317-A320 PolarHBondContact O-N 3.09Å; L317-A320 VanDerWaalsContact O-N 3.15Å; A320-S322 PolarHBondContact O-N 2.86Å; A320-S323 PolarHBondContact O-N 3.13Å; A320-S323 PolarHBondContact O-OG 3.36Å; A320-A324 WeakPolarHBondContact O-CB 3.39Å; A320-A324 PolarHBondContact O-N 2.89Å |
| 321 | E | 98.3 | Very high | 98.4 | Very high | 127 Ų | 127 | 95.3 Ų | 95.3 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60 | -41.9 | 175.3 | -73.5 | 173.6 | 171.9 | 0 | 0 | 112.6 | L317 R318 H319 A324 S325 | L317-E321 WeakPolarHBondContact O-CG 3.45Å; L317-E321 PolarHBondContact O-N 3.22Å; R318-E321 PolarHBondContact O-N 3.26Å; H319-E321 PolarHBondContact O-N 3.03Å; E321-A324 PolarHBondContact O-N 3.49Å; E321-S325 WeakPolarHBondContact O-CB 3.42Å; E321-S325 PolarHBondContact O-N 3.34Å; E321-S325 PolarHBondContact O-OG 3.01Å |
| 322 | S | 98.3 | Very high | 98.4 | Very high | 59 Ų | 59 | 95.9 Ų | 95.9 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 175 | -168.2 | 0 | 0 | 0 | 0 | 111.2 | R318 H319 A320 A324 S325 E326 | R318-S322 PolarHBondContact O-N 3.38Å; H319-S322 PolarHBondContact O-N 3.03Å; A320-S322 PolarHBondContact O-N 2.86Å; S322-A324 VanDerWaalsContact C-N 3.33Å; S322-A324 PolarHBondContact O-N 2.96Å; S322-S325 WeakPolarHBondContact O-CB 3.46Å; S322-S325 PolarHBondContact O-N 3.3Å; S322-E326 WeakPolarHBondContact O-CG 3.37Å; S322-E326 PolarHBondContact O-N 3.29Å |
| 323 | S | 98 | Very high | 98.3 | Very high | 47 Ų | 47 | 96.9 Ų | 96.9 | 33% | 0.329 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 178.6 | 75 | 0 | 0 | 0 | 0 | 112.4 | H319 A320 E326 L327 | H319-S323 PolarHBondContact O-N 3.43Å; A320-S323 PolarHBondContact O-N 3.13Å; A320-S323 PolarHBondContact O-OG 3.36Å; S323-E326 PolarHBondContact O-N 3.41Å; S323-L327 WeakPolarHBondContact O-CG 3.44Å; S323-L327 PolarHBondContact O-N 2.92Å |
| 324 | A | 98.4 | Very high | 98.4 | Very high | 47 Ų | 47 | 99.5 Ų | 99.5 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A320 E321 S322 E326 L327 L328 | A320-A324 WeakPolarHBondContact O-CB 3.39Å; A320-A324 PolarHBondContact O-N 2.89Å; E321-A324 PolarHBondContact O-N 3.49Å; S322-A324 VanDerWaalsContact C-N 3.33Å; S322-A324 PolarHBondContact O-N 2.96Å; A324-E326 VanDerWaalsContact C-N 3.33Å; A324-E326 PolarHBondContact O-N 3.49Å; A324-L327 PolarHBondContact O-N 2.94Å; A324-L328 WeakPolarHBondContact O-CG 3.48Å; A324-L328 PolarHBondContact O-N 3.5Å |
| 325 | S | 98.3 | Very high | 98.4 | Very high | 61 Ų | 61 | 105 Ų | 105 | 43% | 0.427 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | E321 S322 K329 | E321-S325 WeakPolarHBondContact O-CB 3.42Å; E321-S325 PolarHBondContact O-N 3.34Å; E321-S325 PolarHBondContact O-OG 3.01Å; S322-S325 WeakPolarHBondContact O-CB 3.46Å; S322-S325 PolarHBondContact O-N 3.3Å; S325-K329 WeakPolarHBondContact O-CG 3.4Å; S325-K329 PolarHBondContact O-N 2.75Å; S325-K329 VanDerWaalsContact O-N 3.15Å |
| 326 | E | 98.3 | Very high | 98.3 | Very high | 110 Ų | 110 | 109 Ų | 109 | 51% | 0.514 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 174 | -73.5 | 174.4 | -166.4 | 0 | 0 | 112.1 | S322 S323 A324 L328 K329 Q330 | S322-E326 WeakPolarHBondContact O-CG 3.37Å; S322-E326 PolarHBondContact O-N 3.29Å; S323-E326 PolarHBondContact O-N 3.41Å; A324-E326 VanDerWaalsContact C-N 3.33Å; A324-E326 PolarHBondContact O-N 3.49Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.32Å; E326-K329 WeakPolarHBondContact O-CB 3.38Å; E326-K329 PolarHBondContact O-N 2.91Å; E326-Q330 WeakPolarHBondContact O-CG 3.44Å; E326-Q330 PolarHBondContact O-N 3.28Å |
| 327 | L | 98.4 | Very high | 98.3 | Very high | 101 Ų | 101 | 106.5 Ų | 106.5 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 175.3 | -76.1 | 171.2 | 0 | 0 | 0 | 111.9 | S323 A324 K329 Q330 M331 | S323-L327 WeakPolarHBondContact O-CG 3.44Å; S323-L327 PolarHBondContact O-N 2.92Å; A324-L327 PolarHBondContact O-N 2.94Å; L327-K329 VanDerWaalsContact C-N 3.35Å; L327-K329 PolarHBondContact O-N 3.1Å; L327-Q330 WeakPolarHBondContact O-CB 3.33Å; L327-Q330 PolarHBondContact O-N 3.15Å; L327-Q330 VanDerWaalsContact O-N 3.17Å; L327-M331 WeakPolarHBondContact O-CG 3.38Å; L327-M331 PolarHBondContact O-N 3.31Å |
| 328 | L | 98.2 | Very high | 98.3 | Very high | 115 Ų | 115 | 104 Ų | 104 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 176 | -73.4 | 172.5 | 0 | 0 | 0 | 112.1 | A324 E326 Q330 M331 E332 | A324-L328 WeakPolarHBondContact O-CG 3.48Å; A324-L328 PolarHBondContact O-N 3.5Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.32Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 2.94Å; L328-M331 PolarHBondContact O-N 2.84Å; L328-E332 PolarHBondContact O-N 3.01Å |
| 329 | K | 98.5 | Very high | 98.3 | Very high | 144 Ų | 144 | 99.1 Ų | 99.1 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -39.3 | 173.9 | -71.9 | 172 | -176.8 | 174.2 | 0 | 112 | S325 E326 L327 K333 | S325-K329 WeakPolarHBondContact O-CG 3.4Å; S325-K329 PolarHBondContact O-N 2.75Å; S325-K329 VanDerWaalsContact O-N 3.15Å; E326-K329 WeakPolarHBondContact O-CB 3.38Å; E326-K329 PolarHBondContact O-N 2.91Å; L327-K329 VanDerWaalsContact C-N 3.35Å; L327-K329 PolarHBondContact O-N 3.1Å; K329-K333 WeakPolarHBondContact O-CG 3.36Å; K329-K333 PolarHBondContact O-N 2.99Å |
| 330 | Q | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 95 Ų | 95 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 175.7 | -70.9 | 179.5 | -2.1 | 0 | 0 | 111.8 | E326 L327 L328 E332 K333 L334 | E326-Q330 WeakPolarHBondContact O-CG 3.44Å; E326-Q330 PolarHBondContact O-N 3.28Å; L327-Q330 WeakPolarHBondContact O-CB 3.33Å; L327-Q330 PolarHBondContact O-N 3.15Å; L327-Q330 VanDerWaalsContact O-N 3.17Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 2.94Å; Q330-E332 VanDerWaalsContact C-N 3.35Å; Q330-E332 PolarHBondContact O-N 3.35Å; Q330-K333 PolarHBondContact O-N 2.91Å; Q330-L334 WeakPolarHBondContact O-CG 3.45Å; Q330-L334 PolarHBondContact O-N 3.46Å |
| 331 | M | 98.5 | Very high | 98.3 | Very high | 128 Ų | 128 | 98.5 Ų | 98.5 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 175.9 | -74.1 | -169.2 | 73.1 | 0 | 0 | 112.1 | L327 L328 L334 R335 | L327-M331 WeakPolarHBondContact O-CG 3.38Å; L327-M331 PolarHBondContact O-N 3.31Å; L328-M331 PolarHBondContact O-N 2.84Å; M331-L334 PolarHBondContact O-N 3.36Å; M331-R335 WeakPolarHBondContact O-CB 3.43Å; M331-R335 PolarHBondContact O-N 3.38Å |
| 332 | E | 98.3 | Very high | 98.3 | Very high | 97 Ų | 97 | 98.7 Ų | 98.7 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 177.6 | -165.6 | 57.7 | -145.6 | 0 | 0 | 111.5 | L328 Q330 L334 R335 E336 | L328-E332 PolarHBondContact O-N 3.01Å; Q330-E332 VanDerWaalsContact C-N 3.35Å; Q330-E332 PolarHBondContact O-N 3.35Å; E332-L334 VanDerWaalsContact C-N 3.32Å; E332-L334 PolarHBondContact O-N 3.38Å; E332-R335 WeakPolarHBondContact O-CB 3.44Å; E332-R335 PolarHBondContact O-N 3.2Å; E332-R335 VanDerWaalsContact O-N 3.1Å; E332-E336 WeakPolarHBondContact O-CG 3.44Å; E332-E336 PolarHBondContact O-N 2.98Å |
| 333 | K | 98.3 | Very high | 98.3 | Very high | 143 Ų | 143 | 103 Ų | 103 | 62% | 0.622 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.2 | -41.9 | 173.3 | -71.7 | 176.3 | -179.7 | -176 | 0 | 112.7 | K329 Q330 R335 E336 A337 | K329-K333 WeakPolarHBondContact O-CG 3.36Å; K329-K333 PolarHBondContact O-N 2.99Å; Q330-K333 PolarHBondContact O-N 2.91Å; K333-R335 VanDerWaalsContact C-N 3.34Å; K333-E336 PolarHBondContact O-N 3.49Å; K333-A337 WeakPolarHBondContact O-CB 3.49Å; K333-A337 PolarHBondContact O-N 3.47Å |
| 334 | L | 98.3 | Very high | 98.3 | Very high | 123 Ų | 123 | 105 Ų | 105 | 64% | 0.644 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.2 | -35.5 | 176.6 | -73.6 | 172.6 | 0 | 0 | 0 | 112.1 | Q330 M331 E332 S338 | Q330-L334 WeakPolarHBondContact O-CG 3.45Å; Q330-L334 PolarHBondContact O-N 3.46Å; M331-L334 PolarHBondContact O-N 3.36Å; E332-L334 VanDerWaalsContact C-N 3.32Å; E332-L334 PolarHBondContact O-N 3.38Å; L334-S338 WeakPolarHBondContact O-CB 3.42Å; L334-S338 PolarHBondContact O-N 3.34Å |
| 335 | R | 98.4 | Very high | 98.3 | Very high | 176 Ų | 176 | 107.1 Ų | 107.1 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.8 | -45.1 | 174.8 | -176.6 | -173.6 | 168.6 | 95.8 | 2.2 | 111.2 | M331 E332 K333 S338 S339 | M331-R335 WeakPolarHBondContact O-CB 3.43Å; M331-R335 PolarHBondContact O-N 3.38Å; E332-R335 WeakPolarHBondContact O-CB 3.44Å; E332-R335 PolarHBondContact O-N 3.2Å; E332-R335 VanDerWaalsContact O-N 3.1Å; K333-R335 VanDerWaalsContact C-N 3.34Å; R335-S338 PolarHBondContact O-N 3.47Å; R335-S339 PolarHBondContact O-N 3.22Å |
