| 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 | 36.2 | Very low | 37.5 | Very low | 251 Ų | 251 | 172.6 Ų | 172.6 | 100% | 1.236 | 85% | 0.846 | S | S | * | * | 0 | -177.2 | 0 | -77.4 | 170.8 | 71.4 | 0 | 0 | 108.8 | |||||
| 2 | M | 35.3 | Very low | 37.4 | Very low | 172 Ų | 172 | 168 Ų | 168 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | trans | -69.8 | 157.7 | -162.9 | -90.4 | 164.6 | 158.9 | 0 | 0 | 117 | ||||
| 3 | E | 37.2 | Very low | 37.4 | Very low | 131 Ų | 131 | 165 Ų | 165 | 61% | 0.612 | 83% | 0.831 | S | S | * | * | trans | 64.1 | 101 | 143.5 | -70 | -179.1 | 141.6 | 0 | 0 | 121.5 | K5 | E3-K5 HydrophobicContact CG-CD 4.48Å; E3-K5 WeakPolarHBondContact OE1-CE 3.18Å; E3-K5 IonicContact OE1-NZ 2.63Å; E3-K5 PolarHBondContact OE1-NZ 3.19Å | ||
| 4 | S | 40.2 | Very low | 37.4 | Very low | 127 Ų | 127 | 160.6 Ų | 160.6 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -113.5 | 53.2 | 148.9 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | K6 | S4-K6 PolarHBondContact O-N 3.16Š| ||
| 5 | K | 38.2 | Very low | 37.2 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | trans | -72.3 | 113.5 | 167.1 | -73.6 | 172.8 | -178.3 | 157.1 | 0 | 109.3 | E3 | E3-K5 HydrophobicContact CG-CD 4.48Å; E3-K5 WeakPolarHBondContact OE1-CE 3.18Å; E3-K5 IonicContact OE1-NZ 2.63Å; E3-K5 PolarHBondContact OE1-NZ 3.19Å | ||
| 6 | K | 41.4 | Very low | 37 | Very low | 208 Ų | 208 | 160 Ų | 160 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -124.7 | 154.3 | 157.7 | -85 | -168.4 | 172.5 | -176.1 | 0 | 110.6 | S4 | S4-K6 PolarHBondContact O-N 3.16Š| ||
| 7 | F | 34.3 | Very low | 36.9 | Very low | 205 Ų | 205 | 158.4 Ų | 158.4 | 90% | 0.899 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76 | 163.9 | -155.5 | -98.9 | -117 | 0 | 0 | 0 | 114.9 | ||
| 8 | K | 36 | Very low | 37 | Very low | 180 Ų | 180 | 160.1 Ų | 160.1 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 151 | 172.8 | -60 | 179.6 | 177.7 | -176.1 | 0 | 111.3 | ||
| 9 | P | 40.7 | Very low | 37 | Very low | 120 Ų | 120 | 159.9 Ų | 159.9 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64 | 155.7 | 159.3 | 31.5 | -35 | 0 | 0 | 0 | 110.3 | ||
| 10 | F | 36.4 | Very low | 37 | Very low | 195 Ų | 195 | 162.5 Ų | 162.5 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 134 | 175.1 | -90.7 | -103.4 | 0 | 0 | 0 | 111.1 | ||
| 11 | D | 36.2 | Very low | 37 | Very low | 150 Ų | 150 | 162.2 Ų | 162.2 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 132.4 | 162.2 | -61.8 | -69.2 | 0 | 0 | 0 | 109.6 | ||
| 12 | T | 37.1 | Very low | 36.7 | Very low | 117 Ų | 117 | 154.3 Ų | 154.3 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | -145.9 | 69.6 | 168.6 | -54.8 | 0 | 0 | 0 | 0 | 108.6 | V14 | T12-V14 HydrophobicContact CG2-CG2 4.22Å; T12-V14 PolarHBondContact O-N 2.8Å | ||
| 13 | V | 37.3 | Very low | 36.7 | Very low | 129 Ų | 129 | 153 Ų | 153 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -79.8 | 96.3 | 172.9 | -179.5 | 0 | 0 | 0 | 0 | 108 | N15 | V13-N15 PolarHBondContact O-N 2.84Š| ||
| 14 | V | 37.3 | Very low | 36.6 | Very low | 104 Ų | 104 | 152.4 Ų | 152.4 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | trans | -76.4 | 111 | 171.4 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | T12 F16 | T12-V14 HydrophobicContact CG2-CG2 4.22Å; T12-V14 PolarHBondContact O-N 2.8Å; V14-F16 HydrophobicContact CG1-CD2 4Å; V14-F16 HydrophobicContact CG1-CE2 3.68Å; V14-F16 HydrophobicContact CG1-CZ 4.43Å; V14-F16 PolarHBondContact O-N 2.93Å | ||
| 15 | N | 34.2 | Very low | 36.2 | Very low | 120 Ų | 120 | 156 Ų | 156 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | trans | -86.1 | 90.8 | -169.8 | -172.3 | 39.5 | 0 | 0 | 0 | 111.7 | V13 N17 | V13-N15 PolarHBondContact O-N 2.84Å; N15-N17 VanDerWaalsContact C-N 3.34Å; N15-N17 PolarHBondContact O-N 3.41Å; N15-N17 VanDerWaalsContact O-N 3.13Å | ||
| 16 | F | 34.6 | Very low | 36.1 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -83 | 76.9 | 171.6 | -81.1 | -78.9 | 0 | 0 | 0 | 111.4 | V14 | V14-F16 HydrophobicContact CG1-CD2 4Å; V14-F16 HydrophobicContact CG1-CE2 3.68Å; V14-F16 HydrophobicContact CG1-CZ 4.43Å; V14-F16 PolarHBondContact O-N 2.93Å | ||
| 17 | N | 34.4 | Very low | 35.8 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -115.5 | 93.4 | 165.2 | -84 | 7.3 | 0 | 0 | 0 | 109.2 | N15 | N15-N17 VanDerWaalsContact C-N 3.34Å; N15-N17 PolarHBondContact O-N 3.41Å; N15-N17 VanDerWaalsContact O-N 3.13Å | ||
| 18 | E | 38.7 | Very low | 35.9 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -134.2 | 129.6 | 151.2 | -77.2 | -160.3 | 147.3 | 0 | 0 | 108.5 | ||||
| 19 | D | 38.2 | Very low | 35.8 | Very low | 157 Ų | 157 | 149.1 Ų | 149.1 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 124.2 | -173.1 | -55.4 | -85.8 | 0 | 0 | 0 | 111.4 | ||
| 20 | F | 35.8 | Very low | 35.3 | Very low | 212 Ų | 212 | 149.6 Ų | 149.6 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 128 | 160 | -107.1 | -88 | 0 | 0 | 0 | 110.7 | ||
| 21 | I | 36.6 | Very low | 35.2 | Very low | 156 Ų | 156 | 146 Ų | 146 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 148.1 | -160.5 | -67.3 | 166.8 | 0 | 0 | 0 | 112 | ||
| 22 | S | 31.7 | Very low | 35 | Very low | 86 Ų | 86 | 144.8 Ų | 144.8 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | trans | -71.7 | 176.6 | 176.7 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 23 | D | 34 | Very low | 34.7 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | 77.8 | 93.7 | 159.5 | -47.3 | -41.9 | 0 | 0 | 0 | 118.2 | ||||
| 24 | S | 34.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -155.2 | 105 | 131.8 | 36.8 | 0 | 0 | 0 | 0 | 111.8 | A26 | S24-A26 PolarHBondContact O-N 3.02Š| ||
| 25 | E | 32.5 | Very low | 34.7 | Very low | 203 Ų | 203 | 154.4 Ų | 154.4 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | trans | -69.5 | 106.3 | 167.5 | -72.6 | -174.2 | 99.1 | 0 | 0 | 110.3 | ||||
| 26 | A | 36.9 | Very low | 34.6 | Very low | 88 Ų | 88 | 152.2 Ų | 152.2 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -99.4 | 101.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S24 I28 | S24-A26 PolarHBondContact O-N 3.02Å; A26-I28 PolarHBondContact O-N 2.87Å | ||
| 27 | H | 34.6 | Very low | 34.4 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 79% | 0.787 | 82% | 0.817 | S | S | * | * | trans | -34.6 | 103.3 | -178.9 | -67 | -65.2 | 0 | 0 | 0 | 116.8 | K29 | H27-K29 PolarHBondContact O-N 2.89Å; H27-K29 VanDerWaalsContact O-N 3.09Å | ||
| 28 | I | 36.9 | Very low | 34.3 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -78.1 | 90.2 | 155.7 | -59.6 | -178.6 | 0 | 0 | 0 | 107.8 | A26 | A26-I28 PolarHBondContact O-N 2.87Š| ||
| 29 | K | 32.9 | Very low | 34.2 | Very low | 176 Ų | 176 | 147.5 Ų | 147.5 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -70.3 | 145.8 | 174.9 | -93.4 | 178.6 | 177 | 173.4 | 0 | 111.5 | H27 | H27-K29 PolarHBondContact O-N 2.89Å; H27-K29 VanDerWaalsContact O-N 3.09Å | ||
| 30 | T | 30.6 | Very low | 34 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -74.5 | 169.4 | 179.6 | 45.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 31 | S | 33.1 | Very low | 33.9 | Very low | 121 Ų | 121 | 146 Ų | 146 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 106.8 | 96.7 | 160 | 75.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 32 | S | 33.4 | Very low | 33.9 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -158.4 | 98.8 | 139.7 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 33 | S | 30.3 | Very low | 34 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -100.6 | 109.7 | -179.3 | 41.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 34 | K | 37 | Very low | 33.9 | Very low | 190 Ų | 190 | 153.3 Ų | 153.3 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -152.7 | 44 | 178.9 | -139.6 | 179 | -174 | -179.3 | 0 | 117.9 | ||||
| 35 | Y | 37.6 | Very low | 33.9 | Very low | 242 Ų | 242 | 152.9 Ų | 152.9 | 95% | 0.949 | 82% | 0.817 | S | S | * | * | trans | -125.5 | 127.1 | 154 | -88.7 | -78.8 | 0 | 0 | 0 | 110.5 | ||||
| 36 | G | 32.1 | Very low | 34.1 | Very low | 74 Ų | 74 | 151.8 Ų | 151.8 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -93.4 | 160.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 37 | F | 29.5 | Very low | 33.8 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 80% | 0.803 | 81% | 0.812 | S | S | * | * | trans | -59.4 | 141.1 | 175.2 | -86.2 | -117.3 | 0 | 0 | 0 | 112.9 | T39 | F37-T39 HydrophobicContact CD1-CG2 4.13Å; F37-T39 HydrophobicContact CE1-CG2 4.45Å | ||
| 38 | C | 33.8 | Very low | 34 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -146.6 | 76.2 | 145.6 | -98.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 39 | T | 34.9 | Very low | 33.7 | Very low | 99 Ų | 99 | 150.6 Ų | 150.6 | 61% | 0.607 | 81% | 0.808 | S | S | * | * | trans | -67.5 | 132.4 | 168.3 | 38.1 | 0 | 0 | 0 | 0 | 110 | F37 | F37-T39 HydrophobicContact CD1-CG2 4.13Å; F37-T39 HydrophobicContact CE1-CG2 4.45Å | ||
| 40 | K | 35.6 | Very low | 33.7 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -125.9 | 68.3 | 167.9 | -81.8 | -167.1 | 174.3 | -178.8 | 0 | 110.2 | V42 | K40-V42 PolarHBondContact O-N 3.26Š| ||
| 41 | D | 32.9 | Very low | 33.8 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | trans | -65.4 | 110.2 | 163.3 | -69.2 | -72.8 | 0 | 0 | 0 | 109.5 | ||||
| 42 | V | 37.3 | Very low | 33.8 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -120.3 | 92.1 | 164.8 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | K40 R44 | K40-V42 PolarHBondContact O-N 3.26Å; V42-R44 PolarHBondContact O-N 3.27Å | ||
| 43 | Q | 33.3 | Very low | 33.8 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -61.2 | 126.9 | 174.5 | -65.4 | 172 | -22 | 0 | 0 | 109.8 | ||||
| 44 | R | 32.9 | Very low | 33.8 | Very low | 230 Ų | 230 | 148.5 Ų | 148.5 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -120.3 | 81.3 | 159.7 | -159.4 | 174.2 | -158.1 | 169.7 | 7.9 | 110.3 | V42 Q46 | V42-R44 PolarHBondContact O-N 3.27Å; R44-Q46 PolarHBondContact O-N 2.64Å | ||
| 45 | S | 33.4 | Very low | 33.6 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -64.7 | 126 | 171.3 | 35.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 46 | Q | 37.2 | Very low | 33.3 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -132.6 | 140.7 | 157.8 | -78 | -165.9 | -25.5 | 0 | 0 | 109.1 | R44 | R44-Q46 PolarHBondContact O-N 2.64Š| ||
| 47 | S | 31 | Very low | 33.2 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -117.7 | 121.2 | -163.3 | 45 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 48 | L | 37.7 | Very low | 33.4 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -147.2 | 97.7 | 153.1 | -76.3 | 179.8 | 0 | 0 | 0 | 106.5 | ||||
| 49 | N | 32.4 | Very low | 33.3 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | 71.9 | 126.5 | 75.6 | -79.6 | -17.7 | 0 | 0 | 0 | 115.4 | |||||
| 50 | S | 32.7 | Very low | 33 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | 71.7 | 154 | 163.7 | 76.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 51 | T | 30.9 | Very low | 32.9 | Very low | 136 Ų | 136 | 143 Ų | 143 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | cis | -165.7 | 120.2 | -32.5 | -83.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 52 | A | 35 | Very low | 32.9 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -161.7 | 124.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 53 | A | 31.8 | Very low | 33.1 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -149.6 | 171.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 54 | L | 31.6 | Very low | 33.1 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | trans | 70.4 | 104.2 | 170 | -67.1 | 155.5 | 0 | 0 | 0 | 117.2 | ||||
| 55 | G | 32.3 | Very low | 33 | Very low | 74 Ų | 74 | 142.2 Ų | 142.2 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -148.2 | 100.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 56 | S | 30.7 | Very low | 33 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -162.9 | 112.5 | -179.5 | -73.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 57 | F | 30.6 | Very low | 32.9 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -168.2 | 108.3 | 162 | -124 | -95.3 | 0 | 0 | 0 | 106.4 | ||||
| 58 | I | 34.1 | Very low | 33.1 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | 80.5 | 94.4 | 76.8 | -66 | 173.5 | 0 | 0 | 0 | 114.3 | |||||
| 59 | Q | 31.2 | Very low | 32.8 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | 69 | 97.2 | 121.6 | -158 | 172.4 | 12.5 | 0 | 0 | 122.7 | |||||
| 60 | G | 28.9 | Very low | 33.4 | Very low | 70 Ų | 70 | 144.1 Ų | 144.1 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | 63.4 | 126.4 | 112.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 61 | R | 34.1 | Very low | 33.5 | Very low | 242 Ų | 242 | 146.6 Ų | 146.6 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | trans | -175.8 | 123.1 | 139.2 | -98.6 | 170.6 | -167.4 | -162.6 | 3.9 | 107.9 | ||||
| 62 | D | 31.9 | Very low | 33.4 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | 78 | 117.8 | 69.1 | -169.6 | 20.9 | 0 | 0 | 0 | 113.9 | |||||
| 63 | K | 41.2 | Very low | 33.4 | Very low | 210 Ų | 210 | 147.7 Ų | 147.7 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | -170.4 | 124.9 | 171.4 | -109.4 | 171.7 | -172.8 | 177.4 | 0 | 109.9 | ||||
| 64 | G | 34.8 | Very low | 33.5 | Very low | 66 Ų | 66 | 147.9 Ų | 147.9 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | -107.4 | 152.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 65 | R | 29 | Very low | 33.4 | Very low | 239 Ų | 239 | 147.2 Ų | 147.2 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | 24.3 | 124.9 | 138.8 | -60.6 | -177.9 | -79.9 | -170.5 | -6.9 | 118.6 | ||||
| 66 | K | 35 | Very low | 33.5 | Very low | 194 Ų | 194 | 152.2 Ų | 152.2 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | 176 | 157.3 | 108.9 | -101.7 | 174.9 | 176.4 | -174.6 | 0 | 116.5 | |||||
| 67 | L | 34.8 | Very low | 33.6 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | 82.5 | 106.4 | 149.4 | -100.2 | 69.3 | 0 | 0 | 0 | 122.4 | ||||
| 68 | L | 35.3 | Very low | 33.4 | Very low | 151 Ų | 151 | 151 Ų | 151 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | 80.7 | 115.1 | 128.5 | -72.6 | 168.3 | 0 | 0 | 0 | 123.8 | |||||
| 69 | D | 30.8 | Very low | 33.7 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -56.7 | -179.2 | 149.4 | -60.7 | -78.5 | 0 | 0 | 0 | 115.4 | ||||
| 70 | P | 44.1 | Very low | 33.8 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | cis | -133.4 | 169 | -36.4 | 31.1 | -14.6 | 0 | 0 | 0 | 113.3 | ||||
| 71 | N | 35 | Very low | 34.1 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -156.9 | 159.4 | 137.2 | -128.2 | -44.7 | 0 | 0 | 0 | 113.5 | ||||
| 72 | V | 29.9 | Very low | 34.1 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | -113.8 | 127.6 | -166.8 | 174.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 73 | T | 34.9 | Very low | 34.3 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -166.7 | 154.9 | 145 | -0.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 74 | A | 33.4 | Very low | 33.9 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | 61 | 107.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 75 | N | 29.5 | Very low | 33.8 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -54.6 | 135.3 | 164.4 | -56.4 | -64.3 | 0 | 0 | 0 | 113 | ||||
| 76 | L | 35.2 | Very low | 33.9 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 94% | 0.942 | 79% | 0.792 | S | S | * | * | trans | -143.7 | 140.4 | 132.1 | -101.9 | 177.5 | 0 | 0 | 0 | 108.6 | ||||
| 77 | Q | 31.7 | Very low | 33.8 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -101.1 | 131.7 | -160.7 | -164.2 | 163.4 | -8.3 | 0 | 0 | 112.2 | ||||
| 78 | S | 27.6 | Very low | 33.8 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | -61.1 | 142.5 | 175.6 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | E80 | S78-E80 PolarHBondContact OG-N 2.74Š| ||
| 79 | P | 38.6 | Very low | 33.8 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | -127.2 | 134 | 113.5 | 35 | -29.4 | 0 | 0 | 0 | 114.1 | N81 | P79-N81 PolarHBondContact O-N 3.29Å; P79-N81 VanDerWaalsContact O-N 3.13Å | |||
| 80 | E | 33.9 | Very low | 33.9 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -45.8 | 100.4 | -178.4 | -58.1 | -179.8 | 174.8 | 0 | 0 | 116.3 | S78 K82 | S78-E80 PolarHBondContact OG-N 2.74Å; E80-K82 PolarHBondContact O-N 3.33Å; E80-K82 WeakPolarHBondContact OE2-CE 3.46Å; E80-K82 IonicContact OE2-NZ 3.17Å; E80-K82 PolarHBondContact OE2-NZ 2.67Å | ||
| 81 | N | 35.4 | Very low | 33.8 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -86.1 | 103.9 | 156.3 | -98.8 | -42.7 | 0 | 0 | 0 | 110 | P79 N83 | P79-N81 PolarHBondContact O-N 3.29Å; P79-N81 VanDerWaalsContact O-N 3.13Å; N81-N83 PolarHBondContact O-N 2.87Å | ||
| 82 | K | 34.8 | Very low | 34 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -73.4 | 92.4 | 177.9 | -72.1 | 174.1 | -178.7 | 164.5 | 0 | 110.3 | E80 L84 | E80-K82 PolarHBondContact O-N 3.33Å; E80-K82 WeakPolarHBondContact OE2-CE 3.46Å; E80-K82 IonicContact OE2-NZ 3.17Å; E80-K82 PolarHBondContact OE2-NZ 2.67Å; K82-L84 PolarHBondContact O-N 3.34Å | ||
| 83 | N | 35.2 | Very low | 34.2 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -62 | 105.7 | 176.7 | -81.9 | -47.5 | 0 | 0 | 0 | 111.8 | N81 F85 | N81-N83 PolarHBondContact O-N 2.87Å; N83-F85 PolarHBondContact O-N 2.93Å | ||
| 84 | L | 32.6 | Very low | 34.6 | Very low | 161 Ų | 161 | 143 Ų | 143 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -70.8 | 79.3 | 164.6 | -93.8 | 70 | 0 | 0 | 0 | 109.9 | K82 | K82-L84 PolarHBondContact O-N 3.34Š| ||
| 85 | F | 32.3 | Very low | 34.6 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -139.7 | 83.9 | 169.7 | -83.6 | -70.8 | 0 | 0 | 0 | 112 | N83 | N83-F85 PolarHBondContact O-N 2.93Š| ||
| 86 | Q | 32.4 | Very low | 34.9 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -125.7 | 115.3 | 148.3 | -85.4 | -164.7 | -18.6 | 0 | 0 | 109.6 | S88 | Q86-S88 PolarHBondContact O-N 2.8Š| ||
| 87 | N | 32.8 | Very low | 34.7 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -78.8 | 113.5 | -179.8 | -63.3 | -42.2 | 0 | 0 | 0 | 109.9 | ||||
| 88 | S | 34.4 | Very low | 35 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -112.8 | 34.3 | 172.1 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | Q86 S90 | Q86-S88 PolarHBondContact O-N 2.8Å; S88-S90 PolarHBondContact O-N 3.22Å; S88-S90 PolarHBondContact O-OG 3.21Å | ||
| 89 | C | 34.4 | Very low | 35.2 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -65.5 | 102.9 | 173.3 | -156.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 90 | S | 34.6 | Very low | 35 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 146.3 | -174.1 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | S88 S92 | S88-S90 PolarHBondContact O-N 3.22Å; S88-S90 PolarHBondContact O-OG 3.21Å; S90-S92 PolarHBondContact O-N 2.81Å |
| 91 | P | 41.8 | Very low | 34.9 | Very low | 129 Ų | 129 | 151.6 Ų | 151.6 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 133.7 | -169.7 | 26.6 | -34.6 | 0 | 0 | 0 | 112.6 | K93 | P91-K93 PolarHBondContact O-N 2.79Š|
| 92 | S | 37.9 | Very low | 35 | Very low | 113 Ų | 113 | 149.6 Ų | 149.6 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 123.8 | 175.2 | 46 | 0 | 0 | 0 | 0 | 111.3 | S90 | S90-S92 PolarHBondContact O-N 2.81Š|
| 93 | K | 34.9 | Very low | 35.2 | Very low | 196 Ų | 196 | 150 Ų | 150 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 127 | 163.5 | -75.7 | -178 | 175.9 | 178.2 | 0 | 108.6 | P91 | P91-K93 PolarHBondContact O-N 2.79Š|
| 94 | P | 42.6 | Very low | 35.1 | Very low | 123 Ų | 123 | 152.6 Ų | 152.6 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 138.6 | 167.7 | 28.1 | -33 | 0 | 0 | 0 | 109.6 | ||
| 95 | L | 34.9 | Very low | 35.1 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 136.7 | -179.6 | -76.8 | 156.9 | 0 | 0 | 0 | 111 | ||
| 96 | T | 35.1 | Very low | 35.3 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 147.7 | 174.7 | 31.2 | 0 | 0 | 0 | 0 | 111.9 | I98 | T96-I98 PolarHBondContact O-N 2.82Å; T96-I98 VanDerWaalsContact O-N 3.16Å |
| 97 | F | 31 | Very low | 35.4 | Very low | 189 Ų | 189 | 144 Ų | 144 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -71.6 | 102.4 | -168.2 | -158.2 | -98 | 0 | 0 | 0 | 112.2 | G99 | F97-G99 PolarHBondContact O-N 2.8Š| ||
| 98 | I | 37.7 | Very low | 35.7 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | trans | -97.1 | 77.7 | 167.9 | -55.3 | -178 | 0 | 0 | 0 | 108.5 | T96 | T96-I98 PolarHBondContact O-N 2.82Å; T96-I98 VanDerWaalsContact O-N 3.16Å | ||
| 99 | G | 32.1 | Very low | 35.5 | Very low | 36 Ų | 36 | 149.1 Ų | 149.1 | 37% | 0.371 | 80% | 0.798 | S | S | . | * | trans | -100.8 | 155 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F97 | F97-G99 PolarHBondContact O-N 2.8Š| ||
| 100 | Y | 33.9 | Very low | 35.6 | Very low | 217 Ų | 217 | 150 Ų | 150 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | 67.3 | 93.7 | 172.3 | -53.6 | -76.1 | 0 | 0 | 0 | 118 | ||||
| 101 | R | 32.3 | Very low | 35.5 | Very low | 241 Ų | 241 | 151.3 Ų | 151.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | -132.1 | 105.7 | 125.9 | -129.9 | -177.6 | -167.3 | -133.4 | 2.1 | 109.1 | I103 | R101-I103 PolarHBondContact O-N 3Š| |||
| 102 | P | 38.1 | Very low | 35.1 | Very low | 110 Ų | 110 | 153.8 Ų | 153.8 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 128.6 | 176.4 | 28.3 | -32.6 | 0 | 0 | 0 | 109.4 | ||
| 103 | I | 38.1 | Very low | 34.9 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81 | 137.8 | 168.1 | -62.8 | 177.5 | 0 | 0 | 0 | 107.4 | R101 | R101-I103 PolarHBondContact O-N 3Š|
| 104 | F | 32.3 | Very low | 34.8 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 139.7 | -171.3 | -82.1 | -97.8 | 0 | 0 | 0 | 112.8 | S106 | F104-S106 PolarHBondContact O-N 3.23Š|
| 105 | S | 32.6 | Very low | 34.3 | Very low | 110 Ų | 110 | 157.1 Ų | 157.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -65.2 | 112.3 | 169.5 | 52.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 106 | S | 37 | Very low | 34.3 | Very low | 105 Ų | 105 | 154.2 Ų | 154.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -99.1 | 114.6 | 156.9 | 44.5 | 0 | 0 | 0 | 0 | 109 | F104 N108 | F104-S106 PolarHBondContact O-N 3.23Å; S106-N108 PolarHBondContact O-N 2.95Å; S106-N108 VanDerWaalsContact O-N 3.17Å | ||
| 107 | T | 35.7 | Very low | 34.4 | Very low | 127 Ų | 127 | 154.9 Ų | 154.9 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -78.1 | 95.9 | -178 | 47.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 108 | N | 39 | Very low | 34.6 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -108.2 | 89.2 | 165.6 | -79.9 | -18.7 | 0 | 0 | 0 | 109.9 | S106 I110 | S106-N108 PolarHBondContact O-N 2.95Å; S106-N108 VanDerWaalsContact O-N 3.17Å; N108-I110 PolarHBondContact O-N 3.44Å | ||
| 109 | Y | 28.9 | Very low | 34.7 | Very low | 225 Ų | 225 | 153.4 Ų | 153.4 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | -61.6 | 123.7 | 152.2 | -100.6 | -109.5 | 0 | 0 | 0 | 107.5 | ||||
| 110 | I | 36.5 | Very low | 34.7 | Very low | 150 Ų | 150 | 162.8 Ų | 162.8 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -133.8 | 131.3 | 166.5 | -61.9 | -177.9 | 0 | 0 | 0 | 106.4 | N108 | N108-I110 PolarHBondContact O-N 3.44Š| ||
| 111 | D | 34.1 | Very low | 34.7 | Very low | 128 Ų | 128 | 160.7 Ų | 160.7 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | -74.7 | 158.6 | -156.6 | -69.9 | -66.9 | 0 | 0 | 0 | 116.6 | Y113 | D111-Y113 VanDerWaalsContact C-N 3.34Å; D111-Y113 PolarHBondContact O-N 3.48Å | ||
| 112 | L | 31.9 | Very low | 34.8 | Very low | 180 Ų | 180 | 158.2 Ų | 158.2 | 94% | 0.942 | 79% | 0.786 | S | S | * | * | trans | -63.8 | 82.9 | 169.7 | -75.8 | 156.2 | 0 | 0 | 0 | 111.7 | S114 | L112-S114 PolarHBondContact O-N 2.8Š| ||
| 113 | Y | 35.1 | Very low | 34.8 | Very low | 221 Ų | 221 | 158.9 Ų | 158.9 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -74.2 | 115.3 | 165.9 | -96.7 | -87.9 | 0 | 0 | 0 | 111.2 | D111 | D111-Y113 VanDerWaalsContact C-N 3.34Å; D111-Y113 PolarHBondContact O-N 3.48Å | ||
| 114 | S | 31.2 | Very low | 34.6 | Very low | 78 Ų | 78 | 157.4 Ų | 157.4 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | trans | -69.4 | 137.3 | -177.4 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | L112 | L112-S114 PolarHBondContact O-N 2.8Š| ||
| 115 | F | 33.9 | Very low | 34.7 | Very low | 204 Ų | 204 | 156.8 Ų | 156.8 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -128.5 | 81.8 | 154.8 | -106.8 | -82.7 | 0 | 0 | 0 | 110.3 | N117 | F115-N117 PolarHBondContact O-N 3.48Å; F115-N117 VanDerWaalsContact O-N 3.14Å | ||
| 116 | N | 34.7 | Very low | 34.5 | Very low | 116 Ų | 116 | 159.7 Ų | 159.7 | 62% | 0.62 | 79% | 0.794 | S | S | * | * | trans | -60.9 | 109.9 | 169.2 | -79.5 | -32.3 | 0 | 0 | 0 | 110.4 | Y118 | N116-Y118 HydrophobicContact CB-CD2 4.1Å; N116-Y118 HydrophobicContact CB-CE2 3.81Å | ||
| 117 | N | 36.1 | Very low | 34.1 | Very low | 144 Ų | 144 | 159.5 Ų | 159.5 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -109.1 | 82.7 | 172.7 | -141.4 | -24.7 | 0 | 0 | 0 | 109.8 | F115 N119 | F115-N117 PolarHBondContact O-N 3.48Å; F115-N117 VanDerWaalsContact O-N 3.14Å; N117-N119 PolarHBondContact O-N 2.76Å; N117-N119 VanDerWaalsContact O-N 3.15Å | ||
| 118 | Y | 34.7 | Very low | 33.7 | Very low | 201 Ų | 201 | 162.9 Ų | 162.9 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -65.5 | 108.3 | -179 | -74.2 | -89.9 | 0 | 0 | 0 | 111.3 | N116 | N116-Y118 HydrophobicContact CB-CD2 4.1Å; N116-Y118 HydrophobicContact CB-CE2 3.81Å | ||
| 119 | N | 39.8 | Very low | 33.6 | Very low | 131 Ų | 131 | 165 Ų | 165 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -143.9 | 99.3 | 166.1 | -105.7 | -55.3 | 0 | 0 | 0 | 113.9 | N117 | N117-N119 PolarHBondContact O-N 2.76Å; N117-N119 VanDerWaalsContact O-N 3.15Å | ||
| 120 | R | 33.8 | Very low | 33.7 | Very low | 232 Ų | 232 | 157.7 Ų | 157.7 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | 49.6 | 79.4 | 148.8 | -63.7 | -179.7 | 170.1 | -177.1 | -2.3 | 117.9 | ||||
| 121 | L | 33.1 | Very low | 33.7 | Very low | 173 Ų | 173 | 156.1 Ų | 156.1 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 130.3 | 138.8 | -72.9 | 169.3 | 0 | 0 | 0 | 109 | ||||
| 122 | K | 35.4 | Very low | 33.9 | Very low | 190 Ų | 190 | 155.3 Ų | 155.3 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -102.1 | 114.7 | 159.3 | -90.4 | -167.8 | 171.8 | -169.3 | 0 | 107.9 | ||||
| 123 | P | 36.9 | Very low | 33.7 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -67.1 | 138.6 | 160.2 | -10.1 | 26.7 | 0 | 0 | 0 | 108.7 | ||||
| 124 | V | 35.1 | Very low | 33.5 | Very low | 136 Ų | 136 | 152 Ų | 152 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -111.3 | 140.5 | 165.2 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 125 | E | 33.2 | Very low | 33.3 | Very low | 181 Ų | 181 | 153.4 Ų | 153.4 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -80.7 | 145.1 | -157.7 | -64.6 | 154.8 | 123.5 | 0 | 0 | 113.6 | ||||
| 126 | L | 29.1 | Very low | 32.9 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -118.7 | 100.2 | 163.5 | -77.9 | 172.7 | 0 | 0 | 0 | 108.2 | ||||
| 127 | S | 29 | Very low | 32.7 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -165 | 156.9 | 170 | -82.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 128 | F | 27 | Very low | 32.6 | Very low | 198 Ų | 198 | 148.5 Ų | 148.5 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | 62.6 | 102.6 | 174.5 | -62.6 | -80.2 | 0 | 0 | 0 | 118.2 | ||||
| 129 | L | 36 | Very low | 32.5 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 95% | 0.948 | 80% | 0.803 | S | S | * | * | -178.2 | 149 | 107.8 | -96.3 | 165.5 | 0 | 0 | 0 | 111.4 | |||||
| 130 | G | 31.6 | Very low | 32.1 | Very low | 71 Ų | 71 | 144.7 Ų | 144.7 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | 93.9 | 105.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 131 | S | 36 | Very low | 32 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 164.7 | 156.5 | -62 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 132 | P | 39.1 | Very low | 31.8 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | cis | -131.2 | -155.6 | -21.5 | 24.7 | 0.7 | 0 | 0 | 0 | 111.1 | ||||
| 133 | L | 27.1 | Very low | 31.9 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 73% | 0.728 | 80% | 0.803 | S | S | * | * | trans | 94.5 | 150.4 | 151.6 | -61.9 | 160.6 | 0 | 0 | 0 | 121.6 | ||||
| 134 | F | 30.8 | Very low | 31.4 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | 85.4 | 111.8 | 160 | -70.7 | -67.1 | 0 | 0 | 0 | 123.2 | ||||
| 135 | S | 28.1 | Very low | 31.3 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 89.9 | 91.2 | 130.4 | -159.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 136 | S | 25.6 | Very low | 31.2 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | 40.1 | 94.6 | 120.5 | -178.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 137 | S | 30.5 | Very low | 31.2 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -158.9 | 84.6 | 137.9 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | H139 | S137-H139 PolarHBondContact O-N 2.8Š| ||
| 138 | T | 32.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -88.9 | 87.1 | 171.1 | 47.2 | 0 | 0 | 0 | 0 | 110.1 | S140 | T138-S140 PolarHBondContact O-N 2.91Š| ||
| 139 | H | 33.2 | Very low | 32 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | trans | -99.3 | 63 | -178.1 | -161.6 | -70.2 | 0 | 0 | 0 | 113 | S137 Y141 | S137-H139 PolarHBondContact O-N 2.8Å; H139-Y141 AromaticContact CE1-CD2 3.4Å; H139-Y141 VanDerWaalsContact CE1-CD2 3.4Å; H139-Y141 WeakPolarHBondContact CE1-CD2 3.29Å; H139-Y141 AromaticContact ND1-CD2 3.87Å; H139-Y141 AromaticContact NE2-CD2 3.82Å; H139-Y141 PolarHBondContact O-N 3.23Å | ||
| 140 | S | 30.6 | Very low | 31.8 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -85.3 | 101.2 | 170.9 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | T138 | T138-S140 PolarHBondContact O-N 2.91Š| ||
| 141 | Y | 31.4 | Very low | 31.9 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -114.3 | 96.8 | 173.8 | -103 | -92.3 | 0 | 0 | 0 | 111.7 | H139 | H139-Y141 AromaticContact CE1-CD2 3.4Å; H139-Y141 VanDerWaalsContact CE1-CD2 3.4Å; H139-Y141 WeakPolarHBondContact CE1-CD2 3.29Å; H139-Y141 AromaticContact ND1-CD2 3.87Å; H139-Y141 AromaticContact NE2-CD2 3.82Å; H139-Y141 PolarHBondContact O-N 3.23Å | ||
| 142 | Y | 30.6 | Very low | 31.8 | Very low | 233 Ų | 233 | 148 Ų | 148 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | trans | -147.7 | 104.2 | 157.2 | -107.8 | -79.3 | 0 | 0 | 0 | 107 | ||||
| 143 | S | 35.8 | Very low | 31.4 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -170.7 | 144.1 | 156.8 | -86.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 144 | D | 28.1 | Very low | 31.5 | Very low | 144 Ų | 144 | 152.9 Ų | 152.9 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -65.8 | 163.5 | 178.1 | -152.1 | -35.9 | 0 | 0 | 0 | 112.5 | ||||
| 145 | G | 32.5 | Very low | 31.4 | Very low | 72 Ų | 72 | 148.6 Ų | 148.6 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -175.1 | 62.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 146 | R | 29.7 | Very low | 31.6 | Very low | 221 Ų | 221 | 150.3 Ų | 150.3 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -75.5 | 121.1 | 175.1 | -52.1 | 179.2 | -164.3 | -177.2 | 3.3 | 112.5 | ||||
| 147 | I | 31 | Very low | 31.7 | Very low | 153 Ų | 153 | 152 Ų | 152 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -139.8 | 127 | 153.3 | -58.8 | -177 | 0 | 0 | 0 | 109 | ||||
| 148 | Y | 35.4 | Very low | 31.8 | Very low | 211 Ų | 211 | 152.9 Ų | 152.9 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -90.2 | 139.9 | 166.6 | -94 | -94.8 | 0 | 0 | 0 | 110.4 | ||||
| 149 | N | 35.3 | Very low | 31.6 | Very low | 149 Ų | 149 | 150 Ų | 150 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 20.3 | 106.2 | 158.8 | -61.5 | -10 | 0 | 0 | 0 | 118.3 | ||||
| 150 | T | 33.5 | Very low | 31.3 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | -103.6 | 110.6 | 161.1 | 46.2 | 0 | 0 | 0 | 0 | 111 | K152 | T150-K152 PolarHBondContact O-N 3.43Š| ||
| 151 | T | 32.7 | Very low | 31.1 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -73.5 | 90.9 | 177.3 | -52.7 | 0 | 0 | 0 | 0 | 111 | Q153 | T151-Q153 PolarHBondContact O-N 2.81Š| ||
| 152 | K | 34.4 | Very low | 31.1 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -72.8 | 109.4 | 153.7 | -76.3 | -177.5 | 175.6 | 178 | 0 | 106.8 | T150 | T150-K152 PolarHBondContact O-N 3.43Š| ||
| 153 | Q | 29.9 | Very low | 30.7 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | 46.7 | 90 | 69 | -64.6 | -167 | -4.6 | 0 | 0 | 113.1 | T151 | T151-Q153 PolarHBondContact O-N 2.81Š| |||
| 154 | Q | 30.7 | Very low | 30.6 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | -163.3 | 110.4 | 123 | -105.8 | 166.1 | 16.5 | 0 | 0 | 110 | |||||
| 155 | A | 27.7 | Very low | 30.6 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -84.8 | 108.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | L157 | A155-L157 PolarHBondContact O-N 2.79Š| ||
| 156 | I | 32.5 | Very low | 30.4 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -90.7 | 92.1 | 170.6 | -67.1 | -178.8 | 0 | 0 | 0 | 107.9 | V158 | I156-V158 VanDerWaalsContact C-N 3.32Å; I156-V158 HydrophobicContact CG2-CG2 3.84Å; I156-V158 PolarHBondContact O-N 3.42Å; I156-V158 VanDerWaalsContact O-N 3.1Å | ||
| 157 | L | 27.4 | Very low | 30.7 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | -83.7 | 69.5 | -178.9 | -167.2 | 83.7 | 0 | 0 | 0 | 110.8 | A155 S159 | A155-L157 PolarHBondContact O-N 2.79Å; L157-S159 WeakPolarHBondContact O-CB 3.4Å; L157-S159 PolarHBondContact O-OG 2.75Å | ||
| 158 | V | 33.3 | Very low | 30.9 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | trans | -85.2 | 98 | 166 | 175.3 | 0 | 0 | 0 | 0 | 106.6 | I156 | I156-V158 VanDerWaalsContact C-N 3.32Å; I156-V158 HydrophobicContact CG2-CG2 3.84Å; I156-V158 PolarHBondContact O-N 3.42Å; I156-V158 VanDerWaalsContact O-N 3.1Å | ||
| 159 | S | 27.6 | Very low | 30.6 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 56% | 0.559 | 76% | 0.759 | S | S | * | * | 67.5 | 128 | 50.8 | -62 | 0 | 0 | 0 | 0 | 115.2 | L157 | L157-S159 WeakPolarHBondContact O-CB 3.4Å; L157-S159 PolarHBondContact O-OG 2.75Å | |||
| 160 | S | 26.7 | Very low | 30.2 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 55.2 | 95.4 | 162.2 | 54.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 161 | S | 27.1 | Very low | 30.5 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 51.9 | 84.8 | 110.8 | -52.5 | 0 | 0 | 0 | 0 | 119.2 | T163 | S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 2.73Å | |||
| 162 | F | 30.3 | Very low | 30.5 | Very low | 220 Ų | 220 | 153.3 Ų | 153.3 | 97% | 0.965 | 77% | 0.77 | S | S | * | * | trans | -84 | 81 | 141.7 | -107.2 | -84.5 | 0 | 0 | 0 | 110.5 | N164 | F162-N164 PolarHBondContact O-N 2.77Š| ||
| 163 | T | 22.9 | Very low | 30 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 63% | 0.626 | 76% | 0.759 | S | S | * | * | trans | -66.5 | 107 | 161.9 | 43.7 | 0 | 0 | 0 | 0 | 109.9 | S161 K165 | S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 2.73Å; T163-K165 PolarHBondContact O-N 3.39Å | ||
| 164 | N | 33 | Very low | 29.7 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -83.1 | 97.7 | 147.6 | -167.3 | -8 | 0 | 0 | 0 | 108 | F162 S166 | F162-N164 PolarHBondContact O-N 2.77Å; N164-S166 PolarHBondContact OD1-N 3Å; N164-S166 PolarHBondContact OD1-O 3.2Å; N164-S166 PolarHBondContact OD1-OG 3.44Å | ||
| 165 | K | 28.8 | Very low | 30.3 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -125.7 | 55.8 | 175.8 | -120.6 | -175.4 | -177.6 | -180 | 0 | 110 | T163 | T163-K165 PolarHBondContact O-N 3.39Š| ||
| 166 | S | 27.4 | Very low | 30.2 | Very low | 83 Ų | 83 | 145.4 Ų | 145.4 | 58% | 0.58 | 74% | 0.744 | S | S | * | * | trans | -147.1 | 123.9 | 176.5 | 32.7 | 0 | 0 | 0 | 0 | 107.1 | N164 | N164-S166 PolarHBondContact OD1-N 3Å; N164-S166 PolarHBondContact OD1-O 3.2Å; N164-S166 PolarHBondContact OD1-OG 3.44Å | ||
| 167 | E | 37.9 | Very low | 29.8 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | cis | -117.3 | 145.6 | 28.4 | -59.3 | -154.9 | 104 | 0 | 0 | 114.6 | ||||
| 168 | K | 34.3 | Very low | 29.9 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | 53.8 | 123.5 | 101 | -47.4 | 170.3 | -170.9 | 162.4 | 0 | 113.8 | |||||
| 169 | K | 29.1 | Very low | 30.1 | Very low | 196 Ų | 196 | 146 Ų | 146 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | cis | 75 | 122.9 | 41.9 | -61.2 | -177.9 | 172.5 | 178.3 | 0 | 114.9 | ||||
| 170 | R | 27.7 | Very low | 30 | Very low | 239 Ų | 239 | 149.4 Ų | 149.4 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | 104.2 | 50.5 | 153.6 | -56.8 | 175 | 80.9 | 166.9 | 4.9 | 121.1 | ||||
| 171 | I | 40 | Very low | 29.8 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -150.5 | 138.6 | 139.4 | -52.7 | -178.6 | 0 | 0 | 0 | 105.7 | ||||
| 172 | R | 31.4 | Very low | 30.5 | Very low | 225 Ų | 225 | 153.4 Ų | 153.4 | 85% | 0.849 | 76% | 0.764 | S | S | * | * | cis | 74.1 | 122.5 | -24.3 | -168.5 | -174.1 | -80.8 | -149.6 | -1 | 122 | ||||
| 173 | S | 24.4 | Very low | 30.7 | Very low | 84 Ų | 84 | 152 Ų | 152 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | trans | 75.8 | 130.6 | 156.5 | -71.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 174 | L | 23.4 | Very low | 30.7 | Very low | 153 Ų | 153 | 155 Ų | 155 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | 65.3 | 122.7 | 175.9 | -44.4 | 172.9 | 0 | 0 | 0 | 113.7 | E176 | L174-E176 WeakPolarHBondContact CA-OE2 3.16Å; L174-E176 PolarHBondContact N-OE2 3.43Å | ||
| 175 | S | 42.9 | Very low | 30.4 | Very low | 108 Ų | 108 | 156.2 Ų | 156.2 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | -102.9 | 154.9 | -3.1 | 42.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 176 | E | 27.2 | Very low | 29.9 | Very low | 134 Ų | 134 | 154 Ų | 154 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | cis | 69.8 | 107.7 | -7.8 | -55.2 | 160.9 | 78.2 | 0 | 0 | 116.5 | L174 | L174-E176 WeakPolarHBondContact CA-OE2 3.16Å; L174-E176 PolarHBondContact N-OE2 3.43Å | ||
| 177 | L | 22.9 | Very low | 29.9 | Very low | 171 Ų | 171 | 160.9 Ų | 160.9 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | trans | 93.9 | 129.2 | -178.1 | -56.2 | 164.4 | 0 | 0 | 0 | 116.8 | ||||