| 336 | E | 98.2 | Very high | 98.3 | Very high | 122 Ų | 122 | 108.9 Ų | 108.9 | 57% | 0.57 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.7 | -49 | 174.1 | -71.3 | 174.4 | 175.6 | 0 | 0 | 111.5 | E332 K333 S338 S339 A340 | E332-E336 WeakPolarHBondContact O-CG 3.44Å; E332-E336 PolarHBondContact O-N 2.98Å; K333-E336 PolarHBondContact O-N 3.49Å; E336-S338 VanDerWaalsContact C-N 3.34Å; E336-S338 PolarHBondContact O-N 3.17Å; E336-S339 WeakPolarHBondContact O-CB 3.49Å; E336-S339 PolarHBondContact O-N 3.15Å; E336-S339 VanDerWaalsContact O-N 3.15Å; E336-A340 PolarHBondContact O-N 3.45Å |
| 337 | A | 98.3 | Very high | 98.3 | Very high | 50 Ų | 50 | 105.4 Ų | 105.4 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K333 S339 A340 L341 | K333-A337 WeakPolarHBondContact O-CB 3.49Å; K333-A337 PolarHBondContact O-N 3.47Å; A337-S339 VanDerWaalsContact C-N 3.34Å; A337-S339 PolarHBondContact O-N 2.75Å; A337-A340 PolarHBondContact O-N 2.96Å; A337-L341 WeakPolarHBondContact O-CG 3.44Å; A337-L341 PolarHBondContact O-N 3.35Å |
| 338 | S | 98.3 | Very high | 98.3 | Very high | 56 Ų | 56 | 104.3 Ų | 104.3 | 39% | 0.392 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 175 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | L334 R335 E336 L341 K342 | L334-S338 WeakPolarHBondContact O-CB 3.42Å; L334-S338 PolarHBondContact O-N 3.34Å; R335-S338 PolarHBondContact O-N 3.47Å; E336-S338 VanDerWaalsContact C-N 3.34Å; E336-S338 PolarHBondContact O-N 3.17Å; S338-L341 PolarHBondContact O-N 2.96Å; S338-K342 WeakPolarHBondContact O-CG 3.46Å; S338-K342 PolarHBondContact O-N 3.45Å |
| 339 | S | 98 | Very high | 98.3 | Very high | 74 Ų | 74 | 106.1 Ų | 106.1 | 52% | 0.517 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 175.4 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | R335 E336 A337 L341 K342 Q343 | R335-S339 PolarHBondContact O-N 3.22Å; E336-S339 WeakPolarHBondContact O-CB 3.49Å; E336-S339 PolarHBondContact O-N 3.15Å; E336-S339 VanDerWaalsContact O-N 3.15Å; A337-S339 VanDerWaalsContact C-N 3.34Å; A337-S339 PolarHBondContact O-N 2.75Å; S339-L341 PolarHBondContact O-N 3.18Å; S339-K342 PolarHBondContact O-N 2.88Å; S339-Q343 PolarHBondContact O-N 3.46Å |
| 340 | A | 98.2 | Very high | 98.3 | Very high | 56 Ų | 56 | 102.2 Ų | 102.2 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E336 A337 Q343 N344 | E336-A340 PolarHBondContact O-N 3.45Å; A337-A340 PolarHBondContact O-N 2.96Å; A340-Q343 PolarHBondContact O-N 3.49Å; A340-N344 WeakPolarHBondContact O-CB 3.49Å; A340-N344 PolarHBondContact O-N 2.93Å |
| 341 | L | 98.3 | Very high | 98.3 | Very high | 120 Ų | 120 | 99.3 Ų | 99.3 | 63% | 0.628 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.1 | -40.8 | 175.4 | -73.4 | 174 | 0 | 0 | 0 | 112.3 | A337 S338 S339 N344 E345 | A337-L341 WeakPolarHBondContact O-CG 3.44Å; A337-L341 PolarHBondContact O-N 3.35Å; S338-L341 PolarHBondContact O-N 2.96Å; S339-L341 PolarHBondContact O-N 3.18Å; L341-N344 PolarHBondContact O-N 3.3Å; L341-E345 WeakPolarHBondContact O-CB 3.47Å; L341-E345 PolarHBondContact O-N 3.49Å |
| 342 | K | 98.5 | Very high | 98.3 | Very high | 131 Ų | 131 | 98.1 Ų | 98.1 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 174.7 | -74 | 174.6 | -178.8 | 177.5 | 0 | 112.1 | S338 S339 E345 V346 | S338-K342 WeakPolarHBondContact O-CG 3.46Å; S338-K342 PolarHBondContact O-N 3.45Å; S339-K342 PolarHBondContact O-N 2.88Å; K342-E345 PolarHBondContact O-N 3.43Å; K342-V346 WeakPolarHBondContact O-CG2 3.38Å; K342-V346 PolarHBondContact O-N 3.27Å |
| 343 | Q | 98.3 | Very high | 98.3 | Very high | 151 Ų | 151 | 96.2 Ų | 96.2 | 71% | 0.706 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 175.9 | -173.7 | 176.9 | 3.4 | 0 | 0 | 111.5 | S339 A340 V346 G347 | S339-Q343 PolarHBondContact O-N 3.46Å; A340-Q343 PolarHBondContact O-N 3.49Å; Q343-V346 PolarHBondContact O-N 3.45Å; Q343-G347 PolarHBondContact O-N 2.85Å |
| 344 | N | 98.1 | Very high | 98.3 | Very high | 88 Ų | 88 | 94 Ų | 94 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 174.4 | -172.2 | -25.7 | 0 | 0 | 0 | 111.1 | A340 L341 V346 G347 L348 | A340-N344 WeakPolarHBondContact O-CB 3.49Å; A340-N344 PolarHBondContact O-N 2.93Å; L341-N344 PolarHBondContact O-N 3.3Å; N344-V346 VanDerWaalsContact C-N 3.33Å; N344-V346 PolarHBondContact O-N 3.47Å; N344-G347 WeakPolarHBondContact O-CA 3.23Å; N344-G347 PolarHBondContact O-N 2.96Å; N344-G347 VanDerWaalsContact O-N 3.08Å; N344-L348 PolarHBondContact O-N 3.2Å; N344-L348 VanDerWaalsContact OD1-CD1 3.26Å; N344-L348 WeakPolarHBondContact OD1-CD1 3.45Å; N344-L348 WeakPolarHBondContact OD1-CG 3.34Å |
| 345 | E | 98.1 | Very high | 98.3 | Very high | 92 Ų | 92 | 92.6 Ų | 92.6 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.2 | -44.1 | 176.2 | -176 | -178.3 | -170.9 | 0 | 0 | 112.3 | L341 K342 G347 L348 R349 | L341-E345 WeakPolarHBondContact O-CB 3.47Å; L341-E345 PolarHBondContact O-N 3.49Å; K342-E345 PolarHBondContact O-N 3.43Å; E345-G347 VanDerWaalsContact C-N 3.35Å; E345-L348 PolarHBondContact O-N 2.86Å; E345-R349 WeakPolarHBondContact O-CB 3.4Å; E345-R349 VanDerWaalsContact O-CG 3.25Å; E345-R349 WeakPolarHBondContact O-CG 3.43Å; E345-R349 PolarHBondContact O-N 2.94Å; E345-R349 IonicContact OE1-CZ 2.66Å; E345-R349 VanDerWaalsContact OE1-CZ 3.29Å; E345-R349 IonicContact OE1-NE 3.92Å; E345-R349 PolarHBondContact OE1-NE 3.39Å; E345-R349 IonicContact OE1-NH2 3.29Å; E345-R349 PolarHBondContact OE1-NH2 3.12Å |
| 346 | V | 98.2 | Very high | 98.3 | Very high | 97 Ų | 97 | 87.4 Ų | 87.4 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | K342 Q343 N344 R349 A350 | K342-V346 WeakPolarHBondContact O-CG2 3.38Å; K342-V346 PolarHBondContact O-N 3.27Å; Q343-V346 PolarHBondContact O-N 3.45Å; N344-V346 VanDerWaalsContact C-N 3.33Å; N344-V346 PolarHBondContact O-N 3.47Å; V346-R349 PolarHBondContact O-N 3.28Å; V346-A350 PolarHBondContact O-N 2.98Å |
| 347 | G | 98.2 | Very high | 98.3 | Very high | 37 Ų | 37 | 87.8 Ų | 87.8 | 38% | 0.381 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q343 N344 E345 R349 A350 V351 | Q343-G347 PolarHBondContact O-N 2.85Å; N344-G347 WeakPolarHBondContact O-CA 3.23Å; N344-G347 PolarHBondContact O-N 2.96Å; N344-G347 VanDerWaalsContact O-N 3.08Å; E345-G347 VanDerWaalsContact C-N 3.35Å; G347-R349 VanDerWaalsContact C-N 3.35Å; G347-R349 PolarHBondContact O-N 3.01Å; G347-A350 WeakPolarHBondContact O-CB 3.45Å; G347-A350 PolarHBondContact O-N 2.7Å; G347-V351 WeakPolarHBondContact O-CG2 3.13Å; G347-V351 PolarHBondContact O-N 3.36Å |
| 348 | L | 98.4 | Very high | 98.3 | Very high | 79 Ų | 79 | 90.5 Ų | 90.5 | 41% | 0.414 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.3 | -71.8 | 173.5 | 0 | 0 | 0 | 112.1 | N344 E345 A350 V351 I352 | N344-L348 PolarHBondContact O-N 3.2Å; N344-L348 VanDerWaalsContact OD1-CD1 3.26Å; N344-L348 WeakPolarHBondContact OD1-CD1 3.45Å; N344-L348 WeakPolarHBondContact OD1-CG 3.34Å; E345-L348 PolarHBondContact O-N 2.86Å; L348-A350 VanDerWaalsContact C-N 3.32Å; L348-A350 PolarHBondContact O-N 3.35Å; L348-V351 PolarHBondContact O-N 2.95Å; L348-I352 WeakPolarHBondContact O-CB 3.49Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.42Å; L348-I352 PolarHBondContact O-N 3.33Å |
| 349 | R | 98.6 | Very high | 98.3 | Very high | 153 Ų | 153 | 92.3 Ų | 92.3 | 58% | 0.577 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.5 | -39.6 | 174.6 | -73.8 | 174.1 | -175 | -170.4 | 1.4 | 112 | E345 V346 G347 S353 | E345-R349 WeakPolarHBondContact O-CB 3.4Å; E345-R349 VanDerWaalsContact O-CG 3.25Å; E345-R349 WeakPolarHBondContact O-CG 3.43Å; E345-R349 PolarHBondContact O-N 2.94Å; E345-R349 IonicContact OE1-CZ 2.66Å; E345-R349 VanDerWaalsContact OE1-CZ 3.29Å; E345-R349 IonicContact OE1-NE 3.92Å; E345-R349 PolarHBondContact OE1-NE 3.39Å; E345-R349 IonicContact OE1-NH2 3.29Å; E345-R349 PolarHBondContact OE1-NH2 3.12Å; V346-R349 PolarHBondContact O-N 3.28Å; G347-R349 VanDerWaalsContact C-N 3.35Å; G347-R349 PolarHBondContact O-N 3.01Å; R349-S353 WeakPolarHBondContact O-CB 3.49Å; R349-S353 PolarHBondContact O-N 3.41Å |
| 350 | A | 98.3 | Very high | 98.4 | Very high | 61 Ų | 61 | 93 Ų | 93 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V346 G347 L348 S353 E354 | V346-A350 PolarHBondContact O-N 2.98Å; G347-A350 WeakPolarHBondContact O-CB 3.45Å; G347-A350 PolarHBondContact O-N 2.7Å; L348-A350 VanDerWaalsContact C-N 3.32Å; L348-A350 PolarHBondContact O-N 3.35Å; A350-S353 WeakPolarHBondContact O-CB 3.35Å; A350-S353 PolarHBondContact O-N 2.84Å; A350-E354 PolarHBondContact O-N 3.43Å |
| 351 | V | 98.2 | Very high | 98.4 | Very high | 51 Ų | 51 | 95.8 Ų | 95.8 | 31% | 0.309 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | I103 G347 L348 S353 E354 L355 | I103-V351 HydrophobicContact CD1-CG2 3.85Å; G347-V351 WeakPolarHBondContact O-CG2 3.13Å; G347-V351 PolarHBondContact O-N 3.36Å; L348-V351 PolarHBondContact O-N 2.95Å; V351-S353 VanDerWaalsContact C-N 3.31Å; V351-S353 PolarHBondContact O-N 2.74Å; V351-E354 PolarHBondContact O-N 2.93Å; V351-L355 HydrophobicContact CG1-CD1 4.09Å; V351-L355 HydrophobicContact CG1-CG 4.42Å; V351-L355 WeakPolarHBondContact O-CG 3.38Å; V351-L355 PolarHBondContact O-N 3.48Å |
| 352 | I | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 92.8 Ų | 92.8 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 175.4 | -69.9 | 165.9 | 0 | 0 | 0 | 110.1 | L348 E354 L355 T356 | L348-I352 WeakPolarHBondContact O-CB 3.49Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.42Å; L348-I352 PolarHBondContact O-N 3.33Å; I352-E354 VanDerWaalsContact C-N 3.32Å; I352-E354 PolarHBondContact O-N 3.37Å; I352-L355 PolarHBondContact O-N 3.15Å; I352-T356 PolarHBondContact O-N 3.5Å; I352-T356 PolarHBondContact O-OG1 2.98Å |
| 353 | S | 98.4 | Very high | 98.3 | Very high | 56 Ų | 56 | 91.9 Ų | 91.9 | 39% | 0.392 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 178.1 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | R349 A350 V351 K357 | R349-S353 WeakPolarHBondContact O-CB 3.49Å; R349-S353 PolarHBondContact O-N 3.41Å; A350-S353 WeakPolarHBondContact O-CB 3.35Å; A350-S353 PolarHBondContact O-N 2.84Å; V351-S353 VanDerWaalsContact C-N 3.31Å; V351-S353 PolarHBondContact O-N 2.74Å; S353-K357 WeakPolarHBondContact O-CG 3.39Å; S353-K357 PolarHBondContact O-N 3.12Å; S353-K357 VanDerWaalsContact O-N 3.09Å |
| 354 | E | 98.4 | Very high | 98.3 | Very high | 98 Ų | 98 | 90.2 Ų | 90.2 | 46% | 0.458 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 176 | -167.5 | -167.4 | 147.5 | 0 | 0 | 111.8 | A350 V351 I352 K357 K358 | A350-E354 PolarHBondContact O-N 3.43Å; V351-E354 PolarHBondContact O-N 2.93Å; I352-E354 VanDerWaalsContact C-N 3.32Å; I352-E354 PolarHBondContact O-N 3.37Å; E354-K357 PolarHBondContact O-N 2.99Å; E354-K358 WeakPolarHBondContact O-CG 3.49Å; E354-K358 PolarHBondContact O-N 3.38Å; E354-K358 VanDerWaalsContact OE1-CE 3.29Å; E354-K358 WeakPolarHBondContact OE1-CE 3.5Å; E354-K358 IonicContact OE1-NZ 3.4Å; E354-K358 PolarHBondContact OE1-NZ 3.17Å |
| 355 | L | 98.5 | Very high | 98.2 | Very high | 92 Ų | 92 | 94.1 Ų | 94.1 | 48% | 0.482 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 176.8 | -71.3 | 175.7 | 0 | 0 | 0 | 111.8 | V351 I352 K357 K358 I359 | V351-L355 HydrophobicContact CG1-CD1 4.09Å; V351-L355 HydrophobicContact CG1-CG 4.42Å; V351-L355 WeakPolarHBondContact O-CG 3.38Å; V351-L355 PolarHBondContact O-N 3.48Å; I352-L355 PolarHBondContact O-N 3.15Å; L355-K357 PolarHBondContact O-N 3.42Å; L355-K358 PolarHBondContact O-N 2.92Å; L355-I359 WeakPolarHBondContact O-CG1 3.29Å; L355-I359 PolarHBondContact O-N 3.41Å |
| 356 | T | 98.6 | Very high | 98.2 | Very high | 68 Ų | 68 | 96.2 Ų | 96.2 | 42% | 0.417 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58 | -47.6 | 173.4 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | I352 K358 I359 D360 | I352-T356 PolarHBondContact O-N 3.5Å; I352-T356 PolarHBondContact O-OG1 2.98Å; T356-K358 VanDerWaalsContact C-N 3.31Å; T356-K358 PolarHBondContact O-N 2.96Å; T356-I359 PolarHBondContact O-N 3.29Å; T356-I359 VanDerWaalsContact O-N 3.15Å; T356-D360 VanDerWaalsContact O-CG 3.26Å; T356-D360 PolarHBondContact O-N 2.97Å |
| 357 | K | 98.4 | Very high | 98.2 | Very high | 130 Ų | 130 | 94.2 Ų | 94.2 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.1 | -40.1 | 175.7 | -71.8 | 173.7 | -176.4 | 177.2 | 0 | 112.6 | S353 E354 L355 D360 Q361 | S353-K357 WeakPolarHBondContact O-CG 3.39Å; S353-K357 PolarHBondContact O-N 3.12Å; S353-K357 VanDerWaalsContact O-N 3.09Å; E354-K357 PolarHBondContact O-N 2.99Å; L355-K357 PolarHBondContact O-N 3.42Å; K357-D360 PolarHBondContact O-N 3.02Å; K357-Q361 WeakPolarHBondContact O-CB 3.44Å; K357-Q361 VanDerWaalsContact O-CG 3.28Å; K357-Q361 WeakPolarHBondContact O-CG 3.37Å; K357-Q361 PolarHBondContact O-N 2.98Å |
| 358 | K | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 98.8 Ų | 98.8 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -39 | 177 | -77.2 | 173.5 | 169.2 | 166 | 0 | 112 | E354 L355 T356 S362 | E354-K358 WeakPolarHBondContact O-CG 3.49Å; E354-K358 PolarHBondContact O-N 3.38Å; E354-K358 VanDerWaalsContact OE1-CE 3.29Å; E354-K358 WeakPolarHBondContact OE1-CE 3.5Å; E354-K358 IonicContact OE1-NZ 3.4Å; E354-K358 PolarHBondContact OE1-NZ 3.17Å; L355-K358 PolarHBondContact O-N 2.92Å; T356-K358 VanDerWaalsContact C-N 3.31Å; T356-K358 PolarHBondContact O-N 2.96Å; K358-S362 WeakPolarHBondContact O-CB 3.41Å; K358-S362 PolarHBondContact O-N 2.79Å |
| 359 | I | 98.5 | Very high | 98.2 | Very high | 93 Ų | 93 | 101.2 Ų | 101.2 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -51.2 | 174 | -69.7 | 166.2 | 0 | 0 | 0 | 109.6 | L355 T356 Q361 S362 E363 | L355-I359 WeakPolarHBondContact O-CG1 3.29Å; L355-I359 PolarHBondContact O-N 3.41Å; T356-I359 PolarHBondContact O-N 3.29Å; T356-I359 VanDerWaalsContact O-N 3.15Å; I359-Q361 VanDerWaalsContact C-N 3.31Å; I359-Q361 PolarHBondContact O-N 3.4Å; I359-S362 CarbonylContact O-C 3.56Å; I359-S362 WeakPolarHBondContact O-CA 3.27Å; I359-S362 VanDerWaalsContact O-CB 3.32Å; I359-S362 WeakPolarHBondContact O-CB 3.41Å; I359-S362 PolarHBondContact O-N 3.49Å; I359-E363 HydrophobicContact CG2-CG 4.25Å; I359-E363 WeakPolarHBondContact O-CG 3.48Å; I359-E363 PolarHBondContact O-N 3.25Å |
| 360 | D | 98.5 | Very high | 98.2 | Very high | 88 Ų | 88 | 96.8 Ų | 96.8 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.8 | -42.9 | 179.3 | -64.3 | -18.6 | 0 | 0 | 0 | 112 | T356 K357 S362 E363 Q364 | T356-D360 VanDerWaalsContact O-CG 3.26Å; T356-D360 PolarHBondContact O-N 2.97Å; K357-D360 PolarHBondContact O-N 3.02Å; D360-S362 VanDerWaalsContact C-N 3.34Å; D360-S362 PolarHBondContact O-N 3.36Å; D360-E363 PolarHBondContact O-N 2.94Å; D360-Q364 WeakPolarHBondContact O-CB 3.48Å; D360-Q364 PolarHBondContact O-N 2.98Å |
| 361 | Q | 98.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 97.6 Ų | 97.6 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 174.8 | -74.6 | 176 | -4 | 0 | 0 | 112.3 | K357 I359 R365 | K357-Q361 WeakPolarHBondContact O-CB 3.44Å; K357-Q361 VanDerWaalsContact O-CG 3.28Å; K357-Q361 WeakPolarHBondContact O-CG 3.37Å; K357-Q361 PolarHBondContact O-N 2.98Å; I359-Q361 VanDerWaalsContact C-N 3.31Å; I359-Q361 PolarHBondContact O-N 3.4Å; Q361-R365 WeakPolarHBondContact O-CG 3.44Å; Q361-R365 PolarHBondContact O-N 3.28Å |
| 362 | S | 96.4 | Very high | 98.2 | Very high | 57 Ų | 57 | 99.9 Ų | 99.9 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 176.3 | -166 | 0 | 0 | 0 | 0 | 111.6 | K358 I359 D360 R365 Q366 | K358-S362 WeakPolarHBondContact O-CB 3.41Å; K358-S362 PolarHBondContact O-N 2.79Å; I359-S362 CarbonylContact O-C 3.56Å; I359-S362 WeakPolarHBondContact O-CA 3.27Å; I359-S362 VanDerWaalsContact O-CB 3.32Å; I359-S362 WeakPolarHBondContact O-CB 3.41Å; I359-S362 PolarHBondContact O-N 3.49Å; D360-S362 VanDerWaalsContact C-N 3.34Å; D360-S362 PolarHBondContact O-N 3.36Å; S362-R365 PolarHBondContact O-N 2.9Å; S362-Q366 PolarHBondContact O-N 3.44Å |
| 363 | E | 98.3 | Very high | 98.2 | Very high | 112 Ų | 112 | 98 Ų | 98 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176 | -70.3 | -177.6 | 171.1 | 0 | 0 | 111.4 | I359 D360 R365 Q366 A367 | I359-E363 HydrophobicContact CG2-CG 4.25Å; I359-E363 WeakPolarHBondContact O-CG 3.48Å; I359-E363 PolarHBondContact O-N 3.25Å; D360-E363 PolarHBondContact O-N 2.94Å; E363-R365 VanDerWaalsContact C-N 3.35Å; E363-R365 PolarHBondContact O-N 2.91Å; E363-Q366 PolarHBondContact O-N 3.33Å; E363-A367 WeakPolarHBondContact O-CB 3.34Å; E363-A367 PolarHBondContact O-N 3.34Å |
| 364 | Q | 98.2 | Very high | 98.2 | Very high | 115 Ų | 115 | 99.3 Ų | 99.3 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 174.3 | -169.3 | -172.8 | 37.6 | 0 | 0 | 111.9 | D360 A367 K368 | D360-Q364 WeakPolarHBondContact O-CB 3.48Å; D360-Q364 PolarHBondContact O-N 2.98Å; Q364-A367 PolarHBondContact O-N 3.19Å; Q364-K368 WeakPolarHBondContact O-CG 3.39Å; Q364-K368 PolarHBondContact O-N 2.92Å |