| 178 | S | 30.2 | Very low | 29.5 | Very low | 106 Ų | 106 | 165.7 Ų | 165.7 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 65.4 | 142.9 | 171.3 | -74 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 179 | L | 37.1 | Very low | 29.1 | Very low | 153 Ų | 153 | 162.6 Ų | 162.6 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | cis | -112 | 150.6 | -22.8 | -103.9 | 65.8 | 0 | 0 | 0 | 107 | ||||
| 180 | Q | 26.1 | Very low | 29.1 | Very low | 152 Ų | 152 | 162 Ų | 162 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | cis | 76.1 | 114.8 | 4.3 | -159.4 | 171.2 | -20.2 | 0 | 0 | 118.4 | ||||
| 181 | H | 22.6 | Very low | 29.3 | Very low | 154 Ų | 154 | 154.5 Ų | 154.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 62.9 | 90.5 | 158.6 | -78.1 | 49.4 | 0 | 0 | 0 | 119.7 | ||||
| 182 | V | 41.7 | Very low | 29 | Very low | 133 Ų | 133 | 155 Ų | 155 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | -171 | 115.8 | 125.4 | 142.6 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 183 | Y | 33.3 | Very low | 28.9 | Very low | 192 Ų | 192 | 151 Ų | 151 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | 63.5 | 124.1 | 78.5 | -85.6 | -105.3 | 0 | 0 | 0 | 113.7 | |||||
| 184 | H | 24.1 | Very low | 29.7 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | 62.4 | 97.2 | 55.1 | -84.8 | -78.6 | 0 | 0 | 0 | 115.4 | |||||
| 185 | K | 25.4 | Very low | 30.6 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | 55.8 | 112.9 | 118.9 | -170.6 | -143.3 | 176.2 | -142.5 | 0 | 118 | |||||
| 186 | E | 20 | Very low | 30.7 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | -159.1 | 158.6 | 119.1 | -153.6 | 55.4 | -161.2 | 0 | 0 | 111.6 | |||||
| 187 | R | 26.8 | Very low | 31.4 | Very low | 227 Ų | 227 | 148.6 Ų | 148.6 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -95 | 134.1 | 173 | -84.1 | 175.1 | 161.3 | -176.6 | -6.3 | 110.7 | ||||
| 188 | R | 28.4 | Very low | 32.7 | Very low | 247 Ų | 247 | 145 Ų | 145 | 93% | 0.932 | 75% | 0.749 | S | S | * | * | trans | 170.4 | 149.9 | 149.2 | -96 | 150.8 | -176.6 | 176.2 | 1.8 | 107.9 | ||||
| 189 | S | 27.6 | Very low | 33.8 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | cis | -144.5 | 153.7 | -10.1 | 46.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 190 | E | 27.8 | Very low | 34.5 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | 43.2 | 135.1 | 77.8 | -84.6 | 172.5 | -169 | 0 | 0 | 114.4 | |||||
| 191 | A | 32.2 | Very low | 35.6 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | trans | 73.1 | 98 | -178.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 192 | E | 33.3 | Very low | 37.2 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | 73.8 | 142.3 | 119.1 | -68.9 | 157.3 | -155.5 | 0 | 0 | 123.1 | G194 | E192-G194 PolarHBondContact O-N 2.74Š| |||
| 193 | T | 29.5 | Very low | 38 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 85% | 0.853 | 67% | 0.672 | S | S | * | * | trans | 49.4 | 50.6 | 151.5 | 56.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 194 | G | 42.3 | Very low | 39.3 | Very low | 55 Ų | 55 | 129.8 Ų | 129.8 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | 47.6 | 84 | 95.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | E192 | E192-G194 PolarHBondContact O-N 2.74Š| |||
| 195 | V | 40.8 | Very low | 40.8 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 66% | 0.655 | 65% | 0.646 | S | S | * | * | 49.5 | 84.4 | 112.1 | 174.1 | 0 | 0 | 0 | 0 | 115.8 | C199 | V195-C199 HydrophobicContact CB-CB 4.26Å; V195-C199 HydrophobicContact CG1-CB 3.81Å; V195-C199 VanDerWaalsContact CG1-SG 3.57Å; V195-C199 HydrophobicContact CG2-CB 4.37Å | |||
| 196 | H | 45.6 | Very low | 42.5 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 78% | 0.778 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -146.8 | -32.6 | 163.8 | -92.2 | -63.3 | 0 | 0 | 0 | 117 | ||
| 197 | S | 42.4 | Very low | 44.4 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -107.5 | -69.8 | -172 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | C199 N200 | S197-C199 PolarHBondContact O-N 3.18Å; S197-N200 VanDerWaalsContact O-CB 3.28Å; S197-N200 WeakPolarHBondContact O-CB 3.48Å; S197-N200 PolarHBondContact O-N 3.28Å |
| 198 | S | 50.3 | Low | 46.2 | Very low | 96 Ų | 96 | 116 Ų | 116 | 67% | 0.671 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.7 | -28.6 | 174 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | N200 Y202 | S198-N200 PolarHBondContact O-N 3.39Å; S198-N200 VanDerWaalsContact O-N 3.16Å; S198-Y202 PolarHBondContact O-N 2.85Å |
| 199 | C | 52.7 | Low | 47.6 | Very low | 60 Ų | 60 | 109.1 Ų | 109.1 | 41% | 0.405 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.3 | 13.6 | 170.2 | -151.8 | 0 | 0 | 0 | 0 | 113.8 | V195 S197 G203 | V195-C199 HydrophobicContact CB-CB 4.26Å; V195-C199 HydrophobicContact CG1-CB 3.81Å; V195-C199 VanDerWaalsContact CG1-SG 3.57Å; V195-C199 HydrophobicContact CG2-CB 4.37Å; S197-C199 PolarHBondContact O-N 3.18Å; C199-G203 WeakPolarHBondContact O-CA 3.08Å |
| 200 | N | 51.3 | Low | 49.3 | Very low | 90 Ų | 90 | 109.5 Ų | 109.5 | 48% | 0.481 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -114.8 | -41.7 | 173.9 | -162.8 | -17.7 | 0 | 0 | 0 | 111.5 | S197 S198 G203 K204 | S197-N200 VanDerWaalsContact O-CB 3.28Å; S197-N200 WeakPolarHBondContact O-CB 3.48Å; S197-N200 PolarHBondContact O-N 3.28Å; S198-N200 PolarHBondContact O-N 3.39Å; S198-N200 VanDerWaalsContact O-N 3.16Å; N200-G203 CarbonylContact O-C 3.59Å; N200-K204 VanDerWaalsContact O-CG 3.27Å; N200-K204 WeakPolarHBondContact O-CG 3.27Å; N200-K204 PolarHBondContact O-N 2.87Å |
| 201 | H | 50.6 | Low | 51.1 | Low | 131 Ų | 131 | 107 Ų | 107 | 61% | 0.606 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.8 | -52.8 | 170.2 | -160 | -61.5 | 0 | 0 | 0 | 111.3 | G203 K204 E205 | H201-G203 PolarHBondContact O-N 2.8Å; H201-K204 WeakPolarHBondContact O-CA 3.18Å; H201-K204 WeakPolarHBondContact O-CB 3.19Å; H201-K204 PolarHBondContact O-N 2.98Å; H201-E205 IonicContact ND1-OE2 3.24Å; H201-E205 PolarHBondContact O-N 3.36Å |
| 202 | Y | 54.6 | Low | 52.5 | Low | 142 Ų | 142 | 107.3 Ų | 107.3 | 56% | 0.557 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76.4 | -11.1 | 169.5 | -77.4 | -83 | 0 | 0 | 0 | 112.4 | S198 E205 L206 | S198-Y202 PolarHBondContact O-N 2.85Å; Y202-E205 HydrophobicContact CD1-CB 3.81Å; Y202-E205 HydrophobicContact CD1-CG 4.3Å; Y202-E205 HydrophobicContact CE1-CB 4.21Å; Y202-E205 HydrophobicContact CE1-CG 4.22Å; Y202-E205 WeakPolarHBondContact CE1-OE1 3.39Å; Y202-E205 VanDerWaalsContact CE1-OE2 3.29Å; Y202-E205 WeakPolarHBondContact CE1-OE2 2.9Å; Y202-E205 HydrophobicContact CG-CB 4.5Å; Y202-L206 WeakPolarHBondContact O-CB 3.21Å; Y202-L206 WeakPolarHBondContact O-CD1 3.28Å; Y202-L206 WeakPolarHBondContact O-CG 3.47Å; Y202-L206 PolarHBondContact O-N 3.07Å |
| 203 | G | 59.7 | Low | 54.1 | Low | 10 Ų | 10 | 103.9 Ų | 103.9 | 10% | 0.103 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -67 | -34.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113 | C199 N200 H201 N207 | C199-G203 WeakPolarHBondContact O-CA 3.08Å; N200-G203 CarbonylContact O-C 3.59Å; H201-G203 PolarHBondContact O-N 2.8Å; G203-N207 VanDerWaalsContact O-CB 3.3Å; G203-N207 WeakPolarHBondContact O-CB 3.39Å; G203-N207 PolarHBondContact O-N 3.25Å; G203-N207 PolarHBondContact O-ND2 3.28Å |
| 204 | K | 60 | Low | 55.6 | Low | 137 Ų | 137 | 101.8 Ų | 101.8 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -77.8 | -36.2 | 171.7 | -73.5 | 169.3 | -172.7 | -176 | 0 | 112.3 | N200 H201 N207 Y208 | N200-K204 VanDerWaalsContact O-CG 3.27Å; N200-K204 WeakPolarHBondContact O-CG 3.27Å; N200-K204 PolarHBondContact O-N 2.87Å; H201-K204 WeakPolarHBondContact O-CA 3.18Å; H201-K204 WeakPolarHBondContact O-CB 3.19Å; H201-K204 PolarHBondContact O-N 2.98Å; K204-N207 PolarHBondContact O-N 3.45Å; K204-Y208 WeakPolarHBondContact O-CB 3.29Å; K204-Y208 PolarHBondContact O-N 2.8Å |
| 205 | E | 56.2 | Low | 57.2 | Low | 78 Ų | 78 | 101.5 Ų | 101.5 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 174.4 | -138.2 | 155.7 | 130.7 | 0 | 0 | 110.7 | H201 Y202 L209 | H201-E205 IonicContact ND1-OE2 3.24Å; H201-E205 PolarHBondContact O-N 3.36Å; Y202-E205 HydrophobicContact CD1-CB 3.81Å; Y202-E205 HydrophobicContact CD1-CG 4.3Å; Y202-E205 HydrophobicContact CE1-CB 4.21Å; Y202-E205 HydrophobicContact CE1-CG 4.22Å; Y202-E205 WeakPolarHBondContact CE1-OE1 3.39Å; Y202-E205 VanDerWaalsContact CE1-OE2 3.29Å; Y202-E205 WeakPolarHBondContact CE1-OE2 2.9Å; Y202-E205 HydrophobicContact CG-CB 4.5Å; E205-L209 VanDerWaalsContact O-CB 3.29Å; E205-L209 WeakPolarHBondContact O-CB 3.3Å; E205-L209 WeakPolarHBondContact O-CG 3.45Å; E205-L209 PolarHBondContact O-N 3.3Å |
| 206 | L | 60.5 | Low | 58.5 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60 | -55.1 | 164.1 | -76.8 | 168.5 | 0 | 0 | 0 | 111.3 | Y202 Y208 L209 Q210 | Y202-L206 WeakPolarHBondContact O-CB 3.21Å; Y202-L206 WeakPolarHBondContact O-CD1 3.28Å; Y202-L206 WeakPolarHBondContact O-CG 3.47Å; Y202-L206 PolarHBondContact O-N 3.07Å; L206-Y208 VanDerWaalsContact C-N 3.25Å; L206-Y208 PolarHBondContact O-N 2.84Å; L206-L209 PolarHBondContact O-N 3.41Å; L206-Q210 WeakPolarHBondContact O-CA 3.49Å; L206-Q210 WeakPolarHBondContact O-CB 3.37Å; L206-Q210 PolarHBondContact O-N 2.84Å |
| 207 | N | 58.9 | Low | 60 | Low | 89 Ų | 89 | 98.7 Ų | 98.7 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -31.3 | -178.8 | -89.4 | -89.3 | 0 | 0 | 0 | 113.4 | G203 K204 Q211 | G203-N207 VanDerWaalsContact O-CB 3.3Å; G203-N207 WeakPolarHBondContact O-CB 3.39Å; G203-N207 PolarHBondContact O-N 3.25Å; G203-N207 PolarHBondContact O-ND2 3.28Å; K204-N207 PolarHBondContact O-N 3.45Å; N207-Q211 WeakPolarHBondContact O-CB 3.45Å; N207-Q211 VanDerWaalsContact O-CG 3.23Å; N207-Q211 WeakPolarHBondContact O-CG 3.48Å; N207-Q211 PolarHBondContact O-N 2.79Å |
| 208 | Y | 64.9 | Low | 61.7 | Low | 142 Ų | 142 | 100.1 Ų | 100.1 | 56% | 0.557 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -75.2 | -51 | 177.1 | -177.3 | -83.3 | 0 | 0 | 0 | 110.9 | K204 L206 Q210 Q211 E212 | K204-Y208 WeakPolarHBondContact O-CB 3.29Å; K204-Y208 PolarHBondContact O-N 2.8Å; L206-Y208 VanDerWaalsContact C-N 3.25Å; L206-Y208 PolarHBondContact O-N 2.84Å; Y208-Q210 PolarHBondContact O-N 3.42Å; Y208-Q211 PolarHBondContact O-N 3.47Å; Y208-E212 HydrophobicContact CE1-CB 4.39Å; Y208-E212 WeakPolarHBondContact CE1-OE2 3.21Å; Y208-E212 WeakPolarHBondContact O-CB 2.96Å; Y208-E212 PolarHBondContact O-N 2.91Å; Y208-E212 PolarHBondContact OH-OE2 2.98Å |
| 209 | L | 59.3 | Low | 62.9 | Low | 104 Ų | 104 | 100.7 Ų | 100.7 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -30.9 | 173.5 | -74.3 | 164.2 | 0 | 0 | 0 | 111.5 | E205 L206 L213 | E205-L209 VanDerWaalsContact O-CB 3.29Å; E205-L209 WeakPolarHBondContact O-CB 3.3Å; E205-L209 WeakPolarHBondContact O-CG 3.45Å; E205-L209 PolarHBondContact O-N 3.3Å; L206-L209 PolarHBondContact O-N 3.41Å; L209-L213 WeakPolarHBondContact O-CA 2.91Å; L209-L213 WeakPolarHBondContact O-CB 3.02Å; L209-L213 PolarHBondContact O-N 2.83Å |
| 210 | Q | 62.3 | Low | 64.1 | Low | 105 Ų | 105 | 100.4 Ų | 100.4 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.6 | -37.3 | 175.8 | -176.4 | 176.2 | -2.4 | 0 | 0 | 111 | L206 Y208 M214 | L206-Q210 WeakPolarHBondContact O-CA 3.49Å; L206-Q210 WeakPolarHBondContact O-CB 3.37Å; L206-Q210 PolarHBondContact O-N 2.84Å; Y208-Q210 PolarHBondContact O-N 3.42Å; Q210-M214 HydrophobicContact CG-CG 4.43Å; Q210-M214 HydrophobicContact CG-SD 4.02Å; Q210-M214 WeakPolarHBondContact O-CA 3.23Å; Q210-M214 WeakPolarHBondContact O-CB 3.44Å; Q210-M214 WeakPolarHBondContact O-CG 3.09Å; Q210-M214 PolarHBondContact O-N 2.98Å |
| 211 | Q | 66.6 | Low | 65.4 | Low | 131 Ų | 131 | 100.3 Ų | 100.3 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.8 | -47.8 | 172.8 | -82.2 | -179.5 | -13.5 | 0 | 0 | 112.1 | N207 Y208 M214 A215 | N207-Q211 WeakPolarHBondContact O-CB 3.45Å; N207-Q211 VanDerWaalsContact O-CG 3.23Å; N207-Q211 WeakPolarHBondContact O-CG 3.48Å; N207-Q211 PolarHBondContact O-N 2.79Å; Y208-Q211 PolarHBondContact O-N 3.47Å; Q211-M214 PolarHBondContact O-N 3.44Å; Q211-A215 VanDerWaalsContact O-CB 3.29Å; Q211-A215 WeakPolarHBondContact O-CB 3.37Å; Q211-A215 PolarHBondContact O-N 3.32Å |
| 212 | E | 61.1 | Low | 66.9 | Low | 89 Ų | 89 | 101.4 Ų | 101.4 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.9 | -33.3 | -179.7 | -167.5 | 174.1 | 154.5 | 0 | 0 | 111.5 | Y208 A215 R216 | Y208-E212 HydrophobicContact CE1-CB 4.39Å; Y208-E212 WeakPolarHBondContact CE1-OE2 3.21Å; Y208-E212 WeakPolarHBondContact O-CB 2.96Å; Y208-E212 PolarHBondContact O-N 2.91Å; Y208-E212 PolarHBondContact OH-OE2 2.98Å; E212-A215 WeakPolarHBondContact O-CB 3.29Å; E212-A215 PolarHBondContact O-N 2.83Å; E212-R216 WeakPolarHBondContact O-CG 3.48Å; E212-R216 PolarHBondContact O-N 3.31Å |
| 213 | L | 67.2 | Low | 68 | Low | 104 Ų | 104 | 99 Ų | 99 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -85.2 | -26.4 | 174.6 | -150.8 | 147.3 | 0 | 0 | 0 | 112.6 | L209 A215 R216 T217 | L209-L213 WeakPolarHBondContact O-CA 2.91Å; L209-L213 WeakPolarHBondContact O-CB 3.02Å; L209-L213 PolarHBondContact O-N 2.83Å; L213-A215 VanDerWaalsContact C-N 3.31Å; L213-R216 HydrophobicContact CG-CB 4.47Å; L213-R216 CarbonylContact O-C 3.5Å; L213-R216 WeakPolarHBondContact O-CB 3.46Å; L213-R216 PolarHBondContact O-N 3.05Å; L213-T217 PolarHBondContact O-N 2.93Å; L213-T217 PolarHBondContact O-OG1 2.62Å |
| 214 | M | 61.2 | Low | 69 | Low | 95 Ų | 95 | 100.6 Ų | 100.6 | 47% | 0.468 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 160.7 | -83.7 | 171.2 | 54.6 | 0 | 0 | 110.6 | Q210 Q211 R216 T217 E218 | Q210-M214 HydrophobicContact CG-CG 4.43Å; Q210-M214 HydrophobicContact CG-SD 4.02Å; Q210-M214 WeakPolarHBondContact O-CA 3.23Å; Q210-M214 WeakPolarHBondContact O-CB 3.44Å; Q210-M214 WeakPolarHBondContact O-CG 3.09Å; Q210-M214 PolarHBondContact O-N 2.98Å; Q211-M214 PolarHBondContact O-N 3.44Å; M214-R216 VanDerWaalsContact C-N 3.28Å; M214-R216 PolarHBondContact O-N 3.05Å; M214-T217 CarbonylContact O-C 3.49Å; M214-T217 WeakPolarHBondContact O-CA 3.18Å; M214-T217 WeakPolarHBondContact O-CB 3.37Å; M214-T217 PolarHBondContact O-N 3.37Å; M214-E218 WeakPolarHBondContact O-CG 3.45Å; M214-E218 PolarHBondContact O-N 3.5Å |
| 215 | A | 74.4 | Confident | 69.9 | Low | 49 Ų | 49 | 99.9 Ų | 99.9 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q211 E212 L213 E219 | Q211-A215 VanDerWaalsContact O-CB 3.29Å; Q211-A215 WeakPolarHBondContact O-CB 3.37Å; Q211-A215 PolarHBondContact O-N 3.32Å; E212-A215 WeakPolarHBondContact O-CB 3.29Å; E212-A215 PolarHBondContact O-N 2.83Å; L213-A215 VanDerWaalsContact C-N 3.31Å; A215-E219 WeakPolarHBondContact O-CB 3.27Å; A215-E219 PolarHBondContact O-N 2.84Å |
| 216 | R | 68.8 | Low | 71.2 | Confident | 148 Ų | 148 | 102.7 Ų | 102.7 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.8 | -31.9 | 167.8 | -71.1 | -172.8 | 176.5 | -73.9 | -2.3 | 113.9 | E212 L213 M214 A220 | E212-R216 WeakPolarHBondContact O-CG 3.48Å; E212-R216 PolarHBondContact O-N 3.31Å; L213-R216 HydrophobicContact CG-CB 4.47Å; L213-R216 CarbonylContact O-C 3.5Å; L213-R216 WeakPolarHBondContact O-CB 3.46Å; L213-R216 PolarHBondContact O-N 3.05Å; M214-R216 VanDerWaalsContact C-N 3.28Å; M214-R216 PolarHBondContact O-N 3.05Å; R216-A220 WeakPolarHBondContact O-CB 3.05Å; R216-A220 PolarHBondContact O-N 2.91Å |
| 217 | T | 76 | Confident | 72.2 | Confident | 68 Ų | 68 | 101.5 Ų | 101.5 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.8 | -46.8 | 174.3 | -44.6 | 0 | 0 | 0 | 0 | 110.5 | L213 M214 E219 A220 D221 | L213-T217 PolarHBondContact O-N 2.93Å; L213-T217 PolarHBondContact O-OG1 2.62Å; M214-T217 CarbonylContact O-C 3.49Å; M214-T217 WeakPolarHBondContact O-CA 3.18Å; M214-T217 WeakPolarHBondContact O-CB 3.37Å; M214-T217 PolarHBondContact O-N 3.37Å; T217-E219 VanDerWaalsContact C-N 3.3Å; T217-E219 PolarHBondContact O-N 3.27Å; T217-A220 CarbonylContact O-C 3.59Å; T217-A220 PolarHBondContact O-N 3.36Å; T217-D221 VanDerWaalsContact O-CB 3.27Å; T217-D221 WeakPolarHBondContact O-CB 3.47Å; T217-D221 PolarHBondContact O-N 2.96Å |
| 218 | E | 78.2 | Confident | 73.4 | Confident | 129 Ų | 129 | 102.4 Ų | 102.4 | 60% | 0.603 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -33.1 | 174.6 | -70.3 | -175.6 | 162.3 | 0 | 0 | 112.2 | M214 K222 | M214-E218 WeakPolarHBondContact O-CG 3.45Å; M214-E218 PolarHBondContact O-N 3.5Å; E218-K222 WeakPolarHBondContact O-CB 3.18Å; E218-K222 WeakPolarHBondContact O-CG 3.18Å; E218-K222 PolarHBondContact O-N 3.1Å |
| 219 | E | 77.3 | Confident | 74.3 | Confident | 107 Ų | 107 | 100.8 Ų | 100.8 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73 | -41.4 | 172.4 | -175.7 | 175.2 | -115.8 | 0 | 0 | 111.3 | A215 T217 K222 I223 | A215-E219 WeakPolarHBondContact O-CB 3.27Å; A215-E219 PolarHBondContact O-N 2.84Å; T217-E219 VanDerWaalsContact C-N 3.3Å; T217-E219 PolarHBondContact O-N 3.27Å; E219-K222 WeakPolarHBondContact O-CB 3.27Å; E219-K222 PolarHBondContact O-N 2.87Å; E219-I223 HydrophobicContact CG-CD1 4.02Å; E219-I223 WeakPolarHBondContact O-CB 3.39Å; E219-I223 WeakPolarHBondContact O-CD1 3.34Å; E219-I223 WeakPolarHBondContact O-CG1 3.21Å; E219-I223 PolarHBondContact O-N 3.3Å |
| 220 | A | 77.9 | Confident | 75.3 | Confident | 54 Ų | 54 | 98.3 Ų | 98.3 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.9 | -37.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R216 T217 I223 A224 | R216-A220 WeakPolarHBondContact O-CB 3.05Å; R216-A220 PolarHBondContact O-N 2.91Å; T217-A220 CarbonylContact O-C 3.59Å; T217-A220 PolarHBondContact O-N 3.36Å; A220-I223 PolarHBondContact O-N 3Å; A220-A224 VanDerWaalsContact O-CB 3.27Å; A220-A224 WeakPolarHBondContact O-CB 3.21Å; A220-A224 PolarHBondContact O-N 2.81Å |
| 221 | D | 78.7 | Confident | 76.2 | Confident | 88 Ų | 88 | 99.9 Ų | 99.9 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72 | -37.2 | 173.7 | -75.5 | -28.6 | 0 | 0 | 0 | 110.6 | T217 A224 H225 | T217-D221 VanDerWaalsContact O-CB 3.27Å; T217-D221 WeakPolarHBondContact O-CB 3.47Å; T217-D221 PolarHBondContact O-N 2.96Å; D221-A224 PolarHBondContact O-N 2.96Å; D221-H225 WeakPolarHBondContact O-CB 3.33Å; D221-H225 PolarHBondContact O-CD2 3.49Å; D221-H225 PolarHBondContact O-N 2.92Å |
| 222 | K | 81.4 | Confident | 77 | Confident | 155 Ų | 155 | 98.4 Ų | 98.4 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58 | -51.7 | 166.4 | -94.1 | 179.6 | 170.6 | 178.2 | 0 | 111.3 | E218 E219 A224 H225 E226 | E218-K222 WeakPolarHBondContact O-CB 3.18Å; E218-K222 WeakPolarHBondContact O-CG 3.18Å; E218-K222 PolarHBondContact O-N 3.1Å; E219-K222 WeakPolarHBondContact O-CB 3.27Å; E219-K222 PolarHBondContact O-N 2.87Å; K222-A224 VanDerWaalsContact C-N 3.27Å; K222-A224 PolarHBondContact O-N 2.71Å; K222-H225 CarbonylContact O-C 3.52Å; K222-H225 PolarHBondContact O-N 3.34Å; K222-E226 WeakPolarHBondContact O-CB 3.27Å; K222-E226 PolarHBondContact O-N 2.98Å |
| 223 | I | 77.9 | Confident | 78.2 | Confident | 90 Ų | 90 | 99.6 Ų | 99.6 | 46% | 0.462 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 178.8 | -70.9 | 163.5 | 0 | 0 | 0 | 110.2 | E219 A220 E226 V227 | E219-I223 HydrophobicContact CG-CD1 4.02Å; E219-I223 WeakPolarHBondContact O-CB 3.39Å; E219-I223 WeakPolarHBondContact O-CD1 3.34Å; E219-I223 WeakPolarHBondContact O-CG1 3.21Å; E219-I223 PolarHBondContact O-N 3.3Å; A220-I223 PolarHBondContact O-N 3Å; I223-E226 PolarHBondContact O-N 2.72Å; I223-V227 HydrophobicContact CG2-CG2 4.27Å; I223-V227 WeakPolarHBondContact O-CB 3.32Å; I223-V227 WeakPolarHBondContact O-CG2 3.39Å; I223-V227 PolarHBondContact O-N 2.98Å |
| 224 | A | 80.3 | Confident | 78.9 | Confident | 44 Ų | 44 | 100.8 Ų | 100.8 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A220 D221 K222 I228 | A220-A224 VanDerWaalsContact O-CB 3.27Å; A220-A224 WeakPolarHBondContact O-CB 3.21Å; A220-A224 PolarHBondContact O-N 2.81Å; D221-A224 PolarHBondContact O-N 2.96Å; K222-A224 VanDerWaalsContact C-N 3.27Å; K222-A224 PolarHBondContact O-N 2.71Å; A224-I228 WeakPolarHBondContact O-CB 3.38Å; A224-I228 WeakPolarHBondContact O-CD1 3.35Å; A224-I228 WeakPolarHBondContact O-CG1 3.15Å; A224-I228 PolarHBondContact O-N 3.21Å |
| 225 | H | 79.9 | Confident | 80 | Confident | 123 Ų | 123 | 102.7 Ų | 102.7 | 57% | 0.569 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -40.9 | 174 | -77.6 | -55.2 | 0 | 0 | 0 | 112.4 | D221 K222 I228 L229 | D221-H225 WeakPolarHBondContact O-CB 3.33Å; D221-H225 PolarHBondContact O-CD2 3.49Å; D221-H225 PolarHBondContact O-N 2.92Å; K222-H225 CarbonylContact O-C 3.52Å; K222-H225 PolarHBondContact O-N 3.34Å; H225-I228 PolarHBondContact O-N 3.1Å; H225-L229 WeakPolarHBondContact O-CB 3.24Å; H225-L229 VanDerWaalsContact O-CG 3.24Å; H225-L229 WeakPolarHBondContact O-CG 3.32Å; H225-L229 PolarHBondContact O-N 2.94Å |
| 226 | E | 81.9 | Confident | 80.5 | Confident | 136 Ų | 136 | 105.4 Ų | 105.4 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.6 | -37.2 | 179.5 | -164.1 | 166.4 | -120.2 | 0 | 0 | 111.3 | K222 I223 L229 A230 | K222-E226 WeakPolarHBondContact O-CB 3.27Å; K222-E226 PolarHBondContact O-N 2.98Å; I223-E226 PolarHBondContact O-N 2.72Å; E226-L229 PolarHBondContact O-N 3.32Å; E226-A230 VanDerWaalsContact O-CB 3.27Å; E226-A230 WeakPolarHBondContact O-CB 3.1Å; E226-A230 PolarHBondContact O-N 3.31Å |
| 227 | V | 81.5 | Confident | 81.2 | Confident | 82 Ų | 82 | 104.7 Ų | 104.7 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 168.9 | 166.5 | 0 | 0 | 0 | 0 | 111.8 | I223 K231 | I223-V227 HydrophobicContact CG2-CG2 4.27Å; I223-V227 WeakPolarHBondContact O-CB 3.32Å; I223-V227 WeakPolarHBondContact O-CG2 3.39Å; I223-V227 PolarHBondContact O-N 2.98Å; V227-K231 WeakPolarHBondContact O-CB 3.36Å; V227-K231 PolarHBondContact O-N 3.47Å |
| 228 | I | 85.1 | Confident | 81.8 | Confident | 108 Ų | 108 | 106 Ų | 106 | 55% | 0.554 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.6 | -43.5 | 173.3 | -74.8 | 163.5 | 0 | 0 | 0 | 110.5 | A224 H225 K231 N232 | A224-I228 WeakPolarHBondContact O-CB 3.38Å; A224-I228 WeakPolarHBondContact O-CD1 3.35Å; A224-I228 WeakPolarHBondContact O-CG1 3.15Å; A224-I228 PolarHBondContact O-N 3.21Å; H225-I228 PolarHBondContact O-N 3.1Å; I228-K231 PolarHBondContact O-N 3Å; I228-N232 WeakPolarHBondContact O-CB 3.43Å; I228-N232 PolarHBondContact O-N 3.22Å |
| 229 | L | 84 | Confident | 82 | Confident | 107 Ų | 107 | 105.8 Ų | 105.8 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.7 | -50.7 | 176 | -74.6 | 167.2 | 0 | 0 | 0 | 110.9 | H225 E226 K231 N232 E233 | H225-L229 WeakPolarHBondContact O-CB 3.24Å; H225-L229 VanDerWaalsContact O-CG 3.24Å; H225-L229 WeakPolarHBondContact O-CG 3.32Å; H225-L229 PolarHBondContact O-N 2.94Å; E226-L229 PolarHBondContact O-N 3.32Å; L229-K231 VanDerWaalsContact C-N 3.28Å; L229-K231 PolarHBondContact O-N 2.64Å; L229-N232 CarbonylContact O-C 3.59Å; L229-N232 WeakPolarHBondContact O-CA 3.4Å; L229-N232 WeakPolarHBondContact O-CB 3.22Å; L229-N232 PolarHBondContact O-N 3.38Å; L229-E233 PolarHBondContact O-N 2.87Å |
| 230 | A | 80.7 | Confident | 82.5 | Confident | 53 Ų | 53 | 105.9 Ų | 105.9 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.6 | -36.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E226 N232 E233 E234 | E226-A230 VanDerWaalsContact O-CB 3.27Å; E226-A230 WeakPolarHBondContact O-CB 3.1Å; E226-A230 PolarHBondContact O-N 3.31Å; A230-N232 VanDerWaalsContact C-N 3.34Å; A230-E233 PolarHBondContact O-N 3.39Å; A230-E234 VanDerWaalsContact O-CB 3.32Å; A230-E234 WeakPolarHBondContact O-CB 3.41Å; A230-E234 PolarHBondContact O-N 3.42Å |
| 231 | K | 81 | Confident | 82.9 | Confident | 137 Ų | 137 | 108.1 Ų | 108.1 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.1 | -31.9 | 170.8 | -106.4 | -178.6 | 173.3 | 176.6 | 0 | 113.7 | V227 I228 L229 K235 | V227-K231 WeakPolarHBondContact O-CB 3.36Å; V227-K231 PolarHBondContact O-N 3.47Å; I228-K231 PolarHBondContact O-N 3Å; L229-K231 VanDerWaalsContact C-N 3.28Å; L229-K231 PolarHBondContact O-N 2.64Å; K231-K235 WeakPolarHBondContact O-CB 3.22Å; K231-K235 PolarHBondContact O-N 3.06Å |
| 232 | N | 83.1 | Confident | 83.3 | Confident | 101 Ų | 101 | 108.2 Ų | 108.2 | 54% | 0.54 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75.2 | -35 | 177.5 | -147.8 | 45.6 | 0 | 0 | 0 | 110.5 | I228 L229 A230 Q236 | I228-N232 WeakPolarHBondContact O-CB 3.43Å; I228-N232 PolarHBondContact O-N 3.22Å; L229-N232 CarbonylContact O-C 3.59Å; L229-N232 WeakPolarHBondContact O-CA 3.4Å; L229-N232 WeakPolarHBondContact O-CB 3.22Å; L229-N232 PolarHBondContact O-N 3.38Å; A230-N232 VanDerWaalsContact C-N 3.34Å; N232-Q236 VanDerWaalsContact O-CB 3.22Å; N232-Q236 WeakPolarHBondContact O-CB 3.28Å; N232-Q236 PolarHBondContact O-N 2.91Å |
| 233 | E | 85.2 | Confident | 83.5 | Confident | 114 Ų | 114 | 106.7 Ų | 106.7 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -49.3 | 169.4 | -69.4 | -177.5 | 168.8 | 0 | 0 | 111.9 | L229 A230 K235 Q236 F237 | L229-E233 PolarHBondContact O-N 2.87Å; A230-E233 PolarHBondContact O-N 3.39Å; E233-K235 VanDerWaalsContact C-N 3.28Å; E233-K235 PolarHBondContact O-N 3.33Å; E233-Q236 CarbonylContact O-C 3.56Å; E233-Q236 PolarHBondContact O-N 3.43Å; E233-F237 HydrophobicContact CB-CD2 4.47Å; E233-F237 HydrophobicContact CB-CE2 4.25Å; E233-F237 WeakPolarHBondContact O-CD2 3.33Å; E233-F237 PolarHBondContact O-N 2.89Å |
| 234 | E | 83.1 | Confident | 84 | Confident | 128 Ų | 128 | 108.1 Ų | 108.1 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -48.8 | -51.5 | 172.4 | 176.5 | -173.1 | -157.2 | 0 | 0 | 110.7 | A230 Q236 F237 D238 | A230-E234 VanDerWaalsContact O-CB 3.32Å; A230-E234 WeakPolarHBondContact O-CB 3.41Å; A230-E234 PolarHBondContact O-N 3.42Å; E234-Q236 PolarHBondContact O-N 2.83Å; E234-F237 PolarHBondContact O-N 3.03Å; E234-D238 PolarHBondContact O-N 3.14Å |
| 235 | K | 83 | Confident | 84.4 | Confident | 135 Ų | 135 | 110.8 Ų | 110.8 | 59% | 0.587 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.5 | -37.7 | 178.8 | -170.9 | -178.9 | 177.3 | -164.6 | 0 | 112.7 | K231 E233 D238 E239 | K231-K235 WeakPolarHBondContact O-CB 3.22Å; K231-K235 PolarHBondContact O-N 3.06Å; E233-K235 VanDerWaalsContact C-N 3.28Å; E233-K235 PolarHBondContact O-N 3.33Å; K235-D238 PolarHBondContact O-N 3.27Å; K235-E239 VanDerWaalsContact O-CB 3.28Å; K235-E239 WeakPolarHBondContact O-CB 3.35Å; K235-E239 PolarHBondContact O-N 2.88Å |
| 236 | Q | 84.8 | Confident | 84.8 | Confident | 106 Ų | 106 | 112 Ų | 112 | 50% | 0.495 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 176.1 | -176.9 | 174.8 | 103.6 | 0 | 0 | 112 | N232 E233 E234 H240 | N232-Q236 VanDerWaalsContact O-CB 3.22Å; N232-Q236 WeakPolarHBondContact O-CB 3.28Å; N232-Q236 PolarHBondContact O-N 2.91Å; E233-Q236 CarbonylContact O-C 3.56Å; E233-Q236 PolarHBondContact O-N 3.43Å; E234-Q236 PolarHBondContact O-N 2.83Å; Q236-H240 PolarHBondContact O-N 3.27Å; Q236-H240 PolarHBondContact O-ND1 3.03Å |
| 237 | F | 85.3 | Confident | 85.1 | Confident | 133 Ų | 133 | 108.5 Ų | 108.5 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.4 | -39.4 | 173.3 | -72.9 | -58.8 | 0 | 0 | 0 | 112.2 | E233 E234 E239 H240 L241 | E233-F237 HydrophobicContact CB-CD2 4.47Å; E233-F237 HydrophobicContact CB-CE2 4.25Å; E233-F237 WeakPolarHBondContact O-CD2 3.33Å; E233-F237 PolarHBondContact O-N 2.89Å; E234-F237 PolarHBondContact O-N 3.03Å; F237-E239 VanDerWaalsContact C-N 3.35Å; F237-H240 PolarHBondContact O-N 3.48Å; F237-L241 WeakPolarHBondContact O-CG 3.49Å; F237-L241 PolarHBondContact O-N 3.08Å |
| 238 | D | 86.9 | Confident | 85.4 | Confident | 96 Ų | 96 | 106.1 Ų | 106.1 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 175.4 | -161.8 | 57.9 | 0 | 0 | 0 | 111.7 | E234 K235 L241 Q242 | E234-D238 PolarHBondContact O-N 3.14Å; K235-D238 PolarHBondContact O-N 3.27Å; D238-L241 PolarHBondContact O-N 3.34Å; D238-Q242 WeakPolarHBondContact O-CG 3.32Å; D238-Q242 PolarHBondContact O-N 3.14Å |
| 239 | E | 84.2 | Confident | 85.6 | Confident | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 172.7 | -163.8 | 157.6 | -120.2 | 0 | 0 | 111.7 | K235 F237 Q242 E243 | K235-E239 VanDerWaalsContact O-CB 3.28Å; K235-E239 WeakPolarHBondContact O-CB 3.35Å; K235-E239 PolarHBondContact O-N 2.88Å; F237-E239 VanDerWaalsContact C-N 3.35Å; E239-Q242 PolarHBondContact O-N 3.05Å; E239-E243 PolarHBondContact O-N 3.04Å |
| 240 | H | 87.3 | Confident | 85.8 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 170.3 | -83.4 | 76.2 | 0 | 0 | 0 | 112.7 | Q236 F237 E243 L244 | Q236-H240 PolarHBondContact O-N 3.27Å; Q236-H240 PolarHBondContact O-ND1 3.03Å; F237-H240 PolarHBondContact O-N 3.48Å; H240-E243 PolarHBondContact O-N 3.48Å; H240-L244 WeakPolarHBondContact O-CB 3.47Å; H240-L244 PolarHBondContact O-N 3.4Å |
| 241 | L | 86.6 | Confident | 86.2 | Confident | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 176.8 | -79.9 | 167.8 | 0 | 0 | 0 | 111.8 | F237 D238 T245 | F237-L241 WeakPolarHBondContact O-CG 3.49Å; F237-L241 PolarHBondContact O-N 3.08Å; D238-L241 PolarHBondContact O-N 3.34Å; L241-T245 WeakPolarHBondContact O-CB 3.36Å; L241-T245 PolarHBondContact O-N 3.33Å; L241-T245 PolarHBondContact O-OG1 2.9Å |
| 242 | Q | 86.8 | Confident | 86.6 | Confident | 90 Ų | 90 | 101.1 Ų | 101.1 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 170.9 | -71.3 | -175.8 | 39.2 | 0 | 0 | 112.2 | D238 E239 T245 R246 | D238-Q242 WeakPolarHBondContact O-CG 3.32Å; D238-Q242 PolarHBondContact O-N 3.14Å; E239-Q242 PolarHBondContact O-N 3.05Å; Q242-T245 PolarHBondContact O-N 3Å; Q242-R246 VanDerWaalsContact O-CG 3.32Å; Q242-R246 WeakPolarHBondContact O-CG 3.5Å; Q242-R246 PolarHBondContact O-N 3.01Å |
| 243 | E | 86.1 | Confident | 86.9 | Confident | 124 Ų | 124 | 100 Ų | 100 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.6 | -46.4 | 177 | -173.2 | 163.8 | -133.2 | 0 | 0 | 112 | E239 H240 T245 R246 D247 | E239-E243 PolarHBondContact O-N 3.04Å; H240-E243 PolarHBondContact O-N 3.48Å; E243-T245 PolarHBondContact O-N 2.99Å; E243-R246 WeakPolarHBondContact O-CB 3.37Å; E243-R246 PolarHBondContact O-N 3.32Å; E243-R246 VanDerWaalsContact O-N 3.1Å; E243-D247 WeakPolarHBondContact O-CB 3.37Å; E243-D247 PolarHBondContact O-N 3.45Å |
| 244 | L | 88.2 | Confident | 87.2 | Confident | 120 Ų | 120 | 98.1 Ų | 98.1 | 63% | 0.628 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.1 | -34.3 | 175.3 | -159.6 | 76.2 | 0 | 0 | 0 | 111.9 | H240 G248 | H240-L244 WeakPolarHBondContact O-CB 3.47Å; H240-L244 PolarHBondContact O-N 3.4Å; L244-G248 PolarHBondContact O-N 3.34Å |
| 245 | T | 89 | Confident | 87.6 | Confident | 100 Ų | 100 | 96.4 Ų | 96.4 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.4 | -41.7 | 173.9 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | L241 Q242 E243 G248 S249 | L241-T245 WeakPolarHBondContact O-CB 3.36Å; L241-T245 PolarHBondContact O-N 3.33Å; L241-T245 PolarHBondContact O-OG1 2.9Å; Q242-T245 PolarHBondContact O-N 3Å; E243-T245 PolarHBondContact O-N 2.99Å; T245-G248 PolarHBondContact O-N 3.47Å; T245-S249 PolarHBondContact O-N 2.91Å; T245-S249 PolarHBondContact O-OG 2.97Å |
| 246 | R | 86.8 | Confident | 88.1 | Confident | 148 Ų | 148 | 93.8 Ų | 93.8 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.2 | -46 | 175 | -73 | 170.9 | -171.8 | 128.8 | 12.2 | 111.3 | Q242 E243 G248 S249 A250 | Q242-R246 VanDerWaalsContact O-CG 3.32Å; Q242-R246 WeakPolarHBondContact O-CG 3.5Å; Q242-R246 PolarHBondContact O-N 3.01Å; E243-R246 WeakPolarHBondContact O-CB 3.37Å; E243-R246 PolarHBondContact O-N 3.32Å; E243-R246 VanDerWaalsContact O-N 3.1Å; R246-G248 VanDerWaalsContact C-N 3.34Å; R246-G248 PolarHBondContact O-N 2.99Å; R246-S249 PolarHBondContact O-N 3.48Å; R246-S249 PolarHBondContact O-OG 3.15Å; R246-A250 WeakPolarHBondContact O-CB 3.5Å; R246-A250 PolarHBondContact O-N 3.32Å |
| 247 | D | 87.8 | Confident | 88.3 | Confident | 63 Ų | 63 | 95.2 Ų | 95.2 | 34% | 0.337 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 174.3 | 175.1 | 52.8 | 0 | 0 | 0 | 111.9 | E243 S249 A250 K251 | E243-D247 WeakPolarHBondContact O-CB 3.37Å; E243-D247 PolarHBondContact O-N 3.45Å; D247-S249 PolarHBondContact O-N 2.96Å; D247-A250 PolarHBondContact O-N 3.07Å; D247-K251 VanDerWaalsContact CG-NZ 3.32Å; D247-K251 WeakPolarHBondContact O-CB 3.41Å; D247-K251 WeakPolarHBondContact O-CG 3.25Å; D247-K251 PolarHBondContact O-N 3.13Å; D247-K251 WeakPolarHBondContact OD1-CE 3.06Å; D247-K251 IonicContact OD1-NZ 2.64Å; D247-K251 PolarHBondContact OD1-NZ 3.43Å; D247-K251 WeakPolarHBondContact OD2-CE 3.48Å; D247-K251 IonicContact OD2-NZ 3.82Å; D247-K251 PolarHBondContact OD2-NZ 2.64Å |
| 248 | G | 88.7 | Confident | 88.6 | Confident | 32 Ų | 32 | 94.5 Ų | 94.5 | 33% | 0.33 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L244 T245 R246 T252 | L244-G248 PolarHBondContact O-N 3.34Å; T245-G248 PolarHBondContact O-N 3.47Å; R246-G248 VanDerWaalsContact C-N 3.34Å; R246-G248 PolarHBondContact O-N 2.99Å; G248-T252 PolarHBondContact O-N 3.17Å; G248-T252 PolarHBondContact O-OG1 3.17Å |
| 249 | S | 90.3 | Very high | 88.9 | Confident | 63 Ų | 63 | 96.1 Ų | 96.1 | 44% | 0.441 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 173 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | T245 R246 D247 K251 T252 D253 | T245-S249 PolarHBondContact O-N 2.91Å; T245-S249 PolarHBondContact O-OG 2.97Å; R246-S249 PolarHBondContact O-N 3.48Å; R246-S249 PolarHBondContact O-OG 3.15Å; D247-S249 PolarHBondContact O-N 2.96Å; S249-K251 VanDerWaalsContact C-N 3.3Å; S249-K251 PolarHBondContact O-N 3Å; S249-T252 WeakPolarHBondContact O-CA 3.34Å; S249-T252 WeakPolarHBondContact O-CB 3.48Å; S249-T252 PolarHBondContact O-N 2.66Å; S249-D253 PolarHBondContact O-N 3.03Å |
| 250 | A | 88 | Confident | 89.3 | Confident | 47 Ų | 47 | 96.2 Ų | 96.2 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R246 D247 D253 T254 | R246-A250 WeakPolarHBondContact O-CB 3.5Å; R246-A250 PolarHBondContact O-N 3.32Å; D247-A250 PolarHBondContact O-N 3.07Å; A250-D253 PolarHBondContact O-N 3.49Å; A250-T254 WeakPolarHBondContact O-CG2 3.45Å; A250-T254 PolarHBondContact O-N 3.33Å; A250-T254 PolarHBondContact O-OG1 3.07Å |
| 251 | K | 88.8 | Confident | 89.6 | Confident | 113 Ų | 113 | 96.3 Ų | 96.3 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.3 | -34.1 | 172.8 | -75.1 | 167.9 | 175.7 | 165.6 | 0 | 113 | D247 S249 T254 I255 | D247-K251 VanDerWaalsContact CG-NZ 3.32Å; D247-K251 WeakPolarHBondContact O-CB 3.41Å; D247-K251 WeakPolarHBondContact O-CG 3.25Å; D247-K251 PolarHBondContact O-N 3.13Å; D247-K251 WeakPolarHBondContact OD1-CE 3.06Å; D247-K251 IonicContact OD1-NZ 2.64Å; D247-K251 PolarHBondContact OD1-NZ 3.43Å; D247-K251 WeakPolarHBondContact OD2-CE 3.48Å; D247-K251 IonicContact OD2-NZ 3.82Å; D247-K251 PolarHBondContact OD2-NZ 2.64Å; S249-K251 VanDerWaalsContact C-N 3.3Å; S249-K251 PolarHBondContact O-N 3Å; K251-T254 WeakPolarHBondContact CA-OG1 3.48Å; K251-T254 PolarHBondContact O-OG1 3.44Å; K251-T254 VanDerWaalsContact O-OG1 3.05Å; K251-I255 WeakPolarHBondContact O-CD1 3.33Å; K251-I255 VanDerWaalsContact O-CG1 3.25Å; K251-I255 WeakPolarHBondContact O-CG1 3.37Å; K251-I255 PolarHBondContact O-N 2.92Å; K251-I255 VanDerWaalsContact O-N 3.14Å |
| 252 | T | 89 | Confident | 90 | Very high | 76 Ų | 76 | 96 Ų | 96 | 47% | 0.466 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 173.2 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | G248 S249 I255 N256 | G248-T252 PolarHBondContact O-N 3.17Å; G248-T252 PolarHBondContact O-OG1 3.17Å; S249-T252 WeakPolarHBondContact O-CA 3.34Å; S249-T252 WeakPolarHBondContact O-CB 3.48Å; S249-T252 PolarHBondContact O-N 2.66Å; T252-I255 PolarHBondContact O-N 2.84Å; T252-N256 PolarHBondContact O-N 2.76Å; T252-N256 PolarHBondContact O-ND2 3.19Å |
| 253 | D | 89.5 | Confident | 90.3 | Very high | 77 Ų | 77 | 95.2 Ų | 95.2 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.4 | -36.7 | 178.3 | -70.2 | -17.8 | 0 | 0 | 0 | 113 | S249 A250 N256 R257 | S249-D253 PolarHBondContact O-N 3.03Å; A250-D253 PolarHBondContact O-N 3.49Å; D253-N256 PolarHBondContact O-N 3.37Å; D253-R257 WeakPolarHBondContact O-CG 3.44Å; D253-R257 PolarHBondContact O-N 3.09Å; D253-R257 PolarHBondContact O-NE 2.96Å |
| 254 | T | 90.1 | Very high | 90.6 | Very high | 75 Ų | 75 | 94 Ų | 94 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 173.4 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | A250 K251 N256 R257 L258 | A250-T254 WeakPolarHBondContact O-CG2 3.45Å; A250-T254 PolarHBondContact O-N 3.33Å; A250-T254 PolarHBondContact O-OG1 3.07Å; K251-T254 WeakPolarHBondContact CA-OG1 3.48Å; K251-T254 PolarHBondContact O-OG1 3.44Å; K251-T254 VanDerWaalsContact O-OG1 3.05Å; T254-N256 VanDerWaalsContact C-N 3.34Å; T254-N256 PolarHBondContact O-N 2.9Å; T254-R257 PolarHBondContact O-N 3.13Å; T254-L258 WeakPolarHBondContact O-CB 3.46Å; T254-L258 PolarHBondContact O-N 3.38Å |
| 255 | I | 93.1 | Very high | 90.9 | Very high | 93 Ų | 93 | 92.4 Ų | 92.4 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 173.4 | -71.3 | 165.8 | 0 | 0 | 0 | 111.4 | K251 T252 L258 K259 | K251-I255 WeakPolarHBondContact O-CD1 3.33Å; K251-I255 VanDerWaalsContact O-CG1 3.25Å; K251-I255 WeakPolarHBondContact O-CG1 3.37Å; K251-I255 PolarHBondContact O-N 2.92Å; K251-I255 VanDerWaalsContact O-N 3.14Å; T252-I255 PolarHBondContact O-N 2.84Å; I255-L258 PolarHBondContact O-N 3.27Å; I255-K259 WeakPolarHBondContact O-CG 3.46Å; I255-K259 PolarHBondContact O-N 3.44Å; I255-K259 VanDerWaalsContact O-N 3.08Å |
| 256 | N | 91.9 | Very high | 91.1 | Very high | 80 Ų | 80 | 95.9 Ų | 95.9 | 43% | 0.428 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.1 | -46.5 | 177.9 | -71.1 | -27.1 | 0 | 0 | 0 | 111.9 | T252 D253 T254 L258 K259 E260 | T252-N256 PolarHBondContact O-N 2.76Å; T252-N256 PolarHBondContact O-ND2 3.19Å; D253-N256 PolarHBondContact O-N 3.37Å; T254-N256 VanDerWaalsContact C-N 3.34Å; T254-N256 PolarHBondContact O-N 2.9Å; N256-L258 PolarHBondContact O-N 3.38Å; N256-K259 PolarHBondContact O-N 3.38Å; N256-K259 VanDerWaalsContact O-N 3.14Å; N256-E260 PolarHBondContact O-N 2.8Å |
| 257 | R | 90.4 | Very high | 91.5 | Very high | 135 Ų | 135 | 96 Ų | 96 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.7 | -34.2 | 171.7 | -74.3 | -177.6 | -73.1 | -96 | -1.4 | 112.6 | D253 T254 K261 | D253-R257 WeakPolarHBondContact O-CG 3.44Å; D253-R257 PolarHBondContact O-N 3.09Å; D253-R257 PolarHBondContact O-NE 2.96Å; T254-R257 PolarHBondContact O-N 3.13Å; R257-K261 WeakPolarHBondContact O-CB 3.33Å; R257-K261 PolarHBondContact O-N 3.21Å |