| 365 | R | 97.9 | Very high | 98.2 | Very high | 170 Ų | 170 | 99.5 Ų | 99.5 | 64% | 0.642 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 175.2 | -75.4 | -173.6 | -63.7 | -173.6 | 2.3 | 111.4 | Q361 S362 E363 K368 F369 | Q361-R365 WeakPolarHBondContact O-CG 3.44Å; Q361-R365 PolarHBondContact O-N 3.28Å; S362-R365 PolarHBondContact O-N 2.9Å; E363-R365 VanDerWaalsContact C-N 3.35Å; E363-R365 PolarHBondContact O-N 2.91Å; R365-K368 PolarHBondContact O-N 3.41Å; R365-F369 WeakPolarHBondContact O-CB 3.33Å; R365-F369 PolarHBondContact O-N 3.43Å |
| 366 | Q | 98.1 | Very high | 98.1 | Very high | 137 Ų | 137 | 100.1 Ų | 100.1 | 64% | 0.64 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 176.9 | -175 | 179.6 | -3 | 0 | 0 | 111.7 | S362 E363 F369 S370 | S362-Q366 PolarHBondContact O-N 3.44Å; E363-Q366 PolarHBondContact O-N 3.33Å; Q366-F369 PolarHBondContact O-N 2.87Å; Q366-S370 WeakPolarHBondContact O-CB 3.33Å; Q366-S370 PolarHBondContact O-N 3.24Å |
| 367 | A | 98.3 | Very high | 98.1 | Very high | 55 Ų | 55 | 100.5 Ų | 100.5 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E363 Q364 S370 T371 | E363-A367 WeakPolarHBondContact O-CB 3.34Å; E363-A367 PolarHBondContact O-N 3.34Å; Q364-A367 PolarHBondContact O-N 3.19Å; A367-S370 PolarHBondContact O-N 3.44Å; A367-T371 PolarHBondContact O-N 3.47Å; A367-T371 PolarHBondContact O-OG1 3.26Å |
| 368 | K | 98.2 | Very high | 98.1 | Very high | 133 Ų | 133 | 97.2 Ų | 97.2 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 173.5 | -73.9 | 177.5 | 179 | -178.7 | 0 | 111.6 | Q364 R365 T371 Y372 | Q364-K368 WeakPolarHBondContact O-CG 3.39Å; Q364-K368 PolarHBondContact O-N 2.92Å; R365-K368 PolarHBondContact O-N 3.41Å; K368-T371 PolarHBondContact O-N 3.43Å; K368-Y372 PolarHBondContact O-N 3.03Å |
| 369 | F | 98.1 | Very high | 98.1 | Very high | 129 Ų | 129 | 95.4 Ų | 95.4 | 57% | 0.566 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 178.8 | -177.8 | -113.5 | 0 | 0 | 0 | 112.6 | R365 Q366 Y372 I373 | R365-F369 WeakPolarHBondContact O-CB 3.33Å; R365-F369 PolarHBondContact O-N 3.43Å; Q366-F369 PolarHBondContact O-N 2.87Å; F369-Y372 PolarHBondContact O-N 3.3Å; F369-I373 HydrophobicContact CD1-CD1 3.81Å; F369-I373 HydrophobicContact CE1-CD1 3.28Å; F369-I373 HydrophobicContact CE1-CG1 4.33Å; F369-I373 HydrophobicContact CE2-CD1 4.09Å; F369-I373 HydrophobicContact CE2-CG1 4.36Å; F369-I373 HydrophobicContact CG-CD1 4.43Å; F369-I373 HydrophobicContact CZ-CD1 3.45Å; F369-I373 VanDerWaalsContact CZ-CD1 3.45Å; F369-I373 HydrophobicContact CZ-CG1 4.18Å; F369-I373 WeakPolarHBondContact O-CG1 3.35Å; F369-I373 PolarHBondContact O-N 2.92Å |
| 370 | S | 98.2 | Very high | 98 | Very high | 61 Ų | 61 | 96.9 Ų | 96.9 | 43% | 0.427 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 174.3 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | Q366 A367 Y372 I373 D374 | Q366-S370 WeakPolarHBondContact O-CB 3.33Å; Q366-S370 PolarHBondContact O-N 3.24Å; A367-S370 PolarHBondContact O-N 3.44Å; S370-Y372 VanDerWaalsContact C-N 3.32Å; S370-Y372 PolarHBondContact O-N 2.86Å; S370-I373 PolarHBondContact O-N 3.37Å; S370-D374 VanDerWaalsContact O-CG 3.31Å; S370-D374 PolarHBondContact O-N 2.9Å |
| 371 | T | 98.3 | Very high | 98 | Very high | 78 Ų | 78 | 97.6 Ų | 97.6 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 177.7 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | A367 K368 I373 D374 D375 | A367-T371 PolarHBondContact O-N 3.47Å; A367-T371 PolarHBondContact O-OG1 3.26Å; K368-T371 PolarHBondContact O-N 3.43Å; T371-I373 PolarHBondContact O-N 3.31Å; T371-D374 PolarHBondContact O-N 2.92Å; T371-D375 WeakPolarHBondContact O-CB 3.32Å; T371-D375 PolarHBondContact O-N 2.87Å |
| 372 | Y | 98 | Very high | 98 | Very high | 98 Ų | 98 | 95.4 Ų | 95.4 | 38% | 0.384 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 176.1 | 172.6 | -101.3 | 0 | 0 | 0 | 112.9 | K368 F369 S370 D375 K376 | K368-Y372 PolarHBondContact O-N 3.03Å; F369-Y372 PolarHBondContact O-N 3.3Å; S370-Y372 VanDerWaalsContact C-N 3.32Å; S370-Y372 PolarHBondContact O-N 2.86Å; Y372-D375 PolarHBondContact O-N 3.25Å; Y372-K376 WeakPolarHBondContact O-CB 3.31Å; Y372-K376 PolarHBondContact O-N 3.48Å |
| 373 | I | 98.1 | Very high | 98 | Very high | 64 Ų | 64 | 95.1 Ų | 95.1 | 33% | 0.328 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 175.5 | -73.2 | 173.9 | 0 | 0 | 0 | 110.4 | F369 S370 T371 D375 K376 I377 | F369-I373 HydrophobicContact CD1-CD1 3.81Å; F369-I373 HydrophobicContact CE1-CD1 3.28Å; F369-I373 HydrophobicContact CE1-CG1 4.33Å; F369-I373 HydrophobicContact CE2-CD1 4.09Å; F369-I373 HydrophobicContact CE2-CG1 4.36Å; F369-I373 HydrophobicContact CG-CD1 4.43Å; F369-I373 HydrophobicContact CZ-CD1 3.45Å; F369-I373 VanDerWaalsContact CZ-CD1 3.45Å; F369-I373 HydrophobicContact CZ-CG1 4.18Å; F369-I373 WeakPolarHBondContact O-CG1 3.35Å; F369-I373 PolarHBondContact O-N 2.92Å; S370-I373 PolarHBondContact O-N 3.37Å; T371-I373 PolarHBondContact O-N 3.31Å; I373-D375 VanDerWaalsContact C-N 3.33Å; I373-D375 PolarHBondContact O-N 3.48Å; I373-K376 PolarHBondContact O-N 2.93Å; I373-I377 HydrophobicContact CG2-CD1 3.6Å; I373-I377 HydrophobicContact CG2-CG1 4.2Å; I373-I377 WeakPolarHBondContact O-CB 3.33Å; I373-I377 VanDerWaalsContact O-CG1 3.28Å; I373-I377 WeakPolarHBondContact O-CG1 3.49Å; I373-I377 PolarHBondContact O-N 3.23Å |
| 374 | D | 98.2 | Very high | 98 | Very high | 84 Ų | 84 | 96.9 Ų | 96.9 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | -179.5 | -70.6 | -32.2 | 0 | 0 | 0 | 111.8 | S370 T371 S378 | S370-D374 VanDerWaalsContact O-CG 3.31Å; S370-D374 PolarHBondContact O-N 2.9Å; T371-D374 PolarHBondContact O-N 2.92Å; D374-S378 VanDerWaalsContact O-CB 3.29Å; D374-S378 WeakPolarHBondContact O-CB 3.26Å; D374-S378 PolarHBondContact O-N 2.95Å; D374-S378 PolarHBondContact O-OG 3.41Å |
| 375 | D | 98.1 | Very high | 98 | Very high | 103 Ų | 103 | 97.7 Ų | 97.7 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 174 | -74.8 | -19.1 | 0 | 0 | 0 | 111.6 | T371 Y372 I373 S378 S379 | T371-D375 WeakPolarHBondContact O-CB 3.32Å; T371-D375 PolarHBondContact O-N 2.87Å; Y372-D375 PolarHBondContact O-N 3.25Å; I373-D375 VanDerWaalsContact C-N 3.33Å; I373-D375 PolarHBondContact O-N 3.48Å; D375-S378 PolarHBondContact O-N 2.93Å; D375-S379 WeakPolarHBondContact O-CB 3.42Å; D375-S379 PolarHBondContact O-N 3.26Å |
| 376 | K | 98.2 | Very high | 98 | Very high | 105 Ų | 105 | 95.7 Ų | 95.7 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 177.2 | -169.5 | 69.6 | 173.7 | -165.7 | 0 | 111.5 | Y372 I373 S379 M380 | Y372-K376 WeakPolarHBondContact O-CB 3.31Å; Y372-K376 PolarHBondContact O-N 3.48Å; I373-K376 PolarHBondContact O-N 2.93Å; K376-S379 PolarHBondContact O-N 3.26Å; K376-M380 WeakPolarHBondContact O-CG 3.41Å; K376-M380 PolarHBondContact O-N 3.17Å |
| 377 | I | 98.1 | Very high | 98 | Very high | 76 Ų | 76 | 94.1 Ų | 94.1 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 174.1 | -71.6 | 172.1 | 0 | 0 | 0 | 109.7 | I373 S379 M380 Q381 | I373-I377 HydrophobicContact CG2-CD1 3.6Å; I373-I377 HydrophobicContact CG2-CG1 4.2Å; I373-I377 WeakPolarHBondContact O-CB 3.33Å; I373-I377 VanDerWaalsContact O-CG1 3.28Å; I373-I377 WeakPolarHBondContact O-CG1 3.49Å; I373-I377 PolarHBondContact O-N 3.23Å; I377-S379 PolarHBondContact O-N 2.92Å; I377-M380 PolarHBondContact O-N 3.2Å; I377-Q381 HydrophobicContact CG2-CG 4.33Å; I377-Q381 WeakPolarHBondContact O-CB 3.34Å; I377-Q381 VanDerWaalsContact O-CG 3.25Å; I377-Q381 WeakPolarHBondContact O-CG 3.47Å; I377-Q381 PolarHBondContact O-N 2.97Å |
| 378 | S | 98 | Very high | 97.9 | Very high | 61 Ų | 61 | 96.4 Ų | 96.4 | 43% | 0.427 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 178.8 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | D374 D375 Q381 T382 | D374-S378 VanDerWaalsContact O-CB 3.29Å; D374-S378 WeakPolarHBondContact O-CB 3.26Å; D374-S378 PolarHBondContact O-N 2.95Å; D374-S378 PolarHBondContact O-OG 3.41Å; D375-S378 PolarHBondContact O-N 2.93Å; S378-Q381 PolarHBondContact O-N 2.82Å; S378-T382 WeakPolarHBondContact O-CG2 3.34Å; S378-T382 PolarHBondContact O-N 3.4Å; S378-T382 PolarHBondContact O-OG1 3.41Å |