| 258 | L | 91.5 | Very high | 91.8 | Very high | 119 Ų | 119 | 99.2 Ų | 99.2 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.5 | -39.2 | 177.2 | -160.9 | 73.5 | 0 | 0 | 0 | 112.1 | T254 I255 N256 K261 V262 | T254-L258 WeakPolarHBondContact O-CB 3.46Å; T254-L258 PolarHBondContact O-N 3.38Å; I255-L258 PolarHBondContact O-N 3.27Å; N256-L258 PolarHBondContact O-N 3.38Å; L258-K261 PolarHBondContact O-N 3.39Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 2.92Å |
| 259 | K | 93.7 | Very high | 92.2 | Very high | 130 Ų | 130 | 102.3 Ų | 102.3 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 174.4 | -72.5 | 171.6 | 179.6 | 173.3 | 0 | 112.4 | I255 N256 V262 S263 | I255-K259 WeakPolarHBondContact O-CG 3.46Å; I255-K259 PolarHBondContact O-N 3.44Å; I255-K259 VanDerWaalsContact O-N 3.08Å; N256-K259 PolarHBondContact O-N 3.38Å; N256-K259 VanDerWaalsContact O-N 3.14Å; K259-V262 PolarHBondContact O-N 3.44Å; K259-S263 PolarHBondContact O-N 2.99Å; K259-S263 PolarHBondContact O-OG 3.18Å |
| 260 | E | 92.2 | Very high | 92.3 | Very high | 127 Ų | 127 | 102.4 Ų | 102.4 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.6 | -49.2 | 174.4 | -173.9 | 169.3 | -133.1 | 0 | 0 | 110.3 | N256 V262 S263 E264 | N256-E260 PolarHBondContact O-N 2.8Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 3.43Å; E260-S263 WeakPolarHBondContact O-CA 3.23Å; E260-S263 WeakPolarHBondContact O-CB 3.27Å; E260-S263 PolarHBondContact O-N 2.9Å; E260-E264 PolarHBondContact O-N 3.44Å |
| 261 | K | 93.8 | Very high | 92.6 | Very high | 110 Ų | 110 | 104 Ų | 104 | 48% | 0.478 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -37.3 | 175.3 | -159.5 | 74.5 | -143.6 | 159 | 0 | 113.6 | R257 L258 S263 E264 L265 | R257-K261 WeakPolarHBondContact O-CB 3.33Å; R257-K261 PolarHBondContact O-N 3.21Å; L258-K261 PolarHBondContact O-N 3.39Å; K261-S263 VanDerWaalsContact C-N 3.31Å; K261-E264 VanDerWaalsContact CD-OE2 3.27Å; K261-E264 WeakPolarHBondContact CD-OE2 3.4Å; K261-E264 VanDerWaalsContact CE-OE2 3.23Å; K261-E264 WeakPolarHBondContact CE-OE2 3.24Å; K261-E264 IonicContact NZ-OE2 2.68Å; K261-E264 PolarHBondContact NZ-OE2 3.21Å; K261-L265 HydrophobicContact CG-CD1 4.43Å; K261-L265 WeakPolarHBondContact O-CB 3.42Å; K261-L265 WeakPolarHBondContact O-CD1 3.26Å; K261-L265 VanDerWaalsContact O-CG 3.26Å; K261-L265 WeakPolarHBondContact O-CG 3.47Å; K261-L265 PolarHBondContact O-N 2.94Å |
| 262 | V | 94.4 | Very high | 92.9 | Very high | 95 Ų | 95 | 104.5 Ų | 104.5 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67 | -32.2 | 173.9 | 167.2 | 0 | 0 | 0 | 0 | 111.9 | L258 K259 E260 Y266 | L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 2.92Å; K259-V262 PolarHBondContact O-N 3.44Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 3.43Å; V262-Y266 PolarHBondContact O-N 3.25Å; V262-Y266 VanDerWaalsContact O-N 3.15Å |
| 263 | S | 92.3 | Very high | 93.2 | Very high | 73 Ų | 73 | 106.6 Ų | 106.6 | 51% | 0.51 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.1 | -45.3 | 176.9 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | K259 E260 K261 L265 Y266 E267 | K259-S263 PolarHBondContact O-N 2.99Å; K259-S263 PolarHBondContact O-OG 3.18Å; E260-S263 WeakPolarHBondContact O-CA 3.23Å; E260-S263 WeakPolarHBondContact O-CB 3.27Å; E260-S263 PolarHBondContact O-N 2.9Å; K261-S263 VanDerWaalsContact C-N 3.31Å; S263-L265 VanDerWaalsContact C-N 3.34Å; S263-L265 PolarHBondContact O-N 3.01Å; S263-Y266 WeakPolarHBondContact O-CB 3.47Å; S263-Y266 PolarHBondContact O-N 3.01Å; S263-Y266 VanDerWaalsContact O-N 3.13Å; S263-E267 PolarHBondContact O-N 3.41Å; S263-E267 VanDerWaalsContact O-N 3.13Å |
| 264 | E | 92.4 | Very high | 93.5 | Very high | 99 Ų | 99 | 107.9 Ų | 107.9 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -55.9 | -47.4 | 172.6 | -68.1 | 179.7 | 139.5 | 0 | 0 | 111.8 | E260 K261 Y266 E267 E268 | E260-E264 PolarHBondContact O-N 3.44Å; K261-E264 VanDerWaalsContact CD-OE2 3.27Å; K261-E264 WeakPolarHBondContact CD-OE2 3.4Å; K261-E264 VanDerWaalsContact CE-OE2 3.23Å; K261-E264 WeakPolarHBondContact CE-OE2 3.24Å; K261-E264 IonicContact NZ-OE2 2.68Å; K261-E264 PolarHBondContact NZ-OE2 3.21Å; E264-Y266 VanDerWaalsContact C-N 3.25Å; E264-Y266 PolarHBondContact O-N 3.44Å; E264-E267 PolarHBondContact O-N 3.25Å; E264-E268 WeakPolarHBondContact O-CB 3.42Å; E264-E268 PolarHBondContact O-N 3.2Å |
| 265 | L | 94.1 | Very high | 93.7 | Very high | 85 Ų | 85 | 107.6 Ų | 107.6 | 45% | 0.445 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -29.8 | 178.5 | -75.4 | 168.3 | 0 | 0 | 0 | 112.8 | K261 S263 V269 | K261-L265 HydrophobicContact CG-CD1 4.43Å; K261-L265 WeakPolarHBondContact O-CB 3.42Å; K261-L265 WeakPolarHBondContact O-CD1 3.26Å; K261-L265 VanDerWaalsContact O-CG 3.26Å; K261-L265 WeakPolarHBondContact O-CG 3.47Å; K261-L265 PolarHBondContact O-N 2.94Å; S263-L265 VanDerWaalsContact C-N 3.34Å; S263-L265 PolarHBondContact O-N 3.01Å; L265-V269 WeakPolarHBondContact O-CB 3.43Å; L265-V269 VanDerWaalsContact O-CG2 3.24Å; L265-V269 WeakPolarHBondContact O-CG2 3.23Å; L265-V269 PolarHBondContact O-N 3.44Å |
| 266 | Y | 95.1 | Very high | 93.8 | Very high | 174 Ų | 174 | 109.1 Ų | 109.1 | 68% | 0.682 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.2 | -44 | 175.8 | -170.3 | -92 | 0 | 0 | 0 | 111.5 | V262 S263 E264 V269 E270 | V262-Y266 PolarHBondContact O-N 3.25Å; V262-Y266 VanDerWaalsContact O-N 3.15Å; S263-Y266 WeakPolarHBondContact O-CB 3.47Å; S263-Y266 PolarHBondContact O-N 3.01Å; S263-Y266 VanDerWaalsContact O-N 3.13Å; E264-Y266 VanDerWaalsContact C-N 3.25Å; E264-Y266 PolarHBondContact O-N 3.44Å; Y266-V269 PolarHBondContact O-N 3.47Å; Y266-E270 WeakPolarHBondContact O-CB 3.46Å; Y266-E270 PolarHBondContact O-N 3.01Å |
| 267 | E | 94.4 | Very high | 94 | Very high | 151 Ų | 151 | 108.5 Ų | 108.5 | 71% | 0.706 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.9 | -37.8 | 174.2 | -67.4 | -165.7 | 164.5 | 0 | 0 | 112.3 | S263 E264 E270 S271 | S263-E267 PolarHBondContact O-N 3.41Å; S263-E267 VanDerWaalsContact O-N 3.13Å; E264-E267 PolarHBondContact O-N 3.25Å; E267-E270 PolarHBondContact O-N 3.12Å; E267-S271 VanDerWaalsContact O-CB 3.23Å; E267-S271 WeakPolarHBondContact O-CB 3.4Å; E267-S271 PolarHBondContact O-N 2.65Å |
| 268 | E | 94.9 | Very high | 94.2 | Very high | 130 Ų | 130 | 108.8 Ų | 108.8 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 176.2 | -173.6 | 172 | -152.9 | 0 | 0 | 111.9 | E264 S271 L272 | E264-E268 WeakPolarHBondContact O-CB 3.42Å; E264-E268 PolarHBondContact O-N 3.2Å; E268-S271 PolarHBondContact O-N 2.97Å; E268-L272 WeakPolarHBondContact O-CB 3.47Å; E268-L272 PolarHBondContact O-N 3.03Å |
| 269 | V | 95.2 | Very high | 94.4 | Very high | 97 Ų | 97 | 105.7 Ų | 105.7 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 175 | 166.5 | 0 | 0 | 0 | 0 | 111.6 | L265 Y266 L272 R273 | L265-V269 WeakPolarHBondContact O-CB 3.43Å; L265-V269 VanDerWaalsContact O-CG2 3.24Å; L265-V269 WeakPolarHBondContact O-CG2 3.23Å; L265-V269 PolarHBondContact O-N 3.44Å; Y266-V269 PolarHBondContact O-N 3.47Å; V269-L272 PolarHBondContact O-N 3.07Å; V269-R273 WeakPolarHBondContact O-CB 3.37Å; V269-R273 PolarHBondContact O-N 3.08Å |
| 270 | E | 94.1 | Very high | 94.5 | Very high | 64 Ų | 64 | 102.2 Ų | 102.2 | 30% | 0.299 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.8 | -33.7 | -179.4 | -173.8 | 61.8 | -174.3 | 0 | 0 | 112.4 | Y266 E267 R273 H274 | Y266-E270 WeakPolarHBondContact O-CB 3.46Å; Y266-E270 PolarHBondContact O-N 3.01Å; E267-E270 PolarHBondContact O-N 3.12Å; E270-R273 VanDerWaalsContact CD-NE 3.31Å; E270-R273 WeakPolarHBondContact O-CB 3.36Å; E270-R273 PolarHBondContact O-N 3.44Å; E270-R273 IonicContact OE1-CZ 3.71Å; E270-R273 IonicContact OE1-NE 3.02Å; E270-R273 PolarHBondContact OE1-NE 3.37Å; E270-R273 IonicContact OE1-NH2 3.21Å; E270-R273 PolarHBondContact OE1-NH2 2.94Å; E270-R273 WeakPolarHBondContact OE2-CD 3.35Å; E270-R273 IonicContact OE2-CZ 2.64Å; E270-R273 IonicContact OE2-NE 3.32Å; E270-R273 PolarHBondContact OE2-NE 3.03Å; E270-R273 IonicContact OE2-NH2 3.22Å; E270-H274 PolarHBondContact O-N 3.36Å; E270-H274 VanDerWaalsContact O-N 3.09Å; E270-H274 PolarHBondContact O-ND1 2.79Å; E270-H274 IonicContact OE1-CE1 3.9Å; E270-H274 PolarHBondContact OE1-CE1 3.32Å; E270-H274 IonicContact OE1-ND1 2.83Å |
| 271 | S | 94.3 | Very high | 94.6 | Very high | 82 Ų | 82 | 102.6 Ų | 102.6 | 57% | 0.573 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -47.1 | 169.1 | -179 | 0 | 0 | 0 | 0 | 111.4 | E267 E268 R273 H274 S275 | E267-S271 VanDerWaalsContact O-CB 3.23Å; E267-S271 WeakPolarHBondContact O-CB 3.4Å; E267-S271 PolarHBondContact O-N 2.65Å; E268-S271 PolarHBondContact O-N 2.97Å; S271-R273 VanDerWaalsContact C-N 3.3Å; S271-R273 PolarHBondContact O-N 3.3Å; S271-H274 PolarHBondContact O-N 2.97Å; S271-S275 PolarHBondContact O-N 3.03Å |
| 272 | L | 95 | Very high | 94.7 | Very high | 122 Ų | 122 | 103.2 Ų | 103.2 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -37.9 | 175.7 | -171.7 | 65.7 | 0 | 0 | 0 | 111.8 | E268 V269 S275 H276 | E268-L272 WeakPolarHBondContact O-CB 3.47Å; E268-L272 PolarHBondContact O-N 3.03Å; V269-L272 PolarHBondContact O-N 3.07Å; L272-S275 PolarHBondContact O-N 3.33Å; L272-H276 WeakPolarHBondContact O-CB 3.4Å; L272-H276 PolarHBondContact O-N 3.23Å |
| 273 | R | 95.5 | Very high | 94.8 | Very high | 120 Ų | 120 | 105.5 Ų | 105.5 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.4 | -165.9 | -172.1 | 69.3 | 69.5 | 0.9 | 112 | V269 E270 S271 Q277 | V269-R273 WeakPolarHBondContact O-CB 3.37Å; V269-R273 PolarHBondContact O-N 3.08Å; E270-R273 VanDerWaalsContact CD-NE 3.31Å; E270-R273 WeakPolarHBondContact O-CB 3.36Å; E270-R273 PolarHBondContact O-N 3.44Å; E270-R273 IonicContact OE1-CZ 3.71Å; E270-R273 IonicContact OE1-NE 3.02Å; E270-R273 PolarHBondContact OE1-NE 3.37Å; E270-R273 IonicContact OE1-NH2 3.21Å; E270-R273 PolarHBondContact OE1-NH2 2.94Å; E270-R273 WeakPolarHBondContact OE2-CD 3.35Å; E270-R273 IonicContact OE2-CZ 2.64Å; E270-R273 IonicContact OE2-NE 3.32Å; E270-R273 PolarHBondContact OE2-NE 3.03Å; E270-R273 IonicContact OE2-NH2 3.22Å; S271-R273 VanDerWaalsContact C-N 3.3Å; S271-R273 PolarHBondContact O-N 3.3Å; R273-Q277 WeakPolarHBondContact O-CB 3.13Å; R273-Q277 PolarHBondContact O-N 3.26Å |
| 274 | H | 95 | Very high | 95 | Very high | 104 Ų | 104 | 107.8 Ų | 107.8 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 176.6 | -76 | 93 | 0 | 0 | 0 | 112.3 | E270 S271 Q277 Q278 | E270-H274 PolarHBondContact O-N 3.36Å; E270-H274 VanDerWaalsContact O-N 3.09Å; E270-H274 PolarHBondContact O-ND1 2.79Å; E270-H274 IonicContact OE1-CE1 3.9Å; E270-H274 PolarHBondContact OE1-CE1 3.32Å; E270-H274 IonicContact OE1-ND1 2.83Å; S271-H274 PolarHBondContact O-N 2.97Å; H274-Q277 PolarHBondContact O-N 2.65Å; H274-Q278 PolarHBondContact O-N 3.36Å |
| 275 | S | 94.1 | Very high | 95.2 | Very high | 69 Ų | 69 | 106.6 Ų | 106.6 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 112 | S271 L272 Q277 Q278 A279 | S271-S275 PolarHBondContact O-N 3.03Å; L272-S275 PolarHBondContact O-N 3.33Å; S275-Q277 PolarHBondContact O-N 3.38Å; S275-Q278 WeakPolarHBondContact O-CB 3.47Å; S275-Q278 PolarHBondContact O-N 2.71Å; S275-A279 PolarHBondContact O-N 2.88Å |
| 276 | H | 95 | Very high | 95.2 | Very high | 126 Ų | 126 | 106 Ų | 106 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 175.3 | -175.7 | 64 | 0 | 0 | 0 | 112.2 | L272 Q278 A279 I280 | L272-H276 WeakPolarHBondContact O-CB 3.4Å; L272-H276 PolarHBondContact O-N 3.23Å; H276-Q278 VanDerWaalsContact C-N 3.33Å; H276-Q278 PolarHBondContact O-N 3.36Å; H276-A279 PolarHBondContact O-N 3.36Å; H276-I280 WeakPolarHBondContact O-CG1 3.38Å; H276-I280 PolarHBondContact O-N 3.33Å |
| 277 | Q | 96.1 | Very high | 95.3 | Very high | 66 Ų | 66 | 102 Ų | 102 | 31% | 0.308 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 176.6 | -176.9 | 57 | 85.7 | 0 | 0 | 112.5 | R273 H274 S275 I280 Y281 | R273-Q277 WeakPolarHBondContact O-CB 3.13Å; R273-Q277 PolarHBondContact O-N 3.26Å; H274-Q277 PolarHBondContact O-N 2.65Å; S275-Q277 PolarHBondContact O-N 3.38Å; Q277-I280 PolarHBondContact O-N 2.99Å; Q277-Y281 HydrophobicContact CG-CD2 4.28Å; Q277-Y281 HydrophobicContact CG-CE2 3.68Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.42Å; Q277-Y281 PolarHBondContact O-N 3.1Å |
| 278 | Q | 95.3 | Very high | 95.3 | Very high | 142 Ų | 142 | 100.7 Ų | 100.7 | 66% | 0.664 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.4 | -43.1 | 173.2 | -169.2 | 178.8 | 23.7 | 0 | 0 | 111.7 | H274 S275 H276 I280 Y281 H282 | H274-Q278 PolarHBondContact O-N 3.36Å; S275-Q278 WeakPolarHBondContact O-CB 3.47Å; S275-Q278 PolarHBondContact O-N 2.71Å; H276-Q278 VanDerWaalsContact C-N 3.33Å; H276-Q278 PolarHBondContact O-N 3.36Å; Q278-I280 VanDerWaalsContact C-N 3.35Å; Q278-I280 PolarHBondContact O-N 3.49Å; Q278-Y281 PolarHBondContact O-N 3.27Å; Q278-H282 PolarHBondContact O-N 2.88Å |
| 279 | A | 94.9 | Very high | 95.3 | Very high | 54 Ų | 54 | 100.2 Ų | 100.2 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S275 H276 Y281 H282 Q283 | S275-A279 PolarHBondContact O-N 2.88Å; H276-A279 PolarHBondContact O-N 3.36Å; A279-Y281 VanDerWaalsContact C-N 3.33Å; A279-Y281 PolarHBondContact O-N 3.09Å; A279-H282 PolarHBondContact O-N 3.48Å; A279-Q283 PolarHBondContact O-N 3.11Å |
| 280 | I | 96.4 | Very high | 95.4 | Very high | 57 Ų | 57 | 99.6 Ų | 99.6 | 29% | 0.292 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 174.2 | -68 | 172.1 | 0 | 0 | 0 | 111.7 | H276 Q277 Q278 K284 | H276-I280 WeakPolarHBondContact O-CG1 3.38Å; H276-I280 PolarHBondContact O-N 3.33Å; Q277-I280 PolarHBondContact O-N 2.99Å; Q278-I280 VanDerWaalsContact C-N 3.35Å; Q278-I280 PolarHBondContact O-N 3.49Å; I280-K284 HydrophobicContact CG2-CD 4.42Å; I280-K284 WeakPolarHBondContact O-CG 3.41Å; I280-K284 PolarHBondContact O-N 3.08Å; I280-K284 VanDerWaalsContact O-N 3.12Å |
| 281 | Y | 95.2 | Very high | 95.5 | Very high | 135 Ų | 135 | 99.5 Ų | 99.5 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 176.2 | -69.8 | -52.6 | 0 | 0 | 0 | 111.4 | Q277 Q278 A279 Q283 K284 D285 | Q277-Y281 HydrophobicContact CG-CD2 4.28Å; Q277-Y281 HydrophobicContact CG-CE2 3.68Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.42Å; Q277-Y281 PolarHBondContact O-N 3.1Å; Q278-Y281 PolarHBondContact O-N 3.27Å; A279-Y281 VanDerWaalsContact C-N 3.33Å; A279-Y281 PolarHBondContact O-N 3.09Å; Y281-Q283 VanDerWaalsContact C-N 3.33Å; Y281-Q283 PolarHBondContact O-N 3.04Å; Y281-K284 WeakPolarHBondContact O-CB 3.44Å; Y281-K284 PolarHBondContact O-N 3.15Å; Y281-K284 VanDerWaalsContact O-N 3.08Å; Y281-D285 PolarHBondContact O-N 2.96Å; Y281-D285 VanDerWaalsContact O-N 3.07Å |
| 282 | H | 95.6 | Very high | 95.5 | Very high | 122 Ų | 122 | 100.1 Ų | 100.1 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | 178.2 | -170.2 | 48.5 | 0 | 0 | 0 | 112.4 | Q278 A279 K284 D285 L286 | Q278-H282 PolarHBondContact O-N 2.88Å; A279-H282 PolarHBondContact O-N 3.48Å; H282-K284 VanDerWaalsContact C-N 3.33Å; H282-K284 PolarHBondContact O-N 3.06Å; H282-D285 PolarHBondContact O-N 3.27Å; H282-L286 WeakPolarHBondContact O-CG 3.44Å; H282-L286 PolarHBondContact O-N 3.44Å |
| 283 | Q | 96.3 | Very high | 95.6 | Very high | 143 Ų | 143 | 99.9 Ų | 99.9 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.7 | -32.1 | 175.5 | -173.1 | 166.1 | -0.8 | 0 | 0 | 113 | A279 Y281 D285 Q287 | A279-Q283 PolarHBondContact O-N 3.11Å; Y281-Q283 VanDerWaalsContact C-N 3.33Å; Y281-Q283 PolarHBondContact O-N 3.04Å; Q283-D285 VanDerWaalsContact C-N 3.34Å; Q283-Q287 WeakPolarHBondContact O-CB 3.42Å; Q283-Q287 PolarHBondContact O-N 3.29Å |
| 284 | K | 96 | Very high | 95.6 | Very high | 122 Ų | 122 | 98 Ų | 98 | 53% | 0.53 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 172.5 | -77.3 | 176.5 | 179.8 | -179.9 | 0 | 112.5 | I280 Y281 H282 K288 | I280-K284 HydrophobicContact CG2-CD 4.42Å; I280-K284 WeakPolarHBondContact O-CG 3.41Å; I280-K284 PolarHBondContact O-N 3.08Å; I280-K284 VanDerWaalsContact O-N 3.12Å; Y281-K284 WeakPolarHBondContact O-CB 3.44Å; Y281-K284 PolarHBondContact O-N 3.15Å; Y281-K284 VanDerWaalsContact O-N 3.08Å; H282-K284 VanDerWaalsContact C-N 3.33Å; H282-K284 PolarHBondContact O-N 3.06Å; K284-K288 WeakPolarHBondContact O-CG 3.35Å; K284-K288 PolarHBondContact O-N 3.14Å |
| 285 | D | 95.9 | Very high | 95.7 | Very high | 74 Ų | 74 | 97.4 Ų | 97.4 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -76.6 | -42.7 | 177.2 | -68 | -31.7 | 0 | 0 | 0 | 111.8 | Y281 H282 Q283 Q287 K288 E289 | Y281-D285 PolarHBondContact O-N 2.96Å; Y281-D285 VanDerWaalsContact O-N 3.07Å; H282-D285 PolarHBondContact O-N 3.27Å; Q283-D285 VanDerWaalsContact C-N 3.34Å; D285-Q287 PolarHBondContact O-N 2.98Å; D285-K288 WeakPolarHBondContact O-CB 3.28Å; D285-K288 PolarHBondContact O-N 3.33Å; D285-K288 WeakPolarHBondContact OD1-CE 3.28Å; D285-K288 IonicContact OD1-NZ 3.17Å; D285-K288 PolarHBondContact OD1-NZ 2.69Å; D285-E289 PolarHBondContact O-N 2.78Å |
| 286 | L | 94.8 | Very high | 95.8 | Very high | 73 Ų | 73 | 96.4 Ų | 96.4 | 38% | 0.382 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.6 | -36.9 | 170.3 | -69.7 | 171.5 | 0 | 0 | 0 | 112.2 | H282 E289 I290 | H282-L286 WeakPolarHBondContact O-CG 3.44Å; H282-L286 PolarHBondContact O-N 3.44Å; L286-E289 PolarHBondContact O-N 3.07Å; L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.41Å; L286-I290 PolarHBondContact O-N 3.36Å |
| 287 | Q | 96.6 | Very high | 95.8 | Very high | 89 Ų | 89 | 97.2 Ų | 97.2 | 42% | 0.416 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 174.5 | -175.8 | 58.8 | 52.9 | 0 | 0 | 112.3 | Q283 D285 E289 I290 D291 | Q283-Q287 WeakPolarHBondContact O-CB 3.42Å; Q283-Q287 PolarHBondContact O-N 3.29Å; D285-Q287 PolarHBondContact O-N 2.98Å; Q287-E289 VanDerWaalsContact C-N 3.34Å; Q287-E289 PolarHBondContact O-N 3.38Å; Q287-I290 PolarHBondContact O-N 3.42Å; Q287-D291 VanDerWaalsContact NE2-CG 3.34Å; Q287-D291 PolarHBondContact NE2-OD1 2.99Å; Q287-D291 PolarHBondContact NE2-OD2 2.94Å; Q287-D291 PolarHBondContact O-N 3.02Å |
| 288 | K | 95.2 | Very high | 95.8 | Very high | 124 Ų | 124 | 97.6 Ų | 97.6 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 175 | -63.9 | 165.3 | -166.6 | 167.2 | 0 | 111.6 | K284 D285 D291 T292 | K284-K288 WeakPolarHBondContact O-CG 3.35Å; K284-K288 PolarHBondContact O-N 3.14Å; D285-K288 WeakPolarHBondContact O-CB 3.28Å; D285-K288 PolarHBondContact O-N 3.33Å; D285-K288 WeakPolarHBondContact OD1-CE 3.28Å; D285-K288 IonicContact OD1-NZ 3.17Å; D285-K288 PolarHBondContact OD1-NZ 2.69Å; K288-D291 PolarHBondContact O-N 3.45Å; K288-T292 WeakPolarHBondContact O-CB 3.5Å; K288-T292 PolarHBondContact O-N 3.35Å; K288-T292 PolarHBondContact O-OG1 2.9Å |
| 289 | E | 95.9 | Very high | 95.9 | Very high | 120 Ų | 120 | 97.8 Ų | 97.8 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.1 | -46.7 | 176.1 | -69.8 | -177.6 | 178 | 0 | 0 | 111.1 | D285 L286 Q287 D291 T292 L293 | D285-E289 PolarHBondContact O-N 2.78Å; L286-E289 PolarHBondContact O-N 3.07Å; Q287-E289 VanDerWaalsContact C-N 3.34Å; Q287-E289 PolarHBondContact O-N 3.38Å; E289-D291 VanDerWaalsContact C-N 3.31Å; E289-D291 PolarHBondContact O-N 3.38Å; E289-T292 PolarHBondContact O-N 3.38Å; E289-L293 WeakPolarHBondContact O-CB 3.45Å; E289-L293 VanDerWaalsContact O-CG 3.28Å; E289-L293 WeakPolarHBondContact O-CG 3.42Å; E289-L293 PolarHBondContact O-N 3.23Å |
| 290 | I | 96.3 | Very high | 95.9 | Very high | 83 Ų | 83 | 102.6 Ų | 102.6 | 43% | 0.426 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.1 | -44.2 | 174.9 | -72.7 | 166.6 | 0 | 0 | 0 | 111.5 | L286 Q287 L293 K294 | L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.41Å; L286-I290 PolarHBondContact O-N 3.36Å; Q287-I290 PolarHBondContact O-N 3.42Å; I290-L293 PolarHBondContact O-N 3.44Å; I290-K294 WeakPolarHBondContact O-CG 3.07Å; I290-K294 PolarHBondContact O-N 3.31Å; I290-K294 VanDerWaalsContact O-N 3.09Å |
| 291 | D | 96 | Very high | 95.9 | Very high | 63 Ų | 63 | 102.1 Ų | 102.1 | 34% | 0.337 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -73.3 | -34.5 | -180 | -67.6 | -35.9 | 0 | 0 | 0 | 112.6 | Q287 K288 E289 L293 K294 C295 | Q287-D291 VanDerWaalsContact NE2-CG 3.34Å; Q287-D291 PolarHBondContact NE2-OD1 2.99Å; Q287-D291 PolarHBondContact NE2-OD2 2.94Å; Q287-D291 PolarHBondContact O-N 3.02Å; K288-D291 PolarHBondContact O-N 3.45Å; E289-D291 VanDerWaalsContact C-N 3.31Å; E289-D291 PolarHBondContact O-N 3.38Å; D291-L293 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 3.43Å; D291-K294 WeakPolarHBondContact O-CB 3.41Å; D291-K294 PolarHBondContact O-N 3.39Å; D291-K294 WeakPolarHBondContact OD1-CE 3.49Å; D291-K294 IonicContact OD1-NZ 3.66Å; D291-K294 PolarHBondContact OD1-NZ 2.98Å; D291-C295 PolarHBondContact O-N 3.26Å; D291-C295 VanDerWaalsContact O-N 3.1Å; D291-C295 PolarHBondContact O-SG 3.22Å; D291-C295 VanDerWaalsContact O-SG 3.36Å |
| 292 | T | 95 | Very high | 95.9 | Very high | 95 Ų | 95 | 99.8 Ų | 99.8 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 171.6 | -55 | 0 | 0 | 0 | 0 | 111.6 | K288 E289 C295 S296 | K288-T292 WeakPolarHBondContact O-CB 3.5Å; K288-T292 PolarHBondContact O-N 3.35Å; K288-T292 PolarHBondContact O-OG1 2.9Å; E289-T292 PolarHBondContact O-N 3.38Å; T292-C295 PolarHBondContact O-N 3.23Å; T292-S296 PolarHBondContact O-N 3.06Å |
| 293 | L | 95.6 | Very high | 95.9 | Very high | 116 Ų | 116 | 98.5 Ų | 98.5 | 61% | 0.607 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.6 | -31.5 | 175.8 | -71.6 | 169.5 | 0 | 0 | 0 | 113 | E289 I290 D291 S296 R297 | E289-L293 WeakPolarHBondContact O-CB 3.45Å; E289-L293 VanDerWaalsContact O-CG 3.28Å; E289-L293 WeakPolarHBondContact O-CG 3.42Å; E289-L293 PolarHBondContact O-N 3.23Å; I290-L293 PolarHBondContact O-N 3.44Å; D291-L293 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 3.43Å; L293-S296 PolarHBondContact O-OG 2.88Å; L293-S296 VanDerWaalsContact O-OG 3.11Å; L293-R297 WeakPolarHBondContact O-CB 3.39Å; L293-R297 PolarHBondContact O-N 2.9Å; L293-R297 VanDerWaalsContact O-N 3.08Å |
| 294 | K | 96.9 | Very high | 95.8 | Very high | 82 Ų | 82 | 97.1 Ų | 97.1 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 169.7 | -68.5 | 166.7 | -167.5 | 161.2 | 0 | 110.7 | I290 D291 S296 R297 D298 | I290-K294 WeakPolarHBondContact O-CG 3.07Å; I290-K294 PolarHBondContact O-N 3.31Å; I290-K294 VanDerWaalsContact O-N 3.09Å; D291-K294 WeakPolarHBondContact O-CB 3.41Å; D291-K294 PolarHBondContact O-N 3.39Å; D291-K294 WeakPolarHBondContact OD1-CE 3.49Å; D291-K294 IonicContact OD1-NZ 3.66Å; D291-K294 PolarHBondContact OD1-NZ 2.98Å; K294-S296 VanDerWaalsContact C-N 3.32Å; K294-S296 PolarHBondContact O-N 2.95Å; K294-R297 WeakPolarHBondContact O-CB 3.44Å; K294-R297 PolarHBondContact O-N 2.95Å; K294-D298 VanDerWaalsContact O-CG 3.27Å; K294-D298 PolarHBondContact O-N 3.17Å |
| 295 | C | 96.6 | Very high | 95.8 | Very high | 91 Ų | 91 | 98.7 Ų | 98.7 | 62% | 0.615 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.8 | -39.7 | 179.1 | -66.1 | 0 | 0 | 0 | 0 | 112.6 | D291 T292 W299 | D291-C295 PolarHBondContact O-N 3.26Å; D291-C295 VanDerWaalsContact O-N 3.1Å; D291-C295 PolarHBondContact O-SG 3.22Å; D291-C295 VanDerWaalsContact O-SG 3.36Å; T292-C295 PolarHBondContact O-N 3.23Å; C295-W299 WeakPolarHBondContact O-CB 3.35Å; C295-W299 PolarHBondContact O-N 2.97Å |
| 296 | S | 95.6 | Very high | 95.7 | Very high | 48 Ų | 48 | 98.3 Ų | 98.3 | 34% | 0.336 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.7 | -42.4 | 176.7 | 69.6 | 0 | 0 | 0 | 0 | 112.5 | T292 L293 K294 D298 W299 Y300 | T292-S296 PolarHBondContact O-N 3.06Å; L293-S296 PolarHBondContact O-OG 2.88Å; L293-S296 VanDerWaalsContact O-OG 3.11Å; K294-S296 VanDerWaalsContact C-N 3.32Å; K294-S296 PolarHBondContact O-N 2.95Å; S296-D298 VanDerWaalsContact C-N 3.34Å; S296-D298 PolarHBondContact O-N 3.38Å; S296-W299 PolarHBondContact O-N 3.43Å; S296-Y300 WeakPolarHBondContact O-CD2 3.47Å; S296-Y300 PolarHBondContact O-N 3.46Å |
| 297 | R | 96.7 | Very high | 95.7 | Very high | 143 Ų | 143 | 97.4 Ų | 97.4 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -53.6 | -49.1 | 172.2 | 175.9 | -157.7 | 68.8 | -159.6 | -5.4 | 111.7 | L293 K294 Y300 A301 | L293-R297 WeakPolarHBondContact O-CB 3.39Å; L293-R297 PolarHBondContact O-N 2.9Å; L293-R297 VanDerWaalsContact O-N 3.08Å; K294-R297 WeakPolarHBondContact O-CB 3.44Å; K294-R297 PolarHBondContact O-N 2.95Å; R297-Y300 PolarHBondContact O-N 3.41Å; R297-A301 PolarHBondContact O-N 2.98Å |
| 298 | D | 96 | Very high | 95.5 | Very high | 73 Ų | 73 | 97.5 Ų | 97.5 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.8 | -37.9 | -175.2 | -64.5 | -23.7 | 0 | 0 | 0 | 111.3 | K294 S296 A301 D302 | K294-D298 VanDerWaalsContact O-CG 3.27Å; K294-D298 PolarHBondContact O-N 3.17Å; S296-D298 VanDerWaalsContact C-N 3.34Å; S296-D298 PolarHBondContact O-N 3.38Å; D298-A301 PolarHBondContact O-N 3.46Å; D298-D302 PolarHBondContact O-N 3.04Å |
| 299 | W | 96 | Very high | 95.5 | Very high | 147 Ų | 147 | 95.7 Ų | 95.7 | 56% | 0.557 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59 | -46.1 | 170.3 | -176 | 88.3 | 0 | 0 | 0 | 112.4 | C295 S296 A301 D302 Q303 | C295-W299 WeakPolarHBondContact O-CB 3.35Å; C295-W299 PolarHBondContact O-N 2.97Å; S296-W299 PolarHBondContact O-N 3.43Å; W299-A301 VanDerWaalsContact C-N 3.32Å; W299-A301 PolarHBondContact O-N 3.45Å; W299-D302 PolarHBondContact O-N 3.05Å; W299-Q303 HydrophobicContact CD2-CG 4.06Å; W299-Q303 HydrophobicContact CE3-CG 4.14Å; W299-Q303 HydrophobicContact CH2-CG 4Å; W299-Q303 HydrophobicContact CZ2-CG 3.91Å; W299-Q303 HydrophobicContact CZ3-CG 4.12Å; W299-Q303 WeakPolarHBondContact O-CG 3.41Å; W299-Q303 PolarHBondContact O-N 3.38Å |
| 300 | Y | 96.4 | Very high | 95.4 | Very high | 155 Ų | 155 | 93 Ų | 93 | 61% | 0.608 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.4 | -38 | 175.6 | -77.5 | -63 | 0 | 0 | 0 | 112.5 | S296 R297 Q303 L304 | S296-Y300 WeakPolarHBondContact O-CD2 3.47Å; S296-Y300 PolarHBondContact O-N 3.46Å; R297-Y300 PolarHBondContact O-N 3.41Å; Y300-Q303 PolarHBondContact O-N 2.66Å; Y300-L304 WeakPolarHBondContact O-CB 3.46Å; Y300-L304 PolarHBondContact O-N 3.02Å |
| 301 | A | 95.6 | Very high | 95.2 | Very high | 46 Ų | 46 | 96.5 Ų | 96.5 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | R297 D298 W299 L304 R305 | R297-A301 PolarHBondContact O-N 2.98Å; D298-A301 PolarHBondContact O-N 3.46Å; W299-A301 VanDerWaalsContact C-N 3.32Å; W299-A301 PolarHBondContact O-N 3.45Å; A301-L304 PolarHBondContact O-N 3.32Å; A301-R305 WeakPolarHBondContact O-CB 3.44Å; A301-R305 PolarHBondContact O-N 3.22Å |
| 302 | D | 95.8 | Very high | 95.1 | Very high | 86 Ų | 86 | 97.7 Ų | 97.7 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.9 | -32.9 | 177.5 | -79.5 | -27 | 0 | 0 | 0 | 113.4 | D298 W299 L304 R305 S306 | D298-D302 PolarHBondContact O-N 3.04Å; W299-D302 PolarHBondContact O-N 3.05Å; D302-L304 VanDerWaalsContact C-N 3.33Å; D302-R305 PolarHBondContact O-N 3.13Å; D302-R305 IonicContact OD1-CZ 2.8Å; D302-R305 IonicContact OD1-NE 3.83Å; D302-R305 PolarHBondContact OD1-NE 2.86Å; D302-R305 IonicContact OD1-NH2 2.57Å; D302-R305 PolarHBondContact OD1-NH2 3.16Å; D302-S306 WeakPolarHBondContact O-CB 3.36Å; D302-S306 PolarHBondContact O-N 3.39Å |
| 303 | Q | 94.3 | Very high | 95 | Very high | 95 Ų | 95 | 101 Ų | 101 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 168.4 | -68.7 | -61.4 | -22.1 | 0 | 0 | 111.5 | W299 Y300 S306 A307 | W299-Q303 HydrophobicContact CD2-CG 4.06Å; W299-Q303 HydrophobicContact CE3-CG 4.14Å; W299-Q303 HydrophobicContact CH2-CG 4Å; W299-Q303 HydrophobicContact CZ2-CG 3.91Å; W299-Q303 HydrophobicContact CZ3-CG 4.12Å; W299-Q303 WeakPolarHBondContact O-CG 3.41Å; W299-Q303 PolarHBondContact O-N 3.38Å; Y300-Q303 PolarHBondContact O-N 2.66Å; Q303-S306 PolarHBondContact O-N 3.16Å; Q303-A307 WeakPolarHBondContact O-CB 3.38Å; Q303-A307 PolarHBondContact O-N 3.42Å |
| 304 | L | 94.8 | Very high | 94.8 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 176.9 | -148.2 | 78.7 | 0 | 0 | 0 | 111.7 | Y300 A301 D302 A307 Q308 | Y300-L304 WeakPolarHBondContact O-CB 3.46Å; Y300-L304 PolarHBondContact O-N 3.02Å; A301-L304 PolarHBondContact O-N 3.32Å; D302-L304 VanDerWaalsContact C-N 3.33Å; L304-A307 PolarHBondContact O-N 2.75Å; L304-Q308 VanDerWaalsContact O-CG 3.3Å; L304-Q308 WeakPolarHBondContact O-CG 3.3Å; L304-Q308 PolarHBondContact O-N 3.35Å |
| 305 | R | 96 | Very high | 94.6 | Very high | 156 Ų | 156 | 103.3 Ų | 103.3 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 175.5 | -162.3 | -160.5 | -48.2 | -86.7 | 4.1 | 111.9 | A301 D302 Q308 C309 | A301-R305 WeakPolarHBondContact O-CB 3.44Å; A301-R305 PolarHBondContact O-N 3.22Å; D302-R305 PolarHBondContact O-N 3.13Å; D302-R305 IonicContact OD1-CZ 2.8Å; D302-R305 IonicContact OD1-NE 3.83Å; D302-R305 PolarHBondContact OD1-NE 2.86Å; D302-R305 IonicContact OD1-NH2 2.57Å; D302-R305 PolarHBondContact OD1-NH2 3.16Å; R305-Q308 PolarHBondContact O-N 3.29Å; R305-C309 PolarHBondContact O-N 3.24Å |
| 306 | S | 93.6 | Very high | 94.5 | Very high | 65 Ų | 65 | 103 Ų | 103 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 175.4 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | D302 Q303 Q308 C309 V310 | D302-S306 WeakPolarHBondContact O-CB 3.36Å; D302-S306 PolarHBondContact O-N 3.39Å; Q303-S306 PolarHBondContact O-N 3.16Å; S306-Q308 VanDerWaalsContact C-N 3.32Å; S306-Q308 PolarHBondContact O-N 3.49Å; S306-C309 PolarHBondContact O-N 3.22Å; S306-V310 WeakPolarHBondContact O-CG2 3.28Å; S306-V310 PolarHBondContact O-N 3.44Å |
| 307 | A | 94.4 | Very high | 94.3 | Very high | 55 Ų | 55 | 104.2 Ų | 104.2 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -34.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q303 L304 R311 | Q303-A307 WeakPolarHBondContact O-CB 3.38Å; Q303-A307 PolarHBondContact O-N 3.42Å; L304-A307 PolarHBondContact O-N 2.75Å; A307-R311 WeakPolarHBondContact O-CB 3.46Å; A307-R311 PolarHBondContact O-N 3.33Å |
| 308 | Q | 93.9 | Very high | 94.1 | Very high | 90 Ų | 90 | 100.5 Ų | 100.5 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -52.2 | 171.2 | -74.1 | 166.2 | -15.7 | 0 | 0 | 111.1 | L304 R305 S306 V310 R311 D312 | L304-Q308 VanDerWaalsContact O-CG 3.3Å; L304-Q308 WeakPolarHBondContact O-CG 3.3Å; L304-Q308 PolarHBondContact O-N 3.35Å; R305-Q308 PolarHBondContact O-N 3.29Å; S306-Q308 VanDerWaalsContact C-N 3.32Å; S306-Q308 PolarHBondContact O-N 3.49Å; Q308-V310 VanDerWaalsContact C-N 3.27Å; Q308-V310 PolarHBondContact O-N 2.97Å; Q308-R311 WeakPolarHBondContact O-CA 3.48Å; Q308-R311 WeakPolarHBondContact O-CB 3.47Å; Q308-R311 PolarHBondContact O-N 3.41Å; Q308-D312 VanDerWaalsContact O-CG 3.23Å; Q308-D312 PolarHBondContact O-N 3.48Å |
| 309 | C | 95.1 | Very high | 93.9 | Very high | 87 Ų | 87 | 102.6 Ų | 102.6 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.8 | -38.6 | 177.8 | -175.9 | 0 | 0 | 0 | 0 | 113.1 | R305 S306 R313 | R305-C309 PolarHBondContact O-N 3.24Å; S306-C309 PolarHBondContact O-N 3.22Å; C309-R313 WeakPolarHBondContact O-CB 3.4Å; C309-R313 PolarHBondContact O-N 2.9Å |
| 310 | V | 92.5 | Very high | 93.8 | Very high | 62 Ų | 62 | 100.3 Ų | 100.3 | 38% | 0.376 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 173.9 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | S306 Q308 R313 I314 | S306-V310 WeakPolarHBondContact O-CG2 3.28Å; S306-V310 PolarHBondContact O-N 3.44Å; Q308-V310 VanDerWaalsContact C-N 3.27Å; Q308-V310 PolarHBondContact O-N 2.97Å; V310-R313 PolarHBondContact O-N 3.37Å; V310-I314 HydrophobicContact CG1-CD1 3.84Å; V310-I314 VanDerWaalsContact O-CG1 3.28Å; V310-I314 WeakPolarHBondContact O-CG1 3.4Å; V310-I314 PolarHBondContact O-N 3.24Å |
| 311 | R | 91.9 | Very high | 93.7 | Very high | 158 Ų | 158 | 97.5 Ų | 97.5 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.2 | -48.4 | 175.6 | -178.6 | -173.9 | -62.2 | 154.3 | 2 | 111.4 | A307 Q308 R313 I314 Q315 | A307-R311 WeakPolarHBondContact O-CB 3.46Å; A307-R311 PolarHBondContact O-N 3.33Å; Q308-R311 WeakPolarHBondContact O-CA 3.48Å; Q308-R311 WeakPolarHBondContact O-CB 3.47Å; Q308-R311 PolarHBondContact O-N 3.41Å; R311-R313 VanDerWaalsContact C-N 3.31Å; R311-R313 PolarHBondContact O-N 3.23Å; R311-I314 PolarHBondContact O-N 2.94Å; R311-I314 VanDerWaalsContact O-N 3.13Å; R311-Q315 WeakPolarHBondContact O-CB 3.47Å; R311-Q315 PolarHBondContact O-N 3.31Å |
| 312 | D | 93.7 | Very high | 93.6 | Very high | 88 Ų | 88 | 100 Ų | 100 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | -178.9 | -58.2 | -22.8 | 0 | 0 | 0 | 110.3 | Q308 I314 Q315 N316 | Q308-D312 VanDerWaalsContact O-CG 3.23Å; Q308-D312 PolarHBondContact O-N 3.48Å; D312-I314 PolarHBondContact O-N 2.88Å; D312-Q315 PolarHBondContact O-N 2.97Å; D312-N316 PolarHBondContact O-N 3.35Å; D312-N316 VanDerWaalsContact O-N 3.16Å; D312-N316 PolarHBondContact O-ND2 3.44Å |
| 313 | R | 93.5 | Very high | 93.5 | Very high | 165 Ų | 165 | 98.6 Ų | 98.6 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.2 | -47.8 | 173.1 | -169.9 | 178.2 | 69.4 | 175.8 | 2.1 | 111.8 | C309 V310 R311 Q315 N316 E317 | C309-R313 WeakPolarHBondContact O-CB 3.4Å; C309-R313 PolarHBondContact O-N 2.9Å; V310-R313 PolarHBondContact O-N 3.37Å; R311-R313 VanDerWaalsContact C-N 3.31Å; R311-R313 PolarHBondContact O-N 3.23Å; R313-Q315 VanDerWaalsContact C-N 3.31Å; R313-Q315 PolarHBondContact O-N 2.73Å; R313-N316 PolarHBondContact O-N 3.46Å; R313-E317 PolarHBondContact O-N 2.92Å |
| 314 | I | 92.1 | Very high | 93.6 | Very high | 108 Ų | 108 | 99.9 Ų | 99.9 | 55% | 0.554 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.4 | -38.9 | 178.2 | -70.3 | 166.7 | 0 | 0 | 0 | 111.4 | V310 R311 D312 N316 E317 P318 | V310-I314 HydrophobicContact CG1-CD1 3.84Å; V310-I314 VanDerWaalsContact O-CG1 3.28Å; V310-I314 WeakPolarHBondContact O-CG1 3.4Å; V310-I314 PolarHBondContact O-N 3.24Å; R311-I314 PolarHBondContact O-N 2.94Å; R311-I314 VanDerWaalsContact O-N 3.13Å; D312-I314 PolarHBondContact O-N 2.88Å; I314-N316 VanDerWaalsContact C-N 3.28Å; I314-N316 PolarHBondContact O-N 3.45Å; I314-E317 PolarHBondContact O-N 3.42Å; I314-P318 WeakPolarHBondContact O-CD 3.48Å |
| 315 | Q | 91.7 | Very high | 93.5 | Very high | 137 Ų | 137 | 99.7 Ų | 99.7 | 64% | 0.64 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.5 | -26.5 | 179.1 | -173.8 | 168.5 | -29.8 | 0 | 0 | 113 | R311 D312 R313 P318 | R311-Q315 WeakPolarHBondContact O-CB 3.47Å; R311-Q315 PolarHBondContact O-N 3.31Å; D312-Q315 PolarHBondContact O-N 2.97Å; R313-Q315 VanDerWaalsContact C-N 3.31Å; R313-Q315 PolarHBondContact O-N 2.73Å; Q315-P318 WeakPolarHBondContact O-CD 3.24Å; Q315-P318 WeakPolarHBondContact O-CG 3.08Å |
| 316 | N | 94 | Very high | 93.4 | Very high | 86 Ų | 86 | 99.7 Ų | 99.7 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -83.6 | -22.3 | 176.2 | -74.8 | -69.9 | 0 | 0 | 0 | 114.1 | D312 R313 I314 E319 K320 | D312-N316 PolarHBondContact O-N 3.35Å; D312-N316 VanDerWaalsContact O-N 3.16Å; D312-N316 PolarHBondContact O-ND2 3.44Å; R313-N316 PolarHBondContact O-N 3.46Å; I314-N316 VanDerWaalsContact C-N 3.28Å; I314-N316 PolarHBondContact O-N 3.45Å; N316-E319 PolarHBondContact O-N 2.9Å; N316-K320 WeakPolarHBondContact O-CG 3.39Å; N316-K320 PolarHBondContact O-N 3.25Å |
| 317 | E | 93 | Very high | 93.5 | Very high | 72 Ų | 72 | 101.2 Ų | 101.2 | 34% | 0.336 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 177.5 | -62.1 | -49.3 | 137.1 | 0 | 0 | 115.2 | R313 I314 E319 K320 I321 | R313-E317 PolarHBondContact O-N 2.92Å; I314-E317 PolarHBondContact O-N 3.42Å; E317-E319 VanDerWaalsContact C-N 3.26Å; E317-E319 PolarHBondContact O-N 3.42Å; E317-K320 WeakPolarHBondContact O-CB 3.46Å; E317-K320 PolarHBondContact O-N 3.46Å; E317-K320 IonicContact OE1-NZ 2.66Å; E317-K320 PolarHBondContact OE1-NZ 3.09Å; E317-K320 WeakPolarHBondContact OE2-CD 3.39Å; E317-K320 IonicContact OE2-NZ 3.78Å; E317-K320 PolarHBondContact OE2-NZ 3.36Å; E317-I321 WeakPolarHBondContact O-CG1 3.29Å; E317-I321 PolarHBondContact O-N 2.86Å |
| 318 | P | 91.7 | Very high | 93.5 | Very high | 66 Ų | 66 | 101.3 Ų | 101.3 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -32.5 | 178 | 24.3 | -34.2 | 0 | 0 | 0 | 112.6 | I314 Q315 I321 I322 | I314-P318 WeakPolarHBondContact O-CD 3.48Å; Q315-P318 WeakPolarHBondContact O-CD 3.24Å; Q315-P318 WeakPolarHBondContact O-CG 3.08Å; P318-I321 PolarHBondContact O-N 3.36Å; P318-I322 WeakPolarHBondContact O-CB 3.47Å; P318-I322 WeakPolarHBondContact O-CD1 3.34Å; P318-I322 VanDerWaalsContact O-CG1 3.24Å; P318-I322 WeakPolarHBondContact O-CG1 3.48Å; P318-I322 PolarHBondContact O-N 2.59Å |
| 319 | E | 92.4 | Very high | 93.5 | Very high | 117 Ų | 117 | 99.5 Ų | 99.5 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 176 | -173.1 | 165.2 | -169.7 | 0 | 0 | 111.9 | N316 E317 I321 I322 N323 | N316-E319 PolarHBondContact O-N 2.9Å; E317-E319 VanDerWaalsContact C-N 3.26Å; E317-E319 PolarHBondContact O-N 3.42Å; E319-I321 VanDerWaalsContact C-N 3.33Å; E319-I321 PolarHBondContact O-N 3.34Å; E319-I322 PolarHBondContact O-N 2.93Å; E319-N323 PolarHBondContact O-N 2.88Å; E319-N323 PolarHBondContact O-ND2 2.93Å |
| 320 | K | 93.2 | Very high | 93.4 | Very high | 99 Ų | 99 | 97.2 Ų | 97.2 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 169.9 | -64.4 | 171.7 | -167.7 | 171.8 | 0 | 111.8 | N316 E317 N323 L324 | N316-K320 WeakPolarHBondContact O-CG 3.39Å; N316-K320 PolarHBondContact O-N 3.25Å; E317-K320 WeakPolarHBondContact O-CB 3.46Å; E317-K320 PolarHBondContact O-N 3.46Å; E317-K320 IonicContact OE1-NZ 2.66Å; E317-K320 PolarHBondContact OE1-NZ 3.09Å; E317-K320 WeakPolarHBondContact OE2-CD 3.39Å; E317-K320 IonicContact OE2-NZ 3.78Å; E317-K320 PolarHBondContact OE2-NZ 3.36Å; K320-N323 PolarHBondContact O-N 2.9Å; K320-L324 WeakPolarHBondContact O-CG 3.49Å; K320-L324 PolarHBondContact O-N 3.13Å |
| 321 | I | 94.6 | Very high | 93.5 | Very high | 95 Ų | 95 | 98 Ų | 98 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 178.9 | -68.2 | 164.6 | 0 | 0 | 0 | 110.8 | E317 P318 E319 N323 L324 L325 | E317-I321 WeakPolarHBondContact O-CG1 3.29Å; E317-I321 PolarHBondContact O-N 2.86Å; P318-I321 PolarHBondContact O-N 3.36Å; E319-I321 VanDerWaalsContact C-N 3.33Å; E319-I321 PolarHBondContact O-N 3.34Å; I321-N323 VanDerWaalsContact C-N 3.31Å; I321-N323 PolarHBondContact O-N 2.92Å; I321-L324 PolarHBondContact O-N 3.31Å; I321-L325 HydrophobicContact CG2-CD1 3.91Å; I321-L325 HydrophobicContact CG2-CG 4.48Å; I321-L325 WeakPolarHBondContact O-CB 3.17Å; I321-L325 VanDerWaalsContact O-CG 3.29Å; I321-L325 WeakPolarHBondContact O-CG 3.23Å; I321-L325 PolarHBondContact O-N 2.91Å |