| 379 | S | 97.6 | Very high | 97.9 | Very high | 69 Ų | 69 | 97.2 Ų | 97.2 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175 | -179.4 | 0 | 0 | 0 | 0 | 112.9 | D375 K376 I377 Q381 T382 A383 | D375-S379 WeakPolarHBondContact O-CB 3.42Å; D375-S379 PolarHBondContact O-N 3.26Å; K376-S379 PolarHBondContact O-N 3.26Å; I377-S379 PolarHBondContact O-N 2.92Å; S379-Q381 VanDerWaalsContact C-N 3.32Å; S379-Q381 PolarHBondContact O-N 2.94Å; S379-T382 WeakPolarHBondContact CA-OG1 3.27Å; S379-T382 PolarHBondContact O-N 2.88Å; S379-T382 PolarHBondContact O-OG1 2.88Å; S379-A383 WeakPolarHBondContact O-CB 3.45Å; S379-A383 PolarHBondContact O-N 3.3Å |
| 380 | M | 97.3 | Very high | 97.9 | Very high | 124 Ų | 124 | 94 Ų | 94 | 61% | 0.611 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.2 | -36.4 | 174.1 | -73.8 | -179 | 63.6 | 0 | 0 | 112.2 | K376 I377 K384 | K376-M380 WeakPolarHBondContact O-CG 3.41Å; K376-M380 PolarHBondContact O-N 3.17Å; I377-M380 PolarHBondContact O-N 3.2Å; M380-K384 WeakPolarHBondContact O-CB 3.41Å; M380-K384 PolarHBondContact O-N 2.9Å |
| 381 | Q | 98.1 | Very high | 97.8 | Very high | 103 Ų | 103 | 96.4 Ų | 96.4 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 176.8 | -74 | 178.8 | 7 | 0 | 0 | 112.4 | I377 S378 S379 K385 | I377-Q381 HydrophobicContact CG2-CG 4.33Å; I377-Q381 WeakPolarHBondContact O-CB 3.34Å; I377-Q381 VanDerWaalsContact O-CG 3.25Å; I377-Q381 WeakPolarHBondContact O-CG 3.47Å; I377-Q381 PolarHBondContact O-N 2.97Å; S378-Q381 PolarHBondContact O-N 2.82Å; S379-Q381 VanDerWaalsContact C-N 3.32Å; S379-Q381 PolarHBondContact O-N 2.94Å; Q381-K385 WeakPolarHBondContact O-CG 3.5Å; Q381-K385 PolarHBondContact O-N 3.26Å |
| 382 | T | 97.8 | Very high | 97.8 | Very high | 70 Ų | 70 | 96.6 Ų | 96.6 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -46.8 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | S378 S379 K384 K385 E386 | S378-T382 WeakPolarHBondContact O-CG2 3.34Å; S378-T382 PolarHBondContact O-N 3.4Å; S378-T382 PolarHBondContact O-OG1 3.41Å; S379-T382 WeakPolarHBondContact CA-OG1 3.27Å; S379-T382 PolarHBondContact O-N 2.88Å; S379-T382 PolarHBondContact O-OG1 2.88Å; T382-K384 VanDerWaalsContact C-N 3.32Å; T382-K384 PolarHBondContact O-N 3.45Å; T382-K385 WeakPolarHBondContact O-CB 3.43Å; T382-K385 PolarHBondContact O-N 3.02Å; T382-K385 VanDerWaalsContact O-N 3.07Å; T382-E386 WeakPolarHBondContact O-CG 3.49Å; T382-E386 PolarHBondContact O-N 2.81Å |
| 383 | A | 97.7 | Very high | 97.7 | Very high | 51 Ų | 51 | 94.5 Ų | 94.5 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S379 K385 E386 L387 | S379-A383 WeakPolarHBondContact O-CB 3.45Å; S379-A383 PolarHBondContact O-N 3.3Å; A383-K385 PolarHBondContact O-N 3.04Å; A383-E386 PolarHBondContact O-N 2.91Å; A383-L387 WeakPolarHBondContact O-CB 3.03Å; A383-L387 PolarHBondContact O-N 3.21Å |
| 384 | K | 97.5 | Very high | 97.7 | Very high | 148 Ų | 148 | 95.2 Ų | 95.2 | 64% | 0.643 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.4 | -44.5 | 173.5 | -179.5 | 178.1 | 179 | 175.9 | 0 | 111.9 | M380 T382 L387 M388 | M380-K384 WeakPolarHBondContact O-CB 3.41Å; M380-K384 PolarHBondContact O-N 2.9Å; T382-K384 VanDerWaalsContact C-N 3.32Å; T382-K384 PolarHBondContact O-N 3.45Å; K384-L387 PolarHBondContact O-N 3.49Å; K384-M388 WeakPolarHBondContact O-CB 3.37Å; K384-M388 VanDerWaalsContact O-CG 3.26Å; K384-M388 WeakPolarHBondContact O-CG 3.48Å; K384-M388 PolarHBondContact O-N 3.35Å |
| 385 | K | 98 | Very high | 97.6 | Very high | 133 Ų | 133 | 95.4 Ų | 95.4 | 58% | 0.578 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 177.9 | -75.1 | 170.7 | -177.4 | 171 | 0 | 111.5 | Q381 T382 A383 M388 K389 | Q381-K385 WeakPolarHBondContact O-CG 3.5Å; Q381-K385 PolarHBondContact O-N 3.26Å; T382-K385 WeakPolarHBondContact O-CB 3.43Å; T382-K385 PolarHBondContact O-N 3.02Å; T382-K385 VanDerWaalsContact O-N 3.07Å; A383-K385 PolarHBondContact O-N 3.04Å; K385-M388 PolarHBondContact O-N 2.9Å; K385-K389 WeakPolarHBondContact O-CG 3.05Å; K385-K389 PolarHBondContact O-N 3.48Å |
| 386 | E | 97.6 | Very high | 97.6 | Very high | 128 Ų | 128 | 96.9 Ų | 96.9 | 60% | 0.598 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65 | -45 | 176.7 | -72.3 | 176.5 | 178.2 | 0 | 0 | 112.1 | T382 A383 M388 K389 S390 | T382-E386 WeakPolarHBondContact O-CG 3.49Å; T382-E386 PolarHBondContact O-N 2.81Å; A383-E386 PolarHBondContact O-N 2.91Å; E386-M388 VanDerWaalsContact C-N 3.33Å; E386-M388 PolarHBondContact O-N 3.45Å; E386-K389 WeakPolarHBondContact O-CB 3.4Å; E386-K389 PolarHBondContact O-N 3.26Å; E386-S390 WeakPolarHBondContact O-CB 3.49Å; E386-S390 PolarHBondContact O-N 3.45Å |
| 387 | L | 98.1 | Very high | 97.5 | Very high | 104 Ų | 104 | 94.8 Ų | 94.8 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 174.5 | -178.7 | 64.6 | 0 | 0 | 0 | 111.2 | A383 K384 S390 K391 | A383-L387 WeakPolarHBondContact O-CB 3.03Å; A383-L387 PolarHBondContact O-N 3.21Å; K384-L387 PolarHBondContact O-N 3.49Å; L387-S390 PolarHBondContact O-N 3.38Å; L387-K391 HydrophobicContact CD1-CG 4.32Å; L387-K391 HydrophobicContact CG-CG 4.47Å; L387-K391 WeakPolarHBondContact O-CB 3.31Å; L387-K391 VanDerWaalsContact O-CG 3.29Å; L387-K391 WeakPolarHBondContact O-CG 3.37Å; L387-K391 PolarHBondContact O-N 2.64Å |
| 388 | M | 97.7 | Very high | 97.5 | Very high | 102 Ų | 102 | 95.5 Ų | 95.5 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 177.1 | -70.9 | -62.6 | -68.5 | 0 | 0 | 112.5 | K384 K385 E386 N392 | K384-M388 WeakPolarHBondContact O-CB 3.37Å; K384-M388 VanDerWaalsContact O-CG 3.26Å; K384-M388 WeakPolarHBondContact O-CG 3.48Å; K384-M388 PolarHBondContact O-N 3.35Å; K385-M388 PolarHBondContact O-N 2.9Å; E386-M388 VanDerWaalsContact C-N 3.33Å; E386-M388 PolarHBondContact O-N 3.45Å; M388-N392 VanDerWaalsContact O-CB 3.3Å; M388-N392 WeakPolarHBondContact O-CB 3.39Å; M388-N392 PolarHBondContact O-N 3.35Å; M388-N392 PolarHBondContact O-ND2 2.88Å |
| 389 | K | 97.6 | Very high | 97.5 | Very high | 151 Ų | 151 | 98.8 Ų | 98.8 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 174.1 | -75.8 | 175 | -179.4 | -179.7 | 0 | 111.4 | K385 E386 N392 A393 | K385-K389 WeakPolarHBondContact O-CG 3.05Å; K385-K389 PolarHBondContact O-N 3.48Å; E386-K389 WeakPolarHBondContact O-CB 3.4Å; E386-K389 PolarHBondContact O-N 3.26Å; K389-N392 PolarHBondContact O-N 3.11Å; K389-A393 PolarHBondContact O-N 3.21Å |
| 390 | S | 97.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 98.2 Ų | 98.2 | 43% | 0.427 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | E386 L387 N392 A393 D394 | E386-S390 WeakPolarHBondContact O-CB 3.49Å; E386-S390 PolarHBondContact O-N 3.45Å; L387-S390 PolarHBondContact O-N 3.38Å; S390-N392 VanDerWaalsContact C-N 3.33Å; S390-N392 PolarHBondContact O-N 3.31Å; S390-A393 WeakPolarHBondContact O-CB 3.41Å; S390-A393 PolarHBondContact O-N 3.48Å; S390-A393 VanDerWaalsContact O-N 3.14Å; S390-D394 PolarHBondContact O-N 2.93Å |
| 391 | K | 97.3 | Very high | 97.4 | Very high | 112 Ų | 112 | 96.4 Ų | 96.4 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 176.7 | -69.2 | -62.3 | 180 | -168.3 | 0 | 113.4 | L387 L395 | L387-K391 HydrophobicContact CD1-CG 4.32Å; L387-K391 HydrophobicContact CG-CG 4.47Å; L387-K391 WeakPolarHBondContact O-CB 3.31Å; L387-K391 VanDerWaalsContact O-CG 3.29Å; L387-K391 WeakPolarHBondContact O-CG 3.37Å; L387-K391 PolarHBondContact O-N 2.64Å; K391-L395 WeakPolarHBondContact O-CB 3.43Å; K391-L395 VanDerWaalsContact O-CG 3.28Å; K391-L395 WeakPolarHBondContact O-CG 3.22Å; K391-L395 PolarHBondContact O-N 2.88Å |
| 392 | N | 97.4 | Very high | 97.3 | Very high | 81 Ų | 81 | 95.5 Ų | 95.5 | 43% | 0.433 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 174.8 | -74.9 | -20.4 | 0 | 0 | 0 | 111.7 | M388 K389 S390 L395 E396 | M388-N392 VanDerWaalsContact O-CB 3.3Å; M388-N392 WeakPolarHBondContact O-CB 3.39Å; M388-N392 PolarHBondContact O-N 3.35Å; M388-N392 PolarHBondContact O-ND2 2.88Å; K389-N392 PolarHBondContact O-N 3.11Å; S390-N392 VanDerWaalsContact C-N 3.33Å; S390-N392 PolarHBondContact O-N 3.31Å; N392-L395 PolarHBondContact O-N 2.97Å; N392-E396 WeakPolarHBondContact O-CB 3.35Å; N392-E396 WeakPolarHBondContact O-CG 3.42Å; N392-E396 PolarHBondContact O-N 3.43Å |
| 393 | A | 97.1 | Very high | 97.3 | Very high | 54 Ų | 54 | 99.4 Ų | 99.4 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K389 S390 L395 E396 A397 | K389-A393 PolarHBondContact O-N 3.21Å; S390-A393 WeakPolarHBondContact O-CB 3.41Å; S390-A393 PolarHBondContact O-N 3.48Å; S390-A393 VanDerWaalsContact O-N 3.14Å; A393-L395 PolarHBondContact O-N 3.46Å; A393-E396 PolarHBondContact O-N 3.49Å; A393-A397 WeakPolarHBondContact O-CB 3.37Å; A393-A397 PolarHBondContact O-N 3.42Å |