| 322 | I | 94.2 | Very high | 93.6 | Very high | 99 Ų | 99 | 94.8 Ų | 94.8 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 173.8 | -72.7 | 163.6 | 0 | 0 | 0 | 111 | P318 E319 L325 R326 | P318-I322 WeakPolarHBondContact O-CB 3.47Å; P318-I322 WeakPolarHBondContact O-CD1 3.34Å; P318-I322 VanDerWaalsContact O-CG1 3.24Å; P318-I322 WeakPolarHBondContact O-CG1 3.48Å; P318-I322 PolarHBondContact O-N 2.59Å; E319-I322 PolarHBondContact O-N 2.93Å; I322-L325 PolarHBondContact O-N 3.09Å; I322-R326 WeakPolarHBondContact O-CB 3.39Å; I322-R326 PolarHBondContact O-N 3.43Å |
| 323 | N | 93.5 | Very high | 93.6 | Very high | 56 Ų | 56 | 96.8 Ų | 96.8 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 177 | -67.9 | -23.9 | 0 | 0 | 0 | 112.1 | E319 K320 I321 L325 R326 D327 | E319-N323 PolarHBondContact O-N 2.88Å; E319-N323 PolarHBondContact O-ND2 2.93Å; K320-N323 PolarHBondContact O-N 2.9Å; I321-N323 VanDerWaalsContact C-N 3.31Å; I321-N323 PolarHBondContact O-N 2.92Å; N323-L325 VanDerWaalsContact C-N 3.31Å; N323-L325 PolarHBondContact O-N 3.05Å; N323-R326 VanDerWaalsContact O-CB 3.3Å; N323-R326 WeakPolarHBondContact O-CB 3.35Å; N323-R326 PolarHBondContact O-N 3.02Å; N323-R326 VanDerWaalsContact O-N 3.09Å; N323-R326 PolarHBondContact OD1-NH2 2.97Å; N323-D327 PolarHBondContact O-N 3.27Å |
| 324 | L | 95.1 | Very high | 93.7 | Very high | 122 Ų | 122 | 96.6 Ų | 96.6 | 64% | 0.639 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.1 | -36.1 | 174.7 | -69.1 | 170.5 | 0 | 0 | 0 | 112.8 | K320 I321 S328 | K320-L324 WeakPolarHBondContact O-CG 3.49Å; K320-L324 PolarHBondContact O-N 3.13Å; I321-L324 PolarHBondContact O-N 3.31Å; L324-S328 WeakPolarHBondContact O-CB 3.29Å; L324-S328 PolarHBondContact O-N 3.02Å |
| 325 | L | 94.3 | Very high | 93.8 | Very high | 111 Ų | 111 | 95.3 Ų | 95.3 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.7 | -38.7 | 172.5 | -76.3 | 166.5 | 0 | 0 | 0 | 112.1 | I321 I322 N323 S329 | I321-L325 HydrophobicContact CG2-CD1 3.91Å; I321-L325 HydrophobicContact CG2-CG 4.48Å; I321-L325 WeakPolarHBondContact O-CB 3.17Å; I321-L325 VanDerWaalsContact O-CG 3.29Å; I321-L325 WeakPolarHBondContact O-CG 3.23Å; I321-L325 PolarHBondContact O-N 2.91Å; I322-L325 PolarHBondContact O-N 3.09Å; N323-L325 VanDerWaalsContact C-N 3.31Å; N323-L325 PolarHBondContact O-N 3.05Å; L325-S329 VanDerWaalsContact O-CB 3.23Å; L325-S329 WeakPolarHBondContact O-CB 3.3Å; L325-S329 PolarHBondContact O-N 3.17Å |
| 326 | R | 94 | Very high | 93.9 | Very high | 156 Ų | 156 | 91.6 Ų | 91.6 | 59% | 0.589 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.4 | -44.7 | 175.7 | -164.8 | -160.5 | -47.3 | -128.1 | 6.8 | 111.5 | I322 N323 S329 G330 | I322-R326 WeakPolarHBondContact O-CB 3.39Å; I322-R326 PolarHBondContact O-N 3.43Å; N323-R326 VanDerWaalsContact O-CB 3.3Å; N323-R326 WeakPolarHBondContact O-CB 3.35Å; N323-R326 PolarHBondContact O-N 3.02Å; N323-R326 VanDerWaalsContact O-N 3.09Å; N323-R326 PolarHBondContact OD1-NH2 2.97Å; R326-S329 WeakPolarHBondContact O-CB 3.39Å; R326-S329 PolarHBondContact O-N 2.87Å; R326-G330 PolarHBondContact O-N 2.85Å |
| 327 | D | 94.9 | Very high | 94 | Very high | 97 Ų | 97 | 94.2 Ų | 94.2 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70 | -42.5 | 179.3 | -64.7 | -22.1 | 0 | 0 | 0 | 111.2 | N323 S329 G330 I331 | N323-D327 PolarHBondContact O-N 3.27Å; D327-S329 VanDerWaalsContact C-N 3.33Å; D327-S329 PolarHBondContact O-N 3.5Å; D327-G330 PolarHBondContact O-N 3.38Å; D327-I331 WeakPolarHBondContact O-CB 3.35Å; D327-I331 VanDerWaalsContact O-CG1 3.29Å; D327-I331 WeakPolarHBondContact O-CG1 3.41Å; D327-I331 PolarHBondContact O-N 3.43Å |
| 328 | S | 94.3 | Very high | 94.1 | Very high | 56 Ų | 56 | 95.4 Ų | 95.4 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | L324 I331 N332 | L324-S328 WeakPolarHBondContact O-CB 3.29Å; L324-S328 PolarHBondContact O-N 3.02Å; S328-I331 PolarHBondContact O-N 3.13Å; S328-N332 WeakPolarHBondContact O-CB 3.5Å; S328-N332 VanDerWaalsContact O-CG 3.3Å; S328-N332 PolarHBondContact O-N 3.5Å; S328-N332 PolarHBondContact O-ND2 2.97Å; S328-N332 PolarHBondContact OG-ND2 2.91Å |
| 329 | S | 93.1 | Very high | 94.3 | Very high | 53 Ų | 53 | 95.8 Ų | 95.8 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 172.5 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | L325 R326 D327 I331 N332 H333 | L325-S329 VanDerWaalsContact O-CB 3.23Å; L325-S329 WeakPolarHBondContact O-CB 3.3Å; L325-S329 PolarHBondContact O-N 3.17Å; R326-S329 WeakPolarHBondContact O-CB 3.39Å; R326-S329 PolarHBondContact O-N 2.87Å; D327-S329 VanDerWaalsContact C-N 3.33Å; D327-S329 PolarHBondContact O-N 3.5Å; S329-I331 VanDerWaalsContact C-N 3.34Å; S329-I331 PolarHBondContact O-N 3.32Å; S329-N332 PolarHBondContact O-N 3.17Å; S329-H333 PolarHBondContact O-CD2 2.85Å; S329-H333 PolarHBondContact O-N 3.12Å; S329-H333 PolarHBondContact OG-CD2 3.45Å; S329-H333 PolarHBondContact OG-NE2 3.36Å |
| 330 | G | 94.1 | Very high | 94.4 | Very high | 39 Ų | 39 | 92.9 Ų | 92.9 | 40% | 0.402 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R326 D327 R334 | R326-G330 PolarHBondContact O-N 2.85Å; D327-G330 PolarHBondContact O-N 3.38Å; G330-R334 WeakPolarHBondContact O-CB 3.49Å; G330-R334 PolarHBondContact O-N 3.48Å |
| 331 | I | 94.5 | Very high | 94.5 | Very high | 78 Ų | 78 | 91.6 Ų | 91.6 | 40% | 0.4 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 174.5 | -69 | 164.8 | 0 | 0 | 0 | 110.7 | D327 S328 S329 H333 R334 L335 | D327-I331 WeakPolarHBondContact O-CB 3.35Å; D327-I331 VanDerWaalsContact O-CG1 3.29Å; D327-I331 WeakPolarHBondContact O-CG1 3.41Å; D327-I331 PolarHBondContact O-N 3.43Å; S328-I331 PolarHBondContact O-N 3.13Å; S329-I331 VanDerWaalsContact C-N 3.34Å; S329-I331 PolarHBondContact O-N 3.32Å; I331-H333 PolarHBondContact O-N 3.43Å; I331-R334 PolarHBondContact O-N 3.1Å; I331-L335 HydrophobicContact CG2-CD1 3.88Å; I331-L335 HydrophobicContact CG2-CG 4.3Å; I331-L335 WeakPolarHBondContact O-CB 3.33Å; I331-L335 WeakPolarHBondContact O-CG 3.47Å; I331-L335 PolarHBondContact O-N 2.75Å |
| 332 | N | 94.9 | Very high | 94.6 | Very high | 91 Ų | 91 | 91.3 Ų | 91.3 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 177.9 | -77.8 | -47.6 | 0 | 0 | 0 | 112.3 | S328 S329 L335 A336 | S328-N332 WeakPolarHBondContact O-CB 3.5Å; S328-N332 VanDerWaalsContact O-CG 3.3Å; S328-N332 PolarHBondContact O-N 3.5Å; S328-N332 PolarHBondContact O-ND2 2.97Å; S328-N332 PolarHBondContact OG-ND2 2.91Å; S329-N332 PolarHBondContact O-N 3.17Å; N332-L335 PolarHBondContact O-N 3.43Å; N332-A336 VanDerWaalsContact O-CB 3.23Å; N332-A336 WeakPolarHBondContact O-CB 3.21Å; N332-A336 PolarHBondContact O-N 3.46Å |
| 333 | H | 93.3 | Very high | 94.7 | Very high | 130 Ų | 130 | 94.1 Ų | 94.1 | 60% | 0.602 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.8 | -42.2 | 173.7 | -75.5 | -60.4 | 0 | 0 | 0 | 112.1 | S329 I331 A336 H337 | S329-H333 PolarHBondContact O-CD2 2.85Å; S329-H333 PolarHBondContact O-N 3.12Å; S329-H333 PolarHBondContact OG-CD2 3.45Å; S329-H333 PolarHBondContact OG-NE2 3.36Å; I331-H333 PolarHBondContact O-N 3.43Å; H333-A336 PolarHBondContact O-N 2.88Å; H333-H337 WeakPolarHBondContact O-CB 3.33Å; H333-H337 PolarHBondContact O-N 3.47Å |
| 334 | R | 95.3 | Very high | 94.7 | Very high | 160 Ų | 160 | 94 Ų | 94 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -49.3 | 174.4 | -174.8 | 174.7 | 68.8 | -141.4 | 0.2 | 111.5 | G330 I331 A336 H337 E338 | G330-R334 WeakPolarHBondContact O-CB 3.49Å; G330-R334 PolarHBondContact O-N 3.48Å; I331-R334 PolarHBondContact O-N 3.1Å; R334-A336 VanDerWaalsContact C-N 3.32Å; R334-A336 PolarHBondContact O-N 3.06Å; R334-H337 PolarHBondContact O-N 3.12Å; R334-E338 WeakPolarHBondContact O-CB 3.23Å; R334-E338 PolarHBondContact O-N 3.01Å |
| 335 | L | 94.7 | Very high | 94.8 | Very high | 81 Ų | 81 | 94.2 Ų | 94.2 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 177.6 | -74.4 | 175.7 | 0 | 0 | 0 | 112.3 | I331 N332 N339 | I331-L335 HydrophobicContact CG2-CD1 3.88Å; I331-L335 HydrophobicContact CG2-CG 4.3Å; I331-L335 WeakPolarHBondContact O-CB 3.33Å; I331-L335 WeakPolarHBondContact O-CG 3.47Å; I331-L335 PolarHBondContact O-N 2.75Å; N332-L335 PolarHBondContact O-N 3.43Å; L335-N339 VanDerWaalsContact O-CB 3.3Å; L335-N339 WeakPolarHBondContact O-CB 3.3Å; L335-N339 PolarHBondContact O-N 3.36Å |
| 336 | A | 94 | Very high | 94.8 | Very high | 59 Ų | 59 | 93.4 Ų | 93.4 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N332 H333 R334 N339 A340 | N332-A336 VanDerWaalsContact O-CB 3.23Å; N332-A336 WeakPolarHBondContact O-CB 3.21Å; N332-A336 PolarHBondContact O-N 3.46Å; H333-A336 PolarHBondContact O-N 2.88Å; R334-A336 VanDerWaalsContact C-N 3.32Å; R334-A336 PolarHBondContact O-N 3.06Å; A336-N339 PolarHBondContact O-N 2.84Å; A336-A340 PolarHBondContact O-N 3Å |
| 337 | H | 95.1 | Very high | 94.9 | Very high | 142 Ų | 142 | 88.7 Ų | 88.7 | 66% | 0.657 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 173.5 | 178 | -82.1 | 0 | 0 | 0 | 111.6 | H333 R334 N339 A340 C341 | H333-H337 WeakPolarHBondContact O-CB 3.33Å; H333-H337 PolarHBondContact O-N 3.47Å; R334-H337 PolarHBondContact O-N 3.12Å; H337-N339 PolarHBondContact O-N 3.42Å; H337-A340 WeakPolarHBondContact O-CB 3.42Å; H337-A340 PolarHBondContact O-N 2.77Å; H337-C341 WeakPolarHBondContact O-CB 3.27Å; H337-C341 PolarHBondContact O-N 3.3Å |
| 338 | E | 96 | Very high | 94.9 | Very high | 97 Ų | 97 | 88.3 Ų | 88.3 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 174.2 | -174.7 | 177 | 178.4 | 0 | 0 | 111.4 | R334 A340 C341 L342 | R334-E338 WeakPolarHBondContact O-CB 3.23Å; R334-E338 PolarHBondContact O-N 3.01Å; E338-A340 VanDerWaalsContact C-N 3.33Å; E338-A340 PolarHBondContact O-N 3.41Å; E338-C341 PolarHBondContact O-N 2.8Å; E338-L342 HydrophobicContact CG-CD1 4.09Å; E338-L342 WeakPolarHBondContact O-CB 3.44Å; E338-L342 VanDerWaalsContact O-CG 3.3Å; E338-L342 WeakPolarHBondContact O-CG 3.48Å; E338-L342 PolarHBondContact O-N 3.16Å |
| 339 | N | 94 | Very high | 94.9 | Very high | 74 Ų | 74 | 89 Ų | 89 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 174.5 | -119.4 | -98.9 | 0 | 0 | 0 | 113.1 | L335 A336 H337 R343 | L335-N339 VanDerWaalsContact O-CB 3.3Å; L335-N339 WeakPolarHBondContact O-CB 3.3Å; L335-N339 PolarHBondContact O-N 3.36Å; A336-N339 PolarHBondContact O-N 2.84Å; H337-N339 PolarHBondContact O-N 3.42Å; N339-R343 WeakPolarHBondContact O-CB 3.3Å; N339-R343 VanDerWaalsContact O-CG 3.27Å; N339-R343 WeakPolarHBondContact O-CG 3.43Å; N339-R343 PolarHBondContact O-N 2.86Å; N339-R343 VanDerWaalsContact O-N 3.09Å; N339-R343 PolarHBondContact O-NH1 2.99Å; N339-R343 PolarHBondContact OD1-NH1 3.4Å; N339-R343 VanDerWaalsContact OD1-NH1 3.16Å; N339-R343 PolarHBondContact OD1-NH2 3.48Å |
| 340 | A | 94.8 | Very high | 95 | Very high | 55 Ų | 55 | 92.7 Ų | 92.7 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.7 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A336 H337 E338 R343 A344 | A336-A340 PolarHBondContact O-N 3Å; H337-A340 WeakPolarHBondContact O-CB 3.42Å; H337-A340 PolarHBondContact O-N 2.77Å; E338-A340 VanDerWaalsContact C-N 3.33Å; E338-A340 PolarHBondContact O-N 3.41Å; A340-R343 PolarHBondContact O-N 3.25Å; A340-A344 PolarHBondContact O-N 3.47Å |
| 341 | C | 96.3 | Very high | 95.1 | Very high | 72 Ų | 72 | 93.2 Ų | 93.2 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 176 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | H337 E338 R343 A344 Q345 | H337-C341 WeakPolarHBondContact O-CB 3.27Å; H337-C341 PolarHBondContact O-N 3.3Å; E338-C341 PolarHBondContact O-N 2.8Å; C341-R343 PolarHBondContact O-N 3.43Å; C341-A344 PolarHBondContact O-N 3.05Å; C341-Q345 WeakPolarHBondContact O-CB 3.43Å; C341-Q345 PolarHBondContact O-N 3.14Å |
| 342 | L | 97 | Very high | 95.1 | Very high | 89 Ų | 89 | 92.4 Ų | 92.4 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 176.4 | -71 | 170.2 | 0 | 0 | 0 | 112.5 | E338 L346 | E338-L342 HydrophobicContact CG-CD1 4.09Å; E338-L342 WeakPolarHBondContact O-CB 3.44Å; E338-L342 VanDerWaalsContact O-CG 3.3Å; E338-L342 WeakPolarHBondContact O-CG 3.48Å; E338-L342 PolarHBondContact O-N 3.16Å; L342-L346 VanDerWaalsContact O-CB 3.26Å; L342-L346 WeakPolarHBondContact O-CB 3.49Å; L342-L346 PolarHBondContact O-N 3.24Å |
| 343 | R | 95.3 | Very high | 95 | Very high | 159 Ų | 159 | 93.9 Ų | 93.9 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -41.2 | 173.1 | -76.5 | -178.2 | -167.9 | 98.8 | 5.4 | 112.2 | N339 A340 C341 L346 A347 | N339-R343 WeakPolarHBondContact O-CB 3.3Å; N339-R343 VanDerWaalsContact O-CG 3.27Å; N339-R343 WeakPolarHBondContact O-CG 3.43Å; N339-R343 PolarHBondContact O-N 2.86Å; N339-R343 VanDerWaalsContact O-N 3.09Å; N339-R343 PolarHBondContact O-NH1 2.99Å; N339-R343 PolarHBondContact OD1-NH1 3.4Å; N339-R343 VanDerWaalsContact OD1-NH1 3.16Å; N339-R343 PolarHBondContact OD1-NH2 3.48Å; A340-R343 PolarHBondContact O-N 3.25Å; C341-R343 PolarHBondContact O-N 3.43Å; R343-L346 PolarHBondContact O-N 3.39Å; R343-A347 WeakPolarHBondContact O-CB 3.26Å; R343-A347 PolarHBondContact O-N 3.34Å |
| 344 | A | 94.5 | Very high | 95 | Very high | 53 Ų | 53 | 89.3 Ų | 89.3 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A340 C341 L346 A347 C348 | A340-A344 PolarHBondContact O-N 3.47Å; C341-A344 PolarHBondContact O-N 3.05Å; A344-L346 VanDerWaalsContact C-N 3.33Å; A344-L346 PolarHBondContact O-N 3.18Å; A344-A347 WeakPolarHBondContact O-CB 3.45Å; A344-A347 PolarHBondContact O-N 2.93Å; A344-A347 VanDerWaalsContact O-N 3.1Å; A344-C348 PolarHBondContact O-N 3.38Å; A344-C348 PolarHBondContact O-SG 3.37Å; A344-C348 VanDerWaalsContact O-SG 3.35Å |
| 345 | Q | 96.7 | Very high | 94.9 | Very high | 126 Ų | 126 | 85.7 Ų | 85.7 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.8 | -42.9 | 175.4 | -171.5 | -177 | 13.5 | 0 | 0 | 111.8 | C341 A347 C348 S349 | C341-Q345 WeakPolarHBondContact O-CB 3.43Å; C341-Q345 PolarHBondContact O-N 3.14Å; Q345-A347 VanDerWaalsContact C-N 3.35Å; Q345-C348 PolarHBondContact O-N 2.83Å; Q345-S349 VanDerWaalsContact O-CB 3.26Å; Q345-S349 WeakPolarHBondContact O-CB 3.44Å; Q345-S349 PolarHBondContact O-N 2.87Å |
| 346 | L | 94.9 | Very high | 95 | Very high | 94 Ų | 94 | 84.6 Ų | 84.6 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 175 | -177.7 | 62.7 | 0 | 0 | 0 | 112.3 | L342 R343 A344 K350 | L342-L346 VanDerWaalsContact O-CB 3.26Å; L342-L346 WeakPolarHBondContact O-CB 3.49Å; L342-L346 PolarHBondContact O-N 3.24Å; R343-L346 PolarHBondContact O-N 3.39Å; A344-L346 VanDerWaalsContact C-N 3.33Å; A344-L346 PolarHBondContact O-N 3.18Å; L346-K350 HydrophobicContact CG-CD 4.37Å; L346-K350 WeakPolarHBondContact O-CB 3.31Å; L346-K350 VanDerWaalsContact O-CG 3.27Å; L346-K350 WeakPolarHBondContact O-CG 3.45Å; L346-K350 PolarHBondContact O-N 3.31Å |
| 347 | A | 94.9 | Very high | 95 | Very high | 58 Ų | 58 | 88.8 Ų | 88.8 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -46.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R343 A344 Q345 S349 K350 A351 | R343-A347 WeakPolarHBondContact O-CB 3.26Å; R343-A347 PolarHBondContact O-N 3.34Å; A344-A347 WeakPolarHBondContact O-CB 3.45Å; A344-A347 PolarHBondContact O-N 2.93Å; A344-A347 VanDerWaalsContact O-N 3.1Å; Q345-A347 VanDerWaalsContact C-N 3.35Å; A347-S349 PolarHBondContact O-N 3.37Å; A347-K350 PolarHBondContact O-N 3.16Å; A347-A351 PolarHBondContact O-N 3.09Å |
| 348 | C | 95.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 89.5 Ų | 89.5 | 60% | 0.601 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.4 | -41.3 | 175 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | A344 Q345 A351 A352 | A344-C348 PolarHBondContact O-N 3.38Å; A344-C348 PolarHBondContact O-SG 3.37Å; A344-C348 VanDerWaalsContact O-SG 3.35Å; Q345-C348 PolarHBondContact O-N 2.83Å; C348-A351 PolarHBondContact O-N 3.49Å; C348-A352 WeakPolarHBondContact O-CB 3.26Å; C348-A352 PolarHBondContact O-N 2.78Å |
| 349 | S | 94.4 | Very high | 94.9 | Very high | 71 Ų | 71 | 88.2 Ų | 88.2 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 174.9 | 176.7 | 0 | 0 | 0 | 0 | 112 | Q345 A347 L353 | Q345-S349 VanDerWaalsContact O-CB 3.26Å; Q345-S349 WeakPolarHBondContact O-CB 3.44Å; Q345-S349 PolarHBondContact O-N 2.87Å; A347-S349 PolarHBondContact O-N 3.37Å; S349-L353 WeakPolarHBondContact O-CB 3.27Å; S349-L353 PolarHBondContact O-N 3.08Å |
| 350 | K | 96 | Very high | 95 | Very high | 130 Ų | 130 | 89.2 Ų | 89.2 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.4 | -37.2 | 174.6 | -76 | 173.8 | 178.5 | -178 | 0 | 112.9 | L346 A347 A354 | L346-K350 HydrophobicContact CG-CD 4.37Å; L346-K350 WeakPolarHBondContact O-CB 3.31Å; L346-K350 VanDerWaalsContact O-CG 3.27Å; L346-K350 WeakPolarHBondContact O-CG 3.45Å; L346-K350 PolarHBondContact O-N 3.31Å; A347-K350 PolarHBondContact O-N 3.16Å; K350-A354 WeakPolarHBondContact O-CB 3.41Å; K350-A354 PolarHBondContact O-N 3.29Å |
| 351 | A | 94.2 | Very high | 95 | Very high | 49 Ų | 49 | 89.6 Ų | 89.6 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -53 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | A347 C348 L353 A354 D355 | A347-A351 PolarHBondContact O-N 3.09Å; C348-A351 PolarHBondContact O-N 3.49Å; A351-L353 VanDerWaalsContact C-N 3.29Å; A351-L353 PolarHBondContact O-N 3.26Å; A351-A354 CarbonylContact O-C 3.54Å; A351-A354 WeakPolarHBondContact O-CA 3.45Å; A351-A354 WeakPolarHBondContact O-CB 3.38Å; A351-A354 PolarHBondContact O-N 2.98Å; A351-D355 PolarHBondContact O-N 3.27Å |
| 352 | A | 94.7 | Very high | 94.9 | Very high | 61 Ų | 61 | 93.4 Ų | 93.4 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C348 D355 A356 | C348-A352 WeakPolarHBondContact O-CB 3.26Å; C348-A352 PolarHBondContact O-N 2.78Å; A352-D355 PolarHBondContact O-N 3.12Å; A352-A356 WeakPolarHBondContact O-CB 3.38Å; A352-A356 PolarHBondContact O-N 3.44Å |
| 353 | L | 94.2 | Very high | 94.9 | Very high | 123 Ų | 123 | 93.5 Ų | 93.5 | 64% | 0.644 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.1 | -38.5 | 173.1 | 178.9 | 60.3 | 0 | 0 | 0 | 112.5 | S349 A351 D355 K357 | S349-L353 WeakPolarHBondContact O-CB 3.27Å; S349-L353 PolarHBondContact O-N 3.08Å; A351-L353 VanDerWaalsContact C-N 3.29Å; A351-L353 PolarHBondContact O-N 3.26Å; L353-D355 VanDerWaalsContact C-N 3.35Å; L353-K357 WeakPolarHBondContact O-CB 3.41Å; L353-K357 PolarHBondContact O-N 2.82Å |
| 354 | A | 93.1 | Very high | 95 | Very high | 34 Ų | 34 | 90.8 Ų | 90.8 | 28% | 0.281 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -36.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K350 A351 K357 R358 | K350-A354 WeakPolarHBondContact O-CB 3.41Å; K350-A354 PolarHBondContact O-N 3.29Å; A351-A354 CarbonylContact O-C 3.54Å; A351-A354 WeakPolarHBondContact O-CA 3.45Å; A351-A354 WeakPolarHBondContact O-CB 3.38Å; A351-A354 PolarHBondContact O-N 2.98Å; A354-K357 PolarHBondContact O-N 2.91Å; A354-R358 VanDerWaalsContact O-CG 3.27Å; A354-R358 WeakPolarHBondContact O-CG 3.4Å; A354-R358 PolarHBondContact O-N 3.4Å |
| 355 | D | 93.3 | Very high | 95 | Very high | 84 Ų | 84 | 92.6 Ų | 92.6 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.6 | -38.1 | 176.9 | -64.9 | -35.1 | 0 | 0 | 0 | 112.4 | A351 A352 L353 K357 R358 N359 | A351-D355 PolarHBondContact O-N 3.27Å; A352-D355 PolarHBondContact O-N 3.12Å; L353-D355 VanDerWaalsContact C-N 3.35Å; D355-K357 VanDerWaalsContact C-N 3.32Å; D355-K357 PolarHBondContact O-N 3.47Å; D355-R358 PolarHBondContact O-N 3.17Å; D355-R358 IonicContact OD1-CZ 2.69Å; D355-R358 IonicContact OD1-NH1 3.8Å; D355-R358 PolarHBondContact OD1-NH1 2.82Å; D355-N359 WeakPolarHBondContact O-CB 3.37Å; D355-N359 PolarHBondContact O-N 3.08Å |
| 356 | A | 95.3 | Very high | 95 | Very high | 57 Ų | 57 | 90 Ų | 90 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A352 N359 L360 | A352-A356 WeakPolarHBondContact O-CB 3.38Å; A352-A356 PolarHBondContact O-N 3.44Å; A356-N359 PolarHBondContact O-N 3.11Å; A356-L360 WeakPolarHBondContact O-CB 3.44Å; A356-L360 PolarHBondContact O-N 3.49Å |
| 357 | K | 94.8 | Very high | 95 | Very high | 147 Ų | 147 | 90 Ų | 90 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.3 | -45.2 | 173.7 | -175.9 | 179.9 | 178 | -178.7 | 0 | 111.9 | L353 A354 D355 N359 L360 S361 | L353-K357 WeakPolarHBondContact O-CB 3.41Å; L353-K357 PolarHBondContact O-N 2.82Å; A354-K357 PolarHBondContact O-N 2.91Å; D355-K357 VanDerWaalsContact C-N 3.32Å; D355-K357 PolarHBondContact O-N 3.47Å; K357-N359 VanDerWaalsContact C-N 3.33Å; K357-N359 PolarHBondContact O-N 3.18Å; K357-L360 PolarHBondContact O-N 3.34Å; K357-S361 WeakPolarHBondContact O-CB 3.33Å; K357-S361 PolarHBondContact O-N 3.16Å; K357-S361 PolarHBondContact O-OG 3.33Å |
| 358 | R | 93.7 | Very high | 95.1 | Very high | 157 Ų | 157 | 92.6 Ų | 92.6 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.3 | -43.5 | 176 | -74.6 | 166.5 | -176.4 | 123 | 3.3 | 111.6 | A354 D355 S361 R362 | A354-R358 VanDerWaalsContact O-CG 3.27Å; A354-R358 WeakPolarHBondContact O-CG 3.4Å; A354-R358 PolarHBondContact O-N 3.4Å; D355-R358 PolarHBondContact O-N 3.17Å; D355-R358 IonicContact OD1-CZ 2.69Å; D355-R358 IonicContact OD1-NH1 3.8Å; D355-R358 PolarHBondContact OD1-NH1 2.82Å; R358-S361 PolarHBondContact O-N 3.1Å; R358-R362 WeakPolarHBondContact O-CB 3.43Å; R358-R362 PolarHBondContact O-N 3.38Å |
| 359 | N | 95.9 | Very high | 95.1 | Very high | 71 Ų | 71 | 91.5 Ų | 91.5 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 178.4 | -163.2 | 16.2 | 0 | 0 | 0 | 111.5 | D355 A356 K357 R362 Q363 | D355-N359 WeakPolarHBondContact O-CB 3.37Å; D355-N359 PolarHBondContact O-N 3.08Å; A356-N359 PolarHBondContact O-N 3.11Å; K357-N359 VanDerWaalsContact C-N 3.33Å; K357-N359 PolarHBondContact O-N 3.18Å; N359-R362 PolarHBondContact O-N 3.43Å; N359-R362 PolarHBondContact OD1-NH2 2.95Å; N359-Q363 WeakPolarHBondContact O-CG 3.37Å; N359-Q363 PolarHBondContact O-N 2.96Å |
| 360 | L | 95.5 | Very high | 95.1 | Very high | 95 Ų | 95 | 91 Ų | 91 | 50% | 0.497 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.3 | -179.8 | 61.8 | 0 | 0 | 0 | 112 | A356 K357 R362 Q363 L364 | A356-L360 WeakPolarHBondContact O-CB 3.44Å; A356-L360 PolarHBondContact O-N 3.49Å; K357-L360 PolarHBondContact O-N 3.34Å; L360-R362 VanDerWaalsContact C-N 3.32Å; L360-R362 PolarHBondContact O-N 3.21Å; L360-Q363 PolarHBondContact O-N 2.73Å; L360-L364 HydrophobicContact CD1-CD1 4.32Å; L360-L364 HydrophobicContact CD1-CG 4.3Å; L360-L364 HydrophobicContact CG-CD1 4.1Å; L360-L364 WeakPolarHBondContact O-CB 3.47Å; L360-L364 WeakPolarHBondContact O-CG 3.49Å; L360-L364 PolarHBondContact O-N 2.85Å |
| 361 | S | 95.2 | Very high | 95.1 | Very high | 62 Ų | 62 | 90.3 Ų | 90.3 | 43% | 0.434 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 174.8 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | K357 R358 E365 | K357-S361 WeakPolarHBondContact O-CB 3.33Å; K357-S361 PolarHBondContact O-N 3.16Å; K357-S361 PolarHBondContact O-OG 3.33Å; R358-S361 PolarHBondContact O-N 3.1Å; S361-E365 VanDerWaalsContact O-CB 3.31Å; S361-E365 WeakPolarHBondContact O-CB 3.38Å; S361-E365 PolarHBondContact O-N 2.89Å |
| 362 | R | 94.5 | Very high | 95.2 | Very high | 152 Ų | 152 | 92 Ų | 92 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.3 | -36.7 | 174.8 | -173 | -170 | 63.9 | 79.8 | 6.9 | 112.4 | R358 N359 L360 S366 | R358-R362 WeakPolarHBondContact O-CB 3.43Å; R358-R362 PolarHBondContact O-N 3.38Å; N359-R362 PolarHBondContact O-N 3.43Å; N359-R362 PolarHBondContact OD1-NH2 2.95Å; L360-R362 VanDerWaalsContact C-N 3.32Å; L360-R362 PolarHBondContact O-N 3.21Å; R362-S366 WeakPolarHBondContact O-CB 3.46Å; R362-S366 PolarHBondContact O-N 3.26Å |
| 363 | Q | 97.4 | Very high | 95.1 | Very high | 91 Ų | 91 | 94.8 Ų | 94.8 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.6 | -45.8 | 174.3 | -74.2 | 173.1 | -3.5 | 0 | 0 | 111.5 | N359 L360 E365 S366 I367 | N359-Q363 WeakPolarHBondContact O-CG 3.37Å; N359-Q363 PolarHBondContact O-N 2.96Å; L360-Q363 PolarHBondContact O-N 2.73Å; Q363-E365 VanDerWaalsContact C-N 3.33Å; Q363-E365 PolarHBondContact O-N 2.92Å; Q363-S366 WeakPolarHBondContact O-CB 3.29Å; Q363-S366 PolarHBondContact O-N 3.04Å; Q363-I367 VanDerWaalsContact O-CG1 3.3Å; Q363-I367 WeakPolarHBondContact O-CG1 3.45Å; Q363-I367 PolarHBondContact O-N 3.27Å |
| 364 | L | 96.3 | Very high | 95 | Very high | 103 Ų | 103 | 95.5 Ų | 95.5 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 175.6 | -71.1 | 170.7 | 0 | 0 | 0 | 111.8 | L360 I367 R368 | L360-L364 HydrophobicContact CD1-CD1 4.32Å; L360-L364 HydrophobicContact CD1-CG 4.3Å; L360-L364 HydrophobicContact CG-CD1 4.1Å; L360-L364 WeakPolarHBondContact O-CB 3.47Å; L360-L364 WeakPolarHBondContact O-CG 3.49Å; L360-L364 PolarHBondContact O-N 2.85Å; L364-I367 PolarHBondContact O-N 3Å; L364-R368 WeakPolarHBondContact O-CB 3.23Å; L364-R368 PolarHBondContact O-N 2.89Å |
| 365 | E | 95.4 | Very high | 95 | Very high | 91 Ų | 91 | 99.4 Ų | 99.4 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 174.5 | -176.5 | 60.6 | -169.9 | 0 | 0 | 111.9 | S361 Q363 I367 R368 V369 | S361-E365 VanDerWaalsContact O-CB 3.31Å; S361-E365 WeakPolarHBondContact O-CB 3.38Å; S361-E365 PolarHBondContact O-N 2.89Å; Q363-E365 VanDerWaalsContact C-N 3.33Å; Q363-E365 PolarHBondContact O-N 2.92Å; E365-I367 VanDerWaalsContact C-N 3.35Å; E365-I367 PolarHBondContact O-N 2.87Å; E365-R368 VanDerWaalsContact CD-NE 3.34Å; E365-R368 WeakPolarHBondContact O-CB 3.44Å; E365-R368 PolarHBondContact O-N 3.1Å; E365-R368 IonicContact OE1-CZ 2.76Å; E365-R368 IonicContact OE1-NE 2.65Å; E365-R368 PolarHBondContact OE1-NE 3.35Å; E365-R368 IonicContact OE1-NH2 3.16Å; E365-R368 PolarHBondContact OE1-NH2 3.31Å; E365-R368 IonicContact OE2-CZ 3.7Å; E365-R368 IonicContact OE2-NE 2.65Å; E365-R368 PolarHBondContact OE2-NE 3.43Å; E365-R368 IonicContact OE2-NH2 2.66Å; E365-V369 WeakPolarHBondContact O-CG2 3.36Å; E365-V369 PolarHBondContact O-N 3.47Å |
| 366 | S | 95.5 | Very high | 95 | Very high | 71 Ų | 71 | 98.4 Ų | 98.4 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 173.2 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | R362 Q363 V369 D370 | R362-S366 WeakPolarHBondContact O-CB 3.46Å; R362-S366 PolarHBondContact O-N 3.26Å; Q363-S366 WeakPolarHBondContact O-CB 3.29Å; Q363-S366 PolarHBondContact O-N 3.04Å; S366-V369 PolarHBondContact O-N 3.44Å; S366-D370 VanDerWaalsContact O-CB 3.32Å; S366-D370 WeakPolarHBondContact O-CB 3.32Å; S366-D370 PolarHBondContact O-N 2.94Å |
| 367 | I | 95.6 | Very high | 94.9 | Very high | 93 Ų | 93 | 99.6 Ų | 99.6 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68 | -36.4 | 174.8 | -67.5 | 163.2 | 0 | 0 | 0 | 110.6 | Q363 L364 E365 M371 | Q363-I367 VanDerWaalsContact O-CG1 3.3Å; Q363-I367 WeakPolarHBondContact O-CG1 3.45Å; Q363-I367 PolarHBondContact O-N 3.27Å; L364-I367 PolarHBondContact O-N 3Å; E365-I367 VanDerWaalsContact C-N 3.35Å; E365-I367 PolarHBondContact O-N 2.87Å; I367-M371 WeakPolarHBondContact O-CB 3.43Å; I367-M371 PolarHBondContact O-N 3.43Å |
| 368 | R | 96.1 | Very high | 94.9 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 43% | 0.426 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 175.5 | -166.1 | -158 | 63 | 66.3 | -0.7 | 112 | L364 E365 V372 | L364-R368 WeakPolarHBondContact O-CB 3.23Å; L364-R368 PolarHBondContact O-N 2.89Å; E365-R368 VanDerWaalsContact CD-NE 3.34Å; E365-R368 WeakPolarHBondContact O-CB 3.44Å; E365-R368 PolarHBondContact O-N 3.1Å; E365-R368 IonicContact OE1-CZ 2.76Å; E365-R368 IonicContact OE1-NE 2.65Å; E365-R368 PolarHBondContact OE1-NE 3.35Å; E365-R368 IonicContact OE1-NH2 3.16Å; E365-R368 PolarHBondContact OE1-NH2 3.31Å; E365-R368 IonicContact OE2-CZ 3.7Å; E365-R368 IonicContact OE2-NE 2.65Å; E365-R368 PolarHBondContact OE2-NE 3.43Å; E365-R368 IonicContact OE2-NH2 2.66Å; R368-V372 WeakPolarHBondContact O-CG2 3.44Å; R368-V372 PolarHBondContact O-N 2.9Å; R368-V372 VanDerWaalsContact O-N 3.16Å |
| 369 | V | 95.5 | Very high | 94.9 | Very high | 67 Ų | 67 | 96.7 Ų | 96.7 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69 | -50.5 | 175.1 | 172 | 0 | 0 | 0 | 0 | 110.7 | E365 S366 M371 V372 E373 | E365-V369 WeakPolarHBondContact O-CG2 3.36Å; E365-V369 PolarHBondContact O-N 3.47Å; S366-V369 PolarHBondContact O-N 3.44Å; V369-M371 VanDerWaalsContact C-N 3.28Å; V369-M371 PolarHBondContact O-N 3.41Å; V369-V372 PolarHBondContact O-N 3.47Å; V369-E373 WeakPolarHBondContact O-CB 3.49Å; V369-E373 PolarHBondContact O-N 3.02Å |
| 370 | D | 96 | Very high | 94.8 | Very high | 59 Ų | 59 | 100.9 Ų | 100.9 | 32% | 0.316 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.6 | -39.7 | 174.9 | 172 | 45 | 0 | 0 | 0 | 112.3 | S366 R374 | S366-D370 VanDerWaalsContact O-CB 3.32Å; S366-D370 WeakPolarHBondContact O-CB 3.32Å; S366-D370 PolarHBondContact O-N 2.94Å; D370-R374 WeakPolarHBondContact O-CB 3.49Å; D370-R374 WeakPolarHBondContact O-CG 3.44Å; D370-R374 PolarHBondContact O-N 3.28Å; D370-R374 IonicContact OD1-CZ 2.66Å; D370-R374 VanDerWaalsContact OD1-CZ 3.24Å; D370-R374 IonicContact OD1-NE 3.38Å; D370-R374 PolarHBondContact OD1-NE 2.97Å; D370-R374 IonicContact OD1-NH2 2.78Å; D370-R374 PolarHBondContact OD1-NH2 2.97Å; D370-R374 IonicContact OD2-CZ 3.92Å; D370-R374 IonicContact OD2-NE 2.6Å; D370-R374 PolarHBondContact OD2-NE 3.5Å; D370-R374 IonicContact OD2-NH2 2.69Å; D370-R374 PolarHBondContact OD2-NH2 2.87Å |
| 371 | M | 95.5 | Very high | 94.6 | Very high | 116 Ų | 116 | 99 Ų | 99 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 173.7 | -174.1 | -167.7 | -49.8 | 0 | 0 | 112.5 | I367 V369 R374 E375 | I367-M371 WeakPolarHBondContact O-CB 3.43Å; I367-M371 PolarHBondContact O-N 3.43Å; V369-M371 VanDerWaalsContact C-N 3.28Å; V369-M371 PolarHBondContact O-N 3.41Å; M371-R374 PolarHBondContact O-N 2.72Å; M371-E375 WeakPolarHBondContact O-CB 3.27Å; M371-E375 PolarHBondContact O-N 2.95Å |
| 372 | V | 95.3 | Very high | 94.5 | Very high | 84 Ų | 84 | 99.3 Ų | 99.3 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.5 | -35.5 | 179 | 168.9 | 0 | 0 | 0 | 0 | 111.8 | R368 V369 E375 A376 | R368-V372 WeakPolarHBondContact O-CG2 3.44Å; R368-V372 PolarHBondContact O-N 2.9Å; R368-V372 VanDerWaalsContact O-N 3.16Å; V369-V372 PolarHBondContact O-N 3.47Å; V372-E375 PolarHBondContact O-N 2.72Å; V372-A376 PolarHBondContact O-N 2.86Å |
| 373 | E | 93.5 | Very high | 94.4 | Very high | 120 Ų | 120 | 94.5 Ų | 94.5 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.8 | -44.5 | 174.4 | -174.4 | 172.5 | -179.9 | 0 | 0 | 111.2 | V369 E375 A376 I377 | V369-E373 WeakPolarHBondContact O-CB 3.49Å; V369-E373 PolarHBondContact O-N 3.02Å; E373-E375 PolarHBondContact O-N 3.37Å; E373-A376 PolarHBondContact O-N 2.92Å; E373-I377 HydrophobicContact CG-CD1 4.21Å; E373-I377 VanDerWaalsContact O-CG1 3.3Å; E373-I377 WeakPolarHBondContact O-CG1 3.4Å; E373-I377 PolarHBondContact O-N 2.95Å |
| 374 | R | 92.1 | Very high | 94.2 | Very high | 138 Ų | 138 | 94.6 Ų | 94.6 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 172.1 | -72.1 | 175.2 | -158.5 | -153.8 | 9.1 | 112.6 | D370 M371 A376 I377 F378 | D370-R374 WeakPolarHBondContact O-CB 3.49Å; D370-R374 WeakPolarHBondContact O-CG 3.44Å; D370-R374 PolarHBondContact O-N 3.28Å; D370-R374 IonicContact OD1-CZ 2.66Å; D370-R374 VanDerWaalsContact OD1-CZ 3.24Å; D370-R374 IonicContact OD1-NE 3.38Å; D370-R374 PolarHBondContact OD1-NE 2.97Å; D370-R374 IonicContact OD1-NH2 2.78Å; D370-R374 PolarHBondContact OD1-NH2 2.97Å; D370-R374 IonicContact OD2-CZ 3.92Å; D370-R374 IonicContact OD2-NE 2.6Å; D370-R374 PolarHBondContact OD2-NE 3.5Å; D370-R374 IonicContact OD2-NH2 2.69Å; D370-R374 PolarHBondContact OD2-NH2 2.87Å; M371-R374 PolarHBondContact O-N 2.72Å; R374-A376 VanDerWaalsContact C-N 3.35Å; R374-I377 CarbonylContact O-C 3.58Å; R374-I377 PolarHBondContact O-N 2.9Å; R374-F378 HydrophobicContact CB-CD2 4.4Å; R374-F378 HydrophobicContact CB-CE2 4.27Å; R374-F378 WeakPolarHBondContact O-CD2 3.31Å; R374-F378 WeakPolarHBondContact O-CG 3.44Å; R374-F378 PolarHBondContact O-N 3.31Å |
| 375 | E | 92.7 | Very high | 93.9 | Very high | 116 Ų | 116 | 98 Ų | 98 | 54% | 0.542 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.8 | -161.7 | 73.8 | 167.1 | 0 | 0 | 111.1 | M371 V372 E373 I377 F378 E379 | M371-E375 WeakPolarHBondContact O-CB 3.27Å; M371-E375 PolarHBondContact O-N 2.95Å; V372-E375 PolarHBondContact O-N 2.72Å; E373-E375 PolarHBondContact O-N 3.37Å; E375-I377 VanDerWaalsContact C-N 3.32Å; E375-I377 PolarHBondContact O-N 3.02Å; E375-F378 PolarHBondContact O-N 3.34Å; E375-E379 PolarHBondContact O-N 3.22Å |
| 376 | A | 92.8 | Very high | 93.8 | Very high | 64 Ų | 64 | 96.1 Ų | 96.1 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -34.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | V372 E373 R374 R380 | V372-A376 PolarHBondContact O-N 2.86Å; E373-A376 PolarHBondContact O-N 2.92Å; R374-A376 VanDerWaalsContact C-N 3.35Å; A376-R380 PolarHBondContact O-N 3.28Å; A376-R380 VanDerWaalsContact O-N 3.1Å |
| 377 | I | 93.8 | Very high | 93.6 | Very high | 81 Ų | 81 | 98.1 Ų | 98.1 | 42% | 0.415 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.2 | -41.8 | 172.5 | -68.9 | 163.9 | 0 | 0 | 0 | 110.8 | E373 R374 E375 R380 I381 | E373-I377 HydrophobicContact CG-CD1 4.21Å; E373-I377 VanDerWaalsContact O-CG1 3.3Å; E373-I377 WeakPolarHBondContact O-CG1 3.4Å; E373-I377 PolarHBondContact O-N 2.95Å; R374-I377 CarbonylContact O-C 3.58Å; R374-I377 PolarHBondContact O-N 2.9Å; E375-I377 VanDerWaalsContact C-N 3.32Å; E375-I377 PolarHBondContact O-N 3.02Å; I377-R380 PolarHBondContact O-N 2.91Å; I377-I381 HydrophobicContact CG2-CD1 3.81Å; I377-I381 VanDerWaalsContact O-CG1 3.29Å; I377-I381 WeakPolarHBondContact O-CG1 3.36Å; I377-I381 PolarHBondContact O-N 3.16Å |
| 378 | F | 94.3 | Very high | 93.5 | Very high | 122 Ų | 122 | 100.8 Ų | 100.8 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 176.1 | -77.4 | -55.5 | 0 | 0 | 0 | 111.7 | R374 E375 R380 I381 T382 | R374-F378 HydrophobicContact CB-CD2 4.4Å; R374-F378 HydrophobicContact CB-CE2 4.27Å; R374-F378 WeakPolarHBondContact O-CD2 3.31Å; R374-F378 WeakPolarHBondContact O-CG 3.44Å; R374-F378 PolarHBondContact O-N 3.31Å; E375-F378 PolarHBondContact O-N 3.34Å; F378-R380 VanDerWaalsContact C-N 3.29Å; F378-R380 PolarHBondContact O-N 3.16Å; F378-I381 CarbonylContact O-C 3.57Å; F378-I381 PolarHBondContact O-N 2.9Å; F378-I381 VanDerWaalsContact O-N 3.08Å; F378-T382 WeakPolarHBondContact O-CG2 3.49Å; F378-T382 PolarHBondContact O-N 3.04Å; F378-T382 PolarHBondContact O-OG1 3.2Å |
| 379 | E | 93.3 | Very high | 93.3 | Very high | 122 Ų | 122 | 100.4 Ų | 100.4 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.9 | -27.9 | 176.7 | -72.9 | -72.8 | -151.7 | 0 | 0 | 113.1 | E375 T382 A383 | E375-E379 PolarHBondContact O-N 3.22Å; E379-T382 VanDerWaalsContact CA-OG1 3.26Å; E379-T382 WeakPolarHBondContact CA-OG1 3.35Å; E379-T382 PolarHBondContact O-OG1 3.39Å; E379-T382 PolarHBondContact OE2-OG1 2.82Å; E379-A383 WeakPolarHBondContact O-CB 3.42Å; E379-A383 PolarHBondContact O-N 3.4Å; E379-A383 VanDerWaalsContact O-N 3.14Å |
| 380 | R | 94.1 | Very high | 93.2 | Very high | 159 Ų | 159 | 101.5 Ų | 101.5 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.8 | -41.2 | 167.9 | -173 | 158.9 | 73.4 | 102.5 | -10.9 | 111.7 | A376 I377 F378 A383 E384 | A376-R380 PolarHBondContact O-N 3.28Å; A376-R380 VanDerWaalsContact O-N 3.1Å; I377-R380 PolarHBondContact O-N 2.91Å; F378-R380 VanDerWaalsContact C-N 3.29Å; F378-R380 PolarHBondContact O-N 3.16Å; R380-A383 PolarHBondContact O-N 3.47Å; R380-E384 HydrophobicContact CG-CG 4.3Å; R380-E384 VanDerWaalsContact CG-OE1 3.22Å; R380-E384 WeakPolarHBondContact CG-OE1 3.44Å; R380-E384 IonicContact CZ-OE1 2.69Å; R380-E384 IonicContact NE-OE1 2.79Å; R380-E384 IonicContact NH1-OE1 3.8Å; R380-E384 PolarHBondContact NH1-OE1 2.86Å; R380-E384 WeakPolarHBondContact O-CB 3.37Å; R380-E384 VanDerWaalsContact O-CG 3.27Å; R380-E384 WeakPolarHBondContact O-CG 3.35Å; R380-E384 PolarHBondContact O-N 3.38Å |
| 381 | I | 91.9 | Very high | 93.2 | Very high | 56 Ų | 56 | 102.6 Ų | 102.6 | 29% | 0.287 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -35.3 | 177.4 | -69.5 | 166.4 | 0 | 0 | 0 | 112.1 | I377 F378 R385 | I377-I381 HydrophobicContact CG2-CD1 3.81Å; I377-I381 VanDerWaalsContact O-CG1 3.29Å; I377-I381 WeakPolarHBondContact O-CG1 3.36Å; I377-I381 PolarHBondContact O-N 3.16Å; F378-I381 CarbonylContact O-C 3.57Å; F378-I381 PolarHBondContact O-N 2.9Å; F378-I381 VanDerWaalsContact O-N 3.08Å; I381-R385 HydrophobicContact CG2-CG 4.46Å; I381-R385 VanDerWaalsContact O-CB 3.27Å; I381-R385 WeakPolarHBondContact O-CB 3.27Å; I381-R385 WeakPolarHBondContact O-CD 3.36Å; I381-R385 WeakPolarHBondContact O-CG 3.42Å; I381-R385 PolarHBondContact O-N 2.87Å |
| 382 | T | 92.5 | Very high | 92.9 | Very high | 68 Ų | 68 | 100.1 Ų | 100.1 | 42% | 0.417 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 173.8 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | F378 E379 R385 A386 | F378-T382 WeakPolarHBondContact O-CG2 3.49Å; F378-T382 PolarHBondContact O-N 3.04Å; F378-T382 PolarHBondContact O-OG1 3.2Å; E379-T382 VanDerWaalsContact CA-OG1 3.26Å; E379-T382 WeakPolarHBondContact CA-OG1 3.35Å; E379-T382 PolarHBondContact O-OG1 3.39Å; E379-T382 PolarHBondContact OE2-OG1 2.82Å; T382-R385 PolarHBondContact O-N 3.26Å; T382-A386 WeakPolarHBondContact O-CB 3.48Å; T382-A386 PolarHBondContact O-N 3.44Å |
| 383 | A | 92.4 | Very high | 92.8 | Very high | 50 Ų | 50 | 101.9 Ų | 101.9 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E379 R380 R385 A386 L387 | E379-A383 WeakPolarHBondContact O-CB 3.42Å; E379-A383 PolarHBondContact O-N 3.4Å; E379-A383 VanDerWaalsContact O-N 3.14Å; R380-A383 PolarHBondContact O-N 3.47Å; A383-R385 VanDerWaalsContact C-N 3.32Å; A383-R385 PolarHBondContact O-N 3.42Å; A383-A386 PolarHBondContact O-N 3.13Å; A383-L387 WeakPolarHBondContact O-CG 3.31Å; A383-L387 PolarHBondContact O-N 2.93Å |
| 384 | E | 92.8 | Very high | 92.9 | Very high | 94 Ų | 94 | 101.1 Ų | 101.1 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 176.4 | -74.2 | 170.4 | -173.1 | 0 | 0 | 111.6 | R380 F388 | R380-E384 HydrophobicContact CG-CG 4.3Å; R380-E384 VanDerWaalsContact CG-OE1 3.22Å; R380-E384 WeakPolarHBondContact CG-OE1 3.44Å; R380-E384 IonicContact CZ-OE1 2.69Å; R380-E384 IonicContact NE-OE1 2.79Å; R380-E384 IonicContact NH1-OE1 3.8Å; R380-E384 PolarHBondContact NH1-OE1 2.86Å; R380-E384 WeakPolarHBondContact O-CB 3.37Å; R380-E384 VanDerWaalsContact O-CG 3.27Å; R380-E384 WeakPolarHBondContact O-CG 3.35Å; R380-E384 PolarHBondContact O-N 3.38Å; E384-F388 WeakPolarHBondContact O-CB 3.17Å; E384-F388 PolarHBondContact O-N 3.14Å |