| 394 | D | 96.8 | Very high | 97.2 | Very high | 80 Ų | 80 | 104.3 Ų | 104.3 | 43% | 0.428 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 174.1 | -70.6 | -16.5 | 0 | 0 | 0 | 111.5 | S390 E396 A397 L398 | S390-D394 PolarHBondContact O-N 2.93Å; D394-E396 PolarHBondContact O-N 2.9Å; D394-A397 PolarHBondContact O-N 3.43Å; D394-L398 WeakPolarHBondContact O-CB 3.26Å; D394-L398 WeakPolarHBondContact O-CG 3.48Å; D394-L398 PolarHBondContact O-N 2.89Å |
| 395 | L | 97.1 | Very high | 97.1 | Very high | 88 Ų | 88 | 103.1 Ų | 103.1 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.7 | -78.1 | 173.9 | 0 | 0 | 0 | 112.2 | K391 N392 A393 K399 | K391-L395 WeakPolarHBondContact O-CB 3.43Å; K391-L395 VanDerWaalsContact O-CG 3.28Å; K391-L395 WeakPolarHBondContact O-CG 3.22Å; K391-L395 PolarHBondContact O-N 2.88Å; N392-L395 PolarHBondContact O-N 2.97Å; A393-L395 PolarHBondContact O-N 3.46Å; L395-K399 WeakPolarHBondContact O-CB 3.43Å; L395-K399 WeakPolarHBondContact O-CG 3.42Å; L395-K399 PolarHBondContact O-N 3.39Å |
| 396 | E | 97.3 | Very high | 97.1 | Very high | 134 Ų | 134 | 103.4 Ų | 103.4 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.2 | -42 | 175.7 | -76.3 | 178.9 | -175.5 | 0 | 0 | 112 | N392 A393 D394 K399 A400 | N392-E396 WeakPolarHBondContact O-CB 3.35Å; N392-E396 WeakPolarHBondContact O-CG 3.42Å; N392-E396 PolarHBondContact O-N 3.43Å; A393-E396 PolarHBondContact O-N 3.49Å; D394-E396 PolarHBondContact O-N 2.9Å; E396-K399 PolarHBondContact O-N 3.2Å; E396-A400 WeakPolarHBondContact O-CB 3.49Å; E396-A400 PolarHBondContact O-N 2.99Å |
| 397 | A | 96.9 | Very high | 97 | Very high | 60 Ų | 60 | 102.1 Ų | 102.1 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A393 D394 K399 A400 Q401 | A393-A397 WeakPolarHBondContact O-CB 3.37Å; A393-A397 PolarHBondContact O-N 3.42Å; D394-A397 PolarHBondContact O-N 3.43Å; A397-K399 PolarHBondContact O-N 3.14Å; A397-A400 WeakPolarHBondContact O-CB 3.4Å; A397-A400 PolarHBondContact O-N 3.39Å; A397-Q401 PolarHBondContact O-N 3.4Å |
| 398 | L | 97.1 | Very high | 96.9 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 174.9 | -75.8 | 170.6 | 0 | 0 | 0 | 111.8 | D394 A400 Q401 C402 | D394-L398 WeakPolarHBondContact O-CB 3.26Å; D394-L398 WeakPolarHBondContact O-CG 3.48Å; D394-L398 PolarHBondContact O-N 2.89Å; L398-A400 VanDerWaalsContact C-N 3.32Å; L398-A400 PolarHBondContact O-N 3.27Å; L398-Q401 PolarHBondContact O-N 3.44Å; L398-C402 WeakPolarHBondContact O-CB 3.48Å; L398-C402 PolarHBondContact O-N 3.04Å; L398-C402 PolarHBondContact O-SG 2.99Å |
| 399 | K | 97.5 | Very high | 96.8 | Very high | 130 Ų | 130 | 100.3 Ų | 100.3 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.3 | -41.5 | 174.3 | -78.5 | 170.7 | -177 | 173.2 | 0 | 111.7 | L395 E396 A397 C402 K403 | L395-K399 WeakPolarHBondContact O-CB 3.43Å; L395-K399 WeakPolarHBondContact O-CG 3.42Å; L395-K399 PolarHBondContact O-N 3.39Å; E396-K399 PolarHBondContact O-N 3.2Å; A397-K399 PolarHBondContact O-N 3.14Å; K399-C402 PolarHBondContact O-N 2.96Å; K399-K403 WeakPolarHBondContact O-CG 3.5Å; K399-K403 PolarHBondContact O-N 2.93Å |
| 400 | A | 96.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 98.5 Ų | 98.5 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | E396 A397 L398 K403 K404 | E396-A400 WeakPolarHBondContact O-CB 3.49Å; E396-A400 PolarHBondContact O-N 2.99Å; A397-A400 WeakPolarHBondContact O-CB 3.4Å; A397-A400 PolarHBondContact O-N 3.39Å; L398-A400 VanDerWaalsContact C-N 3.32Å; L398-A400 PolarHBondContact O-N 3.27Å; A400-K403 WeakPolarHBondContact O-CB 3.36Å; A400-K403 PolarHBondContact O-N 3.47Å; A400-K404 PolarHBondContact O-N 2.97Å |
| 401 | Q | 96.7 | Very high | 96.6 | Very high | 87 Ų | 87 | 98.4 Ų | 98.4 | 41% | 0.407 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 175.2 | -172.3 | -179.2 | 15.9 | 0 | 0 | 111.8 | A397 L398 K403 K404 Y405 | A397-Q401 PolarHBondContact O-N 3.4Å; L398-Q401 PolarHBondContact O-N 3.44Å; Q401-K403 VanDerWaalsContact C-N 3.31Å; Q401-K403 PolarHBondContact O-N 2.88Å; Q401-K404 WeakPolarHBondContact O-CB 3.35Å; Q401-K404 PolarHBondContact O-N 3.29Å; Q401-Y405 HydrophobicContact CG-CD2 3.79Å; Q401-Y405 HydrophobicContact CG-CE2 3.33Å; Q401-Y405 PolarHBondContact NE2-OH 3.28Å; Q401-Y405 VanDerWaalsContact O-CD2 3.31Å; Q401-Y405 WeakPolarHBondContact O-CD2 3.27Å; Q401-Y405 PolarHBondContact O-N 2.89Å |
| 402 | C | 96.2 | Very high | 96.5 | Very high | 84 Ų | 84 | 98.7 Ų | 98.7 | 57% | 0.568 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.1 | -42.1 | 173.3 | -74.8 | 0 | 0 | 0 | 0 | 111.9 | L398 K399 K406 | L398-C402 WeakPolarHBondContact O-CB 3.48Å; L398-C402 PolarHBondContact O-N 3.04Å; L398-C402 PolarHBondContact O-SG 2.99Å; K399-C402 PolarHBondContact O-N 2.96Å; C402-K406 VanDerWaalsContact O-CB 3.3Å; C402-K406 WeakPolarHBondContact O-CB 3.35Å; C402-K406 PolarHBondContact O-N 3.48Å |
| 403 | K | 97.2 | Very high | 96.4 | Very high | 152 Ų | 152 | 100.4 Ų | 100.4 | 66% | 0.661 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -44.9 | 174.5 | -73.7 | 174.7 | -178.2 | 179.3 | 0 | 111.8 | K399 A400 Q401 K406 V407 | K399-K403 WeakPolarHBondContact O-CG 3.5Å; K399-K403 PolarHBondContact O-N 2.93Å; A400-K403 WeakPolarHBondContact O-CB 3.36Å; A400-K403 PolarHBondContact O-N 3.47Å; Q401-K403 VanDerWaalsContact C-N 3.31Å; Q401-K403 PolarHBondContact O-N 2.88Å; K403-K406 PolarHBondContact O-N 2.9Å; K403-V407 WeakPolarHBondContact O-CG2 3.47Å; K403-V407 PolarHBondContact O-N 2.92Å |
| 404 | K | 96.9 | Very high | 96.3 | Very high | 154 Ų | 154 | 103.8 Ų | 103.8 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.5 | -50.4 | 176.4 | -179.1 | -177.6 | 176.8 | -179.4 | 0 | 111.4 | A400 Q401 K406 V407 L408 | A400-K404 PolarHBondContact O-N 2.97Å; Q401-K404 WeakPolarHBondContact O-CB 3.35Å; Q401-K404 PolarHBondContact O-N 3.29Å; K404-K406 VanDerWaalsContact C-N 3.33Å; K404-K406 PolarHBondContact O-N 3.45Å; K404-V407 PolarHBondContact O-N 2.92Å; K404-L408 PolarHBondContact O-N 3.36Å |
| 405 | Y | 95.6 | Very high | 96.1 | Very high | 122 Ų | 122 | 103.7 Ų | 103.7 | 48% | 0.478 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 177.6 | -70.7 | -51.6 | 0 | 0 | 0 | 112.4 | Q401 V407 L408 I409 | Q401-Y405 HydrophobicContact CG-CD2 3.79Å; Q401-Y405 HydrophobicContact CG-CE2 3.33Å; Q401-Y405 PolarHBondContact NE2-OH 3.28Å; Q401-Y405 VanDerWaalsContact O-CD2 3.31Å; Q401-Y405 WeakPolarHBondContact O-CD2 3.27Å; Q401-Y405 PolarHBondContact O-N 2.89Å; Y405-V407 PolarHBondContact O-N 3.42Å; Y405-L408 PolarHBondContact O-N 2.88Å; Y405-I409 WeakPolarHBondContact O-CB 3.44Å; Y405-I409 WeakPolarHBondContact O-CG1 3.36Å; Y405-I409 PolarHBondContact O-N 3.22Å |
| 406 | K | 97 | Very high | 95.9 | Very high | 140 Ų | 140 | 103.1 Ų | 103.1 | 61% | 0.609 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.6 | -40.3 | 175.7 | -169.8 | 171.4 | -174.4 | 171.8 | 0 | 112.5 | C402 K403 K404 K410 | C402-K406 VanDerWaalsContact O-CB 3.3Å; C402-K406 WeakPolarHBondContact O-CB 3.35Å; C402-K406 PolarHBondContact O-N 3.48Å; K403-K406 PolarHBondContact O-N 2.9Å; K404-K406 VanDerWaalsContact C-N 3.33Å; K404-K406 PolarHBondContact O-N 3.45Å; K406-K410 WeakPolarHBondContact O-CG 3.29Å; K406-K410 PolarHBondContact O-N 2.84Å; K406-K410 VanDerWaalsContact O-N 3.12Å |
| 407 | V | 95.8 | Very high | 95.7 | Very high | 100 Ų | 100 | 100.6 Ų | 100.6 | 61% | 0.606 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.2 | -43.1 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 111 | K403 K404 Y405 K410 S411 | K403-V407 WeakPolarHBondContact O-CG2 3.47Å; K403-V407 PolarHBondContact O-N 2.92Å; K404-V407 PolarHBondContact O-N 2.92Å; Y405-V407 PolarHBondContact O-N 3.42Å; V407-K410 PolarHBondContact O-N 2.95Å; V407-S411 PolarHBondContact O-N 3.44Å |
| 408 | L | 96.5 | Very high | 95.5 | Very high | 75 Ų | 75 | 103.2 Ų | 103.2 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 178.3 | -172.6 | 64.9 | 0 | 0 | 0 | 112.1 | K404 Y405 K410 S411 F412 | K404-L408 PolarHBondContact O-N 3.36Å; Y405-L408 PolarHBondContact O-N 2.88Å; L408-K410 VanDerWaalsContact C-N 3.35Å; L408-K410 PolarHBondContact O-N 3.35Å; L408-S411 PolarHBondContact O-N 3.15Å; L408-F412 HydrophobicContact CD1-CD2 4.34Å; L408-F412 HydrophobicContact CD1-CE2 3.77Å; L408-F412 HydrophobicContact CD1-CZ 3.87Å; L408-F412 HydrophobicContact CD2-CE2 3.89Å; L408-F412 HydrophobicContact CD2-CZ 4.49Å; L408-F412 HydrophobicContact CG-CD2 3.94Å; L408-F412 HydrophobicContact CG-CE2 3.51Å; L408-F412 HydrophobicContact CG-CZ 4.13Å; L408-F412 WeakPolarHBondContact O-CD2 3.33Å; L408-F412 PolarHBondContact O-N 3.37Å |
| 409 | I | 95.7 | Very high | 95.3 | Very high | 94 Ų | 94 | 104.1 Ų | 104.1 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 174.2 | -71.4 | 164.9 | 0 | 0 | 0 | 110.4 | Y405 S411 F412 Q413 | Y405-I409 WeakPolarHBondContact O-CB 3.44Å; Y405-I409 WeakPolarHBondContact O-CG1 3.36Å; Y405-I409 PolarHBondContact O-N 3.22Å; I409-S411 PolarHBondContact O-N 2.93Å; I409-F412 PolarHBondContact O-N 3.44Å; I409-Q413 HydrophobicContact CG2-CG 4.33Å; I409-Q413 WeakPolarHBondContact O-CB 3.48Å; I409-Q413 VanDerWaalsContact O-CG 3.25Å; I409-Q413 WeakPolarHBondContact O-CG 3.42Å; I409-Q413 PolarHBondContact O-N 3.35Å |
| 410 | K | 95.4 | Very high | 95 | Very high | 113 Ų | 113 | 100.7 Ų | 100.7 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 175.9 | -76.4 | -177.1 | 174.2 | -164.3 | 0 | 112.1 | K406 V407 L408 F412 Q413 E414 | K406-K410 WeakPolarHBondContact O-CG 3.29Å; K406-K410 PolarHBondContact O-N 2.84Å; K406-K410 VanDerWaalsContact O-N 3.12Å; V407-K410 PolarHBondContact O-N 2.95Å; L408-K410 VanDerWaalsContact C-N 3.35Å; L408-K410 PolarHBondContact O-N 3.35Å; K410-F412 PolarHBondContact O-N 3.1Å; K410-Q413 WeakPolarHBondContact O-CB 3.25Å; K410-Q413 PolarHBondContact O-N 2.9Å; K410-E414 WeakPolarHBondContact O-CG 3.34Å; K410-E414 PolarHBondContact O-N 3.09Å |
| 411 | S | 94.6 | Very high | 94.8 | Very high | 59 Ų | 59 | 103 Ų | 103 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | V407 L408 I409 E414 E415 | V407-S411 PolarHBondContact O-N 3.44Å; L408-S411 PolarHBondContact O-N 3.15Å; I409-S411 PolarHBondContact O-N 2.93Å; S411-E414 PolarHBondContact O-N 2.89Å; S411-E415 WeakPolarHBondContact O-CB 3.49Å; S411-E415 PolarHBondContact O-N 3.14Å |
| 412 | F | 95.2 | Very high | 94.5 | Very high | 118 Ų | 118 | 103.6 Ų | 103.6 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70 | -34 | 175.6 | -71.8 | -40.8 | 0 | 0 | 0 | 112.9 | L408 I409 K410 S416 | L408-F412 HydrophobicContact CD1-CD2 4.34Å; L408-F412 HydrophobicContact CD1-CE2 3.77Å; L408-F412 HydrophobicContact CD1-CZ 3.87Å; L408-F412 HydrophobicContact CD2-CE2 3.89Å; L408-F412 HydrophobicContact CD2-CZ 4.49Å; L408-F412 HydrophobicContact CG-CD2 3.94Å; L408-F412 HydrophobicContact CG-CE2 3.51Å; L408-F412 HydrophobicContact CG-CZ 4.13Å; L408-F412 WeakPolarHBondContact O-CD2 3.33Å; L408-F412 PolarHBondContact O-N 3.37Å; I409-F412 PolarHBondContact O-N 3.44Å; K410-F412 PolarHBondContact O-N 3.1Å; F412-S416 WeakPolarHBondContact O-CB 3.34Å; F412-S416 PolarHBondContact O-N 3.11Å |
| 413 | Q | 94.9 | Very high | 94.2 | Very high | 116 Ų | 116 | 104 Ų | 104 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 172.1 | -76.2 | 173.8 | -26.2 | 0 | 0 | 110.6 | I409 K410 S416 T417 | I409-Q413 HydrophobicContact CG2-CG 4.33Å; I409-Q413 WeakPolarHBondContact O-CB 3.48Å; I409-Q413 VanDerWaalsContact O-CG 3.25Å; I409-Q413 WeakPolarHBondContact O-CG 3.42Å; I409-Q413 PolarHBondContact O-N 3.35Å; K410-Q413 WeakPolarHBondContact O-CB 3.25Å; K410-Q413 PolarHBondContact O-N 2.9Å; Q413-S416 PolarHBondContact O-N 2.83Å; Q413-T417 VanDerWaalsContact O-CG2 3.3Å; Q413-T417 WeakPolarHBondContact O-CG2 3.42Å; Q413-T417 PolarHBondContact O-N 2.99Å; Q413-T417 PolarHBondContact O-OG1 2.93Å |
| 414 | E | 94.4 | Very high | 93.8 | Very high | 126 Ų | 126 | 100.8 Ų | 100.8 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61 | -49 | 175.6 | -72.9 | 167.4 | -166 | 0 | 0 | 111.6 | K410 S411 S416 T417 Q418 | K410-E414 WeakPolarHBondContact O-CG 3.34Å; K410-E414 PolarHBondContact O-N 3.09Å; S411-E414 PolarHBondContact O-N 2.89Å; E414-S416 VanDerWaalsContact C-N 3.32Å; E414-S416 PolarHBondContact O-N 2.91Å; E414-T417 WeakPolarHBondContact CA-OG1 3.36Å; E414-T417 PolarHBondContact O-N 3.28Å; E414-T417 PolarHBondContact O-OG1 2.92Å; E414-Q418 PolarHBondContact O-N 3.24Å |
| 415 | E | 93.6 | Very high | 93.3 | Very high | 78 Ų | 78 | 97.2 Ų | 97.2 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 176.3 | -168 | -167.8 | 155.9 | 0 | 0 | 111.9 | S411 Q418 K419 | S411-E415 WeakPolarHBondContact O-CB 3.49Å; S411-E415 PolarHBondContact O-N 3.14Å; E415-Q418 PolarHBondContact O-N 2.89Å; E415-K419 WeakPolarHBondContact O-CB 3.49Å; E415-K419 PolarHBondContact O-N 2.84Å; E415-K419 WeakPolarHBondContact OE1-CE 3.44Å; E415-K419 IonicContact OE1-NZ 3.53Å; E415-K419 PolarHBondContact OE1-NZ 3.35Å |
| 416 | S | 92.4 | Very high | 92.9 | Very high | 76 Ų | 76 | 96.7 Ų | 96.7 | 53% | 0.531 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | F412 Q413 E414 K419 S420 | F412-S416 WeakPolarHBondContact O-CB 3.34Å; F412-S416 PolarHBondContact O-N 3.11Å; Q413-S416 PolarHBondContact O-N 2.83Å; E414-S416 VanDerWaalsContact C-N 3.32Å; E414-S416 PolarHBondContact O-N 2.91Å; S416-K419 PolarHBondContact O-N 3.43Å; S416-S420 WeakPolarHBondContact O-CB 3.29Å; S416-S420 PolarHBondContact O-N 3.3Å |
| 417 | T | 93.1 | Very high | 92.4 | Very high | 81 Ų | 81 | 94.3 Ų | 94.3 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 175.1 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | Q413 E414 S420 N421 | Q413-T417 VanDerWaalsContact O-CG2 3.3Å; Q413-T417 WeakPolarHBondContact O-CG2 3.42Å; Q413-T417 PolarHBondContact O-N 2.99Å; Q413-T417 PolarHBondContact O-OG1 2.93Å; E414-T417 WeakPolarHBondContact CA-OG1 3.36Å; E414-T417 PolarHBondContact O-N 3.28Å; E414-T417 PolarHBondContact O-OG1 2.92Å; T417-S420 PolarHBondContact O-N 3.48Å; T417-N421 WeakPolarHBondContact O-CB 3.19Å; T417-N421 PolarHBondContact O-N 3.41Å; T417-N421 PolarHBondContact O-ND2 3.32Å |
| 418 | Q | 92.4 | Very high | 91.7 | Very high | 114 Ų | 114 | 92.4 Ų | 92.4 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.5 | -177.1 | -176.9 | 1.8 | 0 | 0 | 111.2 | E414 E415 S420 N421 Q422 | E414-Q418 PolarHBondContact O-N 3.24Å; E415-Q418 PolarHBondContact O-N 2.89Å; Q418-S420 VanDerWaalsContact C-N 3.34Å; Q418-N421 PolarHBondContact O-N 3.29Å; Q418-Q422 WeakPolarHBondContact O-CG 3.33Å; Q418-Q422 PolarHBondContact O-N 2.91Å |
| 419 | K | 92.8 | Very high | 91 | Very high | 111 Ų | 111 | 93.2 Ų | 93.2 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.3 | -80.9 | 176.7 | 171 | 161.3 | 0 | 111.7 | E415 S416 N421 Q422 V423 | E415-K419 WeakPolarHBondContact O-CB 3.49Å; E415-K419 PolarHBondContact O-N 2.84Å; E415-K419 WeakPolarHBondContact OE1-CE 3.44Å; E415-K419 IonicContact OE1-NZ 3.53Å; E415-K419 PolarHBondContact OE1-NZ 3.35Å; S416-K419 PolarHBondContact O-N 3.43Å; K419-N421 PolarHBondContact O-N 2.87Å; K419-Q422 PolarHBondContact O-N 2.82Å; K419-V423 WeakPolarHBondContact O-CB 3.45Å; K419-V423 VanDerWaalsContact O-CG2 3.31Å; K419-V423 WeakPolarHBondContact O-CG2 3.49Å; K419-V423 PolarHBondContact O-N 3.28Å |
| 420 | S | 92.3 | Very high | 90.3 | Very high | 59 Ų | 59 | 92.1 Ų | 92.1 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | S416 T417 Q418 V423 N424 | S416-S420 WeakPolarHBondContact O-CB 3.29Å; S416-S420 PolarHBondContact O-N 3.3Å; T417-S420 PolarHBondContact O-N 3.48Å; Q418-S420 VanDerWaalsContact C-N 3.34Å; S420-V423 PolarHBondContact O-N 2.93Å; S420-N424 WeakPolarHBondContact O-CB 3.48Å; S420-N424 PolarHBondContact O-N 2.88Å; S420-N424 PolarHBondContact O-ND2 3.27Å |
| 421 | N | 91.9 | Very high | 89.6 | Confident | 105 Ų | 105 | 90.9 Ų | 90.9 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -39.1 | 175 | -70.2 | -20 | 0 | 0 | 0 | 112.6 | T417 Q418 K419 N424 S425 | T417-N421 WeakPolarHBondContact O-CB 3.19Å; T417-N421 PolarHBondContact O-N 3.41Å; T417-N421 PolarHBondContact O-ND2 3.32Å; Q418-N421 PolarHBondContact O-N 3.29Å; K419-N421 PolarHBondContact O-N 2.87Å; N421-N424 PolarHBondContact O-N 3.47Å; N421-S425 VanDerWaalsContact O-CB 3.3Å; N421-S425 WeakPolarHBondContact O-CB 3.45Å; N421-S425 PolarHBondContact O-N 2.91Å |
| 422 | Q | 90.7 | Very high | 88.8 | Confident | 99 Ų | 99 | 94.1 Ų | 94.1 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174 | -74.7 | 174.7 | -11.7 | 0 | 0 | 111.7 | Q418 K419 S425 L426 | Q418-Q422 WeakPolarHBondContact O-CG 3.33Å; Q418-Q422 PolarHBondContact O-N 2.91Å; K419-Q422 PolarHBondContact O-N 2.82Å; Q422-S425 PolarHBondContact O-N 3.34Å; Q422-L426 WeakPolarHBondContact O-CB 3.15Å; Q422-L426 VanDerWaalsContact O-CG 3.32Å; Q422-L426 WeakPolarHBondContact O-CG 3.23Å; Q422-L426 PolarHBondContact O-N 2.89Å |