| 385 | R | 91.4 | Very high | 92.9 | Very high | 173 Ų | 173 | 102.1 Ų | 102.1 | 65% | 0.653 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 173 | -77.3 | 170.3 | 178.4 | -176.9 | 0.4 | 113 | I381 T382 A383 L387 F388 E389 | I381-R385 HydrophobicContact CG2-CG 4.46Å; I381-R385 VanDerWaalsContact O-CB 3.27Å; I381-R385 WeakPolarHBondContact O-CB 3.27Å; I381-R385 WeakPolarHBondContact O-CD 3.36Å; I381-R385 WeakPolarHBondContact O-CG 3.42Å; I381-R385 PolarHBondContact O-N 2.87Å; T382-R385 PolarHBondContact O-N 3.26Å; A383-R385 VanDerWaalsContact C-N 3.32Å; A383-R385 PolarHBondContact O-N 3.42Å; R385-L387 VanDerWaalsContact C-N 3.33Å; R385-L387 PolarHBondContact O-N 3.2Å; R385-F388 PolarHBondContact O-N 2.86Å; R385-E389 WeakPolarHBondContact O-CB 3.48Å; R385-E389 PolarHBondContact O-N 2.67Å |
| 386 | A | 91.9 | Very high | 92.8 | Very high | 53 Ų | 53 | 98.9 Ų | 98.9 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T382 A383 N390 | T382-A386 WeakPolarHBondContact O-CB 3.48Å; T382-A386 PolarHBondContact O-N 3.44Å; A383-A386 PolarHBondContact O-N 3.13Å; A386-N390 WeakPolarHBondContact O-CB 3.5Å; A386-N390 PolarHBondContact O-N 3.37Å |
| 387 | L | 92.7 | Very high | 92.8 | Very high | 112 Ų | 112 | 99.5 Ų | 99.5 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -45.8 | 172.1 | -70.1 | 171.1 | 0 | 0 | 0 | 111.6 | A383 R385 E389 N390 I391 | A383-L387 WeakPolarHBondContact O-CG 3.31Å; A383-L387 PolarHBondContact O-N 2.93Å; R385-L387 VanDerWaalsContact C-N 3.33Å; R385-L387 PolarHBondContact O-N 3.2Å; L387-E389 PolarHBondContact O-N 2.83Å; L387-N390 WeakPolarHBondContact O-CB 3.3Å; L387-N390 PolarHBondContact O-N 2.89Å; L387-I391 WeakPolarHBondContact O-CG1 3.26Å; L387-I391 PolarHBondContact O-N 2.9Å |
| 388 | F | 92.9 | Very high | 92.9 | Very high | 149 Ų | 149 | 99.7 Ų | 99.7 | 65% | 0.654 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.9 | -41.1 | 176.3 | -176.6 | -94.5 | 0 | 0 | 0 | 112.5 | E384 R385 N390 I391 S392 | E384-F388 WeakPolarHBondContact O-CB 3.17Å; E384-F388 PolarHBondContact O-N 3.14Å; R385-F388 PolarHBondContact O-N 2.86Å; F388-N390 VanDerWaalsContact C-N 3.31Å; F388-N390 PolarHBondContact O-N 3.27Å; F388-I391 PolarHBondContact O-N 3.1Å; F388-S392 VanDerWaalsContact O-CB 3.27Å; F388-S392 WeakPolarHBondContact O-CB 3.36Å; F388-S392 PolarHBondContact O-N 2.81Å |
| 389 | E | 92.2 | Very high | 92.8 | Very high | 105 Ų | 105 | 98.4 Ų | 98.4 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -33.9 | 174.3 | -167.2 | -162.6 | 130.2 | 0 | 0 | 111.8 | R385 L387 R393 | R385-E389 WeakPolarHBondContact O-CB 3.48Å; R385-E389 PolarHBondContact O-N 2.67Å; L387-E389 PolarHBondContact O-N 2.83Å; E389-R393 VanDerWaalsContact CD-NH2 3.32Å; E389-R393 WeakPolarHBondContact O-CB 3.3Å; E389-R393 WeakPolarHBondContact O-CG 3.39Å; E389-R393 PolarHBondContact O-N 3.2Å; E389-R393 PolarHBondContact O-NE 3.48Å; E389-R393 VanDerWaalsContact O-NE 3.09Å; E389-R393 IonicContact OE1-CZ 2.65Å; E389-R393 IonicContact OE1-NE 2.86Å; E389-R393 IonicContact OE1-NH1 3.21Å; E389-R393 PolarHBondContact OE1-NH1 2.98Å; E389-R393 IonicContact OE1-NH2 3.42Å; E389-R393 PolarHBondContact OE1-NH2 3.14Å |
| 390 | N | 93.1 | Very high | 92.7 | Very high | 91 Ų | 91 | 98.8 Ų | 98.8 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.4 | -48.1 | 173.9 | -162.5 | 38.6 | 0 | 0 | 0 | 111.4 | A386 L387 F388 S392 R393 Q394 | A386-N390 WeakPolarHBondContact O-CB 3.5Å; A386-N390 PolarHBondContact O-N 3.37Å; L387-N390 WeakPolarHBondContact O-CB 3.3Å; L387-N390 PolarHBondContact O-N 2.89Å; F388-N390 VanDerWaalsContact C-N 3.31Å; F388-N390 PolarHBondContact O-N 3.27Å; N390-S392 VanDerWaalsContact C-N 3.29Å; N390-S392 PolarHBondContact O-N 3.34Å; N390-R393 PolarHBondContact O-N 3.05Å; N390-R393 VanDerWaalsContact O-N 3.17Å; N390-Q394 WeakPolarHBondContact O-CB 3.43Å; N390-Q394 PolarHBondContact O-N 2.84Å |
| 391 | I | 94.9 | Very high | 92.7 | Very high | 81 Ų | 81 | 96.1 Ų | 96.1 | 42% | 0.415 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 174.9 | -66.2 | 164.4 | 0 | 0 | 0 | 111 | L387 F388 R395 | L387-I391 WeakPolarHBondContact O-CG1 3.26Å; L387-I391 PolarHBondContact O-N 2.9Å; F388-I391 PolarHBondContact O-N 3.1Å; I391-R395 WeakPolarHBondContact O-CB 3.44Å; I391-R395 WeakPolarHBondContact O-CG 3.47Å; I391-R395 PolarHBondContact O-N 3.22Å |
| 392 | S | 90.7 | Very high | 92.7 | Very high | 65 Ų | 65 | 98.2 Ų | 98.2 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.6 | -31.7 | 177.2 | -169.5 | 0 | 0 | 0 | 0 | 112.9 | F388 N390 A396 | F388-S392 VanDerWaalsContact O-CB 3.27Å; F388-S392 WeakPolarHBondContact O-CB 3.36Å; F388-S392 PolarHBondContact O-N 2.81Å; N390-S392 VanDerWaalsContact C-N 3.29Å; N390-S392 PolarHBondContact O-N 3.34Å; S392-A396 WeakPolarHBondContact O-CB 3.39Å; S392-A396 PolarHBondContact O-N 3.43Å; S392-A396 VanDerWaalsContact O-N 3.16Å |
| 393 | R | 92.8 | Very high | 92.8 | Very high | 120 Ų | 120 | 100.7 Ų | 100.7 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71 | -50.5 | 171.3 | -81.5 | 175.9 | -73 | -161.4 | -10.6 | 111.1 | E389 N390 R395 A396 D397 | E389-R393 VanDerWaalsContact CD-NH2 3.32Å; E389-R393 WeakPolarHBondContact O-CB 3.3Å; E389-R393 WeakPolarHBondContact O-CG 3.39Å; E389-R393 PolarHBondContact O-N 3.2Å; E389-R393 PolarHBondContact O-NE 3.48Å; E389-R393 VanDerWaalsContact O-NE 3.09Å; E389-R393 IonicContact OE1-CZ 2.65Å; E389-R393 IonicContact OE1-NE 2.86Å; E389-R393 IonicContact OE1-NH1 3.21Å; E389-R393 PolarHBondContact OE1-NH1 2.98Å; E389-R393 IonicContact OE1-NH2 3.42Å; E389-R393 PolarHBondContact OE1-NH2 3.14Å; N390-R393 PolarHBondContact O-N 3.05Å; N390-R393 VanDerWaalsContact O-N 3.17Å; R393-R395 VanDerWaalsContact C-N 3.3Å; R393-R395 PolarHBondContact O-N 2.87Å; R393-A396 CarbonylContact O-C 3.48Å; R393-A396 WeakPolarHBondContact O-CA 3.45Å; R393-A396 WeakPolarHBondContact O-CB 3.49Å; R393-A396 PolarHBondContact O-N 3.44Å; R393-D397 PolarHBondContact O-N 2.89Å |
| 394 | Q | 94.7 | Very high | 92.7 | Very high | 104 Ų | 104 | 101.4 Ų | 101.4 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -51.4 | -49.5 | 175.4 | -177.2 | -173.7 | -25.7 | 0 | 0 | 111.2 | N390 A396 D397 E398 | N390-Q394 WeakPolarHBondContact O-CB 3.43Å; N390-Q394 PolarHBondContact O-N 2.84Å; Q394-A396 VanDerWaalsContact C-N 3.32Å; Q394-A396 PolarHBondContact O-N 3.35Å; Q394-D397 PolarHBondContact O-N 3.28Å; Q394-D397 VanDerWaalsContact O-N 3.13Å; Q394-E398 HydrophobicContact CG-CG 4.44Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.33Å; Q394-E398 PolarHBondContact NE2-OE1 2.92Å; Q394-E398 WeakPolarHBondContact O-CB 3.47Å; Q394-E398 VanDerWaalsContact O-CG 3.31Å; Q394-E398 WeakPolarHBondContact O-CG 3.43Å; Q394-E398 PolarHBondContact O-N 3.46Å |
| 395 | R | 92.5 | Very high | 92.8 | Very high | 160 Ų | 160 | 100.5 Ų | 100.5 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.4 | -33.6 | 176 | -74.2 | 179.7 | 175.8 | -167.2 | -0.7 | 113.7 | I391 R393 D397 I399 | I391-R395 WeakPolarHBondContact O-CB 3.44Å; I391-R395 WeakPolarHBondContact O-CG 3.47Å; I391-R395 PolarHBondContact O-N 3.22Å; R393-R395 VanDerWaalsContact C-N 3.3Å; R393-R395 PolarHBondContact O-N 2.87Å; R395-D397 VanDerWaalsContact C-N 3.34Å; R395-I399 VanDerWaalsContact O-CB 3.3Å; R395-I399 WeakPolarHBondContact O-CB 3.46Å; R395-I399 WeakPolarHBondContact O-CD1 3.43Å; R395-I399 WeakPolarHBondContact O-CG1 3.29Å; R395-I399 PolarHBondContact O-N 2.91Å |
| 396 | A | 91.2 | Very high | 92.9 | Very high | 48 Ų | 48 | 95.9 Ų | 95.9 | 40% | 0.397 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -74 | -25.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S392 R393 Q394 R400 | S392-A396 WeakPolarHBondContact O-CB 3.39Å; S392-A396 PolarHBondContact O-N 3.43Å; S392-A396 VanDerWaalsContact O-N 3.16Å; R393-A396 CarbonylContact O-C 3.48Å; R393-A396 WeakPolarHBondContact O-CA 3.45Å; R393-A396 WeakPolarHBondContact O-CB 3.49Å; R393-A396 PolarHBondContact O-N 3.44Å; Q394-A396 VanDerWaalsContact C-N 3.32Å; Q394-A396 PolarHBondContact O-N 3.35Å; A396-R400 WeakPolarHBondContact O-CB 3.44Å; A396-R400 PolarHBondContact O-N 2.83Å; A396-R400 PolarHBondContact O-NH2 3.04Å |
| 397 | D | 93.2 | Very high | 92.9 | Very high | 77 Ų | 77 | 96 Ų | 96 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -77.8 | -44.9 | 170.7 | -64.4 | -39.6 | 0 | 0 | 0 | 110.8 | R393 Q394 R395 I399 R400 E401 | R393-D397 PolarHBondContact O-N 2.89Å; Q394-D397 PolarHBondContact O-N 3.28Å; Q394-D397 VanDerWaalsContact O-N 3.13Å; R395-D397 VanDerWaalsContact C-N 3.34Å; D397-I399 PolarHBondContact O-N 2.86Å; D397-R400 WeakPolarHBondContact O-CB 3.47Å; D397-R400 PolarHBondContact O-N 2.99Å; D397-R400 VanDerWaalsContact O-N 3.11Å; D397-R400 IonicContact OD1-CZ 3.4Å; D397-R400 IonicContact OD1-NH1 3.69Å; D397-R400 PolarHBondContact OD1-NH1 2.75Å; D397-R400 IonicContact OD1-NH2 2.67Å; D397-R400 PolarHBondContact OD1-NH2 3.31Å; D397-E401 PolarHBondContact O-N 2.9Å |
| 398 | E | 94.3 | Very high | 93 | Very high | 85 Ų | 85 | 94.5 Ų | 94.5 | 40% | 0.397 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 172.6 | -72 | 165.4 | 177.2 | 0 | 0 | 112 | Q394 R400 E401 L402 | Q394-E398 HydrophobicContact CG-CG 4.44Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.33Å; Q394-E398 PolarHBondContact NE2-OE1 2.92Å; Q394-E398 WeakPolarHBondContact O-CB 3.47Å; Q394-E398 VanDerWaalsContact O-CG 3.31Å; Q394-E398 WeakPolarHBondContact O-CG 3.43Å; Q394-E398 PolarHBondContact O-N 3.46Å; E398-R400 VanDerWaalsContact C-N 3.3Å; E398-R400 PolarHBondContact O-N 3.38Å; E398-E401 PolarHBondContact O-N 2.91Å; E398-L402 WeakPolarHBondContact O-CB 3.5Å; E398-L402 VanDerWaalsContact O-CG 3.31Å; E398-L402 WeakPolarHBondContact O-CG 3.47Å; E398-L402 PolarHBondContact O-N 3.23Å |
| 399 | I | 93 | Very high | 93 | Very high | 94 Ų | 94 | 93.5 Ų | 93.5 | 48% | 0.482 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.6 | -36.7 | 175.5 | -73.3 | 165.7 | 0 | 0 | 0 | 111.2 | R395 D397 Q403 | R395-I399 VanDerWaalsContact O-CB 3.3Å; R395-I399 WeakPolarHBondContact O-CB 3.46Å; R395-I399 WeakPolarHBondContact O-CD1 3.43Å; R395-I399 WeakPolarHBondContact O-CG1 3.29Å; R395-I399 PolarHBondContact O-N 2.91Å; D397-I399 PolarHBondContact O-N 2.86Å; I399-Q403 WeakPolarHBondContact O-CB 3.45Å; I399-Q403 VanDerWaalsContact O-CG 3.22Å; I399-Q403 WeakPolarHBondContact O-CG 3.44Å; I399-Q403 PolarHBondContact O-N 3.35Å |
| 400 | R | 92.4 | Very high | 93.1 | Very high | 131 Ų | 131 | 94.5 Ų | 94.5 | 49% | 0.494 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.7 | -43.5 | 177.6 | -166.8 | -171.9 | -47.2 | 114.9 | 21.4 | 111.4 | A396 D397 E398 Q403 T404 | A396-R400 WeakPolarHBondContact O-CB 3.44Å; A396-R400 PolarHBondContact O-N 2.83Å; A396-R400 PolarHBondContact O-NH2 3.04Å; D397-R400 WeakPolarHBondContact O-CB 3.47Å; D397-R400 PolarHBondContact O-N 2.99Å; D397-R400 VanDerWaalsContact O-N 3.11Å; D397-R400 IonicContact OD1-CZ 3.4Å; D397-R400 IonicContact OD1-NH1 3.69Å; D397-R400 PolarHBondContact OD1-NH1 2.75Å; D397-R400 IonicContact OD1-NH2 2.67Å; D397-R400 PolarHBondContact OD1-NH2 3.31Å; E398-R400 VanDerWaalsContact C-N 3.3Å; E398-R400 PolarHBondContact O-N 3.38Å; R400-Q403 WeakPolarHBondContact O-CB 3.19Å; R400-Q403 PolarHBondContact O-N 3.08Å; R400-T404 PolarHBondContact O-N 3.14Å; R400-T404 PolarHBondContact O-OG1 3.2Å; R400-T404 VanDerWaalsContact O-OG1 3.08Å |
| 401 | E | 92.5 | Very high | 93.1 | Very high | 102 Ų | 102 | 95.8 Ų | 95.8 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 175.9 | 179.4 | 54.3 | -140.1 | 0 | 0 | 111 | D397 E398 Q403 T404 Q405 | D397-E401 PolarHBondContact O-N 2.9Å; E398-E401 PolarHBondContact O-N 2.91Å; E401-Q403 VanDerWaalsContact C-N 3.34Å; E401-Q403 PolarHBondContact O-N 3.02Å; E401-T404 WeakPolarHBondContact CA-OG1 3.32Å; E401-T404 PolarHBondContact O-N 3.27Å; E401-T404 PolarHBondContact O-OG1 3.05Å; E401-Q405 WeakPolarHBondContact O-CG 3.42Å; E401-Q405 PolarHBondContact O-N 3.04Å; E401-Q405 PolarHBondContact OE1-NE2 2.97Å |
| 402 | L | 92.7 | Very high | 93 | Very high | 101 Ų | 101 | 97.4 Ų | 97.4 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 173.2 | -71.3 | 170.3 | 0 | 0 | 0 | 112.4 | E398 Q405 V406 | E398-L402 WeakPolarHBondContact O-CB 3.5Å; E398-L402 VanDerWaalsContact O-CG 3.31Å; E398-L402 WeakPolarHBondContact O-CG 3.47Å; E398-L402 PolarHBondContact O-N 3.23Å; L402-Q405 PolarHBondContact O-N 2.96Å; L402-V406 WeakPolarHBondContact O-CB 3.24Å; L402-V406 VanDerWaalsContact O-CG2 3.29Å; L402-V406 WeakPolarHBondContact O-CG2 3.41Å; L402-V406 PolarHBondContact O-N 2.89Å |
| 403 | Q | 93.3 | Very high | 93.1 | Very high | 119 Ų | 119 | 98.8 Ų | 98.8 | 56% | 0.556 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.3 | -38.5 | 174.1 | -78.6 | 171.5 | -7.6 | 0 | 0 | 112.4 | I399 R400 E401 S407 | I399-Q403 WeakPolarHBondContact O-CB 3.45Å; I399-Q403 VanDerWaalsContact O-CG 3.22Å; I399-Q403 WeakPolarHBondContact O-CG 3.44Å; I399-Q403 PolarHBondContact O-N 3.35Å; R400-Q403 WeakPolarHBondContact O-CB 3.19Å; R400-Q403 PolarHBondContact O-N 3.08Å; E401-Q403 VanDerWaalsContact C-N 3.34Å; E401-Q403 PolarHBondContact O-N 3.02Å; Q403-S407 WeakPolarHBondContact O-CB 3.33Å; Q403-S407 PolarHBondContact O-N 3.34Å; Q403-S407 PolarHBondContact O-OG 3.48Å |
| 404 | T | 92.2 | Very high | 93.1 | Very high | 65 Ų | 65 | 98.9 Ų | 98.9 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 173.4 | 39 | 0 | 0 | 0 | 0 | 112.3 | R400 E401 S407 N408 | R400-T404 PolarHBondContact O-N 3.14Å; R400-T404 PolarHBondContact O-OG1 3.2Å; R400-T404 VanDerWaalsContact O-OG1 3.08Å; E401-T404 WeakPolarHBondContact CA-OG1 3.32Å; E401-T404 PolarHBondContact O-N 3.27Å; E401-T404 PolarHBondContact O-OG1 3.05Å; T404-S407 PolarHBondContact O-N 2.86Å; T404-N408 VanDerWaalsContact O-CG 3.25Å; T404-N408 PolarHBondContact O-N 2.91Å; T404-N408 PolarHBondContact O-OD1 2.84Å |
| 405 | Q | 95 | Very high | 93.1 | Very high | 75 Ų | 75 | 96.6 Ų | 96.6 | 35% | 0.35 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 174.2 | -70.7 | 175.2 | 18.9 | 0 | 0 | 112 | E401 L402 S407 N408 F409 | E401-Q405 WeakPolarHBondContact O-CG 3.42Å; E401-Q405 PolarHBondContact O-N 3.04Å; E401-Q405 PolarHBondContact OE1-NE2 2.97Å; L402-Q405 PolarHBondContact O-N 2.96Å; Q405-S407 VanDerWaalsContact C-N 3.29Å; Q405-S407 PolarHBondContact O-N 3.2Å; Q405-N408 PolarHBondContact O-N 3.22Å; Q405-F409 HydrophobicContact CB-CE2 4.29Å; Q405-F409 WeakPolarHBondContact O-CD2 3.43Å; Q405-F409 WeakPolarHBondContact O-CG 3.34Å; Q405-F409 PolarHBondContact O-N 3.23Å |
| 406 | V | 92.6 | Very high | 92.9 | Very high | 77 Ų | 77 | 92.3 Ų | 92.3 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 174.3 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | L402 F409 Q410 | L402-V406 WeakPolarHBondContact O-CB 3.24Å; L402-V406 VanDerWaalsContact O-CG2 3.29Å; L402-V406 WeakPolarHBondContact O-CG2 3.41Å; L402-V406 PolarHBondContact O-N 2.89Å; V406-F409 PolarHBondContact O-N 2.9Å; V406-Q410 WeakPolarHBondContact O-CB 3.48Å; V406-Q410 VanDerWaalsContact O-CG 3.28Å; V406-Q410 WeakPolarHBondContact O-CG 3.4Å; V406-Q410 PolarHBondContact O-N 3.12Å |
| 407 | S | 92.9 | Very high | 93 | Very high | 56 Ų | 56 | 95 Ų | 95 | 39% | 0.392 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 176 | -59 | 0 | 0 | 0 | 0 | 111.9 | Q403 T404 Q405 Q410 M411 | Q403-S407 WeakPolarHBondContact O-CB 3.33Å; Q403-S407 PolarHBondContact O-N 3.34Å; Q403-S407 PolarHBondContact O-OG 3.48Å; T404-S407 PolarHBondContact O-N 2.86Å; Q405-S407 VanDerWaalsContact C-N 3.29Å; Q405-S407 PolarHBondContact O-N 3.2Å; S407-Q410 PolarHBondContact O-N 3.37Å; S407-M411 WeakPolarHBondContact O-CG 3.35Å; S407-M411 PolarHBondContact O-N 2.69Å; S407-M411 VanDerWaalsContact O-N 3.08Å |
| 408 | N | 93.2 | Very high | 93 | Very high | 79 Ų | 79 | 96.6 Ų | 96.6 | 42% | 0.422 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -49 | 173.9 | -68.3 | -13.1 | 0 | 0 | 0 | 111.3 | T404 Q405 Q410 M411 E412 | T404-N408 VanDerWaalsContact O-CG 3.25Å; T404-N408 PolarHBondContact O-N 2.91Å; T404-N408 PolarHBondContact O-OD1 2.84Å; Q405-N408 PolarHBondContact O-N 3.22Å; N408-Q410 VanDerWaalsContact C-N 3.26Å; N408-Q410 PolarHBondContact O-N 3.47Å; N408-M411 PolarHBondContact O-N 2.91Å; N408-M411 WeakPolarHBondContact OD1-CE 3.12Å; N408-E412 WeakPolarHBondContact O-CG 3.46Å; N408-E412 PolarHBondContact O-N 2.92Å |
| 409 | F | 94.5 | Very high | 92.9 | Very high | 128 Ų | 128 | 96.9 Ų | 96.9 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.3 | -32.1 | 176 | -65.8 | -46.2 | 0 | 0 | 0 | 112.9 | Q405 V406 L413 | Q405-F409 HydrophobicContact CB-CE2 4.29Å; Q405-F409 WeakPolarHBondContact O-CD2 3.43Å; Q405-F409 WeakPolarHBondContact O-CG 3.34Å; Q405-F409 PolarHBondContact O-N 3.23Å; V406-F409 PolarHBondContact O-N 2.9Å; F409-L413 WeakPolarHBondContact O-CB 3.49Å; F409-L413 PolarHBondContact O-N 3.3Å |
| 410 | Q | 93.7 | Very high | 92.9 | Very high | 127 Ų | 127 | 97.3 Ų | 97.3 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.8 | -37.5 | 172.2 | -77.2 | 174.9 | -0 | 0 | 0 | 112.6 | V406 S407 N408 K414 | V406-Q410 WeakPolarHBondContact O-CB 3.48Å; V406-Q410 VanDerWaalsContact O-CG 3.28Å; V406-Q410 WeakPolarHBondContact O-CG 3.4Å; V406-Q410 PolarHBondContact O-N 3.12Å; S407-Q410 PolarHBondContact O-N 3.37Å; N408-Q410 VanDerWaalsContact C-N 3.26Å; N408-Q410 PolarHBondContact O-N 3.47Å; Q410-K414 WeakPolarHBondContact O-CB 3.22Å; Q410-K414 PolarHBondContact O-N 2.98Å; Q410-K414 VanDerWaalsContact O-N 3.07Å |
| 411 | M | 91.9 | Very high | 92.9 | Very high | 118 Ų | 118 | 94.9 Ų | 94.9 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.7 | -41.4 | 174 | -69 | -174.7 | -66.4 | 0 | 0 | 112.1 | S407 N408 K414 A415 | S407-M411 WeakPolarHBondContact O-CG 3.35Å; S407-M411 PolarHBondContact O-N 2.69Å; S407-M411 VanDerWaalsContact O-N 3.08Å; N408-M411 PolarHBondContact O-N 2.91Å; N408-M411 WeakPolarHBondContact OD1-CE 3.12Å; M411-K414 PolarHBondContact O-N 2.86Å; M411-A415 WeakPolarHBondContact O-CB 3.39Å; M411-A415 PolarHBondContact O-N 3.29Å |
| 412 | E | 93.3 | Very high | 92.9 | Very high | 114 Ų | 114 | 94 Ų | 94 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 176 | -70.6 | 174.7 | 179.5 | 0 | 0 | 112.1 | N408 A415 T416 | N408-E412 WeakPolarHBondContact O-CG 3.46Å; N408-E412 PolarHBondContact O-N 2.92Å; E412-A415 PolarHBondContact O-N 3.24Å; E412-T416 WeakPolarHBondContact O-CG2 3.45Å; E412-T416 PolarHBondContact O-N 3.07Å; E412-T416 PolarHBondContact O-OG1 3.38Å |
| 413 | L | 93.2 | Very high | 93 | Very high | 95 Ų | 95 | 94.9 Ų | 94.9 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -49.4 | 173.1 | -179.3 | 62.4 | 0 | 0 | 0 | 110.5 | F409 A415 T416 E417 | F409-L413 WeakPolarHBondContact O-CB 3.49Å; F409-L413 PolarHBondContact O-N 3.3Å; L413-A415 VanDerWaalsContact C-N 3.35Å; L413-A415 PolarHBondContact O-N 2.91Å; L413-T416 WeakPolarHBondContact CA-OG1 3.33Å; L413-T416 PolarHBondContact O-N 2.89Å; L413-T416 PolarHBondContact O-OG1 2.94Å; L413-E417 HydrophobicContact CD1-CG 4.45Å; L413-E417 WeakPolarHBondContact O-CG 3.43Å; L413-E417 PolarHBondContact O-N 3.35Å |
| 414 | K | 93.8 | Very high | 93 | Very high | 122 Ų | 122 | 95.8 Ų | 95.8 | 53% | 0.53 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 177.3 | -175 | 172.9 | -177.5 | -75.9 | 0 | 112.5 | Q410 M411 T416 E417 E418 | Q410-K414 WeakPolarHBondContact O-CB 3.22Å; Q410-K414 PolarHBondContact O-N 2.98Å; Q410-K414 VanDerWaalsContact O-N 3.07Å; M411-K414 PolarHBondContact O-N 2.86Å; K414-T416 VanDerWaalsContact C-N 3.33Å; K414-T416 PolarHBondContact O-N 2.77Å; K414-E417 PolarHBondContact O-N 3.29Å; K414-E418 IonicContact NZ-OE1 2.76Å; K414-E418 PolarHBondContact NZ-OE1 2.95Å; K414-E418 WeakPolarHBondContact O-CG 3.44Å; K414-E418 PolarHBondContact O-N 3.33Å |
| 415 | A | 92.8 | Very high | 93 | Very high | 56 Ų | 56 | 95 Ų | 95 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -35.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M411 E412 L413 L419 | M411-A415 WeakPolarHBondContact O-CB 3.39Å; M411-A415 PolarHBondContact O-N 3.29Å; E412-A415 PolarHBondContact O-N 3.24Å; L413-A415 VanDerWaalsContact C-N 3.35Å; L413-A415 PolarHBondContact O-N 2.91Å; A415-L419 WeakPolarHBondContact O-CB 3.3Å; A415-L419 PolarHBondContact O-N 3.01Å |
| 416 | T | 89.8 | Confident | 93 | Very high | 69 Ų | 69 | 97.4 Ų | 97.4 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.9 | -34.2 | 174.8 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | E412 L413 K414 L419 I420 | E412-T416 WeakPolarHBondContact O-CG2 3.45Å; E412-T416 PolarHBondContact O-N 3.07Å; E412-T416 PolarHBondContact O-OG1 3.38Å; L413-T416 WeakPolarHBondContact CA-OG1 3.33Å; L413-T416 PolarHBondContact O-N 2.89Å; L413-T416 PolarHBondContact O-OG1 2.94Å; K414-T416 VanDerWaalsContact C-N 3.33Å; K414-T416 PolarHBondContact O-N 2.77Å; T416-L419 PolarHBondContact O-N 2.98Å; T416-I420 WeakPolarHBondContact O-CB 3.26Å; T416-I420 WeakPolarHBondContact O-CD1 3.48Å; T416-I420 VanDerWaalsContact O-CG1 3.23Å; T416-I420 WeakPolarHBondContact O-CG1 3.38Å; T416-I420 PolarHBondContact O-N 2.7Å |
| 417 | E | 92.7 | Very high | 93 | Very high | 106 Ų | 106 | 98.4 Ų | 98.4 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 169.6 | -73.4 | 177 | 165.8 | 0 | 0 | 112.3 | L413 K414 I420 S421 | L413-E417 HydrophobicContact CD1-CG 4.45Å; L413-E417 WeakPolarHBondContact O-CG 3.43Å; L413-E417 PolarHBondContact O-N 3.35Å; K414-E417 PolarHBondContact O-N 3.29Å; E417-I420 PolarHBondContact O-N 2.94Å; E417-S421 WeakPolarHBondContact O-CB 3.44Å; E417-S421 PolarHBondContact O-N 3.44Å; E417-S421 PolarHBondContact O-OG 3.16Å |
| 418 | E | 92.6 | Very high | 93.1 | Very high | 109 Ų | 109 | 100.5 Ų | 100.5 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 173.6 | -75 | 174.6 | -166.5 | 0 | 0 | 111.6 | K414 S421 L422 | K414-E418 IonicContact NZ-OE1 2.76Å; K414-E418 PolarHBondContact NZ-OE1 2.95Å; K414-E418 WeakPolarHBondContact O-CG 3.44Å; K414-E418 PolarHBondContact O-N 3.33Å; E418-S421 PolarHBondContact O-N 2.95Å; E418-L422 PolarHBondContact O-N 3.07Å |
| 419 | L | 93.4 | Very high | 93.1 | Very high | 91 Ų | 91 | 101.4 Ų | 101.4 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 175.5 | -177.3 | 63.2 | 0 | 0 | 0 | 112.7 | A415 T416 S421 L422 Q423 | A415-L419 WeakPolarHBondContact O-CB 3.3Å; A415-L419 PolarHBondContact O-N 3.01Å; T416-L419 PolarHBondContact O-N 2.98Å; L419-S421 VanDerWaalsContact C-N 3.31Å; L419-S421 PolarHBondContact O-N 2.77Å; L419-L422 PolarHBondContact O-N 2.94Å; L419-Q423 WeakPolarHBondContact O-CG 3.47Å; L419-Q423 PolarHBondContact O-N 2.87Å |
| 420 | I | 93 | Very high | 92.9 | Very high | 104 Ų | 104 | 97.9 Ų | 97.9 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 175.7 | -71.9 | 164.2 | 0 | 0 | 0 | 110.2 | T416 E417 L422 Q423 K424 | T416-I420 WeakPolarHBondContact O-CB 3.26Å; T416-I420 WeakPolarHBondContact O-CD1 3.48Å; T416-I420 VanDerWaalsContact O-CG1 3.23Å; T416-I420 WeakPolarHBondContact O-CG1 3.38Å; T416-I420 PolarHBondContact O-N 2.7Å; E417-I420 PolarHBondContact O-N 2.94Å; I420-L422 VanDerWaalsContact C-N 3.35Å; I420-L422 PolarHBondContact O-N 3.49Å; I420-Q423 PolarHBondContact O-N 2.99Å; I420-K424 WeakPolarHBondContact O-CB 3.49Å; I420-K424 PolarHBondContact O-N 2.84Å |
| 421 | S | 91.7 | Very high | 93 | Very high | 79 Ų | 79 | 96.6 Ų | 96.6 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -41.2 | 175.9 | -60.6 | 0 | 0 | 0 | 0 | 112 | E417 E418 L419 K424 S425 | E417-S421 WeakPolarHBondContact O-CB 3.44Å; E417-S421 PolarHBondContact O-N 3.44Å; E417-S421 PolarHBondContact O-OG 3.16Å; E418-S421 PolarHBondContact O-N 2.95Å; L419-S421 VanDerWaalsContact C-N 3.31Å; L419-S421 PolarHBondContact O-N 2.77Å; S421-K424 PolarHBondContact O-N 2.89Å; S421-S425 PolarHBondContact O-N 3.47Å; S421-S425 VanDerWaalsContact O-N 3.08Å |
| 422 | L | 93 | Very high | 93 | Very high | 85 Ų | 85 | 97.7 Ų | 97.7 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 174.4 | 178.8 | 62.8 | 0 | 0 | 0 | 112.9 | E418 L419 I420 K424 S425 K426 | E418-L422 PolarHBondContact O-N 3.07Å; L419-L422 PolarHBondContact O-N 2.94Å; I420-L422 VanDerWaalsContact C-N 3.35Å; I420-L422 PolarHBondContact O-N 3.49Å; L422-K424 VanDerWaalsContact C-N 3.32Å; L422-S425 PolarHBondContact O-N 3.31Å; L422-S425 PolarHBondContact O-OG 2.94Å; L422-K426 WeakPolarHBondContact O-CG 3.26Å; L422-K426 PolarHBondContact O-N 3.33Å |
| 423 | Q | 93.6 | Very high | 93 | Very high | 119 Ų | 119 | 94.8 Ų | 94.8 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65 | -38.2 | 173.8 | -74.2 | -179.8 | -5.5 | 0 | 0 | 111.4 | L419 I420 K426 L427 | L419-Q423 WeakPolarHBondContact O-CG 3.47Å; L419-Q423 PolarHBondContact O-N 2.87Å; I420-Q423 PolarHBondContact O-N 2.99Å; Q423-K426 PolarHBondContact O-N 3.41Å; Q423-L427 PolarHBondContact O-N 3.44Å |
| 424 | K | 94.4 | Very high | 93.1 | Very high | 138 Ų | 138 | 94.9 Ų | 94.9 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67 | -36.1 | 177.4 | -172.5 | 175.6 | 179.9 | 179.3 | 0 | 113 | I420 S421 L422 L427 L428 | I420-K424 WeakPolarHBondContact O-CB 3.49Å; I420-K424 PolarHBondContact O-N 2.84Å; S421-K424 PolarHBondContact O-N 2.89Å; L422-K424 VanDerWaalsContact C-N 3.32Å; K424-L427 PolarHBondContact O-N 3.09Å; K424-L428 WeakPolarHBondContact O-CG 3.48Å; K424-L428 PolarHBondContact O-N 3.06Å |
| 425 | S | 92.7 | Very high | 93 | Very high | 49 Ų | 49 | 90.9 Ų | 90.9 | 34% | 0.343 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -49.1 | 171.9 | 97.2 | 0 | 0 | 0 | 0 | 110.5 | S421 L422 L427 L428 D429 | S421-S425 PolarHBondContact O-N 3.47Å; S421-S425 VanDerWaalsContact O-N 3.08Å; L422-S425 PolarHBondContact O-N 3.31Å; L422-S425 PolarHBondContact O-OG 2.94Å; S425-L427 PolarHBondContact O-N 3.42Å; S425-L428 WeakPolarHBondContact O-CA 3.35Å; S425-L428 WeakPolarHBondContact O-CB 3.28Å; S425-L428 PolarHBondContact O-N 3.26Å; S425-D429 PolarHBondContact O-N 2.83Å; S425-D429 VanDerWaalsContact O-OD2 3.1Å |
| 426 | K | 94.7 | Very high | 93 | Very high | 124 Ų | 124 | 91.8 Ų | 91.8 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -30.9 | 179.1 | -70 | 174.2 | 179.9 | -179.6 | 0 | 113.5 | L422 Q423 D429 A430 | L422-K426 WeakPolarHBondContact O-CG 3.26Å; L422-K426 PolarHBondContact O-N 3.33Å; Q423-K426 PolarHBondContact O-N 3.41Å; K426-D429 WeakPolarHBondContact CA-OD2 3.36Å; K426-A430 WeakPolarHBondContact O-CB 3.41Å; K426-A430 PolarHBondContact O-N 3.43Å; K426-A430 VanDerWaalsContact O-N 3.12Å |
| 427 | L | 91.9 | Very high | 92.9 | Very high | 98 Ų | 98 | 92.8 Ų | 92.8 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.6 | -47.1 | 172.6 | -178.5 | 61.8 | 0 | 0 | 0 | 111.3 | Q423 K424 S425 D429 A430 E431 | Q423-L427 PolarHBondContact O-N 3.44Å; K424-L427 PolarHBondContact O-N 3.09Å; S425-L427 PolarHBondContact O-N 3.42Å; L427-D429 VanDerWaalsContact C-N 3.35Å; L427-D429 PolarHBondContact O-N 3.1Å; L427-A430 CarbonylContact O-C 3.53Å; L427-A430 PolarHBondContact O-N 3.15Å; L427-A430 VanDerWaalsContact O-N 3.16Å; L427-E431 HydrophobicContact CD1-CG 4.45Å; L427-E431 WeakPolarHBondContact O-CG 3.47Å; L427-E431 PolarHBondContact O-N 3.17Å |
| 428 | L | 94.5 | Very high | 92.9 | Very high | 100 Ų | 100 | 91.9 Ų | 91.9 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 175.6 | -68.8 | 166.3 | 0 | 0 | 0 | 111.9 | K424 S425 A430 E431 E432 | K424-L428 WeakPolarHBondContact O-CG 3.48Å; K424-L428 PolarHBondContact O-N 3.06Å; S425-L428 WeakPolarHBondContact O-CA 3.35Å; S425-L428 WeakPolarHBondContact O-CB 3.28Å; S425-L428 PolarHBondContact O-N 3.26Å; L428-A430 VanDerWaalsContact C-N 3.26Å; L428-A430 PolarHBondContact O-N 2.97Å; L428-E431 PolarHBondContact O-N 3.48Å; L428-E432 PolarHBondContact O-N 3Å |
| 429 | D | 93.4 | Very high | 92.9 | Very high | 98 Ų | 98 | 94.1 Ų | 94.1 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -38.7 | 175.1 | -57.1 | -38.1 | 0 | 0 | 0 | 111 | S425 K426 L427 A433 | S425-D429 PolarHBondContact O-N 2.83Å; S425-D429 VanDerWaalsContact O-OD2 3.1Å; K426-D429 WeakPolarHBondContact CA-OD2 3.36Å; L427-D429 VanDerWaalsContact C-N 3.35Å; L427-D429 PolarHBondContact O-N 3.1Å; D429-A433 WeakPolarHBondContact O-CB 3.39Å; D429-A433 PolarHBondContact O-N 2.91Å; D429-A433 VanDerWaalsContact O-N 3.14Å |
| 430 | A | 91.2 | Very high | 93 | Very high | 54 Ų | 54 | 94.7 Ų | 94.7 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76 | -34.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K426 L427 L428 A433 L434 | K426-A430 WeakPolarHBondContact O-CB 3.41Å; K426-A430 PolarHBondContact O-N 3.43Å; K426-A430 VanDerWaalsContact O-N 3.12Å; L427-A430 CarbonylContact O-C 3.53Å; L427-A430 PolarHBondContact O-N 3.15Å; L427-A430 VanDerWaalsContact O-N 3.16Å; L428-A430 VanDerWaalsContact C-N 3.26Å; L428-A430 PolarHBondContact O-N 2.97Å; A430-A433 PolarHBondContact O-N 3.24Å; A430-L434 WeakPolarHBondContact O-CB 3.34Å; A430-L434 PolarHBondContact O-N 3.47Å |
| 431 | E | 95 | Very high | 93 | Very high | 101 Ų | 101 | 94.9 Ų | 94.9 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 173.6 | -75.1 | 172.6 | -178.3 | 0 | 0 | 111.3 | L427 L428 L434 A435 | L427-E431 HydrophobicContact CD1-CG 4.45Å; L427-E431 WeakPolarHBondContact O-CG 3.47Å; L427-E431 PolarHBondContact O-N 3.17Å; L428-E431 PolarHBondContact O-N 3.48Å; E431-L434 PolarHBondContact O-N 2.97Å; E431-A435 WeakPolarHBondContact O-CB 3.47Å; E431-A435 PolarHBondContact O-N 2.9Å |
| 432 | E | 93.6 | Very high | 93 | Very high | 140 Ų | 140 | 97.8 Ų | 97.8 | 65% | 0.654 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 173 | -176.6 | 171.2 | -176.1 | 0 | 0 | 111.4 | L428 L434 A435 V436 | L428-E432 PolarHBondContact O-N 3Å; E432-L434 VanDerWaalsContact C-N 3.33Å; E432-L434 PolarHBondContact O-N 3.44Å; E432-A435 PolarHBondContact O-N 3.35Å; E432-V436 WeakPolarHBondContact O-CG2 3.4Å; E432-V436 PolarHBondContact O-N 2.9Å |
| 433 | A | 93.3 | Very high | 93 | Very high | 54 Ų | 54 | 98.5 Ų | 98.5 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | D429 A430 V436 T437 | D429-A433 WeakPolarHBondContact O-CB 3.39Å; D429-A433 PolarHBondContact O-N 2.91Å; D429-A433 VanDerWaalsContact O-N 3.14Å; A430-A433 PolarHBondContact O-N 3.24Å; A433-V436 PolarHBondContact O-N 3.26Å; A433-T437 PolarHBondContact O-N 3.42Å |
| 434 | L | 93.3 | Very high | 93 | Very high | 96 Ų | 96 | 97 Ų | 97 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 174.2 | -179.7 | 62.1 | 0 | 0 | 0 | 111.2 | A430 E431 E432 V436 T437 E438 | A430-L434 WeakPolarHBondContact O-CB 3.34Å; A430-L434 PolarHBondContact O-N 3.47Å; E431-L434 PolarHBondContact O-N 2.97Å; E432-L434 VanDerWaalsContact C-N 3.33Å; E432-L434 PolarHBondContact O-N 3.44Å; L434-V436 PolarHBondContact O-N 2.74Å; L434-T437 PolarHBondContact O-N 2.78Å; L434-T437 PolarHBondContact O-OG1 3.21Å; L434-E438 HydrophobicContact CD1-CG 4.2Å; L434-E438 HydrophobicContact CG-CG 4.35Å; L434-E438 WeakPolarHBondContact O-CG 3.42Å; L434-E438 PolarHBondContact O-N 3Å |
| 435 | A | 92.2 | Very high | 93.1 | Very high | 39 Ų | 39 | 94.4 Ų | 94.4 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -28.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | E431 E432 R439 | E431-A435 WeakPolarHBondContact O-CB 3.47Å; E431-A435 PolarHBondContact O-N 2.9Å; E432-A435 PolarHBondContact O-N 3.35Å; A435-R439 WeakPolarHBondContact O-CB 3.37Å; A435-R439 PolarHBondContact O-N 3.42Å |
| 436 | V | 93.2 | Very high | 93.2 | Very high | 75 Ų | 75 | 95.2 Ų | 95.2 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.4 | -44.5 | 170.9 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | E432 A433 L434 R439 K440 | E432-V436 WeakPolarHBondContact O-CG2 3.4Å; E432-V436 PolarHBondContact O-N 2.9Å; A433-V436 PolarHBondContact O-N 3.26Å; L434-V436 PolarHBondContact O-N 2.74Å; V436-R439 PolarHBondContact O-N 2.85Å; V436-K440 PolarHBondContact O-N 3.21Å; V436-K440 VanDerWaalsContact O-N 3.13Å |
| 437 | T | 87.3 | Confident | 93.2 | Very high | 89 Ų | 89 | 92.8 Ų | 92.8 | 55% | 0.546 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 178.7 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | A433 L434 K440 R441 | A433-T437 PolarHBondContact O-N 3.42Å; L434-T437 PolarHBondContact O-N 2.78Å; L434-T437 PolarHBondContact O-OG1 3.21Å; T437-K440 CarbonylContact O-C 3.54Å; T437-K440 PolarHBondContact O-N 2.96Å; T437-R441 PolarHBondContact O-N 3Å |
| 438 | E | 93.3 | Very high | 93.2 | Very high | 87 Ų | 87 | 92.7 Ų | 92.7 | 41% | 0.407 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 173.8 | -71.5 | -167.8 | 140.8 | 0 | 0 | 111.9 | L434 K440 R441 Y442 | L434-E438 HydrophobicContact CD1-CG 4.2Å; L434-E438 HydrophobicContact CG-CG 4.35Å; L434-E438 WeakPolarHBondContact O-CG 3.42Å; L434-E438 PolarHBondContact O-N 3Å; E438-K440 VanDerWaalsContact C-N 3.26Å; E438-K440 PolarHBondContact O-N 3.32Å; E438-R441 WeakPolarHBondContact O-CA 3.42Å; E438-R441 WeakPolarHBondContact O-CB 3.15Å; E438-R441 PolarHBondContact O-N 3.49Å; E438-Y442 WeakPolarHBondContact O-CD2 3.27Å; E438-Y442 PolarHBondContact O-N 3.4Å |
| 439 | R | 93 | Very high | 93.2 | Very high | 156 Ų | 156 | 91.8 Ų | 91.8 | 59% | 0.589 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.8 | -40.1 | 174.4 | -167.3 | -178.1 | -56.3 | 107.3 | 6.6 | 111.5 | A435 V436 E443 | A435-R439 WeakPolarHBondContact O-CB 3.37Å; A435-R439 PolarHBondContact O-N 3.42Å; V436-R439 PolarHBondContact O-N 2.85Å; R439-E443 PolarHBondContact O-N 2.93Å; R439-E443 VanDerWaalsContact O-N 3.12Å |
| 440 | K | 93.9 | Very high | 93.2 | Very high | 103 Ų | 103 | 89.6 Ų | 89.6 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.1 | -30.2 | 174.9 | -174.2 | 53.9 | -175.3 | 160.5 | 0 | 113 | V436 T437 E438 E443 L444 | V436-K440 PolarHBondContact O-N 3.21Å; V436-K440 VanDerWaalsContact O-N 3.13Å; T437-K440 CarbonylContact O-C 3.54Å; T437-K440 PolarHBondContact O-N 2.96Å; E438-K440 VanDerWaalsContact C-N 3.26Å; E438-K440 PolarHBondContact O-N 3.32Å; K440-E443 HydrophobicContact CD-CB 4.31Å; K440-E443 HydrophobicContact CD-CG 4.33Å; K440-L444 HydrophobicContact CD-CD1 4.44Å; K440-L444 HydrophobicContact CD-CG 4.24Å; K440-L444 HydrophobicContact CG-CD1 4.2Å; K440-L444 HydrophobicContact CG-CG 4.49Å; K440-L444 WeakPolarHBondContact O-CB 3.35Å; K440-L444 VanDerWaalsContact O-CG 3.32Å; K440-L444 WeakPolarHBondContact O-CG 3.35Å; K440-L444 PolarHBondContact O-N 3.03Å |
| 441 | R | 93.9 | Very high | 93.3 | Very high | 108 Ų | 108 | 93.1 Ų | 93.1 | 41% | 0.408 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 171.9 | -170.6 | -167.1 | 57.9 | 61.9 | 3.4 | 111.4 | T437 E438 L444 Q445 | T437-R441 PolarHBondContact O-N 3Å; E438-R441 WeakPolarHBondContact O-CA 3.42Å; E438-R441 WeakPolarHBondContact O-CB 3.15Å; E438-R441 PolarHBondContact O-N 3.49Å; R441-L444 PolarHBondContact O-N 3.44Å; R441-Q445 VanDerWaalsContact NH1-OE1 3.08Å; R441-Q445 WeakPolarHBondContact O-CB 3.29Å; R441-Q445 PolarHBondContact O-N 3.34Å |
| 442 | Y | 92.5 | Very high | 93.3 | Very high | 141 Ų | 141 | 93.8 Ų | 93.8 | 55% | 0.553 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.7 | -42.6 | 175.5 | -74.5 | -67.8 | 0 | 0 | 0 | 112.2 | E438 Q445 S446 | E438-Y442 WeakPolarHBondContact O-CD2 3.27Å; E438-Y442 PolarHBondContact O-N 3.4Å; Y442-Q445 PolarHBondContact O-N 2.68Å; Y442-S446 PolarHBondContact O-N 3.18Å |
| 443 | E | 93.1 | Very high | 93.2 | Very high | 99 Ų | 99 | 94.8 Ų | 94.8 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 174 | 176.1 | 63 | -152.5 | 0 | 0 | 111.9 | R439 K440 Q445 S446 Q447 | R439-E443 PolarHBondContact O-N 2.93Å; R439-E443 VanDerWaalsContact O-N 3.12Å; K440-E443 HydrophobicContact CD-CB 4.31Å; K440-E443 HydrophobicContact CD-CG 4.33Å; E443-Q445 VanDerWaalsContact C-N 3.32Å; E443-Q445 PolarHBondContact O-N 3.45Å; E443-S446 PolarHBondContact O-N 3.08Å; E443-Q447 WeakPolarHBondContact O-CG 3.4Å; E443-Q447 PolarHBondContact O-N 3.09Å; E443-Q447 PolarHBondContact OE1-NE2 3.5Å |
| 444 | L | 93.4 | Very high | 93.3 | Very high | 88 Ų | 88 | 97.4 Ų | 97.4 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.6 | -34.4 | 178.6 | -72.1 | 170.7 | 0 | 0 | 0 | 112.7 | K440 R441 Q447 L448 | K440-L444 HydrophobicContact CD-CD1 4.44Å; K440-L444 HydrophobicContact CD-CG 4.24Å; K440-L444 HydrophobicContact CG-CD1 4.2Å; K440-L444 HydrophobicContact CG-CG 4.49Å; K440-L444 WeakPolarHBondContact O-CB 3.35Å; K440-L444 VanDerWaalsContact O-CG 3.32Å; K440-L444 WeakPolarHBondContact O-CG 3.35Å; K440-L444 PolarHBondContact O-N 3.03Å; R441-L444 PolarHBondContact O-N 3.44Å; L444-Q447 PolarHBondContact O-N 3.12Å; L444-L448 PolarHBondContact O-N 3.43Å |
| 445 | Q | 95.5 | Very high | 93.3 | Very high | 83 Ų | 83 | 98.5 Ų | 98.5 | 39% | 0.388 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 174.2 | -177.1 | -176.8 | -24.4 | 0 | 0 | 111.1 | R441 Y442 E443 Q447 L448 E449 | R441-Q445 VanDerWaalsContact NH1-OE1 3.08Å; R441-Q445 WeakPolarHBondContact O-CB 3.29Å; R441-Q445 PolarHBondContact O-N 3.34Å; Y442-Q445 PolarHBondContact O-N 2.68Å; E443-Q445 VanDerWaalsContact C-N 3.32Å; E443-Q445 PolarHBondContact O-N 3.45Å; Q445-Q447 VanDerWaalsContact C-N 3.29Å; Q445-Q447 PolarHBondContact O-N 3.09Å; Q445-L448 WeakPolarHBondContact O-CB 3.48Å; Q445-L448 PolarHBondContact O-N 3.13Å; Q445-L448 VanDerWaalsContact O-N 3.17Å; Q445-E449 WeakPolarHBondContact CG-OE1 3.22Å; Q445-E449 PolarHBondContact NE2-OE1 3.47Å; Q445-E449 WeakPolarHBondContact O-CG 3.27Å; Q445-E449 PolarHBondContact O-N 2.95Å |
| 446 | S | 94.3 | Very high | 93.4 | Very high | 67 Ų | 67 | 102.6 Ų | 102.6 | 47% | 0.469 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -34 | 177.2 | -164.1 | 0 | 0 | 0 | 0 | 112.5 | Y442 E443 S450 | Y442-S446 PolarHBondContact O-N 3.18Å; E443-S446 PolarHBondContact O-N 3.08Å; S446-S450 PolarHBondContact O-N 3.42Å; S446-S450 VanDerWaalsContact O-N 3.14Å |
| 447 | Q | 94.6 | Very high | 93.3 | Very high | 73 Ų | 73 | 103.5 Ų | 103.5 | 34% | 0.341 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 171.8 | -68.8 | 177.8 | 10.6 | 0 | 0 | 111.7 | E443 L444 Q445 S450 F451 | E443-Q447 WeakPolarHBondContact O-CG 3.4Å; E443-Q447 PolarHBondContact O-N 3.09Å; E443-Q447 PolarHBondContact OE1-NE2 3.5Å; L444-Q447 PolarHBondContact O-N 3.12Å; Q445-Q447 VanDerWaalsContact C-N 3.29Å; Q445-Q447 PolarHBondContact O-N 3.09Å; Q447-S450 WeakPolarHBondContact O-CB 3.49Å; Q447-S450 PolarHBondContact O-N 3.35Å; Q447-S450 VanDerWaalsContact O-N 3.1Å; Q447-S450 PolarHBondContact O-OG 2.9Å; Q447-F451 VanDerWaalsContact O-CD2 3.28Å; Q447-F451 WeakPolarHBondContact O-CD2 3.49Å; Q447-F451 PolarHBondContact O-N 3.02Å; Q447-F451 VanDerWaalsContact O-N 3.12Å |