| 423 | V | 89.1 | Confident | 87.8 | Confident | 91 Ų | 91 | 94.3 Ų | 94.3 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.2 | -43.9 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | K419 S420 S425 L426 L427 | K419-V423 WeakPolarHBondContact O-CB 3.45Å; K419-V423 VanDerWaalsContact O-CG2 3.31Å; K419-V423 WeakPolarHBondContact O-CG2 3.49Å; K419-V423 PolarHBondContact O-N 3.28Å; S420-V423 PolarHBondContact O-N 2.93Å; V423-S425 VanDerWaalsContact C-N 3.34Å; V423-S425 PolarHBondContact O-N 3.02Å; V423-L426 PolarHBondContact O-N 3.25Å; V423-L427 WeakPolarHBondContact O-CB 3.14Å; V423-L427 PolarHBondContact O-N 3.13Å |
| 424 | N | 89.3 | Confident | 86.5 | Confident | 86 Ų | 86 | 93 Ų | 93 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 176.3 | -70.3 | -24.1 | 0 | 0 | 0 | 112.1 | S420 N421 L427 S428 | S420-N424 WeakPolarHBondContact O-CB 3.48Å; S420-N424 PolarHBondContact O-N 2.88Å; S420-N424 PolarHBondContact O-ND2 3.27Å; N421-N424 PolarHBondContact O-N 3.47Å; N424-L427 PolarHBondContact O-N 2.85Å; N424-S428 WeakPolarHBondContact O-CB 3.3Å; N424-S428 PolarHBondContact O-N 2.9Å |
| 425 | S | 86 | Confident | 85 | Confident | 79 Ų | 79 | 90.7 Ų | 90.7 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.6 | -45.2 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | N421 Q422 V423 L427 S428 L429 | N421-S425 VanDerWaalsContact O-CB 3.3Å; N421-S425 WeakPolarHBondContact O-CB 3.45Å; N421-S425 PolarHBondContact O-N 2.91Å; Q422-S425 PolarHBondContact O-N 3.34Å; V423-S425 VanDerWaalsContact C-N 3.34Å; V423-S425 PolarHBondContact O-N 3.02Å; S425-L427 VanDerWaalsContact C-N 3.31Å; S425-L427 PolarHBondContact O-N 3.41Å; S425-S428 WeakPolarHBondContact O-CB 3.49Å; S425-S428 PolarHBondContact O-N 2.97Å; S425-L429 PolarHBondContact O-N 2.92Å |
| 426 | L | 88.2 | Confident | 83 | Confident | 110 Ų | 110 | 97.1 Ų | 97.1 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 172.8 | -72.8 | 171.8 | 0 | 0 | 0 | 111.5 | Q422 V423 L429 C430 | Q422-L426 WeakPolarHBondContact O-CB 3.15Å; Q422-L426 VanDerWaalsContact O-CG 3.32Å; Q422-L426 WeakPolarHBondContact O-CG 3.23Å; Q422-L426 PolarHBondContact O-N 2.89Å; V423-L426 PolarHBondContact O-N 3.25Å; L426-L429 PolarHBondContact O-N 3.47Å; L426-C430 WeakPolarHBondContact O-CB 3.22Å; L426-C430 PolarHBondContact O-N 3.36Å; L426-C430 PolarHBondContact O-SG 2.89Å |
| 427 | L | 85.9 | Confident | 80.8 | Confident | 91 Ų | 91 | 98.3 Ų | 98.3 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 175.2 | -172.1 | 67.8 | 0 | 0 | 0 | 111.1 | V423 N424 S425 C430 N431 | V423-L427 WeakPolarHBondContact O-CB 3.14Å; V423-L427 PolarHBondContact O-N 3.13Å; N424-L427 PolarHBondContact O-N 2.85Å; S425-L427 VanDerWaalsContact C-N 3.31Å; S425-L427 PolarHBondContact O-N 3.41Å; L427-C430 PolarHBondContact O-N 2.76Å; L427-N431 VanDerWaalsContact O-CB 3.25Å; L427-N431 WeakPolarHBondContact O-CB 3.25Å; L427-N431 PolarHBondContact O-N 3.41Å; L427-N431 PolarHBondContact O-ND2 2.82Å |
| 428 | S | 81.6 | Confident | 78.5 | Confident | 60 Ų | 60 | 99.9 Ų | 99.9 | 42% | 0.42 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.4 | -44.9 | 173.1 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | N424 S425 N431 E432 | N424-S428 WeakPolarHBondContact O-CB 3.3Å; N424-S428 PolarHBondContact O-N 2.9Å; S425-S428 WeakPolarHBondContact O-CB 3.49Å; S425-S428 PolarHBondContact O-N 2.97Å; S428-N431 CarbonylContact O-C 3.57Å; S428-N431 PolarHBondContact O-N 3.13Å; S428-E432 WeakPolarHBondContact O-CB 3.22Å; S428-E432 WeakPolarHBondContact O-CG 3.37Å; S428-E432 PolarHBondContact O-N 3.47Å |
| 429 | L | 81.3 | Confident | 76.1 | Confident | 92 Ų | 92 | 98.9 Ų | 98.9 | 48% | 0.482 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.5 | -42.1 | 176.7 | -167.4 | 79.4 | 0 | 0 | 0 | 111.9 | S425 L426 N431 E432 L433 | S425-L429 PolarHBondContact O-N 2.92Å; L426-L429 PolarHBondContact O-N 3.47Å; L429-N431 VanDerWaalsContact C-N 3.32Å; L429-E432 PolarHBondContact O-N 2.96Å; L429-L433 HydrophobicContact CG-CD1 4.39Å; L429-L433 WeakPolarHBondContact O-CB 3.35Å; L429-L433 VanDerWaalsContact O-CG 3.3Å; L429-L433 WeakPolarHBondContact O-CG 3.22Å; L429-L433 PolarHBondContact O-N 3.1Å |
| 430 | C | 81.1 | Confident | 73.5 | Confident | 71 Ų | 71 | 101.7 Ų | 101.7 | 48% | 0.48 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.8 | -39.5 | 173.4 | -75.8 | 0 | 0 | 0 | 0 | 111.6 | L426 L427 L433 S434 | L426-C430 WeakPolarHBondContact O-CB 3.22Å; L426-C430 PolarHBondContact O-N 3.36Å; L426-C430 PolarHBondContact O-SG 2.89Å; L427-C430 PolarHBondContact O-N 2.76Å; C430-L433 PolarHBondContact O-N 3.47Å; C430-S434 WeakPolarHBondContact O-CB 3.44Å; C430-S434 PolarHBondContact O-N 3.49Å; C430-S434 PolarHBondContact O-OG 3.2Å |
| 431 | N | 81.2 | Confident | 70.5 | Confident | 87 Ų | 87 | 112.5 Ų | 112.5 | 47% | 0.465 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.7 | -38.1 | 174.7 | -73.4 | -16.7 | 0 | 0 | 0 | 111.6 | L427 S428 L429 S434 A435 | L427-N431 VanDerWaalsContact O-CB 3.25Å; L427-N431 WeakPolarHBondContact O-CB 3.25Å; L427-N431 PolarHBondContact O-N 3.41Å; L427-N431 PolarHBondContact O-ND2 2.82Å; S428-N431 CarbonylContact O-C 3.57Å; S428-N431 PolarHBondContact O-N 3.13Å; L429-N431 VanDerWaalsContact C-N 3.32Å; N431-S434 VanDerWaalsContact CA-OG 3.29Å; N431-S434 WeakPolarHBondContact CA-OG 3.12Å; N431-S434 PolarHBondContact O-N 3.17Å; N431-S434 PolarHBondContact O-OG 2.84Å; N431-A435 WeakPolarHBondContact O-CA 3.47Å; N431-A435 WeakPolarHBondContact O-CB 3.22Å; N431-A435 PolarHBondContact O-N 3.37Å |
| 432 | E | 76.5 | Confident | 69.5 | Low | 127 Ų | 127 | 112.9 Ų | 112.9 | 59% | 0.593 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.2 | -39.6 | 172.7 | -78.5 | 173.9 | -164.5 | 0 | 0 | 112.1 | S428 L429 R436 | S428-E432 WeakPolarHBondContact O-CB 3.22Å; S428-E432 WeakPolarHBondContact O-CG 3.37Å; S428-E432 PolarHBondContact O-N 3.47Å; L429-E432 PolarHBondContact O-N 2.96Å; E432-R436 PolarHBondContact O-N 3.31Å |
| 433 | L | 74.8 | Confident | 68.4 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 64% | 0.639 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.7 | -36.7 | 175.7 | -76.8 | 166.9 | 0 | 0 | 0 | 112.2 | L429 C430 | L429-L433 HydrophobicContact CG-CD1 4.39Å; L429-L433 WeakPolarHBondContact O-CB 3.35Å; L429-L433 VanDerWaalsContact O-CG 3.3Å; L429-L433 WeakPolarHBondContact O-CG 3.22Å; L429-L433 PolarHBondContact O-N 3.1Å; C430-L433 PolarHBondContact O-N 3.47Å |
| 434 | S | 67.3 | Low | 67.2 | Low | 89 Ų | 89 | 114.8 Ų | 114.8 | 62% | 0.622 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -83.9 | -27.1 | 178 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | C430 N431 R436 | C430-S434 WeakPolarHBondContact O-CB 3.44Å; C430-S434 PolarHBondContact O-N 3.49Å; C430-S434 PolarHBondContact O-OG 3.2Å; N431-S434 VanDerWaalsContact CA-OG 3.29Å; N431-S434 WeakPolarHBondContact CA-OG 3.12Å; N431-S434 PolarHBondContact O-N 3.17Å; N431-S434 PolarHBondContact O-OG 2.84Å; S434-R436 PolarHBondContact O-N 3.27Å |
| 435 | A | 63.8 | Low | 65.9 | Low | 77 Ų | 77 | 116.5 Ų | 116.5 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 13.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | N431 P437 | N431-A435 WeakPolarHBondContact O-CA 3.47Å; N431-A435 WeakPolarHBondContact O-CB 3.22Å; N431-A435 PolarHBondContact O-N 3.37Å; A435-P437 WeakPolarHBondContact O-CD 3.1Å |
| 436 | R | 50.9 | Low | 64.6 | Low | 212 Ų | 212 | 118.9 Ų | 118.9 | 80% | 0.8 | 66% | 0.659 | S | S | * | * | trans | -94.7 | 83.7 | 166.5 | -151 | 179.4 | -158.1 | -153.9 | 5.7 | 109.4 | E432 S434 | E432-R436 PolarHBondContact O-N 3.31Å; S434-R436 PolarHBondContact O-N 3.27Å | ||
| 437 | P | 47 | Very low | 63.1 | Low | 101 Ų | 101 | 119.5 Ų | 119.5 | 66% | 0.656 | 67% | 0.665 | S | S | * | * | trans | -72 | 140.6 | 172.7 | 31.4 | -34.8 | 0 | 0 | 0 | 109.8 | A435 | A435-P437 WeakPolarHBondContact O-CD 3.1Š| ||
| 438 | S | 45.2 | Very low | 61.4 | Low | 115 Ų | 115 | 121.5 Ų | 121.5 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | trans | 55.1 | 84.8 | 149.4 | 58.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 439 | A | 41.1 | Very low | 59.9 | Low | 92 Ų | 92 | 126.2 Ų | 126.2 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -153.7 | 109.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 440 | L | 38.5 | Very low | 58.1 | Low | 170 Ų | 170 | 129.1 Ų | 129.1 | 89% | 0.89 | 72% | 0.716 | S | S | * | * | trans | 91.5 | 91.9 | 169.2 | -58.4 | 149.4 | 0 | 0 | 0 | 117 | ||||
| 441 | K | 30.1 | Very low | 56 | Low | 286 Ų | 286 | 134.4 Ų | 134.4 | 100% | 1.243 | 74% | 0.737 | S | S | * | * | trans | 71.5 | 0 | 153.4 | -73.7 | -177.9 | 177.1 | 178 | 0 | 119.5 |
Retrieved 441 of 441 residues in 529.7 ms
(Link to these results)