| 448 | L | 93.5 | Very high | 93.7 | Very high | 96 Ų | 96 | 105.5 Ų | 105.5 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 174.8 | 179.8 | 63.5 | 0 | 0 | 0 | 111.8 | L444 Q445 S450 F451 E452 | L444-L448 PolarHBondContact O-N 3.43Å; Q445-L448 WeakPolarHBondContact O-CB 3.48Å; Q445-L448 PolarHBondContact O-N 3.13Å; Q445-L448 VanDerWaalsContact O-N 3.17Å; L448-S450 PolarHBondContact O-N 2.91Å; L448-F451 PolarHBondContact O-N 3.37Å; L448-E452 HydrophobicContact CD1-CG 4.23Å; L448-E452 HydrophobicContact CG-CG 4.36Å; L448-E452 WeakPolarHBondContact O-CG 3.43Å; L448-E452 PolarHBondContact O-N 3.47Å |
| 449 | E | 93.9 | Very high | 93.8 | Very high | 80 Ų | 80 | 106.4 Ų | 106.4 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -17.8 | 175.3 | -70.4 | 170 | -167.5 | 0 | 0 | 112.9 | Q445 R453 | Q445-E449 WeakPolarHBondContact CG-OE1 3.22Å; Q445-E449 PolarHBondContact NE2-OE1 3.47Å; Q445-E449 WeakPolarHBondContact O-CG 3.27Å; Q445-E449 PolarHBondContact O-N 2.95Å; E449-R453 PolarHBondContact O-NE 3.39Å; E449-R453 PolarHBondContact O-NH2 3.23Å |
| 450 | S | 94.1 | Very high | 93.7 | Very high | 53 Ų | 53 | 102.7 Ų | 102.7 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -84.1 | -42.9 | 172 | 81.5 | 0 | 0 | 0 | 0 | 112.6 | S446 Q447 L448 R453 E454 | S446-S450 PolarHBondContact O-N 3.42Å; S446-S450 VanDerWaalsContact O-N 3.14Å; Q447-S450 WeakPolarHBondContact O-CB 3.49Å; Q447-S450 PolarHBondContact O-N 3.35Å; Q447-S450 VanDerWaalsContact O-N 3.1Å; Q447-S450 PolarHBondContact O-OG 2.9Å; L448-S450 PolarHBondContact O-N 2.91Å; S450-R453 PolarHBondContact O-N 3.4Å; S450-E454 PolarHBondContact O-N 3.01Å |
| 451 | F | 93.1 | Very high | 93.7 | Very high | 128 Ų | 128 | 104 Ų | 104 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.5 | -36 | 177.5 | -70.8 | -56.7 | 0 | 0 | 0 | 112.9 | Q447 L448 R453 E454 H455 | Q447-F451 VanDerWaalsContact O-CD2 3.28Å; Q447-F451 WeakPolarHBondContact O-CD2 3.49Å; Q447-F451 PolarHBondContact O-N 3.02Å; Q447-F451 VanDerWaalsContact O-N 3.12Å; L448-F451 PolarHBondContact O-N 3.37Å; F451-R453 VanDerWaalsContact C-N 3.31Å; F451-R453 PolarHBondContact O-N 3Å; F451-E454 PolarHBondContact O-N 3.33Å; F451-H455 WeakPolarHBondContact O-CB 3.48Å; F451-H455 PolarHBondContact O-N 2.93Å |
| 452 | E | 94.4 | Very high | 93.6 | Very high | 114 Ų | 114 | 103.4 Ų | 103.4 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.5 | -71.6 | 176 | 166.9 | 0 | 0 | 111.5 | L448 F456 | L448-E452 HydrophobicContact CD1-CG 4.23Å; L448-E452 HydrophobicContact CG-CG 4.36Å; L448-E452 WeakPolarHBondContact O-CG 3.43Å; L448-E452 PolarHBondContact O-N 3.47Å; E452-F456 WeakPolarHBondContact O-CB 3.39Å; E452-F456 PolarHBondContact O-N 3.3Å |
| 453 | R | 92.3 | Very high | 93.6 | Very high | 161 Ų | 161 | 101.4 Ų | 101.4 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.7 | -41.2 | 173.7 | -78.6 | 179.8 | -72.3 | 153.6 | -1 | 112.4 | E449 S450 F451 F456 T457 | E449-R453 PolarHBondContact O-NE 3.39Å; E449-R453 PolarHBondContact O-NH2 3.23Å; S450-R453 PolarHBondContact O-N 3.4Å; F451-R453 VanDerWaalsContact C-N 3.31Å; F451-R453 PolarHBondContact O-N 3Å; R453-F456 PolarHBondContact O-N 2.99Å; R453-T457 WeakPolarHBondContact O-CG2 3.41Å; R453-T457 PolarHBondContact O-N 3.07Å; R453-T457 PolarHBondContact O-OG1 3.32Å |
| 454 | E | 94.5 | Very high | 93.5 | Very high | 109 Ų | 109 | 100.1 Ų | 100.1 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60 | -49.6 | 174.1 | -168.2 | -169.5 | 151.5 | 0 | 0 | 110.7 | S450 F451 F456 T457 K458 | S450-E454 PolarHBondContact O-N 3.01Å; F451-E454 PolarHBondContact O-N 3.33Å; E454-F456 PolarHBondContact O-N 2.94Å; E454-T457 PolarHBondContact O-N 3.41Å; E454-T457 PolarHBondContact O-OG1 3.1Å; E454-K458 PolarHBondContact O-N 3.23Å |
| 455 | H | 93.1 | Very high | 93.5 | Very high | 119 Ų | 119 | 98 Ų | 98 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -54.9 | -51.4 | 177.6 | -170.7 | -78.7 | 0 | 0 | 0 | 111.3 | F451 T457 K458 E459 | F451-H455 WeakPolarHBondContact O-CB 3.48Å; F451-H455 PolarHBondContact O-N 2.93Å; H455-T457 VanDerWaalsContact C-N 3.35Å; H455-T457 PolarHBondContact O-N 2.94Å; H455-K458 WeakPolarHBondContact O-CB 3.48Å; H455-K458 PolarHBondContact O-N 3.25Å; H455-E459 IonicContact CE1-OE2 3.68Å; H455-E459 PolarHBondContact CE1-OE2 3.31Å; H455-E459 IonicContact ND1-OE2 3.44Å; H455-E459 PolarHBondContact ND1-OE2 3.22Å; H455-E459 WeakPolarHBondContact O-CB 3.41Å; H455-E459 PolarHBondContact O-N 3.01Å |
| 456 | F | 94.3 | Very high | 93.4 | Very high | 126 Ų | 126 | 99.2 Ų | 99.2 | 55% | 0.553 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.9 | -43.6 | 179.1 | -176.2 | -108.8 | 0 | 0 | 0 | 112.2 | E452 R453 E454 K458 E459 N460 | E452-F456 WeakPolarHBondContact O-CB 3.39Å; E452-F456 PolarHBondContact O-N 3.3Å; R453-F456 PolarHBondContact O-N 2.99Å; E454-F456 PolarHBondContact O-N 2.94Å; F456-K458 VanDerWaalsContact C-N 3.27Å; F456-K458 PolarHBondContact O-N 3.31Å; F456-E459 PolarHBondContact O-N 3.35Å; F456-N460 WeakPolarHBondContact CD1-ND2 3.37Å; F456-N460 VanDerWaalsContact CE1-ND2 3.25Å; F456-N460 WeakPolarHBondContact CE1-ND2 3.45Å; F456-N460 WeakPolarHBondContact CE2-ND2 3.33Å; F456-N460 WeakPolarHBondContact CZ-ND2 3.39Å; F456-N460 PolarHBondContact O-N 2.8Å; F456-N460 VanDerWaalsContact O-N 3.08Å; F456-N460 PolarHBondContact O-ND2 3.08Å |
| 457 | T | 92.1 | Very high | 93.4 | Very high | 93 Ų | 93 | 98.9 Ų | 98.9 | 57% | 0.571 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.6 | -33.4 | 176.3 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | R453 E454 H455 Y461 | R453-T457 WeakPolarHBondContact O-CG2 3.41Å; R453-T457 PolarHBondContact O-N 3.07Å; R453-T457 PolarHBondContact O-OG1 3.32Å; E454-T457 PolarHBondContact O-N 3.41Å; E454-T457 PolarHBondContact O-OG1 3.1Å; H455-T457 VanDerWaalsContact C-N 3.35Å; H455-T457 PolarHBondContact O-N 2.94Å; T457-Y461 PolarHBondContact O-N 2.91Å |
| 458 | K | 94.5 | Very high | 93.3 | Very high | 131 Ų | 131 | 99.9 Ų | 99.9 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -77.2 | -34.4 | 179.7 | -162.5 | 170.2 | -170 | 167.9 | 0 | 112.7 | E454 H455 F456 Y461 L462 | E454-K458 PolarHBondContact O-N 3.23Å; H455-K458 WeakPolarHBondContact O-CB 3.48Å; H455-K458 PolarHBondContact O-N 3.25Å; F456-K458 VanDerWaalsContact C-N 3.27Å; F456-K458 PolarHBondContact O-N 3.31Å; K458-Y461 PolarHBondContact O-N 3.13Å; K458-L462 WeakPolarHBondContact O-CG 3.27Å; K458-L462 PolarHBondContact O-N 3.11Å; K458-L462 VanDerWaalsContact O-N 3.08Å |
| 459 | E | 94.9 | Very high | 93.2 | Very high | 106 Ų | 106 | 102 Ų | 102 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -49.2 | 174.1 | -173.8 | 165.8 | -162.4 | 0 | 0 | 111.2 | H455 F456 Y461 L462 D463 | H455-E459 IonicContact CE1-OE2 3.68Å; H455-E459 PolarHBondContact CE1-OE2 3.31Å; H455-E459 IonicContact ND1-OE2 3.44Å; H455-E459 PolarHBondContact ND1-OE2 3.22Å; H455-E459 WeakPolarHBondContact O-CB 3.41Å; H455-E459 PolarHBondContact O-N 3.01Å; F456-E459 PolarHBondContact O-N 3.35Å; E459-Y461 VanDerWaalsContact C-N 3.28Å; E459-Y461 PolarHBondContact O-N 3.02Å; E459-L462 PolarHBondContact O-N 3.26Å; E459-D463 PolarHBondContact O-N 3.21Å |
| 460 | N | 91.9 | Very high | 93.2 | Very high | 79 Ų | 79 | 100 Ų | 100 | 42% | 0.422 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.5 | -37.1 | 173.3 | -73.9 | -75.6 | 0 | 0 | 0 | 112.7 | F456 D463 D464 | F456-N460 WeakPolarHBondContact CD1-ND2 3.37Å; F456-N460 VanDerWaalsContact CE1-ND2 3.25Å; F456-N460 WeakPolarHBondContact CE1-ND2 3.45Å; F456-N460 WeakPolarHBondContact CE2-ND2 3.33Å; F456-N460 WeakPolarHBondContact CZ-ND2 3.39Å; F456-N460 PolarHBondContact O-N 2.8Å; F456-N460 VanDerWaalsContact O-N 3.08Å; F456-N460 PolarHBondContact O-ND2 3.08Å; N460-D463 PolarHBondContact O-N 3.18Å; N460-D464 WeakPolarHBondContact O-CB 3.47Å; N460-D464 PolarHBondContact O-N 3.27Å; N460-D464 VanDerWaalsContact O-N 3.11Å |
| 461 | Y | 93.3 | Very high | 93 | Very high | 129 Ų | 129 | 103.6 Ų | 103.6 | 51% | 0.506 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 174.9 | 172.6 | -98.1 | 0 | 0 | 0 | 112.8 | T457 K458 E459 Q465 | T457-Y461 PolarHBondContact O-N 2.91Å; K458-Y461 PolarHBondContact O-N 3.13Å; E459-Y461 VanDerWaalsContact C-N 3.28Å; E459-Y461 PolarHBondContact O-N 3.02Å; Y461-Q465 HydrophobicContact CE1-CG 4.09Å; Y461-Q465 HydrophobicContact CE2-CG 4.4Å; Y461-Q465 WeakPolarHBondContact O-CG 3.39Å; Y461-Q465 PolarHBondContact O-N 2.86Å; Y461-Q465 VanDerWaalsContact O-N 3.13Å; Y461-Q465 PolarHBondContact OH-NE2 3.07Å |
| 462 | L | 91.8 | Very high | 92.9 | Very high | 97 Ų | 97 | 101.6 Ų | 101.6 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.2 | -38.1 | 175.7 | -71.9 | 170.4 | 0 | 0 | 0 | 111.8 | K458 E459 Q465 I466 | K458-L462 WeakPolarHBondContact O-CG 3.27Å; K458-L462 PolarHBondContact O-N 3.11Å; K458-L462 VanDerWaalsContact O-N 3.08Å; E459-L462 PolarHBondContact O-N 3.26Å; L462-Q465 PolarHBondContact O-N 2.79Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.37Å; L462-I466 PolarHBondContact O-N 2.88Å |
| 463 | D | 92.6 | Very high | 92.8 | Very high | 98 Ų | 98 | 101.7 Ų | 101.7 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 176.1 | -168.6 | 58.5 | 0 | 0 | 0 | 112.5 | E459 N460 Q465 I466 S467 | E459-D463 PolarHBondContact O-N 3.21Å; N460-D463 PolarHBondContact O-N 3.18Å; D463-Q465 VanDerWaalsContact C-N 3.35Å; D463-Q465 PolarHBondContact O-N 2.82Å; D463-I466 PolarHBondContact O-N 2.95Å; D463-S467 WeakPolarHBondContact O-CB 3.44Å; D463-S467 PolarHBondContact O-N 3.38Å; D463-S467 PolarHBondContact O-OG 3.24Å |
| 464 | D | 92.3 | Very high | 92.8 | Very high | 73 Ų | 73 | 98.5 Ų | 98.5 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 171.1 | 171.7 | 49.8 | 0 | 0 | 0 | 112.4 | N460 R468 | N460-D464 WeakPolarHBondContact O-CB 3.47Å; N460-D464 PolarHBondContact O-N 3.27Å; N460-D464 VanDerWaalsContact O-N 3.11Å; D464-R468 PolarHBondContact O-N 3.48Å; D464-R468 VanDerWaalsContact O-N 3.08Å; D464-R468 IonicContact OD1-CZ 2.89Å; D464-R468 IonicContact OD1-NH1 3.38Å; D464-R468 PolarHBondContact OD1-NH1 3.27Å; D464-R468 IonicContact OD1-NH2 2.77Å; D464-R468 IonicContact OD2-CZ 3.56Å; D464-R468 IonicContact OD2-NH1 2.84Å; D464-R468 PolarHBondContact OD2-NH1 3.27Å; D464-R468 IonicContact OD2-NH2 2.69Å; D464-R468 PolarHBondContact OD2-NH2 2.97Å |
| 465 | Q | 91.7 | Very high | 92.6 | Very high | 42 Ų | 42 | 95.8 Ų | 95.8 | 20% | 0.196 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 171.3 | -69.8 | -69.4 | 24.1 | 0 | 0 | 112.8 | Y461 L462 D463 S467 R468 Y469 | Y461-Q465 HydrophobicContact CE1-CG 4.09Å; Y461-Q465 HydrophobicContact CE2-CG 4.4Å; Y461-Q465 WeakPolarHBondContact O-CG 3.39Å; Y461-Q465 PolarHBondContact O-N 2.86Å; Y461-Q465 VanDerWaalsContact O-N 3.13Å; Y461-Q465 PolarHBondContact OH-NE2 3.07Å; L462-Q465 PolarHBondContact O-N 2.79Å; D463-Q465 VanDerWaalsContact C-N 3.35Å; D463-Q465 PolarHBondContact O-N 2.82Å; Q465-S467 VanDerWaalsContact C-N 3.3Å; Q465-S467 PolarHBondContact O-N 3.07Å; Q465-R468 PolarHBondContact O-N 3.08Å; Q465-Y469 HydrophobicContact CB-CE2 4.21Å; Q465-Y469 WeakPolarHBondContact O-CD2 3.45Å; Q465-Y469 PolarHBondContact O-N 3.22Å |
| 466 | I | 94.5 | Very high | 92.5 | Very high | 110 Ų | 110 | 95 Ų | 95 | 56% | 0.564 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.5 | -43.3 | 177 | -71 | 163.1 | 0 | 0 | 0 | 110.1 | L462 D463 R468 Y469 G470 | L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.37Å; L462-I466 PolarHBondContact O-N 2.88Å; D463-I466 PolarHBondContact O-N 2.95Å; I466-R468 PolarHBondContact O-N 2.93Å; I466-Y469 PolarHBondContact O-N 2.98Å; I466-G470 PolarHBondContact O-N 2.83Å |
| 467 | S | 93 | Very high | 92.4 | Very high | 60 Ų | 60 | 93.6 Ų | 93.6 | 42% | 0.42 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 175 | -65 | 0 | 0 | 0 | 0 | 112.2 | D463 Q465 G470 I471 | D463-S467 WeakPolarHBondContact O-CB 3.44Å; D463-S467 PolarHBondContact O-N 3.38Å; D463-S467 PolarHBondContact O-OG 3.24Å; Q465-S467 VanDerWaalsContact C-N 3.3Å; Q465-S467 PolarHBondContact O-N 3.07Å; S467-G470 PolarHBondContact O-N 3.21Å; S467-I471 WeakPolarHBondContact O-CG1 3.19Å; S467-I471 PolarHBondContact O-N 3.37Å; S467-I471 VanDerWaalsContact O-N 3.17Å |
| 468 | R | 92.6 | Very high | 92.2 | Very high | 94 Ų | 94 | 94.1 Ų | 94.1 | 36% | 0.355 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 172.6 | -83.7 | -169.8 | -73.8 | -85.5 | -4.4 | 112.8 | D464 Q465 I466 G470 I471 I472 | D464-R468 PolarHBondContact O-N 3.48Å; D464-R468 VanDerWaalsContact O-N 3.08Å; D464-R468 IonicContact OD1-CZ 2.89Å; D464-R468 IonicContact OD1-NH1 3.38Å; D464-R468 PolarHBondContact OD1-NH1 3.27Å; D464-R468 IonicContact OD1-NH2 2.77Å; D464-R468 IonicContact OD2-CZ 3.56Å; D464-R468 IonicContact OD2-NH1 2.84Å; D464-R468 PolarHBondContact OD2-NH1 3.27Å; D464-R468 IonicContact OD2-NH2 2.69Å; D464-R468 PolarHBondContact OD2-NH2 2.97Å; Q465-R468 PolarHBondContact O-N 3.08Å; I466-R468 PolarHBondContact O-N 2.93Å; R468-G470 VanDerWaalsContact C-N 3.33Å; R468-G470 PolarHBondContact O-N 3.29Å; R468-I471 PolarHBondContact O-N 3.49Å; R468-I472 WeakPolarHBondContact O-CG1 3.4Å; R468-I472 PolarHBondContact O-N 2.95Å; R468-I472 VanDerWaalsContact O-N 3.14Å |
| 469 | Y | 91.8 | Very high | 91.8 | Very high | 141 Ų | 141 | 96 Ų | 96 | 55% | 0.553 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.6 | -35.8 | 177.8 | -67 | -52.4 | 0 | 0 | 0 | 112.3 | Q465 I466 I472 L473 | Q465-Y469 HydrophobicContact CB-CE2 4.21Å; Q465-Y469 WeakPolarHBondContact O-CD2 3.45Å; Q465-Y469 PolarHBondContact O-N 3.22Å; I466-Y469 PolarHBondContact O-N 2.98Å; Y469-I472 HydrophobicContact CD1-CD1 4.46Å; Y469-I472 PolarHBondContact O-N 3.49Å; Y469-L473 WeakPolarHBondContact O-CG 3.24Å; Y469-L473 PolarHBondContact O-N 2.86Å |
| 470 | G | 93.5 | Very high | 91.7 | Very high | 38 Ų | 38 | 96 Ų | 96 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | I466 S467 R468 I472 L473 E474 | I466-G470 PolarHBondContact O-N 2.83Å; S467-G470 PolarHBondContact O-N 3.21Å; R468-G470 VanDerWaalsContact C-N 3.33Å; R468-G470 PolarHBondContact O-N 3.29Å; G470-I472 VanDerWaalsContact C-N 3.34Å; G470-I472 PolarHBondContact O-N 3.21Å; G470-L473 PolarHBondContact O-N 2.93Å; G470-E474 PolarHBondContact O-N 2.82Å; G470-E474 VanDerWaalsContact O-N 3.11Å |
| 471 | I | 91.3 | Very high | 91.5 | Very high | 127 Ų | 127 | 96 Ų | 96 | 65% | 0.651 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.2 | -42.5 | 176.2 | -64.6 | 164.8 | 0 | 0 | 0 | 111.1 | S467 R468 S475 | S467-I471 WeakPolarHBondContact O-CG1 3.19Å; S467-I471 PolarHBondContact O-N 3.37Å; S467-I471 VanDerWaalsContact O-N 3.17Å; R468-I471 PolarHBondContact O-N 3.49Å; I471-S475 PolarHBondContact O-N 3.28Å; I471-S475 VanDerWaalsContact O-N 3.12Å |
| 472 | I | 91.3 | Very high | 91.3 | Very high | 86 Ų | 86 | 91 Ų | 91 | 44% | 0.441 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 178.2 | -67 | 165.9 | 0 | 0 | 0 | 110.9 | R468 Y469 G470 E474 S475 L476 | R468-I472 WeakPolarHBondContact O-CG1 3.4Å; R468-I472 PolarHBondContact O-N 2.95Å; R468-I472 VanDerWaalsContact O-N 3.14Å; Y469-I472 HydrophobicContact CD1-CD1 4.46Å; Y469-I472 PolarHBondContact O-N 3.49Å; G470-I472 VanDerWaalsContact C-N 3.34Å; G470-I472 PolarHBondContact O-N 3.21Å; I472-E474 PolarHBondContact O-N 2.88Å; I472-S475 PolarHBondContact O-N 3.4Å; I472-S475 PolarHBondContact O-OG 3.39Å; I472-L476 HydrophobicContact CG2-CD1 4.1Å; I472-L476 WeakPolarHBondContact O-CG 3.27Å; I472-L476 PolarHBondContact O-N 2.96Å |
| 473 | L | 92.5 | Very high | 91.1 | Very high | 116 Ų | 116 | 92.5 Ų | 92.5 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 179.3 | -74.5 | 168.1 | 0 | 0 | 0 | 112.7 | Y469 G470 L476 K477 | Y469-L473 WeakPolarHBondContact O-CG 3.24Å; Y469-L473 PolarHBondContact O-N 2.86Å; G470-L473 PolarHBondContact O-N 2.93Å; L473-L476 PolarHBondContact O-N 3.09Å; L473-K477 PolarHBondContact O-N 2.96Å; L473-K477 VanDerWaalsContact O-N 3.13Å |
| 474 | E | 91.2 | Very high | 90.9 | Very high | 95 Ų | 95 | 92.9 Ų | 92.9 | 44% | 0.444 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 176.3 | -163.4 | 66 | -165.6 | 0 | 0 | 111.1 | G470 I472 L476 K477 D478 | G470-E474 PolarHBondContact O-N 2.82Å; G470-E474 VanDerWaalsContact O-N 3.11Å; I472-E474 PolarHBondContact O-N 2.88Å; E474-L476 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 2.87Å; E474-K477 WeakPolarHBondContact O-CB 3.44Å; E474-K477 PolarHBondContact O-N 3Å; E474-K477 IonicContact OE1-NZ 2.65Å; E474-K477 PolarHBondContact OE1-NZ 3.14Å; E474-K477 VanDerWaalsContact OE2-CD 3.31Å; E474-K477 WeakPolarHBondContact OE2-CD 3.44Å; E474-K477 IonicContact OE2-NZ 3.69Å; E474-K477 PolarHBondContact OE2-NZ 2.8Å; E474-D478 PolarHBondContact O-N 3.4Å |
| 475 | S | 90.9 | Very high | 90.7 | Very high | 52 Ų | 52 | 92.8 Ų | 92.8 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.3 | -36 | 174.9 | 78.5 | 0 | 0 | 0 | 0 | 113.5 | I471 I472 D478 Y479 | I471-S475 PolarHBondContact O-N 3.28Å; I471-S475 VanDerWaalsContact O-N 3.12Å; I472-S475 PolarHBondContact O-N 3.4Å; I472-S475 PolarHBondContact O-OG 3.39Å; S475-D478 PolarHBondContact O-N 3.48Å; S475-Y479 VanDerWaalsContact O-CD2 3.27Å; S475-Y479 WeakPolarHBondContact O-CD2 3.3Å; S475-Y479 PolarHBondContact O-N 3.15Å; S475-Y479 VanDerWaalsContact O-N 3.13Å |
| 476 | L | 91 | Very high | 90.6 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68 | -37.5 | 176.2 | -74.5 | 169.6 | 0 | 0 | 0 | 112 | I472 L473 E474 Y479 E480 | I472-L476 HydrophobicContact CG2-CD1 4.1Å; I472-L476 WeakPolarHBondContact O-CG 3.27Å; I472-L476 PolarHBondContact O-N 2.96Å; L473-L476 PolarHBondContact O-N 3.09Å; E474-L476 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 2.87Å; L476-Y479 WeakPolarHBondContact O-CB 3.34Å; L476-Y479 PolarHBondContact O-N 3.38Å; L476-E480 PolarHBondContact O-N 2.93Å |
| 477 | K | 91.6 | Very high | 90.3 | Very high | 97 Ų | 97 | 92.7 Ų | 92.7 | 42% | 0.422 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 175.9 | 172.9 | -168.4 | 174.7 | -156.5 | 0 | 111.8 | L473 E474 E480 N481 | L473-K477 PolarHBondContact O-N 2.96Å; L473-K477 VanDerWaalsContact O-N 3.13Å; E474-K477 WeakPolarHBondContact O-CB 3.44Å; E474-K477 PolarHBondContact O-N 3Å; E474-K477 IonicContact OE1-NZ 2.65Å; E474-K477 PolarHBondContact OE1-NZ 3.14Å; E474-K477 VanDerWaalsContact OE2-CD 3.31Å; E474-K477 WeakPolarHBondContact OE2-CD 3.44Å; E474-K477 IonicContact OE2-NZ 3.69Å; E474-K477 PolarHBondContact OE2-NZ 2.8Å; K477-E480 PolarHBondContact O-N 3.48Å; K477-N481 WeakPolarHBondContact O-CB 3.42Å; K477-N481 VanDerWaalsContact O-CG 3.23Å; K477-N481 PolarHBondContact O-N 3.16Å; K477-N481 PolarHBondContact O-ND2 3.29Å; K477-N481 VanDerWaalsContact O-ND2 3.15Å |
| 478 | D | 88.7 | Confident | 90.1 | Very high | 103 Ų | 103 | 95.5 Ų | 95.5 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 170.4 | -79.2 | -22.5 | 0 | 0 | 0 | 112.2 | E474 S475 E480 N481 G482 | E474-D478 PolarHBondContact O-N 3.4Å; S475-D478 PolarHBondContact O-N 3.48Å; D478-E480 PolarHBondContact O-N 2.84Å; D478-N481 PolarHBondContact O-N 3.11Å; D478-G482 PolarHBondContact O-N 3.48Å |
| 479 | Y | 85.1 | Confident | 90 | Very high | 171 Ų | 171 | 95.6 Ų | 95.6 | 67% | 0.671 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 172.4 | -86.8 | -70.7 | 0 | 0 | 0 | 112.3 | S475 L476 G482 H483 | S475-Y479 VanDerWaalsContact O-CD2 3.27Å; S475-Y479 WeakPolarHBondContact O-CD2 3.3Å; S475-Y479 PolarHBondContact O-N 3.15Å; S475-Y479 VanDerWaalsContact O-N 3.13Å; L476-Y479 WeakPolarHBondContact O-CB 3.34Å; L476-Y479 PolarHBondContact O-N 3.38Å; Y479-G482 CarbonylContact O-C 3.58Å; Y479-G482 PolarHBondContact O-N 2.92Å; Y479-H483 PolarHBondContact O-CD2 2.83Å; Y479-H483 VanDerWaalsContact O-CD2 3.32Å; Y479-H483 PolarHBondContact O-N 3.48Å |
| 480 | E | 92.2 | Very high | 89.9 | Confident | 106 Ų | 106 | 93.6 Ų | 93.6 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.9 | -161.3 | -159.1 | 154.2 | 0 | 0 | 111.5 | L476 K477 D478 G482 H483 K484 | L476-E480 PolarHBondContact O-N 2.93Å; K477-E480 PolarHBondContact O-N 3.48Å; D478-E480 PolarHBondContact O-N 2.84Å; E480-G482 VanDerWaalsContact C-N 3.34Å; E480-G482 PolarHBondContact O-N 3.27Å; E480-H483 WeakPolarHBondContact O-CB 3.45Å; E480-H483 PolarHBondContact O-N 3.02Å; E480-H483 VanDerWaalsContact O-N 3.09Å; E480-K484 WeakPolarHBondContact O-CG 3.41Å; E480-K484 PolarHBondContact O-N 2.81Å; E480-K484 WeakPolarHBondContact OE1-CE 3.37Å; E480-K484 IonicContact OE1-NZ 3.52Å; E480-K484 PolarHBondContact OE1-NZ 3.33Å; E480-K484 IonicContact OE2-NZ 3.38Å |
| 481 | N | 88.9 | Confident | 89.6 | Confident | 78 Ų | 78 | 96.8 Ų | 96.8 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 175 | -68.2 | -29.2 | 0 | 0 | 0 | 111.8 | K477 D478 H483 K484 S485 | K477-N481 WeakPolarHBondContact O-CB 3.42Å; K477-N481 VanDerWaalsContact O-CG 3.23Å; K477-N481 PolarHBondContact O-N 3.16Å; K477-N481 PolarHBondContact O-ND2 3.29Å; K477-N481 VanDerWaalsContact O-ND2 3.15Å; D478-N481 PolarHBondContact O-N 3.11Å; N481-H483 PolarHBondContact O-N 3.4Å; N481-K484 PolarHBondContact O-N 3Å; N481-S485 PolarHBondContact O-N 3.09Å; N481-S485 VanDerWaalsContact O-N 3.11Å; N481-S485 PolarHBondContact O-OG 3.5Å |
| 482 | G | 88.3 | Confident | 89.5 | Confident | 26 Ų | 26 | 96.9 Ų | 96.9 | 27% | 0.268 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68 | -15 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D478 Y479 E480 S485 K486 | D478-G482 PolarHBondContact O-N 3.48Å; Y479-G482 CarbonylContact O-C 3.58Å; Y479-G482 PolarHBondContact O-N 2.92Å; E480-G482 VanDerWaalsContact C-N 3.34Å; E480-G482 PolarHBondContact O-N 3.27Å; G482-S485 PolarHBondContact O-OG 2.81Å; G482-K486 VanDerWaalsContact O-CD 3.23Å; G482-K486 WeakPolarHBondContact O-CD 3.38Å; G482-K486 WeakPolarHBondContact O-CE 3.36Å; G482-K486 VanDerWaalsContact O-CG 3.3Å; G482-K486 WeakPolarHBondContact O-CG 3.03Å |
| 483 | H | 87.7 | Confident | 89.3 | Confident | 128 Ų | 128 | 97.2 Ų | 97.2 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -88.8 | -38.6 | 168.8 | -91.4 | -85.2 | 0 | 0 | 0 | 112.1 | Y479 E480 N481 S485 K486 G487 | Y479-H483 PolarHBondContact O-CD2 2.83Å; Y479-H483 VanDerWaalsContact O-CD2 3.32Å; Y479-H483 PolarHBondContact O-N 3.48Å; E480-H483 WeakPolarHBondContact O-CB 3.45Å; E480-H483 PolarHBondContact O-N 3.02Å; E480-H483 VanDerWaalsContact O-N 3.09Å; N481-H483 PolarHBondContact O-N 3.4Å; H483-S485 PolarHBondContact O-N 3.47Å; H483-K486 PolarHBondContact O-N 3.4Å; H483-G487 PolarHBondContact O-N 2.86Å |
| 484 | K | 89.2 | Confident | 89.2 | Confident | 105 Ų | 105 | 96 Ų | 96 | 46% | 0.457 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175 | -70.8 | 166.3 | -173.9 | 161.1 | 0 | 112.1 | E480 N481 K486 G487 I488 | E480-K484 WeakPolarHBondContact O-CG 3.41Å; E480-K484 PolarHBondContact O-N 2.81Å; E480-K484 WeakPolarHBondContact OE1-CE 3.37Å; E480-K484 IonicContact OE1-NZ 3.52Å; E480-K484 PolarHBondContact OE1-NZ 3.33Å; E480-K484 IonicContact OE2-NZ 3.38Å; N481-K484 PolarHBondContact O-N 3Å; K484-K486 PolarHBondContact O-N 2.95Å; K484-G487 PolarHBondContact O-N 2.99Å; K484-I488 PolarHBondContact O-N 3.2Å |
| 485 | S | 87.9 | Confident | 89 | Confident | 71 Ų | 71 | 98.2 Ų | 98.2 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -36.5 | 176.9 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | N481 G482 H483 L489 | N481-S485 PolarHBondContact O-N 3.09Å; N481-S485 VanDerWaalsContact O-N 3.11Å; N481-S485 PolarHBondContact O-OG 3.5Å; G482-S485 PolarHBondContact O-OG 2.81Å; H483-S485 PolarHBondContact O-N 3.47Å; S485-L489 PolarHBondContact O-N 3.33Å |
| 486 | K | 88.9 | Confident | 88.7 | Confident | 122 Ų | 122 | 101.4 Ų | 101.4 | 53% | 0.53 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.3 | -33.2 | 172.9 | -70.1 | 171.3 | -170.6 | 165 | 0 | 112.7 | G482 H483 K484 I490 | G482-K486 VanDerWaalsContact O-CD 3.23Å; G482-K486 WeakPolarHBondContact O-CD 3.38Å; G482-K486 WeakPolarHBondContact O-CE 3.36Å; G482-K486 VanDerWaalsContact O-CG 3.3Å; G482-K486 WeakPolarHBondContact O-CG 3.03Å; H483-K486 PolarHBondContact O-N 3.4Å; K484-K486 PolarHBondContact O-N 2.95Å; K486-I490 WeakPolarHBondContact O-CD1 3.46Å; K486-I490 VanDerWaalsContact O-CG1 3.31Å; K486-I490 WeakPolarHBondContact O-CG1 3.47Å; K486-I490 PolarHBondContact O-N 2.94Å; K486-I490 VanDerWaalsContact O-N 3.14Å |
| 487 | G | 89.8 | Confident | 88.5 | Confident | 29 Ų | 29 | 102.9 Ų | 102.9 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -52.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | H483 K484 L489 I490 D491 | H483-G487 PolarHBondContact O-N 2.86Å; K484-G487 PolarHBondContact O-N 2.99Å; G487-L489 VanDerWaalsContact C-N 3.27Å; G487-L489 PolarHBondContact O-N 3.26Å; G487-I490 WeakPolarHBondContact O-CB 3.49Å; G487-I490 PolarHBondContact O-N 2.57Å; G487-D491 PolarHBondContact O-N 2.92Å |
| 488 | I | 88.5 | Confident | 88.3 | Confident | 119 Ų | 119 | 101 Ų | 101 | 61% | 0.61 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -54.1 | -44 | 178.5 | -63.6 | 165.4 | 0 | 0 | 0 | 111.5 | K484 I490 D491 E492 | K484-I488 PolarHBondContact O-N 3.2Å; I488-I490 VanDerWaalsContact C-N 3.34Å; I488-I490 PolarHBondContact O-N 2.89Å; I488-D491 PolarHBondContact O-N 3.08Å; I488-E492 PolarHBondContact O-N 2.92Å; I488-E492 VanDerWaalsContact O-N 3.14Å |
| 489 | L | 89.7 | Confident | 88.2 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -31.8 | 177.9 | -175.8 | 65.3 | 0 | 0 | 0 | 113.3 | S485 G487 I493 | S485-L489 PolarHBondContact O-N 3.33Å; G487-L489 VanDerWaalsContact C-N 3.27Å; G487-L489 PolarHBondContact O-N 3.26Å; L489-I493 HydrophobicContact CG-CD1 4.23Å; L489-I493 WeakPolarHBondContact O-CD1 3.39Å; L489-I493 VanDerWaalsContact O-CG1 3.27Å; L489-I493 WeakPolarHBondContact O-CG1 3.22Å; L489-I493 PolarHBondContact O-N 2.7Å |
| 490 | I | 89.5 | Confident | 88.1 | Confident | 98 Ų | 98 | 96.9 Ų | 96.9 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 175.9 | -72.3 | 164.9 | 0 | 0 | 0 | 110.5 | K486 G487 I488 I493 L494 | K486-I490 WeakPolarHBondContact O-CD1 3.46Å; K486-I490 VanDerWaalsContact O-CG1 3.31Å; K486-I490 WeakPolarHBondContact O-CG1 3.47Å; K486-I490 PolarHBondContact O-N 2.94Å; K486-I490 VanDerWaalsContact O-N 3.14Å; G487-I490 WeakPolarHBondContact O-CB 3.49Å; G487-I490 PolarHBondContact O-N 2.57Å; I488-I490 VanDerWaalsContact C-N 3.34Å; I488-I490 PolarHBondContact O-N 2.89Å; I490-I493 PolarHBondContact O-N 3.25Å; I490-L494 HydrophobicContact CG2-CD1 3.99Å; I490-L494 HydrophobicContact CG2-CG 4.45Å; I490-L494 VanDerWaalsContact O-CG 3.31Å; I490-L494 WeakPolarHBondContact O-CG 3.15Å; I490-L494 PolarHBondContact O-N 2.85Å |
| 491 | D | 88.3 | Confident | 87.8 | Confident | 105 Ų | 105 | 95.7 Ų | 95.7 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 178.9 | -65.6 | -33.1 | 0 | 0 | 0 | 111.5 | G487 I488 I493 L494 E495 | G487-D491 PolarHBondContact O-N 2.92Å; I488-D491 PolarHBondContact O-N 3.08Å; D491-I493 PolarHBondContact O-N 2.69Å; D491-L494 WeakPolarHBondContact O-CB 3.3Å; D491-L494 PolarHBondContact O-N 3.13Å; D491-L494 VanDerWaalsContact O-N 3.14Å; D491-E495 PolarHBondContact O-N 3.29Å |
| 492 | E | 88.1 | Confident | 87.3 | Confident | 129 Ų | 129 | 94.8 Ų | 94.8 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.8 | -44.6 | 174.2 | -172.6 | 172.9 | -154.2 | 0 | 0 | 112.2 | I488 L494 E495 E496 | I488-E492 PolarHBondContact O-N 2.92Å; I488-E492 VanDerWaalsContact O-N 3.14Å; E492-L494 VanDerWaalsContact C-N 3.32Å; E492-L494 PolarHBondContact O-N 3.32Å; E492-E495 PolarHBondContact O-N 3.16Å; E492-E496 PolarHBondContact O-N 2.92Å |
| 493 | I | 87.5 | Confident | 87.2 | Confident | 94 Ų | 94 | 96.5 Ų | 96.5 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -33.1 | 175.9 | -68.7 | 166.6 | 0 | 0 | 0 | 111.9 | L489 I490 D491 K497 | L489-I493 HydrophobicContact CG-CD1 4.23Å; L489-I493 WeakPolarHBondContact O-CD1 3.39Å; L489-I493 VanDerWaalsContact O-CG1 3.27Å; L489-I493 WeakPolarHBondContact O-CG1 3.22Å; L489-I493 PolarHBondContact O-N 2.7Å; I490-I493 PolarHBondContact O-N 3.25Å; D491-I493 PolarHBondContact O-N 2.69Å; I493-K497 WeakPolarHBondContact O-CB 3.42Å; I493-K497 PolarHBondContact O-N 3.45Å |
| 494 | L | 89.6 | Confident | 86.9 | Confident | 91 Ų | 91 | 95.2 Ų | 95.2 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71 | -34.4 | 176.2 | -72.8 | 171.3 | 0 | 0 | 0 | 112.1 | I490 D491 E492 A498 | I490-L494 HydrophobicContact CG2-CD1 3.99Å; I490-L494 HydrophobicContact CG2-CG 4.45Å; I490-L494 VanDerWaalsContact O-CG 3.31Å; I490-L494 WeakPolarHBondContact O-CG 3.15Å; I490-L494 PolarHBondContact O-N 2.85Å; D491-L494 WeakPolarHBondContact O-CB 3.3Å; D491-L494 PolarHBondContact O-N 3.13Å; D491-L494 VanDerWaalsContact O-N 3.14Å; E492-L494 VanDerWaalsContact C-N 3.32Å; E492-L494 PolarHBondContact O-N 3.32Å; L494-A498 WeakPolarHBondContact O-CB 3.38Å; L494-A498 PolarHBondContact O-N 2.92Å |
| 495 | E | 86.7 | Confident | 86.6 | Confident | 140 Ų | 140 | 93.6 Ų | 93.6 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.3 | -43 | 173.1 | -171.7 | 167.2 | -175.4 | 0 | 0 | 112 | D491 E492 K497 A498 T499 | D491-E495 PolarHBondContact O-N 3.29Å; E492-E495 PolarHBondContact O-N 3.16Å; E495-K497 VanDerWaalsContact C-N 3.34Å; E495-K497 PolarHBondContact O-N 2.98Å; E495-A498 WeakPolarHBondContact O-CB 3.5Å; E495-A498 PolarHBondContact O-N 3.18Å; E495-A498 VanDerWaalsContact O-N 3.11Å; E495-T499 PolarHBondContact O-N 2.79Å; E495-T499 PolarHBondContact O-OG1 3.37Å |
| 496 | E | 85.1 | Confident | 86.2 | Confident | 119 Ų | 119 | 92.9 Ų | 92.9 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.9 | -46.9 | 172.8 | -167.6 | -169.2 | -175.4 | 0 | 0 | 111 | E492 A498 T499 L500 | E492-E496 PolarHBondContact O-N 2.92Å; E496-A498 VanDerWaalsContact C-N 3.29Å; E496-A498 PolarHBondContact O-N 3.45Å; E496-T499 PolarHBondContact O-N 2.88Å; E496-T499 PolarHBondContact O-OG1 3.17Å; E496-L500 HydrophobicContact CG-CD1 4.01Å; E496-L500 HydrophobicContact CG-CG 4.48Å; E496-L500 WeakPolarHBondContact O-CB 3.32Å; E496-L500 WeakPolarHBondContact O-CG 3.46Å; E496-L500 PolarHBondContact O-N 3.38Å |
| 497 | K | 87.5 | Confident | 85.9 | Confident | 133 Ų | 133 | 90.5 Ų | 90.5 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.1 | -41.7 | 174.7 | -179.2 | -161.8 | 168.7 | -165.9 | 0 | 112 | I493 E495 T501 | I493-K497 WeakPolarHBondContact O-CB 3.42Å; I493-K497 PolarHBondContact O-N 3.45Å; E495-K497 VanDerWaalsContact C-N 3.34Å; E495-K497 PolarHBondContact O-N 2.98Å; K497-T501 WeakPolarHBondContact O-CB 3.49Å; K497-T501 PolarHBondContact O-N 2.87Å; K497-T501 PolarHBondContact O-OG1 3.49Å |
| 498 | A | 86.1 | Confident | 85.7 | Confident | 58 Ų | 58 | 94.7 Ų | 94.7 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L494 E495 E496 T501 A502 | L494-A498 WeakPolarHBondContact O-CB 3.38Å; L494-A498 PolarHBondContact O-N 2.92Å; E495-A498 WeakPolarHBondContact O-CB 3.5Å; E495-A498 PolarHBondContact O-N 3.18Å; E495-A498 VanDerWaalsContact O-N 3.11Å; E496-A498 VanDerWaalsContact C-N 3.29Å; E496-A498 PolarHBondContact O-N 3.45Å; A498-T501 PolarHBondContact O-N 3.23Å; A498-A502 PolarHBondContact O-N 2.99Å |
| 499 | T | 86.6 | Confident | 85.3 | Confident | 84 Ų | 84 | 97.6 Ų | 97.6 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 178.2 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | E495 E496 T501 A502 A503 | E495-T499 PolarHBondContact O-N 2.79Å; E495-T499 PolarHBondContact O-OG1 3.37Å; E496-T499 PolarHBondContact O-N 2.88Å; E496-T499 PolarHBondContact O-OG1 3.17Å; T499-T501 VanDerWaalsContact C-N 3.32Å; T499-T501 PolarHBondContact O-N 2.77Å; T499-A502 PolarHBondContact O-N 3.04Å; T499-A503 PolarHBondContact O-N 3.18Å |
| 500 | L | 83.3 | Confident | 84.9 | Confident | 104 Ų | 104 | 99.9 Ų | 99.9 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 173.2 | -73 | 171 | 0 | 0 | 0 | 112.5 | E496 A503 L504 | E496-L500 HydrophobicContact CG-CD1 4.01Å; E496-L500 HydrophobicContact CG-CG 4.48Å; E496-L500 WeakPolarHBondContact O-CB 3.32Å; E496-L500 WeakPolarHBondContact O-CG 3.46Å; E496-L500 PolarHBondContact O-N 3.38Å; L500-A503 PolarHBondContact O-N 3.03Å; L500-L504 WeakPolarHBondContact O-CB 3.31Å; L500-L504 PolarHBondContact O-N 3.17Å |
| 501 | T | 86.2 | Confident | 84.6 | Confident | 81 Ų | 81 | 102.5 Ų | 102.5 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 177 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | K497 A498 T499 S505 | K497-T501 WeakPolarHBondContact O-CB 3.49Å; K497-T501 PolarHBondContact O-N 2.87Å; K497-T501 PolarHBondContact O-OG1 3.49Å; A498-T501 PolarHBondContact O-N 3.23Å; T499-T501 VanDerWaalsContact C-N 3.32Å; T499-T501 PolarHBondContact O-N 2.77Å; T501-S505 PolarHBondContact O-N 3.3Å |
| 502 | A | 79 | Confident | 84.2 | Confident | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A498 T499 L504 S505 A506 | A498-A502 PolarHBondContact O-N 2.99Å; T499-A502 PolarHBondContact O-N 3.04Å; A502-L504 VanDerWaalsContact C-N 3.34Å; A502-L504 PolarHBondContact O-N 3.08Å; A502-S505 PolarHBondContact O-N 2.92Å; A502-S505 PolarHBondContact O-OG 2.89Å; A502-A506 PolarHBondContact O-N 2.95Å; A502-A506 VanDerWaalsContact O-N 3.15Å |
| 503 | A | 85.2 | Confident | 83.8 | Confident | 62 Ų | 62 | 98.7 Ų | 98.7 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T499 L500 A506 S507 | T499-A503 PolarHBondContact O-N 3.18Å; L500-A503 PolarHBondContact O-N 3.03Å; A503-A506 PolarHBondContact O-N 3.15Å; A503-S507 PolarHBondContact O-N 3.08Å; A503-S507 VanDerWaalsContact O-N 3.13Å |
| 504 | L | 82.5 | Confident | 83.5 | Confident | 101 Ų | 101 | 100.2 Ų | 100.2 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 176.5 | 179.9 | 61 | 0 | 0 | 0 | 112.2 | L500 A502 S507 Q508 | L500-L504 WeakPolarHBondContact O-CB 3.31Å; L500-L504 PolarHBondContact O-N 3.17Å; A502-L504 VanDerWaalsContact C-N 3.34Å; A502-L504 PolarHBondContact O-N 3.08Å; L504-S507 PolarHBondContact O-N 3.11Å; L504-Q508 WeakPolarHBondContact O-CG 3.39Å; L504-Q508 PolarHBondContact O-N 3.12Å; L504-Q508 VanDerWaalsContact O-N 3.08Å |
| 505 | S | 82.3 | Confident | 83.3 | Confident | 71 Ų | 71 | 99.3 Ų | 99.3 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | -180 | 71.5 | 0 | 0 | 0 | 0 | 112.4 | T501 A502 Q508 Y509 | T501-S505 PolarHBondContact O-N 3.3Å; A502-S505 PolarHBondContact O-N 2.92Å; A502-S505 PolarHBondContact O-OG 2.89Å; S505-Q508 PolarHBondContact O-N 2.92Å; S505-Y509 PolarHBondContact O-N 3.38Å |
| 506 | A | 79.7 | Confident | 83.1 | Confident | 57 Ų | 57 | 98.8 Ų | 98.8 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | A502 A503 Q508 Y509 E510 | A502-A506 PolarHBondContact O-N 2.95Å; A502-A506 VanDerWaalsContact O-N 3.15Å; A503-A506 PolarHBondContact O-N 3.15Å; A506-Q508 VanDerWaalsContact C-N 3.31Å; A506-Q508 PolarHBondContact O-N 2.82Å; A506-Y509 WeakPolarHBondContact O-CB 3.49Å; A506-Y509 PolarHBondContact O-N 3.14Å; A506-E510 PolarHBondContact O-N 3.04Å; A506-E510 VanDerWaalsContact O-N 3.16Å |
| 507 | S | 82.8 | Confident | 82.9 | Confident | 71 Ų | 71 | 101.1 Ų | 101.1 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -35.9 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 113 | A503 L504 Y509 E510 K511 | A503-S507 PolarHBondContact O-N 3.08Å; A503-S507 VanDerWaalsContact O-N 3.13Å; L504-S507 PolarHBondContact O-N 3.11Å; S507-Y509 VanDerWaalsContact C-N 3.32Å; S507-Y509 PolarHBondContact O-N 3.44Å; S507-E510 PolarHBondContact O-N 3.47Å; S507-K511 PolarHBondContact O-N 3.36Å; S507-K511 VanDerWaalsContact O-N 3.16Å |
| 508 | Q | 84.7 | Confident | 82.4 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -36.8 | 172.8 | -71.5 | 178.4 | 16.3 | 0 | 0 | 112.2 | L504 S505 A506 K511 E512 | L504-Q508 WeakPolarHBondContact O-CG 3.39Å; L504-Q508 PolarHBondContact O-N 3.12Å; L504-Q508 VanDerWaalsContact O-N 3.08Å; S505-Q508 PolarHBondContact O-N 2.92Å; A506-Q508 VanDerWaalsContact C-N 3.31Å; A506-Q508 PolarHBondContact O-N 2.82Å; Q508-K511 PolarHBondContact O-N 3.46Å; Q508-E512 WeakPolarHBondContact O-CB 3.35Å; Q508-E512 PolarHBondContact O-N 3.47Å |
| 509 | Y | 81.3 | Confident | 82.3 | Confident | 181 Ų | 181 | 102.4 Ų | 102.4 | 71% | 0.71 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.6 | -37.6 | 179.3 | -142.5 | -87.6 | 0 | 0 | 0 | 112.8 | S505 A506 S507 T513 | S505-Y509 PolarHBondContact O-N 3.38Å; A506-Y509 WeakPolarHBondContact O-CB 3.49Å; A506-Y509 PolarHBondContact O-N 3.14Å; S507-Y509 VanDerWaalsContact C-N 3.32Å; S507-Y509 PolarHBondContact O-N 3.44Å; Y509-T513 WeakPolarHBondContact O-CB 3.36Å; Y509-T513 PolarHBondContact O-N 3.37Å; Y509-T513 VanDerWaalsContact O-N 3.09Å; Y509-T513 PolarHBondContact O-OG1 3.47Å |
| 510 | E | 81.6 | Confident | 82 | Confident | 144 Ų | 144 | 103.2 Ų | 103.2 | 67% | 0.673 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 172.5 | -66.8 | -171.7 | 145.9 | 0 | 0 | 111.7 | A506 S507 E512 T513 L514 | A506-E510 PolarHBondContact O-N 3.04Å; A506-E510 VanDerWaalsContact O-N 3.16Å; S507-E510 PolarHBondContact O-N 3.47Å; E510-E512 VanDerWaalsContact C-N 3.33Å; E510-E512 PolarHBondContact O-N 2.91Å; E510-T513 WeakPolarHBondContact O-CB 3.44Å; E510-T513 PolarHBondContact O-N 2.97Å; E510-T513 VanDerWaalsContact O-N 3.13Å; E510-L514 PolarHBondContact O-N 3.1Å |
| 511 | K | 82 | Confident | 81.9 | Confident | 153 Ų | 153 | 104 Ų | 104 | 67% | 0.665 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -56.6 | -45.6 | 175.8 | 179.1 | -169 | 171.3 | -168.3 | 0 | 111.8 | S507 Q508 T513 L514 N515 | S507-K511 PolarHBondContact O-N 3.36Å; S507-K511 VanDerWaalsContact O-N 3.16Å; Q508-K511 PolarHBondContact O-N 3.46Å; K511-T513 VanDerWaalsContact C-N 3.26Å; K511-T513 PolarHBondContact O-N 2.87Å; K511-L514 PolarHBondContact O-N 2.77Å; K511-N515 WeakPolarHBondContact O-CB 3.36Å; K511-N515 PolarHBondContact O-N 3.5Å |
| 512 | E | 79.6 | Confident | 81.7 | Confident | 94 Ų | 94 | 106.7 Ų | 106.7 | 44% | 0.439 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.9 | -31.8 | 179.8 | -160.1 | 56.2 | -133.8 | 0 | 0 | 112.1 | Q508 E510 K516 | Q508-E512 WeakPolarHBondContact O-CB 3.35Å; Q508-E512 PolarHBondContact O-N 3.47Å; E510-E512 VanDerWaalsContact C-N 3.33Å; E510-E512 PolarHBondContact O-N 2.91Å; E512-K516 WeakPolarHBondContact O-CG 3.44Å; E512-K516 PolarHBondContact O-N 2.97Å |
| 513 | T | 81.2 | Confident | 81.7 | Confident | 59 Ų | 59 | 108.5 Ų | 108.5 | 36% | 0.362 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.5 | -45.2 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | Y509 E510 K511 N515 K516 Y517 | Y509-T513 WeakPolarHBondContact O-CB 3.36Å; Y509-T513 PolarHBondContact O-N 3.37Å; Y509-T513 VanDerWaalsContact O-N 3.09Å; Y509-T513 PolarHBondContact O-OG1 3.47Å; E510-T513 WeakPolarHBondContact O-CB 3.44Å; E510-T513 PolarHBondContact O-N 2.97Å; E510-T513 VanDerWaalsContact O-N 3.13Å; K511-T513 VanDerWaalsContact C-N 3.26Å; K511-T513 PolarHBondContact O-N 2.87Å; T513-N515 VanDerWaalsContact C-N 3.32Å; T513-N515 PolarHBondContact O-N 2.98Å; T513-K516 PolarHBondContact O-N 3.1Å; T513-Y517 HydrophobicContact CG2-CD2 4.36Å; T513-Y517 HydrophobicContact CG2-CE2 4.02Å; T513-Y517 WeakPolarHBondContact O-CD2 3.34Å; T513-Y517 PolarHBondContact O-N 2.94Å |
| 514 | L | 80.7 | Confident | 81.5 | Confident | 127 Ų | 127 | 108.5 Ų | 108.5 | 67% | 0.665 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.9 | -38.9 | 176.3 | -172.9 | 66.7 | 0 | 0 | 0 | 112.2 | E510 K511 K516 Y517 L518 | E510-L514 PolarHBondContact O-N 3.1Å; K511-L514 PolarHBondContact O-N 2.77Å; L514-K516 VanDerWaalsContact C-N 3.33Å; L514-K516 PolarHBondContact O-N 2.71Å; L514-Y517 PolarHBondContact O-N 3.23Å; L514-L518 PolarHBondContact O-N 2.99Å |
| 515 | N | 84.2 | Confident | 81.3 | Confident | 71 Ų | 71 | 108.5 Ų | 108.5 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 176.4 | -171.1 | 37.5 | 0 | 0 | 0 | 112.1 | K511 T513 Y517 L518 I519 | K511-N515 WeakPolarHBondContact O-CB 3.36Å; K511-N515 PolarHBondContact O-N 3.5Å; T513-N515 VanDerWaalsContact C-N 3.32Å; T513-N515 PolarHBondContact O-N 2.98Å; N515-Y517 PolarHBondContact O-N 3.26Å; N515-L518 PolarHBondContact O-N 2.99Å; N515-I519 WeakPolarHBondContact O-CG1 3.31Å; N515-I519 PolarHBondContact O-N 3Å |
| 516 | K | 82.4 | Confident | 81.1 | Confident | 130 Ų | 130 | 111.3 Ų | 111.3 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | 176.7 | -69.3 | 164.8 | -173.1 | 168.5 | 0 | 112.3 | E512 T513 L514 N520 | E512-K516 WeakPolarHBondContact O-CG 3.44Å; E512-K516 PolarHBondContact O-N 2.97Å; T513-K516 PolarHBondContact O-N 3.1Å; L514-K516 VanDerWaalsContact C-N 3.33Å; L514-K516 PolarHBondContact O-N 2.71Å; K516-N520 WeakPolarHBondContact O-CB 3.25Å; K516-N520 PolarHBondContact O-N 2.81Å; K516-N520 VanDerWaalsContact O-N 3.08Å |
| 517 | Y | 80.9 | Confident | 81.1 | Confident | 168 Ų | 168 | 115.6 Ų | 115.6 | 66% | 0.659 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.4 | -41.1 | 174 | -78.3 | -70.7 | 0 | 0 | 0 | 112.4 | T513 L514 N515 N520 L521 | T513-Y517 HydrophobicContact CG2-CD2 4.36Å; T513-Y517 HydrophobicContact CG2-CE2 4.02Å; T513-Y517 WeakPolarHBondContact O-CD2 3.34Å; T513-Y517 PolarHBondContact O-N 2.94Å; L514-Y517 PolarHBondContact O-N 3.23Å; N515-Y517 PolarHBondContact O-N 3.26Å; Y517-N520 PolarHBondContact O-N 2.93Å; Y517-L521 PolarHBondContact O-N 2.92Å |
| 518 | L | 77.7 | Confident | 81 | Confident | 116 Ų | 116 | 115.7 Ų | 115.7 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.2 | -39.9 | 178.4 | -171.4 | 71.3 | 0 | 0 | 0 | 112.2 | L514 N515 L521 K522 | L514-L518 PolarHBondContact O-N 2.99Å; N515-L518 PolarHBondContact O-N 2.99Å; L518-L521 PolarHBondContact O-N 3.44Å; L518-K522 PolarHBondContact O-N 3.19Å; L518-K522 VanDerWaalsContact O-N 3.09Å |
| 519 | I | 84.5 | Confident | 80.6 | Confident | 102 Ų | 102 | 115.7 Ų | 115.7 | 52% | 0.523 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 173.8 | -68.9 | 163 | 0 | 0 | 0 | 110.8 | N515 L521 K522 D523 | N515-I519 WeakPolarHBondContact O-CG1 3.31Å; N515-I519 PolarHBondContact O-N 3Å; I519-L521 PolarHBondContact O-N 3.47Å; I519-K522 PolarHBondContact O-N 3.41Å; I519-D523 PolarHBondContact O-N 2.89Å |
| 520 | N | 81.1 | Confident | 80.4 | Confident | 101 Ų | 101 | 113.2 Ų | 113.2 | 54% | 0.54 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 178.7 | -169.5 | -69.5 | 0 | 0 | 0 | 112.3 | K516 Y517 K522 D523 N524 | K516-N520 WeakPolarHBondContact O-CB 3.25Å; K516-N520 PolarHBondContact O-N 2.81Å; K516-N520 VanDerWaalsContact O-N 3.08Å; Y517-N520 PolarHBondContact O-N 2.93Å; N520-K522 VanDerWaalsContact C-N 3.34Å; N520-K522 PolarHBondContact O-N 3.44Å; N520-D523 PolarHBondContact O-N 3.38Å; N520-N524 PolarHBondContact O-N 3.27Å; N520-N524 VanDerWaalsContact O-N 3.14Å; N520-N524 PolarHBondContact O-ND2 2.66Å; N520-N524 PolarHBondContact OD1-ND2 3Å |
| 521 | L | 81.1 | Confident | 80 | Confident | 120 Ų | 120 | 109.4 Ų | 109.4 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 174.7 | -178.9 | 60.9 | 0 | 0 | 0 | 111.9 | Y517 L518 I519 N524 L525 | Y517-L521 PolarHBondContact O-N 2.92Å; L518-L521 PolarHBondContact O-N 3.44Å; I519-L521 PolarHBondContact O-N 3.47Å; L521-N524 PolarHBondContact O-N 2.94Å; L521-L525 PolarHBondContact O-N 2.77Å |
| 522 | K | 81.3 | Confident | 79.7 | Confident | 138 Ų | 138 | 108.6 Ų | 108.6 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.5 | -38.9 | 178.9 | -169.5 | 179.5 | -179.8 | -176.4 | 0 | 112.7 | L518 I519 N520 L525 F526 | L518-K522 PolarHBondContact O-N 3.19Å; L518-K522 VanDerWaalsContact O-N 3.09Å; I519-K522 PolarHBondContact O-N 3.41Å; N520-K522 VanDerWaalsContact C-N 3.34Å; N520-K522 PolarHBondContact O-N 3.44Å; K522-L525 PolarHBondContact O-N 3.15Å; K522-F526 PolarHBondContact O-N 3.37Å; K522-F526 VanDerWaalsContact O-N 3.1Å |
| 523 | D | 78.9 | Confident | 79.7 | Confident | 95 Ų | 95 | 105.6 Ų | 105.6 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 175.6 | -174.9 | 77.5 | 0 | 0 | 0 | 112.2 | I519 N520 L525 F526 R527 | I519-D523 PolarHBondContact O-N 2.89Å; N520-D523 PolarHBondContact O-N 3.38Å; D523-L525 VanDerWaalsContact C-N 3.31Å; D523-L525 PolarHBondContact O-N 2.96Å; D523-F526 WeakPolarHBondContact O-CB 3.28Å; D523-F526 PolarHBondContact O-N 2.86Å; D523-R527 PolarHBondContact O-N 3.14Å; D523-R527 VanDerWaalsContact O-N 3.09Å |
| 524 | N | 80.9 | Confident | 79.6 | Confident | 62 Ų | 62 | 106.9 Ų | 106.9 | 33% | 0.332 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 173.7 | -77.8 | -72.3 | 0 | 0 | 0 | 112.5 | N520 L521 R527 V528 | N520-N524 PolarHBondContact O-N 3.27Å; N520-N524 VanDerWaalsContact O-N 3.14Å; N520-N524 PolarHBondContact O-ND2 2.66Å; N520-N524 PolarHBondContact OD1-ND2 3Å; L521-N524 PolarHBondContact O-N 2.94Å; N524-R527 PolarHBondContact O-N 2.96Å; N524-R527 PolarHBondContact OD1-NH1 3.19Å; N524-V528 WeakPolarHBondContact O-CG2 3.36Å; N524-V528 PolarHBondContact O-N 3.03Å; N524-V528 VanDerWaalsContact O-N 3.11Å |
| 525 | L | 78.3 | Confident | 79.5 | Confident | 102 Ų | 102 | 105 Ų | 105 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 174.2 | -168.4 | 73.9 | 0 | 0 | 0 | 111.3 | L521 K522 D523 R527 V528 E529 | L521-L525 PolarHBondContact O-N 2.77Å; K522-L525 PolarHBondContact O-N 3.15Å; D523-L525 VanDerWaalsContact C-N 3.31Å; D523-L525 PolarHBondContact O-N 2.96Å; L525-R527 VanDerWaalsContact C-N 3.34Å; L525-R527 PolarHBondContact O-N 3.29Å; L525-V528 WeakPolarHBondContact O-CB 3.39Å; L525-V528 PolarHBondContact O-N 3.08Å; L525-E529 PolarHBondContact O-N 3.07Å |
| 526 | F | 79.2 | Confident | 79.3 | Confident | 130 Ų | 130 | 110.1 Ų | 110.1 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -55.8 | -45.8 | 176.6 | -106.8 | -81.1 | 0 | 0 | 0 | 112.5 | K522 D523 V528 E529 E530 | K522-F526 PolarHBondContact O-N 3.37Å; K522-F526 VanDerWaalsContact O-N 3.1Å; D523-F526 WeakPolarHBondContact O-CB 3.28Å; D523-F526 PolarHBondContact O-N 2.86Å; F526-V528 VanDerWaalsContact C-N 3.3Å; F526-V528 PolarHBondContact O-N 3.17Å; F526-E529 PolarHBondContact O-N 3.14Å; F526-E530 PolarHBondContact O-N 3.15Å |
| 527 | R | 78.6 | Confident | 79 | Confident | 146 Ų | 146 | 111.2 Ų | 111.2 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -33.8 | 176.2 | -75.9 | 173.8 | 51.9 | -118 | -8.9 | 113.1 | D523 N524 L525 S531 | D523-R527 PolarHBondContact O-N 3.14Å; D523-R527 VanDerWaalsContact O-N 3.09Å; N524-R527 PolarHBondContact O-N 2.96Å; N524-R527 PolarHBondContact OD1-NH1 3.19Å; L525-R527 VanDerWaalsContact C-N 3.34Å; L525-R527 PolarHBondContact O-N 3.29Å; R527-S531 PolarHBondContact O-N 3.05Å; R527-S531 VanDerWaalsContact O-N 3.13Å |
| 528 | V | 80 | Confident | 78.8 | Confident | 73 Ų | 73 | 107.5 Ų | 107.5 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.4 | -45 | 174.4 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | N524 L525 F526 E530 S531 F532 | N524-V528 WeakPolarHBondContact O-CG2 3.36Å; N524-V528 PolarHBondContact O-N 3.03Å; N524-V528 VanDerWaalsContact O-N 3.11Å; L525-V528 WeakPolarHBondContact O-CB 3.39Å; L525-V528 PolarHBondContact O-N 3.08Å; F526-V528 VanDerWaalsContact C-N 3.3Å; F526-V528 PolarHBondContact O-N 3.17Å; V528-E530 PolarHBondContact O-N 2.87Å; V528-S531 PolarHBondContact O-N 3.39Å; V528-S531 VanDerWaalsContact O-N 3.16Å; V528-S531 PolarHBondContact O-OG 3.27Å; V528-F532 HydrophobicContact CG1-CD2 3.85Å; V528-F532 HydrophobicContact CG1-CE2 3.73Å; V528-F532 WeakPolarHBondContact O-CD2 3.45Å; V528-F532 PolarHBondContact O-N 2.93Å |
| 529 | E | 76.8 | Confident | 78.9 | Confident | 117 Ų | 117 | 107 Ų | 107 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 176.3 | -69.5 | -175.1 | 132.1 | 0 | 0 | 112.2 | L525 F526 S531 F532 G533 | L525-E529 PolarHBondContact O-N 3.07Å; F526-E529 PolarHBondContact O-N 3.14Å; E529-S531 PolarHBondContact O-N 3.48Å; E529-F532 PolarHBondContact O-N 2.9Å; E529-G533 PolarHBondContact O-N 3.29Å |
| 530 | E | 77.1 | Confident | 78.7 | Confident | 130 Ų | 130 | 107.4 Ų | 107.4 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.8 | -44.3 | 172.4 | -177.1 | 173.7 | -139.7 | 0 | 0 | 111.7 | F526 V528 F532 G533 I534 | F526-E530 PolarHBondContact O-N 3.15Å; V528-E530 PolarHBondContact O-N 2.87Å; E530-F532 PolarHBondContact O-N 3.21Å; E530-G533 CarbonylContact O-C 3.58Å; E530-G533 WeakPolarHBondContact O-CA 3.44Å; E530-G533 PolarHBondContact O-N 2.89Å; E530-G533 VanDerWaalsContact O-N 3.08Å; E530-I534 HydrophobicContact CG-CD1 4.22Å; E530-I534 WeakPolarHBondContact O-CG1 3.46Å; E530-I534 PolarHBondContact O-N 3.16Å |
| 531 | S | 73.8 | Confident | 78.6 | Confident | 63 Ų | 63 | 105.9 Ų | 105.9 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 178.3 | 79.7 | 0 | 0 | 0 | 0 | 112.9 | R527 V528 E529 I534 L535 | R527-S531 PolarHBondContact O-N 3.05Å; R527-S531 VanDerWaalsContact O-N 3.13Å; V528-S531 PolarHBondContact O-N 3.39Å; V528-S531 VanDerWaalsContact O-N 3.16Å; V528-S531 PolarHBondContact O-OG 3.27Å; E529-S531 PolarHBondContact O-N 3.48Å; S531-I534 PolarHBondContact O-N 3.26Å; S531-L535 PolarHBondContact O-N 3.4Å |
| 532 | F | 74.7 | Confident | 78.5 | Confident | 137 Ų | 137 | 104.9 Ų | 104.9 | 60% | 0.601 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.6 | -38.2 | 171.7 | -83.8 | -70.1 | 0 | 0 | 0 | 111.8 | V528 E529 E530 I534 L535 R536 | V528-F532 HydrophobicContact CG1-CD2 3.85Å; V528-F532 HydrophobicContact CG1-CE2 3.73Å; V528-F532 WeakPolarHBondContact O-CD2 3.45Å; V528-F532 PolarHBondContact O-N 2.93Å; E529-F532 PolarHBondContact O-N 2.9Å; E530-F532 PolarHBondContact O-N 3.21Å; F532-I534 VanDerWaalsContact C-N 3.29Å; F532-I534 PolarHBondContact O-N 3.12Å; F532-L535 PolarHBondContact O-N 3.29Å; F532-R536 WeakPolarHBondContact O-CB 3.29Å; F532-R536 PolarHBondContact O-N 3.08Å |
| 533 | G | 81.3 | Confident | 78.4 | Confident | 30 Ų | 30 | 101.5 Ų | 101.5 | 31% | 0.309 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -27.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E529 E530 R537 | E529-G533 PolarHBondContact O-N 3.29Å; E530-G533 CarbonylContact O-C 3.58Å; E530-G533 WeakPolarHBondContact O-CA 3.44Å; E530-G533 PolarHBondContact O-N 2.89Å; E530-G533 VanDerWaalsContact O-N 3.08Å; G533-R537 PolarHBondContact O-NE 3.19Å; G533-R537 PolarHBondContact O-NH2 2.88Å; G533-R537 VanDerWaalsContact O-NH2 3.12Å |
| 534 | I | 79.1 | Confident | 78.4 | Confident | 87 Ų | 87 | 100 Ų | 100 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.2 | -52.6 | 170.4 | -67.7 | 164.4 | 0 | 0 | 0 | 109.8 | E530 S531 F532 R536 R537 E538 | E530-I534 HydrophobicContact CG-CD1 4.22Å; E530-I534 WeakPolarHBondContact O-CG1 3.46Å; E530-I534 PolarHBondContact O-N 3.16Å; S531-I534 PolarHBondContact O-N 3.26Å; F532-I534 VanDerWaalsContact C-N 3.29Å; F532-I534 PolarHBondContact O-N 3.12Å; I534-R536 VanDerWaalsContact C-N 3.26Å; I534-R536 PolarHBondContact O-N 2.86Å; I534-R537 PolarHBondContact O-N 3.27Å; I534-R537 VanDerWaalsContact O-N 3.16Å; I534-E538 PolarHBondContact O-N 3.01Å; I534-E538 VanDerWaalsContact O-N 3.09Å |
| 535 | L | 78.2 | Confident | 78.3 | Confident | 88 Ų | 88 | 103.1 Ų | 103.1 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.9 | -37.4 | -177.9 | -172.4 | 67.7 | 0 | 0 | 0 | 112.5 | S531 F532 E538 I539 | S531-L535 PolarHBondContact O-N 3.4Å; F532-L535 PolarHBondContact O-N 3.29Å; L535-E538 PolarHBondContact O-N 3.36Å; L535-I539 HydrophobicContact CG-CD1 4.19Å; L535-I539 WeakPolarHBondContact O-CG1 3.42Å; L535-I539 PolarHBondContact O-N 2.85Å |
| 536 | R | 80.6 | Confident | 78.4 | Confident | 177 Ų | 177 | 103.3 Ų | 103.3 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -46.3 | 177.8 | -159.8 | 178.9 | -156.3 | 151.3 | 5.9 | 112.4 | F532 I534 E538 I539 E540 | F532-R536 WeakPolarHBondContact O-CB 3.29Å; F532-R536 PolarHBondContact O-N 3.08Å; I534-R536 VanDerWaalsContact C-N 3.26Å; I534-R536 PolarHBondContact O-N 2.86Å; R536-E538 VanDerWaalsContact C-N 3.29Å; R536-E538 PolarHBondContact O-N 3.1Å; R536-I539 PolarHBondContact O-N 2.93Å; R536-E540 WeakPolarHBondContact O-CG 3.23Å; R536-E540 PolarHBondContact O-N 2.99Å |
| 537 | R | 75.8 | Confident | 78.4 | Confident | 154 Ų | 154 | 101.2 Ų | 101.2 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -34.3 | 174 | -85 | 174.3 | -74.4 | 146.2 | -7.4 | 112.4 | G533 I534 S541 | G533-R537 PolarHBondContact O-NE 3.19Å; G533-R537 PolarHBondContact O-NH2 2.88Å; G533-R537 VanDerWaalsContact O-NH2 3.12Å; I534-R537 PolarHBondContact O-N 3.27Å; I534-R537 VanDerWaalsContact O-N 3.16Å; R537-S541 WeakPolarHBondContact O-CB 3.41Å; R537-S541 PolarHBondContact O-N 2.91Å; R537-S541 PolarHBondContact O-OG 2.63Å |
| 538 | E | 76.3 | Confident | 78.5 | Confident | 90 Ų | 90 | 99.7 Ų | 99.7 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72 | -34.6 | 177 | -147.2 | -163.7 | 157.7 | 0 | 0 | 112.6 | I534 L535 R536 S541 K542 | I534-E538 PolarHBondContact O-N 3.01Å; I534-E538 VanDerWaalsContact O-N 3.09Å; L535-E538 PolarHBondContact O-N 3.36Å; R536-E538 VanDerWaalsContact C-N 3.29Å; R536-E538 PolarHBondContact O-N 3.1Å; E538-S541 PolarHBondContact O-OG 2.92Å; E538-S541 VanDerWaalsContact O-OG 3.13Å; E538-K542 WeakPolarHBondContact O-CB 3.42Å; E538-K542 VanDerWaalsContact O-CG 3.28Å; E538-K542 WeakPolarHBondContact O-CG 3.15Å; E538-K542 PolarHBondContact O-N 2.6Å; E538-K542 VanDerWaalsContact O-N 3.1Å; E538-K542 WeakPolarHBondContact OE1-CE 3.44Å; E538-K542 IonicContact OE1-NZ 2.74Å; E538-K542 PolarHBondContact OE1-NZ 3.41Å |
| 539 | I | 79.7 | Confident | 78.2 | Confident | 105 Ų | 105 | 101.2 Ų | 101.2 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 171.7 | -70.3 | 167.4 | 0 | 0 | 0 | 110.6 | L535 R536 K542 S543 | L535-I539 HydrophobicContact CG-CD1 4.19Å; L535-I539 WeakPolarHBondContact O-CG1 3.42Å; L535-I539 PolarHBondContact O-N 2.85Å; R536-I539 PolarHBondContact O-N 2.93Å; I539-K542 PolarHBondContact O-N 3.39Å; I539-S543 VanDerWaalsContact O-CB 3.24Å; I539-S543 WeakPolarHBondContact O-CB 3.39Å; I539-S543 PolarHBondContact O-N 3.07Å |
| 540 | E | 80.3 | Confident | 78.3 | Confident | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 178 | -73.7 | 163.2 | 176.7 | 0 | 0 | 111.9 | R536 S543 A544 | R536-E540 WeakPolarHBondContact O-CG 3.23Å; R536-E540 PolarHBondContact O-N 2.99Å; E540-S543 WeakPolarHBondContact O-CB 3.42Å; E540-S543 PolarHBondContact O-N 3.16Å; E540-A544 PolarHBondContact O-N 2.86Å |
| 541 | S | 78.2 | Confident | 78.4 | Confident | 69 Ų | 69 | 95.6 Ų | 95.6 | 48% | 0.483 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 176.7 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | R537 E538 S543 A544 Q545 | R537-S541 WeakPolarHBondContact O-CB 3.41Å; R537-S541 PolarHBondContact O-N 2.91Å; R537-S541 PolarHBondContact O-OG 2.63Å; E538-S541 PolarHBondContact O-OG 2.92Å; E538-S541 VanDerWaalsContact O-OG 3.13Å; S541-S543 VanDerWaalsContact C-N 3.33Å; S541-S543 PolarHBondContact O-N 3.26Å; S541-A544 PolarHBondContact O-N 3.41Å; S541-Q545 WeakPolarHBondContact O-CB 3.38Å; S541-Q545 PolarHBondContact O-N 3.37Å |
| 542 | K | 78.8 | Confident | 78.6 | Confident | 100 Ų | 100 | 97.9 Ų | 97.9 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -35.5 | 172.5 | -69.4 | -179 | -149.5 | -61.5 | 0 | 112 | E538 I539 Q545 I546 | E538-K542 WeakPolarHBondContact O-CB 3.42Å; E538-K542 VanDerWaalsContact O-CG 3.28Å; E538-K542 WeakPolarHBondContact O-CG 3.15Å; E538-K542 PolarHBondContact O-N 2.6Å; E538-K542 VanDerWaalsContact O-N 3.1Å; E538-K542 WeakPolarHBondContact OE1-CE 3.44Å; E538-K542 IonicContact OE1-NZ 2.74Å; E538-K542 PolarHBondContact OE1-NZ 3.41Å; I539-K542 PolarHBondContact O-N 3.39Å; K542-Q545 PolarHBondContact O-N 3.22Å; K542-I546 VanDerWaalsContact O-CG1 3.3Å; K542-I546 WeakPolarHBondContact O-CG1 3.41Å; K542-I546 PolarHBondContact O-N 3.36Å |
| 543 | S | 80.8 | Confident | 78.9 | Confident | 67 Ų | 67 | 97.9 Ų | 97.9 | 47% | 0.469 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 175.6 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | I539 E540 S541 Q545 I546 V547 | I539-S543 VanDerWaalsContact O-CB 3.24Å; I539-S543 WeakPolarHBondContact O-CB 3.39Å; I539-S543 PolarHBondContact O-N 3.07Å; E540-S543 WeakPolarHBondContact O-CB 3.42Å; E540-S543 PolarHBondContact O-N 3.16Å; S541-S543 VanDerWaalsContact C-N 3.33Å; S541-S543 PolarHBondContact O-N 3.26Å; S543-Q545 VanDerWaalsContact C-N 3.32Å; S543-Q545 PolarHBondContact O-N 3.25Å; S543-I546 PolarHBondContact O-N 3.46Å; S543-I546 VanDerWaalsContact O-N 3.15Å; S543-V547 PolarHBondContact O-N 3Å |
| 544 | A | 77.2 | Confident | 78.8 | Confident | 62 Ų | 62 | 100.1 Ų | 100.1 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E540 S541 I546 V547 E548 | E540-A544 PolarHBondContact O-N 2.86Å; S541-A544 PolarHBondContact O-N 3.41Å; A544-I546 VanDerWaalsContact C-N 3.3Å; A544-I546 PolarHBondContact O-N 3.24Å; A544-V547 PolarHBondContact O-N 2.91Å; A544-V547 VanDerWaalsContact O-N 3.11Å; A544-E548 PolarHBondContact O-N 3Å |
| 545 | Q | 78.8 | Confident | 78.9 | Confident | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.9 | -30.4 | 177.5 | -169.7 | 169.9 | 78.1 | 0 | 0 | 113.4 | S541 K542 S543 L549 | S541-Q545 WeakPolarHBondContact O-CB 3.38Å; S541-Q545 PolarHBondContact O-N 3.37Å; K542-Q545 PolarHBondContact O-N 3.22Å; S543-Q545 VanDerWaalsContact C-N 3.32Å; S543-Q545 PolarHBondContact O-N 3.25Å; Q545-L549 WeakPolarHBondContact O-CB 3.18Å; Q545-L549 VanDerWaalsContact O-CG 3.3Å; Q545-L549 WeakPolarHBondContact O-CG 3.28Å; Q545-L549 PolarHBondContact O-N 3.38Å; Q545-L549 VanDerWaalsContact O-N 3.07Å |
| 546 | I | 80.4 | Confident | 78.7 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 54% | 0.544 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.8 | -35.3 | 172.5 | -71.1 | 165 | 0 | 0 | 0 | 111.5 | K542 S543 A544 L549 T550 | K542-I546 VanDerWaalsContact O-CG1 3.3Å; K542-I546 WeakPolarHBondContact O-CG1 3.41Å; K542-I546 PolarHBondContact O-N 3.36Å; S543-I546 PolarHBondContact O-N 3.46Å; S543-I546 VanDerWaalsContact O-N 3.15Å; A544-I546 VanDerWaalsContact C-N 3.3Å; A544-I546 PolarHBondContact O-N 3.24Å; I546-L549 PolarHBondContact O-N 3.48Å; I546-T550 HydrophobicContact CG2-CG2 4.5Å; I546-T550 WeakPolarHBondContact O-CB 3.45Å; I546-T550 WeakPolarHBondContact O-CG2 3.41Å; I546-T550 PolarHBondContact O-N 3.2Å; I546-T550 PolarHBondContact O-OG1 2.86Å |
| 547 | V | 81 | Confident | 78.6 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 52% | 0.515 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 173.5 | 175.4 | 0 | 0 | 0 | 0 | 111 | S543 A544 T550 T551 | S543-V547 PolarHBondContact O-N 3Å; A544-V547 PolarHBondContact O-N 2.91Å; A544-V547 VanDerWaalsContact O-N 3.11Å; V547-T550 WeakPolarHBondContact CA-OG1 3.43Å; V547-T550 PolarHBondContact O-N 3.02Å; V547-T550 PolarHBondContact O-OG1 2.96Å; V547-T551 WeakPolarHBondContact O-CB 3.27Å; V547-T551 WeakPolarHBondContact O-CG2 3.41Å; V547-T551 PolarHBondContact O-N 3.18Å; V547-T551 PolarHBondContact O-OG1 2.99Å |
| 548 | E | 79.3 | Confident | 78.8 | Confident | 114 Ų | 114 | 94.7 Ų | 94.7 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.8 | -50.3 | 172.3 | -169 | 75.4 | -137.2 | 0 | 0 | 111.2 | A544 T550 T551 Q552 | A544-E548 PolarHBondContact O-N 3Å; E548-T550 PolarHBondContact O-N 3.32Å; E548-T551 PolarHBondContact O-N 2.93Å; E548-T551 PolarHBondContact O-OG1 2.92Å; E548-Q552 WeakPolarHBondContact O-CG 3.49Å; E548-Q552 PolarHBondContact O-N 2.96Å |
| 549 | L | 73.4 | Confident | 79 | Confident | 106 Ų | 106 | 96.4 Ų | 96.4 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.4 | -34 | -179.7 | -72.7 | 169.2 | 0 | 0 | 0 | 113.6 | Q545 I546 R553 | Q545-L549 WeakPolarHBondContact O-CB 3.18Å; Q545-L549 VanDerWaalsContact O-CG 3.3Å; Q545-L549 WeakPolarHBondContact O-CG 3.28Å; Q545-L549 PolarHBondContact O-N 3.38Å; Q545-L549 VanDerWaalsContact O-N 3.07Å; I546-L549 PolarHBondContact O-N 3.48Å; L549-R553 WeakPolarHBondContact O-CB 3.36Å; L549-R553 PolarHBondContact O-N 2.97Å |
| 550 | T | 78.7 | Confident | 78.9 | Confident | 50 Ų | 50 | 95.4 Ų | 95.4 | 31% | 0.307 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.4 | -38 | 177.2 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | I546 V547 E548 R553 D554 | I546-T550 HydrophobicContact CG2-CG2 4.5Å; I546-T550 WeakPolarHBondContact O-CB 3.45Å; I546-T550 WeakPolarHBondContact O-CG2 3.41Å; I546-T550 PolarHBondContact O-N 3.2Å; I546-T550 PolarHBondContact O-OG1 2.86Å; V547-T550 WeakPolarHBondContact CA-OG1 3.43Å; V547-T550 PolarHBondContact O-N 3.02Å; V547-T550 PolarHBondContact O-OG1 2.96Å; E548-T550 PolarHBondContact O-N 3.32Å; T550-R553 WeakPolarHBondContact O-CB 3.39Å; T550-R553 PolarHBondContact O-N 3.19Å; T550-D554 VanDerWaalsContact O-CG 3.28Å; T550-D554 PolarHBondContact O-N 3.04Å |
| 551 | T | 79.8 | Confident | 79 | Confident | 78 Ų | 78 | 96.8 Ų | 96.8 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 172.6 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | V547 E548 D554 N555 | V547-T551 WeakPolarHBondContact O-CB 3.27Å; V547-T551 WeakPolarHBondContact O-CG2 3.41Å; V547-T551 PolarHBondContact O-N 3.18Å; V547-T551 PolarHBondContact O-OG1 2.99Å; E548-T551 PolarHBondContact O-N 2.93Å; E548-T551 PolarHBondContact O-OG1 2.92Å; T551-D554 PolarHBondContact O-N 3.31Å; T551-N555 WeakPolarHBondContact O-CB 3.37Å; T551-N555 PolarHBondContact O-N 2.85Å |
| 552 | Q | 78.3 | Confident | 79.2 | Confident | 112 Ų | 112 | 99.5 Ų | 99.5 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 170.7 | -73.3 | -176.3 | 21.6 | 0 | 0 | 112.6 | E548 D554 N555 M556 | E548-Q552 WeakPolarHBondContact O-CG 3.49Å; E548-Q552 PolarHBondContact O-N 2.96Å; Q552-D554 VanDerWaalsContact C-N 3.32Å; Q552-D554 PolarHBondContact O-N 2.75Å; Q552-N555 PolarHBondContact O-N 2.91Å; Q552-M556 WeakPolarHBondContact O-CB 3.48Å; Q552-M556 PolarHBondContact O-N 3.39Å |
| 553 | R | 81.6 | Confident | 79.1 | Confident | 136 Ų | 136 | 99.8 Ų | 99.8 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -54.6 | -48.1 | 173.4 | 176.5 | -157.3 | 69.5 | -159.3 | -6.6 | 111.1 | L549 T550 M556 A557 | L549-R553 WeakPolarHBondContact O-CB 3.36Å; L549-R553 PolarHBondContact O-N 2.97Å; T550-R553 WeakPolarHBondContact O-CB 3.39Å; T550-R553 PolarHBondContact O-N 3.19Å; R553-M556 PolarHBondContact O-N 3.38Å; R553-A557 WeakPolarHBondContact O-CB 3.45Å; R553-A557 PolarHBondContact O-N 2.92Å |
| 554 | D | 79.4 | Confident | 78.9 | Confident | 78 Ų | 78 | 104.5 Ų | 104.5 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.4 | -37.9 | -174.1 | -66.6 | -20.7 | 0 | 0 | 0 | 112.2 | T550 T551 Q552 M556 A557 E558 | T550-D554 VanDerWaalsContact O-CG 3.28Å; T550-D554 PolarHBondContact O-N 3.04Å; T551-D554 PolarHBondContact O-N 3.31Å; Q552-D554 VanDerWaalsContact C-N 3.32Å; Q552-D554 PolarHBondContact O-N 2.75Å; D554-M556 VanDerWaalsContact C-N 3.28Å; D554-M556 PolarHBondContact O-N 3.33Å; D554-A557 PolarHBondContact O-N 3.41Å; D554-E558 WeakPolarHBondContact O-CB 3.44Å; D554-E558 PolarHBondContact O-N 3.29Å |
| 555 | N | 80.4 | Confident | 79 | Confident | 81 Ų | 81 | 105.7 Ų | 105.7 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 170.8 | -163.5 | -77.4 | 0 | 0 | 0 | 112 | T551 Q552 K559 | T551-N555 WeakPolarHBondContact O-CB 3.37Å; T551-N555 PolarHBondContact O-N 2.85Å; Q552-N555 PolarHBondContact O-N 2.91Å; N555-K559 PolarHBondContact O-N 3.48Å; N555-K559 VanDerWaalsContact O-N 3.13Å; N555-K559 PolarHBondContact OD1-NZ 2.9Å |
| 556 | M | 74.4 | Confident | 79.1 | Confident | 120 Ų | 120 | 103.2 Ų | 103.2 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.9 | -38.7 | 176 | -166.2 | 174.4 | 71.9 | 0 | 0 | 112.2 | Q552 R553 D554 K559 I560 | Q552-M556 WeakPolarHBondContact O-CB 3.48Å; Q552-M556 PolarHBondContact O-N 3.39Å; R553-M556 PolarHBondContact O-N 3.38Å; D554-M556 VanDerWaalsContact C-N 3.28Å; D554-M556 PolarHBondContact O-N 3.33Å; M556-K559 PolarHBondContact O-N 3.31Å; M556-I560 HydrophobicContact CG-CD1 4.23Å; M556-I560 VanDerWaalsContact O-CG1 3.3Å; M556-I560 WeakPolarHBondContact O-CG1 3.41Å; M556-I560 PolarHBondContact O-N 2.96Å |
| 557 | A | 78.4 | Confident | 79 | Confident | 50 Ų | 50 | 103.6 Ų | 103.6 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | R553 D554 I560 K561 | R553-A557 WeakPolarHBondContact O-CB 3.45Å; R553-A557 PolarHBondContact O-N 2.92Å; D554-A557 PolarHBondContact O-N 3.41Å; A557-I560 PolarHBondContact O-N 3.09Å; A557-K561 PolarHBondContact O-N 3.13Å |
| 558 | E | 79.4 | Confident | 79 | Confident | 141 Ų | 141 | 102.1 Ų | 102.1 | 66% | 0.659 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | 174.6 | -171.7 | 172 | -120.7 | 0 | 0 | 111.7 | D554 I560 K561 F562 | D554-E558 WeakPolarHBondContact O-CB 3.44Å; D554-E558 PolarHBondContact O-N 3.29Å; E558-I560 PolarHBondContact O-N 3.07Å; E558-K561 PolarHBondContact O-N 3.25Å; E558-F562 WeakPolarHBondContact O-CB 3.42Å; E558-F562 PolarHBondContact O-N 3.03Å |
| 559 | K | 80.8 | Confident | 79.1 | Confident | 126 Ų | 126 | 101 Ų | 101 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 171 | -84.9 | 169.5 | 177.7 | 139.4 | 0 | 113 | N555 M556 K561 F562 L563 | N555-K559 PolarHBondContact O-N 3.48Å; N555-K559 VanDerWaalsContact O-N 3.13Å; N555-K559 PolarHBondContact OD1-NZ 2.9Å; M556-K559 PolarHBondContact O-N 3.31Å; K559-K561 VanDerWaalsContact C-N 3.34Å; K559-F562 PolarHBondContact O-N 2.89Å; K559-L563 WeakPolarHBondContact O-CB 3.31Å; K559-L563 VanDerWaalsContact O-CG 3.3Å; K559-L563 WeakPolarHBondContact O-CG 3.46Å; K559-L563 PolarHBondContact O-N 3.31Å |
| 560 | I | 78.3 | Confident | 79.4 | Confident | 84 Ų | 84 | 103 Ų | 103 | 43% | 0.431 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.9 | -71.7 | 163.9 | 0 | 0 | 0 | 110.2 | M556 A557 E558 L563 Y564 | M556-I560 HydrophobicContact CG-CD1 4.23Å; M556-I560 VanDerWaalsContact O-CG1 3.3Å; M556-I560 WeakPolarHBondContact O-CG1 3.41Å; M556-I560 PolarHBondContact O-N 2.96Å; A557-I560 PolarHBondContact O-N 3.09Å; E558-I560 PolarHBondContact O-N 3.07Å; I560-L563 PolarHBondContact O-N 3.31Å; I560-Y564 HydrophobicContact CG2-CD2 4Å; I560-Y564 HydrophobicContact CG2-CE2 4.22Å; I560-Y564 WeakPolarHBondContact O-CD2 3.3Å; I560-Y564 PolarHBondContact O-N 3.29Å |
| 561 | K | 81.6 | Confident | 79.4 | Confident | 138 Ų | 138 | 109 Ų | 109 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.1 | -48 | 176.4 | -171.6 | -176.3 | 174.7 | -170 | 0 | 112 | A557 E558 K559 L563 Y564 D565 | A557-K561 PolarHBondContact O-N 3.13Å; E558-K561 PolarHBondContact O-N 3.25Å; K559-K561 VanDerWaalsContact C-N 3.34Å; K561-L563 VanDerWaalsContact C-N 3.29Å; K561-L563 PolarHBondContact O-N 3.02Å; K561-Y564 WeakPolarHBondContact O-CA 3.14Å; K561-Y564 WeakPolarHBondContact O-CB 3.49Å; K561-Y564 PolarHBondContact O-N 2.76Å; K561-D565 PolarHBondContact O-N 2.96Å |
| 562 | F | 82.4 | Confident | 79.4 | Confident | 126 Ų | 126 | 110.6 Ų | 110.6 | 55% | 0.553 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.4 | -39.7 | 176 | 176 | -97.3 | 0 | 0 | 0 | 112.7 | E558 K559 D565 Q566 | E558-F562 WeakPolarHBondContact O-CB 3.42Å; E558-F562 PolarHBondContact O-N 3.03Å; K559-F562 PolarHBondContact O-N 2.89Å; F562-D565 PolarHBondContact O-N 3.41Å; F562-Q566 HydrophobicContact CE1-CG 4.25Å; F562-Q566 VanDerWaalsContact CE1-NE2 3.26Å; F562-Q566 HydrophobicContact CZ-CG 4.36Å; F562-Q566 VanDerWaalsContact CZ-NE2 3.29Å; F562-Q566 PolarHBondContact O-N 2.91Å |
| 563 | L | 77.4 | Confident | 79.6 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.3 | -35.8 | 174.9 | -71.1 | 169.7 | 0 | 0 | 0 | 112.6 | K559 I560 K561 L567 | K559-L563 WeakPolarHBondContact O-CB 3.31Å; K559-L563 VanDerWaalsContact O-CG 3.3Å; K559-L563 WeakPolarHBondContact O-CG 3.46Å; K559-L563 PolarHBondContact O-N 3.31Å; I560-L563 PolarHBondContact O-N 3.31Å; K561-L563 VanDerWaalsContact C-N 3.29Å; K561-L563 PolarHBondContact O-N 3.02Å; L563-L567 VanDerWaalsContact O-CB 3.32Å; L563-L567 WeakPolarHBondContact O-CB 3.37Å; L563-L567 PolarHBondContact O-N 3.48Å |
| 564 | Y | 77 | Confident | 79.5 | Confident | 167 Ų | 167 | 107.2 Ų | 107.2 | 66% | 0.655 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 172 | -101.2 | -79.6 | 0 | 0 | 0 | 112.3 | I560 K561 L567 S568 | I560-Y564 HydrophobicContact CG2-CD2 4Å; I560-Y564 HydrophobicContact CG2-CE2 4.22Å; I560-Y564 WeakPolarHBondContact O-CD2 3.3Å; I560-Y564 PolarHBondContact O-N 3.29Å; K561-Y564 WeakPolarHBondContact O-CA 3.14Å; K561-Y564 WeakPolarHBondContact O-CB 3.49Å; K561-Y564 PolarHBondContact O-N 2.76Å; Y564-L567 PolarHBondContact O-N 3.5Å; Y564-S568 WeakPolarHBondContact O-CB 3.36Å; Y564-S568 PolarHBondContact O-N 3.49Å |
| 565 | D | 78.9 | Confident | 79.5 | Confident | 86 Ų | 86 | 106.8 Ų | 106.8 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 177.4 | -71 | -34.6 | 0 | 0 | 0 | 110.9 | K561 F562 L567 S568 D569 | K561-D565 PolarHBondContact O-N 2.96Å; F562-D565 PolarHBondContact O-N 3.41Å; D565-L567 PolarHBondContact O-N 2.95Å; D565-S568 WeakPolarHBondContact O-CB 3.42Å; D565-S568 PolarHBondContact O-N 2.86Å; D565-D569 PolarHBondContact O-N 3.08Å |
| 566 | Q | 80.4 | Confident | 79.4 | Confident | 77 Ų | 77 | 110.4 Ų | 110.4 | 36% | 0.36 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 170.3 | -80.5 | -160.6 | 1.1 | 0 | 0 | 112.5 | F562 S568 D569 Y570 | F562-Q566 HydrophobicContact CE1-CG 4.25Å; F562-Q566 VanDerWaalsContact CE1-NE2 3.26Å; F562-Q566 HydrophobicContact CZ-CG 4.36Å; F562-Q566 VanDerWaalsContact CZ-NE2 3.29Å; F562-Q566 PolarHBondContact O-N 2.91Å; Q566-S568 VanDerWaalsContact C-N 3.28Å; Q566-S568 PolarHBondContact O-N 2.95Å; Q566-D569 PolarHBondContact O-N 3.39Å; Q566-Y570 HydrophobicContact CB-CD2 4.38Å; Q566-Y570 HydrophobicContact CB-CE2 4.21Å; Q566-Y570 WeakPolarHBondContact O-CD2 3.49Å; Q566-Y570 PolarHBondContact O-N 3.37Å |
| 567 | L | 77.8 | Confident | 79.5 | Confident | 114 Ų | 114 | 109.4 Ų | 109.4 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -36.7 | -178.7 | -167.5 | 69.9 | 0 | 0 | 0 | 111.5 | L563 Y564 D565 W571 | L563-L567 VanDerWaalsContact O-CB 3.32Å; L563-L567 WeakPolarHBondContact O-CB 3.37Å; L563-L567 PolarHBondContact O-N 3.48Å; Y564-L567 PolarHBondContact O-N 3.5Å; D565-L567 PolarHBondContact O-N 2.95Å; L567-W571 WeakPolarHBondContact O-CB 3.38Å; L567-W571 PolarHBondContact O-N 3.16Å |
| 568 | S | 81.3 | Confident | 79.6 | Confident | 54 Ų | 54 | 113.1 Ų | 113.1 | 38% | 0.378 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 173.1 | -172.9 | 0 | 0 | 0 | 0 | 112 | Y564 D565 Q566 W571 K572 | Y564-S568 WeakPolarHBondContact O-CB 3.36Å; Y564-S568 PolarHBondContact O-N 3.49Å; D565-S568 WeakPolarHBondContact O-CB 3.42Å; D565-S568 PolarHBondContact O-N 2.86Å; Q566-S568 VanDerWaalsContact C-N 3.28Å; Q566-S568 PolarHBondContact O-N 2.95Å; S568-W571 PolarHBondContact O-N 2.97Å; S568-K572 WeakPolarHBondContact O-CE 3.48Å; S568-K572 VanDerWaalsContact O-CG 3.3Å; S568-K572 WeakPolarHBondContact O-CG 3.44Å; S568-K572 PolarHBondContact O-N 2.96Å; S568-K572 VanDerWaalsContact O-N 3.1Å; S568-K572 WeakPolarHBondContact OG-CE 3.35Å; S568-K572 PolarHBondContact OG-NZ 3.36Å |
| 569 | D | 81.7 | Confident | 79.5 | Confident | 91 Ų | 91 | 113 Ų | 113 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72 | -41.2 | 177.9 | -76.8 | -17.6 | 0 | 0 | 0 | 113 | D565 Q566 W571 K572 V573 | D565-D569 PolarHBondContact O-N 3.08Å; Q566-D569 PolarHBondContact O-N 3.39Å; D569-W571 VanDerWaalsContact C-N 3.27Å; D569-W571 PolarHBondContact O-N 3.21Å; D569-K572 PolarHBondContact O-N 3.18Å; D569-K572 IonicContact OD1-NZ 2.65Å; D569-K572 PolarHBondContact OD1-NZ 3.07Å; D569-V573 WeakPolarHBondContact O-CG2 3.45Å; D569-V573 PolarHBondContact O-N 2.96Å; D569-V573 VanDerWaalsContact O-N 3.09Å |
| 570 | Y | 78.4 | Confident | 79.3 | Confident | 148 Ų | 148 | 112.9 Ų | 112.9 | 58% | 0.58 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.4 | -39.9 | 170.9 | -74.3 | -59.8 | 0 | 0 | 0 | 111.8 | Q566 V573 I574 | Q566-Y570 HydrophobicContact CB-CD2 4.38Å; Q566-Y570 HydrophobicContact CB-CE2 4.21Å; Q566-Y570 WeakPolarHBondContact O-CD2 3.49Å; Q566-Y570 PolarHBondContact O-N 3.37Å; Y570-V573 PolarHBondContact O-N 3.46Å; Y570-I574 VanDerWaalsContact O-CG1 3.32Å; Y570-I574 WeakPolarHBondContact O-CG1 3.23Å; Y570-I574 PolarHBondContact O-N 2.95Å |
| 571 | W | 78.8 | Confident | 79.2 | Confident | 175 Ų | 175 | 113.5 Ų | 113.5 | 66% | 0.663 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 177.3 | -164.8 | -102.8 | 0 | 0 | 0 | 112.5 | L567 S568 D569 V573 I574 E575 | L567-W571 WeakPolarHBondContact O-CB 3.38Å; L567-W571 PolarHBondContact O-N 3.16Å; S568-W571 PolarHBondContact O-N 2.97Å; D569-W571 VanDerWaalsContact C-N 3.27Å; D569-W571 PolarHBondContact O-N 3.21Å; W571-V573 VanDerWaalsContact C-N 3.31Å; W571-V573 PolarHBondContact O-N 3.38Å; W571-I574 PolarHBondContact O-N 3.35Å; W571-E575 WeakPolarHBondContact O-CB 3.33Å; W571-E575 PolarHBondContact O-N 2.86Å |
| 572 | K | 81 | Confident | 78.9 | Confident | 112 Ų | 112 | 111.9 Ų | 111.9 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 174.6 | -66.6 | 162.1 | -152.8 | 160.7 | 0 | 112.5 | S568 D569 K576 | S568-K572 WeakPolarHBondContact O-CE 3.48Å; S568-K572 VanDerWaalsContact O-CG 3.3Å; S568-K572 WeakPolarHBondContact O-CG 3.44Å; S568-K572 PolarHBondContact O-N 2.96Å; S568-K572 VanDerWaalsContact O-N 3.1Å; S568-K572 WeakPolarHBondContact OG-CE 3.35Å; S568-K572 PolarHBondContact OG-NZ 3.36Å; D569-K572 PolarHBondContact O-N 3.18Å; D569-K572 IonicContact OD1-NZ 2.65Å; D569-K572 PolarHBondContact OD1-NZ 3.07Å; K572-K576 PolarHBondContact O-N 3.05Å |
| 573 | V | 82.1 | Confident | 78.4 | Confident | 85 Ų | 85 | 112.5 Ų | 112.5 | 52% | 0.515 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.5 | -45.8 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | D569 Y570 W571 E575 K576 L577 | D569-V573 WeakPolarHBondContact O-CG2 3.45Å; D569-V573 PolarHBondContact O-N 2.96Å; D569-V573 VanDerWaalsContact O-N 3.09Å; Y570-V573 PolarHBondContact O-N 3.46Å; W571-V573 VanDerWaalsContact C-N 3.31Å; W571-V573 PolarHBondContact O-N 3.38Å; V573-E575 VanDerWaalsContact C-N 3.33Å; V573-E575 PolarHBondContact O-N 3.36Å; V573-K576 PolarHBondContact O-N 3.44Å; V573-L577 HydrophobicContact CG1-CD1 4.07Å; V573-L577 WeakPolarHBondContact O-CG 3.45Å; V573-L577 PolarHBondContact O-N 3.23Å; V573-L577 VanDerWaalsContact O-N 3.14Å |
| 574 | I | 79.2 | Confident | 78.2 | Confident | 92 Ų | 92 | 110.8 Ų | 110.8 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.1 | -70 | 164.9 | 0 | 0 | 0 | 111 | Y570 W571 L577 R578 | Y570-I574 VanDerWaalsContact O-CG1 3.32Å; Y570-I574 WeakPolarHBondContact O-CG1 3.23Å; Y570-I574 PolarHBondContact O-N 2.95Å; W571-I574 PolarHBondContact O-N 3.35Å; I574-L577 PolarHBondContact O-N 3.31Å; I574-R578 WeakPolarHBondContact O-CB 3.39Å; I574-R578 PolarHBondContact O-N 3.43Å |
| 575 | E | 79.9 | Confident | 78 | Confident | 70 Ų | 70 | 107 Ų | 107 | 33% | 0.327 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.9 | -36.8 | -176.6 | -168 | 60.9 | -169.9 | 0 | 0 | 112.6 | W571 V573 R578 Q579 | W571-E575 WeakPolarHBondContact O-CB 3.33Å; W571-E575 PolarHBondContact O-N 2.86Å; V573-E575 VanDerWaalsContact C-N 3.33Å; V573-E575 PolarHBondContact O-N 3.36Å; E575-R578 PolarHBondContact O-N 2.98Å; E575-R578 IonicContact OE1-CZ 3.43Å; E575-R578 IonicContact OE1-NE 3.4Å; E575-R578 PolarHBondContact OE1-NE 2.98Å; E575-R578 IonicContact OE1-NH2 2.68Å; E575-R578 PolarHBondContact OE1-NH2 3.17Å; E575-R578 IonicContact OE2-CZ 3.51Å; E575-R578 IonicContact OE2-NE 2.88Å; E575-R578 PolarHBondContact OE2-NE 3.49Å; E575-R578 IonicContact OE2-NH2 3.31Å; E575-R578 PolarHBondContact OE2-NH2 3.19Å; E575-Q579 PolarHBondContact O-N 3.21Å; E575-Q579 VanDerWaalsContact O-N 3.08Å |
| 576 | K | 78.9 | Confident | 77.7 | Confident | 156 Ų | 156 | 106.4 Ų | 106.4 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.7 | -49.8 | 169.5 | -85 | -169.3 | 170.4 | -170.1 | 0 | 112.2 | K572 V573 R578 Q579 E580 | K572-K576 PolarHBondContact O-N 3.05Å; V573-K576 PolarHBondContact O-N 3.44Å; K576-R578 VanDerWaalsContact C-N 3.25Å; K576-R578 PolarHBondContact O-N 3.49Å; K576-Q579 PolarHBondContact O-N 2.87Å; K576-E580 WeakPolarHBondContact O-CB 3.5Å; K576-E580 PolarHBondContact O-N 2.97Å |
| 577 | L | 76.3 | Confident | 77.3 | Confident | 100 Ų | 100 | 106 Ų | 106 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -33.6 | 179.6 | -71.2 | 169.2 | 0 | 0 | 0 | 112.1 | V573 I574 N581 | V573-L577 HydrophobicContact CG1-CD1 4.07Å; V573-L577 WeakPolarHBondContact O-CG 3.45Å; V573-L577 PolarHBondContact O-N 3.23Å; V573-L577 VanDerWaalsContact O-N 3.14Å; I574-L577 PolarHBondContact O-N 3.31Å; L577-N581 WeakPolarHBondContact O-CB 3.29Å; L577-N581 PolarHBondContact O-N 2.9Å |
| 578 | R | 79.8 | Confident | 76.9 | Confident | 128 Ų | 128 | 105.2 Ų | 105.2 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 173.6 | -172.4 | 166.7 | 79.9 | 109.9 | -2.6 | 111.3 | I574 E575 K576 N581 E582 | I574-R578 WeakPolarHBondContact O-CB 3.39Å; I574-R578 PolarHBondContact O-N 3.43Å; E575-R578 PolarHBondContact O-N 2.98Å; E575-R578 IonicContact OE1-CZ 3.43Å; E575-R578 IonicContact OE1-NE 3.4Å; E575-R578 PolarHBondContact OE1-NE 2.98Å; E575-R578 IonicContact OE1-NH2 2.68Å; E575-R578 PolarHBondContact OE1-NH2 3.17Å; E575-R578 IonicContact OE2-CZ 3.51Å; E575-R578 IonicContact OE2-NE 2.88Å; E575-R578 PolarHBondContact OE2-NE 3.49Å; E575-R578 IonicContact OE2-NH2 3.31Å; E575-R578 PolarHBondContact OE2-NH2 3.19Å; K576-R578 VanDerWaalsContact C-N 3.25Å; K576-R578 PolarHBondContact O-N 3.49Å; R578-N581 PolarHBondContact O-N 3.2Å; R578-E582 WeakPolarHBondContact O-CG 3.5Å; R578-E582 PolarHBondContact O-N 3.48Å |
| 579 | Q | 76.5 | Confident | 76.4 | Confident | 137 Ų | 137 | 109.6 Ų | 109.6 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | -179.5 | -164.7 | 168.6 | 33.1 | 0 | 0 | 112.1 | E575 K576 N581 E582 E583 | E575-Q579 PolarHBondContact O-N 3.21Å; E575-Q579 VanDerWaalsContact O-N 3.08Å; K576-Q579 PolarHBondContact O-N 2.87Å; Q579-N581 VanDerWaalsContact C-N 3.33Å; Q579-N581 PolarHBondContact O-N 3.38Å; Q579-E582 PolarHBondContact O-N 3.09Å; Q579-E583 PolarHBondContact O-N 2.8Å |
| 580 | E | 77.8 | Confident | 76 | Confident | 124 Ų | 124 | 110 Ų | 110 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -35.9 | 177.3 | -168.2 | 170.9 | -128.3 | 0 | 0 | 112.2 | K576 S584 | K576-E580 WeakPolarHBondContact O-CB 3.5Å; K576-E580 PolarHBondContact O-N 2.97Å; E580-S584 VanDerWaalsContact O-CB 3.28Å; E580-S584 WeakPolarHBondContact O-CB 3.44Å; E580-S584 PolarHBondContact O-N 2.98Å; E580-S584 PolarHBondContact O-OG 3.14Å |
| 581 | N | 76.3 | Confident | 75.5 | Confident | 98 Ų | 98 | 108.3 Ų | 108.3 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.5 | -37.2 | 172.3 | 175.3 | 79.2 | 0 | 0 | 0 | 112.9 | L577 R578 Q579 S584 N585 | L577-N581 WeakPolarHBondContact O-CB 3.29Å; L577-N581 PolarHBondContact O-N 2.9Å; R578-N581 PolarHBondContact O-N 3.2Å; Q579-N581 VanDerWaalsContact C-N 3.33Å; Q579-N581 PolarHBondContact O-N 3.38Å; N581-S584 PolarHBondContact O-N 3.12Å; N581-N585 WeakPolarHBondContact O-CB 3.26Å; N581-N585 PolarHBondContact O-N 2.94Å |
| 582 | E | 74.3 | Confident | 75.1 | Confident | 103 Ų | 103 | 104.3 Ų | 104.3 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.1 | -35.3 | 176.2 | -75.4 | -178.1 | 126.8 | 0 | 0 | 112.3 | R578 Q579 S586 | R578-E582 WeakPolarHBondContact O-CG 3.5Å; R578-E582 PolarHBondContact O-N 3.48Å; Q579-E582 PolarHBondContact O-N 3.09Å; E582-S586 VanDerWaalsContact O-CB 3.3Å; E582-S586 WeakPolarHBondContact O-CB 3.48Å; E582-S586 PolarHBondContact O-N 3.32Å; E582-S586 PolarHBondContact O-OG 2.77Å |
| 583 | E | 73.5 | Confident | 74.4 | Confident | 140 Ų | 140 | 105.3 Ų | 105.3 | 65% | 0.654 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.9 | -42.5 | 172 | -169.1 | 162.8 | -127.6 | 0 | 0 | 111.8 | Q579 S586 S587 | Q579-E583 PolarHBondContact O-N 2.8Å; E583-S586 PolarHBondContact O-N 3.2Å; E583-S587 PolarHBondContact O-N 3.18Å; E583-S587 PolarHBondContact O-OG 3.1Å |
| 584 | S | 72.3 | Confident | 73.4 | Confident | 69 Ų | 69 | 103.1 Ų | 103.1 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 172.5 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | E580 N581 S587 L588 | E580-S584 VanDerWaalsContact O-CB 3.28Å; E580-S584 WeakPolarHBondContact O-CB 3.44Å; E580-S584 PolarHBondContact O-N 2.98Å; E580-S584 PolarHBondContact O-OG 3.14Å; N581-S584 PolarHBondContact O-N 3.12Å; S584-S587 WeakPolarHBondContact O-CB 3.43Å; S584-S587 PolarHBondContact O-N 2.74Å; S584-L588 WeakPolarHBondContact O-CB 3.34Å; S584-L588 PolarHBondContact O-N 3.4Å |
| 585 | N | 73.5 | Confident | 72.7 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 179.3 | -170 | 14 | 0 | 0 | 0 | 111.9 | N581 L588 K589 | N581-N585 WeakPolarHBondContact O-CB 3.26Å; N581-N585 PolarHBondContact O-N 2.94Å; N585-L588 PolarHBondContact O-N 2.89Å; N585-K589 PolarHBondContact O-N 3.05Å |
| 586 | S | 71.3 | Confident | 71.8 | Confident | 74 Ų | 74 | 105 Ų | 105 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 171.8 | -62 | 0 | 0 | 0 | 0 | 111.3 | E582 E583 L588 K589 V590 | E582-S586 VanDerWaalsContact O-CB 3.3Å; E582-S586 WeakPolarHBondContact O-CB 3.48Å; E582-S586 PolarHBondContact O-N 3.32Å; E582-S586 PolarHBondContact O-OG 2.77Å; E583-S586 PolarHBondContact O-N 3.2Å; S586-L588 PolarHBondContact O-N 2.94Å; S586-K589 WeakPolarHBondContact O-CB 3.45Å; S586-K589 PolarHBondContact O-N 3.25Å; S586-V590 PolarHBondContact O-N 3.15Å |
| 587 | S | 72.1 | Confident | 71.1 | Confident | 67 Ų | 67 | 105.9 Ų | 105.9 | 47% | 0.469 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.4 | -57.6 | 0 | 0 | 0 | 0 | 112 | E583 S584 K589 V590 L591 | E583-S587 PolarHBondContact O-N 3.18Å; E583-S587 PolarHBondContact O-OG 3.1Å; S584-S587 WeakPolarHBondContact O-CB 3.43Å; S584-S587 PolarHBondContact O-N 2.74Å; S587-K589 VanDerWaalsContact C-N 3.35Å; S587-K589 PolarHBondContact O-N 3.16Å; S587-V590 PolarHBondContact O-N 3.34Å; S587-L591 PolarHBondContact O-N 3.37Å |
| 588 | L | 69.6 | Low | 70.3 | Confident | 98 Ų | 98 | 104.8 Ų | 104.8 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 175 | -118.4 | 170.7 | 0 | 0 | 0 | 112.5 | S584 N585 S586 L591 L592 | S584-L588 WeakPolarHBondContact O-CB 3.34Å; S584-L588 PolarHBondContact O-N 3.4Å; N585-L588 PolarHBondContact O-N 2.89Å; S586-L588 PolarHBondContact O-N 2.94Å; L588-L591 PolarHBondContact O-N 3.14Å; L588-L592 WeakPolarHBondContact O-CB 3.35Å; L588-L592 PolarHBondContact O-N 3.47Å |
| 589 | K | 72 | Confident | 69.2 | Low | 147 Ų | 147 | 103 Ų | 103 | 64% | 0.639 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 174.3 | -110.4 | 179.2 | 177.7 | 176.8 | 0 | 112.8 | N585 S586 S587 L592 M593 | N585-K589 PolarHBondContact O-N 3.05Å; S586-K589 WeakPolarHBondContact O-CB 3.45Å; S586-K589 PolarHBondContact O-N 3.25Å; S587-K589 VanDerWaalsContact C-N 3.35Å; S587-K589 PolarHBondContact O-N 3.16Å; K589-L592 WeakPolarHBondContact O-CB 3.48Å; K589-L592 PolarHBondContact O-N 2.83Å; K589-M593 PolarHBondContact O-N 3.26Å |
| 590 | V | 73.4 | Confident | 68.4 | Low | 99 Ų | 99 | 100.7 Ų | 100.7 | 60% | 0.6 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -44 | 174.8 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | S586 S587 L592 M593 G594 | S586-V590 PolarHBondContact O-N 3.15Å; S587-V590 PolarHBondContact O-N 3.34Å; V590-L592 VanDerWaalsContact C-N 3.32Å; V590-L592 PolarHBondContact O-N 3.32Å; V590-M593 PolarHBondContact O-N 2.95Å; V590-G594 PolarHBondContact O-N 3.44Å |
| 591 | L | 67.2 | Low | 67.6 | Low | 112 Ų | 112 | 98.9 Ų | 98.9 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.7 | -35.9 | 173.3 | -73.3 | 169.1 | 0 | 0 | 0 | 112.5 | S587 L588 G594 T595 | S587-L591 PolarHBondContact O-N 3.37Å; L588-L591 PolarHBondContact O-N 3.14Å; L591-G594 PolarHBondContact O-N 3.16Å; L591-T595 VanDerWaalsContact O-CB 3.31Å; L591-T595 WeakPolarHBondContact O-CB 3.36Å; L591-T595 VanDerWaalsContact O-CG2 3.3Å; L591-T595 WeakPolarHBondContact O-CG2 3.35Å; L591-T595 PolarHBondContact O-N 3.12Å; L591-T595 PolarHBondContact O-OG1 3.03Å |
| 592 | L | 69.4 | Low | 66.7 | Low | 92 Ų | 92 | 99 Ų | 99 | 48% | 0.482 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 174.1 | -97.2 | 156.3 | 0 | 0 | 0 | 111.7 | L588 K589 V590 G594 T595 E596 | L588-L592 WeakPolarHBondContact O-CB 3.35Å; L588-L592 PolarHBondContact O-N 3.47Å; K589-L592 WeakPolarHBondContact O-CB 3.48Å; K589-L592 PolarHBondContact O-N 2.83Å; V590-L592 VanDerWaalsContact C-N 3.32Å; V590-L592 PolarHBondContact O-N 3.32Å; L592-G594 PolarHBondContact O-N 3.43Å; L592-T595 PolarHBondContact O-N 3.31Å; L592-T595 PolarHBondContact O-OG1 2.95Å; L592-E596 WeakPolarHBondContact O-CB 3.42Å; L592-E596 WeakPolarHBondContact O-CG 3.35Å; L592-E596 PolarHBondContact O-N 3.28Å |
| 593 | M | 66.3 | Low | 65.9 | Low | 133 Ų | 133 | 99.9 Ų | 99.9 | 66% | 0.655 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 175.9 | -68.7 | -158.8 | -57.4 | 0 | 0 | 112.4 | K589 V590 E596 Y597 | K589-M593 PolarHBondContact O-N 3.26Å; V590-M593 PolarHBondContact O-N 2.95Å; M593-E596 PolarHBondContact O-N 3.05Å; M593-Y597 WeakPolarHBondContact O-CB 3.34Å; M593-Y597 PolarHBondContact O-N 3.31Å |
| 594 | G | 62.9 | Low | 65.2 | Low | 38 Ų | 38 | 100.8 Ų | 100.8 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | V590 L591 L592 Y597 S598 | V590-G594 PolarHBondContact O-N 3.44Å; L591-G594 PolarHBondContact O-N 3.16Å; L592-G594 PolarHBondContact O-N 3.43Å; G594-Y597 PolarHBondContact O-N 2.75Å; G594-S598 WeakPolarHBondContact O-CB 3.42Å; G594-S598 PolarHBondContact O-N 2.96Å; G594-S598 PolarHBondContact O-OG 3.31Å |
| 595 | T | 64.2 | Low | 64.4 | Low | 80 Ų | 80 | 102.4 Ų | 102.4 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -74.4 | -30.9 | 178.4 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | L591 L592 H599 | L591-T595 VanDerWaalsContact O-CB 3.31Å; L591-T595 WeakPolarHBondContact O-CB 3.36Å; L591-T595 VanDerWaalsContact O-CG2 3.3Å; L591-T595 WeakPolarHBondContact O-CG2 3.35Å; L591-T595 PolarHBondContact O-N 3.12Å; L591-T595 PolarHBondContact O-OG1 3.03Å; L592-T595 PolarHBondContact O-N 3.31Å; L592-T595 PolarHBondContact O-OG1 2.95Å; T595-H599 WeakPolarHBondContact O-CA 3.49Å; T595-H599 WeakPolarHBondContact O-CB 3.48Å; T595-H599 PolarHBondContact O-N 3.5Å |
| 596 | E | 60 | Low | 63.4 | Low | 121 Ų | 121 | 101.2 Ų | 101.2 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.9 | -41.3 | 169.3 | -77.2 | -166.2 | 140.6 | 0 | 0 | 111.7 | L592 M593 H599 N600 | L592-E596 WeakPolarHBondContact O-CB 3.42Å; L592-E596 WeakPolarHBondContact O-CG 3.35Å; L592-E596 PolarHBondContact O-N 3.28Å; M593-E596 PolarHBondContact O-N 3.05Å; E596-H599 PolarHBondContact O-N 2.83Å; E596-N600 WeakPolarHBondContact O-CB 3.35Å; E596-N600 VanDerWaalsContact O-CG 3.31Å; E596-N600 PolarHBondContact O-N 3.27Å; E596-N600 PolarHBondContact O-ND2 2.83Å; E596-N600 VanDerWaalsContact O-ND2 3.12Å |
| 597 | Y | 64.5 | Low | 62.5 | Low | 176 Ų | 176 | 104.9 Ų | 104.9 | 69% | 0.69 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.3 | -48.1 | 175.2 | -142.3 | -81.6 | 0 | 0 | 0 | 111.1 | M593 G594 H599 N600 N601 | M593-Y597 WeakPolarHBondContact O-CB 3.34Å; M593-Y597 PolarHBondContact O-N 3.31Å; G594-Y597 PolarHBondContact O-N 2.75Å; Y597-H599 VanDerWaalsContact C-N 3.33Å; Y597-H599 PolarHBondContact O-N 3.21Å; Y597-N600 PolarHBondContact O-N 2.92Å; Y597-N601 PolarHBondContact O-N 2.91Å; Y597-N601 PolarHBondContact O-ND2 3.01Å |
| 598 | S | 58.5 | Low | 61.4 | Low | 76 Ų | 76 | 105.5 Ų | 105.5 | 53% | 0.531 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 173.3 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | G594 N601 L602 | G594-S598 WeakPolarHBondContact O-CB 3.42Å; G594-S598 PolarHBondContact O-N 2.96Å; G594-S598 PolarHBondContact O-OG 3.31Å; S598-N601 CarbonylContact O-C 3.11Å; S598-N601 PolarHBondContact O-N 2.9Å; S598-L602 WeakPolarHBondContact O-CB 3.42Å; S598-L602 PolarHBondContact O-N 3.42Å |
| 599 | H | 58.2 | Low | 60.1 | Low | 90 Ų | 90 | 104.6 Ų | 104.6 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -74.5 | -31.3 | -179.9 | -174.7 | 75.4 | 0 | 0 | 0 | 112.8 | T595 E596 Y597 L602 K603 | T595-H599 WeakPolarHBondContact O-CA 3.49Å; T595-H599 WeakPolarHBondContact O-CB 3.48Å; T595-H599 PolarHBondContact O-N 3.5Å; E596-H599 PolarHBondContact O-N 2.83Å; Y597-H599 VanDerWaalsContact C-N 3.33Å; Y597-H599 PolarHBondContact O-N 3.21Å; H599-L602 CarbonylContact O-C 3.4Å; H599-L602 PolarHBondContact O-N 3.25Å; H599-K603 WeakPolarHBondContact NE2-CE 3.41Å; H599-K603 WeakPolarHBondContact O-CG 3.39Å; H599-K603 PolarHBondContact O-N 3.41Å |
| 600 | N | 59.9 | Low | 58.7 | Low | 89 Ų | 89 | 104 Ų | 104 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 170.6 | -73.8 | -37.8 | 0 | 0 | 0 | 111.1 | E596 Y597 K603 K604 | E596-N600 WeakPolarHBondContact O-CB 3.35Å; E596-N600 VanDerWaalsContact O-CG 3.31Å; E596-N600 PolarHBondContact O-N 3.27Å; E596-N600 PolarHBondContact O-ND2 2.83Å; E596-N600 VanDerWaalsContact O-ND2 3.12Å; Y597-N600 PolarHBondContact O-N 2.92Å; N600-K603 PolarHBondContact O-N 2.87Å; N600-K604 PolarHBondContact O-N 3.45Å |
| 601 | N | 59.7 | Low | 57.3 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 46% | 0.46 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 167.6 | -72.8 | -27.7 | 0 | 0 | 0 | 111.9 | Y597 S598 K604 L605 | Y597-N601 PolarHBondContact O-N 2.91Å; Y597-N601 PolarHBondContact O-ND2 3.01Å; S598-N601 CarbonylContact O-C 3.11Å; S598-N601 PolarHBondContact O-N 2.9Å; N601-K604 WeakPolarHBondContact O-CB 3.4Å; N601-K604 PolarHBondContact O-N 3Å; N601-K604 VanDerWaalsContact O-N 3.16Å; N601-L605 PolarHBondContact O-N 3.02Å |
| 602 | L | 58.3 | Low | 56.2 | Low | 101 Ų | 101 | 108.7 Ų | 108.7 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.7 | -36.2 | 176 | -132.1 | 166.6 | 0 | 0 | 0 | 111.9 | S598 H599 K604 L605 N606 | S598-L602 WeakPolarHBondContact O-CB 3.42Å; S598-L602 PolarHBondContact O-N 3.42Å; H599-L602 CarbonylContact O-C 3.4Å; H599-L602 PolarHBondContact O-N 3.25Å; L602-K604 VanDerWaalsContact C-N 3.33Å; L602-L605 PolarHBondContact O-N 2.95Å; L602-N606 WeakPolarHBondContact O-CB 3.44Å; L602-N606 PolarHBondContact O-N 2.94Å |
| 603 | K | 56.1 | Low | 54.2 | Low | 121 Ų | 121 | 107.9 Ų | 107.9 | 53% | 0.526 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -41.3 | 168.4 | -80.3 | 176.9 | 178.6 | 169.5 | 0 | 111.5 | H599 N600 N606 F607 | H599-K603 WeakPolarHBondContact NE2-CE 3.41Å; H599-K603 WeakPolarHBondContact O-CG 3.39Å; H599-K603 PolarHBondContact O-N 3.41Å; N600-K603 PolarHBondContact O-N 2.87Å; K603-N606 PolarHBondContact O-N 3.33Å; K603-F607 PolarHBondContact O-N 3.3Å |
| 604 | K | 59.6 | Low | 52.1 | Low | 159 Ų | 159 | 104.8 Ų | 104.8 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.5 | -39.8 | 178.9 | -155.2 | 174.2 | -173.3 | 179.7 | 0 | 111.7 | N600 N601 L602 S608 | N600-K604 PolarHBondContact O-N 3.45Å; N601-K604 WeakPolarHBondContact O-CB 3.4Å; N601-K604 PolarHBondContact O-N 3Å; N601-K604 VanDerWaalsContact O-N 3.16Å; L602-K604 VanDerWaalsContact C-N 3.33Å; K604-S608 PolarHBondContact O-N 3.15Å; K604-S608 PolarHBondContact O-OG 2.86Å |
| 605 | L | 55.6 | Low | 51.2 | Low | 103 Ų | 103 | 106.6 Ų | 106.6 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.8 | -40 | 170.3 | -105.2 | 165 | 0 | 0 | 0 | 112.3 | N601 L602 F607 S608 L609 | N601-L605 PolarHBondContact O-N 3.02Å; L602-L605 PolarHBondContact O-N 2.95Å; L605-F607 VanDerWaalsContact C-N 3.28Å; L605-F607 PolarHBondContact O-N 3.48Å; L605-S608 CarbonylContact O-C 3.5Å; L605-S608 WeakPolarHBondContact O-CA 3.35Å; L605-S608 WeakPolarHBondContact O-CB 3.45Å; L605-S608 PolarHBondContact O-N 2.89Å; L605-L609 HydrophobicContact CD2-CD1 4.25Å; L605-L609 WeakPolarHBondContact O-CB 3.34Å; L605-L609 VanDerWaalsContact O-CG 3.27Å; L605-L609 WeakPolarHBondContact O-CG 3.45Å; L605-L609 PolarHBondContact O-N 2.96Å |
| 606 | N | 52.3 | Low | 49.7 | Very low | 64 Ų | 64 | 109.5 Ų | 109.5 | 34% | 0.342 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.2 | -34.6 | 176.5 | -164.9 | -78.4 | 0 | 0 | 0 | 111.4 | L602 K603 S608 L609 Q610 | L602-N606 WeakPolarHBondContact O-CB 3.44Å; L602-N606 PolarHBondContact O-N 2.94Å; K603-N606 PolarHBondContact O-N 3.33Å; N606-S608 VanDerWaalsContact C-N 3.34Å; N606-L609 CarbonylContact O-C 3.55Å; N606-L609 WeakPolarHBondContact O-CA 3.46Å; N606-L609 PolarHBondContact O-N 2.97Å; N606-Q610 PolarHBondContact O-N 3.4Å; N606-Q610 VanDerWaalsContact O-N 3.13Å |
| 607 | F | 52.4 | Low | 48.3 | Very low | 151 Ų | 151 | 111.8 Ų | 111.8 | 66% | 0.662 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.1 | -34.7 | 170.5 | -166.1 | -87.1 | 0 | 0 | 0 | 112.8 | K603 L605 | K603-F607 PolarHBondContact O-N 3.3Å; L605-F607 VanDerWaalsContact C-N 3.28Å; L605-F607 PolarHBondContact O-N 3.48Å |
| 608 | S | 49.3 | Very low | 47.6 | Very low | 79 Ų | 79 | 109.5 Ų | 109.5 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.3 | -33.5 | 169.9 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | K604 L605 N606 Q610 M611 | K604-S608 PolarHBondContact O-N 3.15Å; K604-S608 PolarHBondContact O-OG 2.86Å; L605-S608 CarbonylContact O-C 3.5Å; L605-S608 WeakPolarHBondContact O-CA 3.35Å; L605-S608 WeakPolarHBondContact O-CB 3.45Å; L605-S608 PolarHBondContact O-N 2.89Å; N606-S608 VanDerWaalsContact C-N 3.34Å; S608-Q610 PolarHBondContact O-N 2.94Å; S608-M611 PolarHBondContact O-N 3Å |
| 609 | L | 41.9 | Very low | 46.2 | Very low | 79 Ų | 79 | 111.6 Ų | 111.6 | 41% | 0.414 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | 30.6 | 175.4 | -61.1 | 163.5 | 0 | 0 | 0 | 111.8 | L605 N606 D613 | L605-L609 HydrophobicContact CD2-CD1 4.25Å; L605-L609 WeakPolarHBondContact O-CB 3.34Å; L605-L609 VanDerWaalsContact O-CG 3.27Å; L605-L609 WeakPolarHBondContact O-CG 3.45Å; L605-L609 PolarHBondContact O-N 2.96Å; N606-L609 CarbonylContact O-C 3.55Å; N606-L609 WeakPolarHBondContact O-CA 3.46Å; N606-L609 PolarHBondContact O-N 2.97Å; L609-D613 WeakPolarHBondContact CB-OD2 3.16Å; L609-D613 WeakPolarHBondContact CD2-OD2 3.35Å |
| 610 | Q | 42.4 | Very low | 44.7 | Very low | 136 Ų | 136 | 112 Ų | 112 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | 12 | 167.8 | -157 | 178.7 | 11.7 | 0 | 0 | 111.1 | N606 S608 D613 | N606-Q610 PolarHBondContact O-N 3.4Å; N606-Q610 VanDerWaalsContact O-N 3.13Å; S608-Q610 PolarHBondContact O-N 2.94Å; Q610-D613 CarbonylContact C-O 3.57Å |
| 611 | M | 44.3 | Very low | 43.2 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 70% | 0.704 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -132.2 | 120.5 | -177 | -76.6 | -78.3 | -78.1 | 0 | 0 | 109 | S608 D613 | S608-M611 PolarHBondContact O-N 3Å; M611-D613 PolarHBondContact O-N 2.88Å |
| 612 | V | 45.4 | Very low | 41.7 | Very low | 166 Ų | 166 | 121 Ų | 121 | 100% | 1.006 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 64.6 | -44.9 | -161.4 | -168 | 0 | 0 | 0 | 0 | 112.6 | ||
| 613 | D | 25.5 | Very low | 40.4 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 40% | 0.401 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -64.3 | 140 | 163.4 | -162.2 | -15.5 | 0 | 0 | 0 | 111.3 | L609 Q610 M611 | L609-D613 WeakPolarHBondContact CB-OD2 3.16Å; L609-D613 WeakPolarHBondContact CD2-OD2 3.35Å; Q610-D613 CarbonylContact C-O 3.57Å; M611-D613 PolarHBondContact O-N 2.88Å |
| 614 | G | 23.4 | Very low | 39.2 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | trans | 167.1 | 153.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 615 | G | 43.2 | Very low | 37.8 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | cis | -123.8 | 139.3 | -4.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E617 | G615-E617 PolarHBondContact O-N 3.13Š| ||
| 616 | F | 32.5 | Very low | 36.6 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 61% | 0.614 | 68% | 0.684 | S | S | * | * | trans | -65.6 | 125.2 | -151.3 | -137.2 | -92.5 | 0 | 0 | 0 | 116 | T618 | F616-T618 HydrophobicContact CD1-CG2 4.46Š| ||
| 617 | E | 32.2 | Very low | 35.7 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | trans | -71.5 | 130.3 | 169 | -173.6 | 169.3 | -157.1 | 0 | 0 | 110.4 | G615 | G615-E617 PolarHBondContact O-N 3.13Š| ||
| 618 | T | 47.8 | Very low | 34.6 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | trans | -125.5 | 73.5 | -164.5 | 38.3 | 0 | 0 | 0 | 0 | 113 | F616 | F616-T618 HydrophobicContact CD1-CG2 4.46Š| ||
| 619 | V | 30.4 | Very low | 33.7 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | -120.5 | 147 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 620 | A | 27.2 | Very low | 33.3 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | 56.1 | 60.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | L622 | A620-L622 PolarHBondContact O-N 3.41Š| ||
| 621 | K | 28.1 | Very low | 32.4 | Very low | 203 Ų | 203 | 125.1 Ų | 125.1 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -80.6 | 113.3 | 158.8 | -101.6 | -175.1 | -179.8 | 173.9 | 0 | 112 | ||||
| 622 | L | 27.7 | Very low | 32 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -45.9 | 132.3 | 165.1 | -174 | 76.4 | 0 | 0 | 0 | 112.3 | A620 | A620-L622 PolarHBondContact O-N 3.41Š| ||
| 623 | K | 30.9 | Very low | 31.2 | Very low | 187 Ų | 187 | 121.1 Ų | 121.1 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -143.1 | 88.4 | 155.9 | -162.7 | -175.4 | -177.5 | -176 | 0 | 111.4 | V625 | K623-V625 HydrophobicContact CD-CG2 4.37Å; K623-V625 HydrophobicContact CG-CG2 4.17Å; K623-V625 PolarHBondContact O-N 3.03Å | ||
| 624 | H | 31.2 | Very low | 31.5 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | -70.6 | 116.3 | 166.3 | 175.3 | -83.6 | 0 | 0 | 0 | 109.9 | G626 | H624-G626 PolarHBondContact CE1-N 3.08Å; H624-G626 PolarHBondContact CE1-O 3.2Å | ||
| 625 | V | 31 | Very low | 31.6 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | trans | -132.4 | 66.6 | 159.4 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | K623 S627 | K623-V625 HydrophobicContact CD-CG2 4.37Å; K623-V625 HydrophobicContact CG-CG2 4.17Å; K623-V625 PolarHBondContact O-N 3.03Å; V625-S627 PolarHBondContact O-N 3.03Å | ||
| 626 | G | 29.7 | Very low | 30.8 | Very low | 58 Ų | 58 | 133.5 Ų | 133.5 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | trans | -78.1 | 96.7 | 148.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | H624 | H624-G626 PolarHBondContact CE1-N 3.08Å; H624-G626 PolarHBondContact CE1-O 3.2Å | ||
| 627 | S | 32.8 | Very low | 30.5 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | -111.9 | 120.6 | -179.5 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | V625 | V625-S627 PolarHBondContact O-N 3.03Š| ||
| 628 | S | 29.1 | Very low | 30.4 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -48 | 134.9 | 165.4 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 629 | S | 30.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -161 | 154.1 | 135.8 | -85.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 630 | P | 33.7 | Very low | 29.2 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -127.7 | -145.2 | -151 | 36.3 | -14.7 | 0 | 0 | 0 | 112.3 | ||||
| 631 | L | 24.5 | Very low | 29.2 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | 83.7 | 94.2 | 169.2 | -63.3 | 162 | 0 | 0 | 0 | 116.9 | ||||
| 632 | P | 36.1 | Very low | 29.2 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -78.8 | 144.2 | 154 | 34.5 | -31.9 | 0 | 0 | 0 | 110.3 | ||||
| 633 | S | 27.6 | Very low | 29.1 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | -165.3 | 160.3 | 153.4 | 61.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 634 | Q | 31.4 | Very low | 29.1 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | 70.1 | 102 | 168.4 | -44.7 | -164 | 21.2 | 0 | 0 | 114.6 | ||||
| 635 | I | 25.5 | Very low | 29 | Very low | 155 Ų | 155 | 132 Ų | 132 | 80% | 0.795 | 75% | 0.746 | S | S | * | * | 63.8 | 101.8 | 62.8 | -53.5 | 160.4 | 0 | 0 | 0 | 111 | |||||
| 636 | I | 27.6 | Very low | 28.9 | Very low | 156 Ų | 156 | 133 Ų | 133 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -159.5 | 123 | 137.1 | -105.3 | 156.2 | 0 | 0 | 0 | 109.5 | ||||
| 637 | T | 26.7 | Very low | 28.8 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 58% | 0.583 | 76% | 0.762 | S | S | * | * | trans | 21.1 | 116.2 | 162.6 | 62.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 638 | K | 30.2 | Very low | 28.7 | Very low | 219 Ų | 219 | 141.6 Ų | 141.6 | 95% | 0.952 | 77% | 0.77 | S | S | * | * | -109 | 100.1 | 113.5 | -81.6 | -164.9 | 173.9 | -174.3 | 0 | 108.4 | |||||
| 639 | Q | 24.8 | Very low | 28.5 | Very low | 152 Ų | 152 | 141 Ų | 141 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | trans | -73.5 | 140.4 | 178 | -170.1 | 119.8 | -26 | 0 | 0 | 109.8 | T641 | Q639-T641 PolarHBondContact O-N 2.92Š| ||
| 640 | L | 27.5 | Very low | 28.3 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -73.7 | 97.9 | 161.7 | -78.1 | 161.1 | 0 | 0 | 0 | 108.8 | L642 | L640-L642 VanDerWaalsContact C-N 3.29Å; L640-L642 PolarHBondContact O-N 2.85Å | ||
| 641 | T | 26.3 | Very low | 28.3 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -82.2 | 85.2 | 158 | -54.7 | 0 | 0 | 0 | 0 | 107.4 | Q639 E643 | Q639-T641 PolarHBondContact O-N 2.92Å; T641-E643 HydrophobicContact CG2-CG 4.19Å; T641-E643 PolarHBondContact O-N 3.11Å | ||
| 642 | L | 27.7 | Very low | 28.4 | Very low | 126 Ų | 126 | 143 Ų | 143 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | -86.6 | 80.2 | -179.4 | -158.1 | 165.6 | 0 | 0 | 0 | 108.8 | L640 S644 | L640-L642 VanDerWaalsContact C-N 3.29Å; L640-L642 PolarHBondContact O-N 2.85Å; L642-S644 VanDerWaalsContact C-N 3.31Å; L642-S644 WeakPolarHBondContact CD2-OG 3.48Å; L642-S644 PolarHBondContact O-N 3.18Å | ||
| 643 | E | 26.7 | Very low | 28.1 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -72.4 | 84.5 | 172.5 | -83.2 | -179.5 | 173.6 | 0 | 0 | 110.7 | T641 | T641-E643 HydrophobicContact CG2-CG 4.19Å; T641-E643 PolarHBondContact O-N 3.11Å | ||
| 644 | S | 31.5 | Very low | 28.1 | Very low | 100 Ų | 100 | 149 Ų | 149 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -103.2 | 81.1 | 162.9 | -73.2 | 0 | 0 | 0 | 0 | 110.1 | L642 | L642-S644 VanDerWaalsContact C-N 3.31Å; L642-S644 WeakPolarHBondContact CD2-OG 3.48Å; L642-S644 PolarHBondContact O-N 3.18Å | ||
| 645 | Q | 29 | Very low | 28.2 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -117 | 80.8 | 162.4 | -163.9 | 165.2 | 86.4 | 0 | 0 | 110.6 | ||||
| 646 | T | 28.8 | Very low | 28.3 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | 29.2 | 91.6 | 147.3 | -46.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 647 | I | 26.6 | Very low | 28.5 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -132.4 | 82.2 | 139.5 | -53.2 | -178.5 | 0 | 0 | 0 | 108.1 | S649 | I647-S649 PolarHBondContact O-N 2.85Š| ||
| 648 | H | 30.3 | Very low | 28.5 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -80.8 | 90.2 | 169.4 | -93 | -76.2 | 0 | 0 | 0 | 110 | ||||
| 649 | S | 25.2 | Very low | 28.6 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -98.7 | 101.8 | 162.3 | 43.9 | 0 | 0 | 0 | 0 | 109.6 | I647 | I647-S649 PolarHBondContact O-N 2.85Š| ||
| 650 | F | 27.1 | Very low | 28.7 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -124.2 | 154.4 | 165.9 | -97.9 | -98.6 | 0 | 0 | 0 | 109.9 | ||||
| 651 | P | 33.3 | Very low | 28.7 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -94.4 | 173.4 | -145 | 36.5 | -37.9 | 0 | 0 | 0 | 115.2 | E653 | P651-E653 PolarHBondContact O-N 3.47Š| ||
| 652 | V | 27.7 | Very low | 28.8 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -58.9 | 122.4 | 168.8 | 177.6 | 0 | 0 | 0 | 0 | 111 | M654 | V652-M654 HydrophobicContact CG1-CG 4.16Š| ||
| 653 | E | 29.4 | Very low | 28.8 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -121.8 | 128.4 | 153.6 | -74.3 | -162.6 | 143.9 | 0 | 0 | 109.6 | P651 A655 | P651-E653 PolarHBondContact O-N 3.47Å; E653-A655 PolarHBondContact O-N 3.13Å | ||
| 654 | M | 28 | Very low | 29 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -87.1 | 88.3 | 178.7 | -64.1 | -144.3 | -59.9 | 0 | 0 | 110.4 | V652 T656 | V652-M654 HydrophobicContact CG1-CG 4.16Å; M654-T656 PolarHBondContact O-N 3.19Å | ||
| 655 | A | 31.5 | Very low | 28.9 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -65.7 | 103.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E653 F657 | E653-A655 PolarHBondContact O-N 3.13Å; A655-F657 PolarHBondContact O-N 3.3Å | ||
| 656 | T | 29.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | -63.3 | 125.8 | -178.1 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | M654 T658 | M654-T656 PolarHBondContact O-N 3.19Å; T656-T658 HydrophobicContact CG2-CG2 3.94Å | ||
| 657 | F | 31 | Very low | 29.2 | Very low | 200 Ų | 200 | 138.1 Ų | 138.1 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -98.9 | 92.6 | 166.3 | -119.1 | -82.7 | 0 | 0 | 0 | 110.8 | A655 | A655-F657 PolarHBondContact O-N 3.3Š| ||
| 658 | T | 28 | Very low | 29.5 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | -85 | 116.6 | 166.4 | 41.5 | 0 | 0 | 0 | 0 | 110.5 | T656 | T656-T658 HydrophobicContact CG2-CG2 3.94Š| ||
| 659 | S | 30.9 | Very low | 29.4 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -134.7 | 92.4 | 165.4 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 660 | Q | 26.3 | Very low | 29.7 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -80.4 | 133.3 | 162 | -70.1 | 178.7 | -39.1 | 0 | 0 | 109.9 | ||||
| 661 | S | 29.4 | Very low | 30 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -174.2 | 109.1 | 153.7 | -77.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 662 | N | 27.9 | Very low | 30 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | 48.1 | 102.4 | 51.2 | -66.7 | -13.7 | 0 | 0 | 0 | 113 | |||||
| 663 | T | 26.2 | Very low | 30 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | 173.5 | 162.7 | 109.4 | 33.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 664 | A | 31.4 | Very low | 30.2 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 75.6 | 122 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 665 | S | 29.9 | Very low | 30.3 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | 75.8 | 130.8 | 25.3 | 97.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 666 | L | 28.8 | Very low | 30.5 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | cis | -146.1 | 175.8 | 19 | -136.6 | 67.9 | 0 | 0 | 0 | 109.7 | ||||
| 667 | P | 34.6 | Very low | 30.5 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | trans | -112.3 | 160.3 | -168.6 | 40.7 | -31.9 | 0 | 0 | 0 | 117 | ||||
| 668 | S | 32.8 | Very low | 30.7 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -174.6 | 150.3 | 159.7 | 56 | 0 | 0 | 0 | 0 | 110 | ||||
| 669 | S | 29.2 | Very low | 31.1 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -174.3 | 162.5 | -21.4 | -163.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 670 | V | 31.4 | Very low | 31.4 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 65.7 | 133.7 | 163.9 | 177.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 671 | N | 33.1 | Very low | 31.6 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | cis | -153.8 | 146.7 | -12.7 | -114.8 | 1.8 | 0 | 0 | 0 | 111.9 | ||||
| 672 | N | 32.9 | Very low | 31.8 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | 21.7 | 126.6 | 146.6 | -56.8 | -14.9 | 0 | 0 | 0 | 122.7 | ||||
| 673 | F | 27.9 | Very low | 31.9 | Very low | 194 Ų | 194 | 132.2 Ų | 132.2 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -34.7 | 147.1 | 150.1 | -59.1 | -100 | 0 | 0 | 0 | 116.4 | ||||
| 674 | S | 34.4 | Very low | 32.4 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | -165.2 | 126.7 | 117.3 | -78.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 675 | N | 29.5 | Very low | 32.5 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -96.5 | 133.9 | 169.2 | -66.4 | 8.8 | 0 | 0 | 0 | 109 | ||||
| 676 | S | 35.8 | Very low | 32.7 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -157.9 | 76.3 | 165.9 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | A678 | S676-A678 PolarHBondContact O-N 3.23Š| ||
| 677 | D | 30.2 | Very low | 33.1 | Very low | 171 Ų | 171 | 137 Ų | 137 | 91% | 0.914 | 77% | 0.772 | S | S | * | * | trans | -67.6 | 115.8 | 160 | -68.5 | -61.3 | 0 | 0 | 0 | 108.8 | ||||
| 678 | A | 35.3 | Very low | 33.2 | Very low | 66 Ų | 66 | 139.3 Ų | 139.3 | 55% | 0.545 | 77% | 0.77 | S | S | . | * | trans | -140.8 | 83.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S676 H680 | S676-A678 PolarHBondContact O-N 3.23Å; A678-H680 PolarHBondContact O-N 2.96Å | ||
| 679 | T | 34.5 | Very low | 33.5 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 92% | 0.92 | 77% | 0.768 | S | S | * | * | trans | -72.5 | 71.7 | 176.1 | 35.9 | 0 | 0 | 0 | 0 | 111.9 | S681 | T679-S681 VanDerWaalsContact C-N 3.33Å; T679-S681 PolarHBondContact O-N 3.03Å | ||
| 680 | H | 37.6 | Very low | 34 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -73 | 84.7 | 172.8 | -76.5 | -64.8 | 0 | 0 | 0 | 111.8 | A678 L682 | A678-H680 PolarHBondContact O-N 2.96Å; H680-L682 PolarHBondContact O-N 3.07Å; H680-L682 VanDerWaalsContact O-N 3.08Å | ||
| 681 | S | 31.8 | Very low | 34.2 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -65.7 | 101.2 | 159.6 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | T679 | T679-S681 VanDerWaalsContact C-N 3.33Å; T679-S681 PolarHBondContact O-N 3.03Å | ||
| 682 | L | 33.6 | Very low | 34.2 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | trans | -116.4 | 96.3 | -176.4 | -149.3 | 159.7 | 0 | 0 | 0 | 109.6 | H680 I684 | H680-L682 PolarHBondContact O-N 3.07Å; H680-L682 VanDerWaalsContact O-N 3.08Å; L682-I684 HydrophobicContact CD2-CD1 4.15Å; L682-I684 HydrophobicContact CD2-CG1 3.63Å; L682-I684 PolarHBondContact O-N 2.85Å; L682-I684 VanDerWaalsContact O-N 3.13Å | ||
| 683 | H | 29.4 | Very low | 34.2 | Very low | 177 Ų | 177 | 146 Ų | 146 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | trans | -70 | 100.5 | 178.8 | -174.8 | 79.8 | 0 | 0 | 0 | 109.8 | ||||
| 684 | I | 36 | Very low | 34.8 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -95.8 | 124.9 | 171.5 | -61.2 | -177.7 | 0 | 0 | 0 | 108.6 | L682 | L682-I684 HydrophobicContact CD2-CD1 4.15Å; L682-I684 HydrophobicContact CD2-CG1 3.63Å; L682-I684 PolarHBondContact O-N 2.85Å; L682-I684 VanDerWaalsContact O-N 3.13Å | ||
| 685 | E | 33.7 | Very low | 34.8 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -73 | 143.7 | -169.5 | -169.4 | 169.6 | -171.8 | 0 | 0 | 112.7 | N687 | E685-N687 PolarHBondContact O-N 3Š| ||
| 686 | M | 33.7 | Very low | 35.2 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -76.7 | 94.2 | 179.7 | -65.5 | -162.2 | 83.9 | 0 | 0 | 111.3 | K688 | M686-K688 HydrophobicContact CB-CG 4.19Å; M686-K688 PolarHBondContact O-N 3.27Å | ||
| 687 | N | 37.1 | Very low | 35.3 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -69.5 | 98.1 | 167.1 | -172.8 | 2.1 | 0 | 0 | 0 | 110.2 | E685 D689 | E685-N687 PolarHBondContact O-N 3Å; N687-D689 VanDerWaalsContact C-N 3.32Å; N687-D689 PolarHBondContact O-N 3.42Å | ||
| 688 | K | 37.1 | Very low | 35.5 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 70% | 0.7 | 76% | 0.762 | S | S | * | * | trans | -89.2 | 25.9 | -174.3 | -72.4 | -173.9 | 177.9 | 179.3 | 0 | 114.5 | M686 | M686-K688 HydrophobicContact CB-CG 4.19Å; M686-K688 PolarHBondContact O-N 3.27Å | ||
| 689 | D | 39.3 | Very low | 35.5 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -125 | 78.4 | 178.8 | -81.1 | -55.5 | 0 | 0 | 0 | 112.6 | N687 | N687-D689 VanDerWaalsContact C-N 3.32Å; N687-D689 PolarHBondContact O-N 3.42Å | ||
| 690 | S | 39.7 | Very low | 35.4 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -152.8 | 37.9 | 166.9 | -173 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 691 | C | 36.8 | Very low | 35.1 | Very low | 107 Ų | 107 | 151 Ų | 151 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | trans | -86.1 | 131.8 | 168.8 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 692 | W | 32.1 | Very low | 35.1 | Very low | 217 Ų | 217 | 149.7 Ų | 149.7 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 68.3 | 66.5 | 168.3 | -44.6 | 112 | 0 | 0 | 0 | 117.8 | ||||
| 693 | Q | 34 | Very low | 35.1 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -116.9 | 96.4 | 140.7 | -78.5 | -165 | -6.1 | 0 | 0 | 110.2 | M695 | Q693-M695 PolarHBondContact O-N 2.73Š| ||
| 694 | N | 38.8 | Very low | 35.1 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -72 | 107.3 | 166.3 | -64.2 | -22.7 | 0 | 0 | 0 | 107.9 | ||||
| 695 | M | 35.1 | Very low | 35 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 67% | 0.665 | 76% | 0.756 | S | S | * | * | trans | -98.9 | 109.2 | 167.6 | -66.8 | -162 | -159.8 | 0 | 0 | 109.8 | Q693 L697 | Q693-M695 PolarHBondContact O-N 2.73Å; M695-L697 VanDerWaalsContact C-N 3.28Å; M695-L697 HydrophobicContact CB-CG 4.4Å; M695-L697 PolarHBondContact O-N 3Å | ||
| 696 | D | 38.2 | Very low | 34.8 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -68 | 81.4 | 171.3 | -74.8 | -59.1 | 0 | 0 | 0 | 111.2 | N698 | D696-N698 PolarHBondContact O-N 3.17Š| ||
| 697 | L | 38.3 | Very low | 34.8 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | trans | -79.3 | 60.7 | 177.5 | -77.7 | 171.5 | 0 | 0 | 0 | 112.5 | M695 T699 | M695-L697 VanDerWaalsContact C-N 3.28Å; M695-L697 HydrophobicContact CB-CG 4.4Å; M695-L697 PolarHBondContact O-N 3Å; L697-T699 PolarHBondContact O-N 3.42Å | ||
| 698 | N | 33.2 | Very low | 34.4 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -77 | 57.6 | 170.9 | -119.2 | -41.7 | 0 | 0 | 0 | 111.4 | D696 | D696-N698 PolarHBondContact O-N 3.17Š| ||
| 699 | T | 36.3 | Very low | 34.2 | Very low | 101 Ų | 101 | 146 Ų | 146 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | trans | -115 | 102.5 | 178.1 | 40.5 | 0 | 0 | 0 | 0 | 111.7 | L697 L701 | L697-T699 PolarHBondContact O-N 3.42Å; T699-L701 PolarHBondContact O-N 3.01Å; T699-L701 VanDerWaalsContact O-N 3.16Å | ||
| 700 | R | 31.8 | Very low | 33.9 | Very low | 252 Ų | 252 | 144 Ų | 144 | 95% | 0.951 | 76% | 0.755 | S | S | * | * | trans | -59.6 | 112 | 167.7 | -69.6 | 176.5 | 171 | -169.7 | -3.6 | 110.3 | ||||
| 701 | L | 32.2 | Very low | 33.7 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -108.9 | 84.2 | 163.7 | -94.3 | 161.1 | 0 | 0 | 0 | 109.4 | T699 | T699-L701 PolarHBondContact O-N 3.01Å; T699-L701 VanDerWaalsContact O-N 3.16Å | ||
| 702 | S | 30.2 | Very low | 33.5 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -71 | 124.3 | 162.5 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 703 | N | 33.5 | Very low | 33.5 | Very low | 129 Ų | 129 | 142 Ų | 142 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | trans | -151.6 | 86.1 | 170.1 | -95.9 | -34.9 | 0 | 0 | 0 | 108.4 | T705 | N703-T705 PolarHBondContact O-N 3.33Š| ||
| 704 | D | 30.5 | Very low | 33.3 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -56.7 | 110.1 | 168.6 | -69.9 | -62 | 0 | 0 | 0 | 109.7 | ||||
| 705 | T | 32.8 | Very low | 32.9 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 69% | 0.693 | 76% | 0.764 | S | S | * | * | trans | -113.2 | 70.5 | 169.2 | -53.3 | 0 | 0 | 0 | 0 | 108.6 | N703 R707 | N703-T705 PolarHBondContact O-N 3.33Å; T705-R707 HydrophobicContact CG2-CG 4.47Å; T705-R707 PolarHBondContact O-N 3.43Å; T705-R707 VanDerWaalsContact O-N 3.1Å | ||
| 706 | V | 30.7 | Very low | 32.6 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | -57.8 | 113.3 | 165.6 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 707 | R | 32.6 | Very low | 32.3 | Very low | 220 Ų | 220 | 142.1 Ų | 142.1 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -113.9 | 95.7 | 168.3 | -95.9 | -171 | 173.5 | -175.9 | 0.1 | 108.8 | T705 V709 | T705-R707 HydrophobicContact CG2-CG 4.47Å; T705-R707 PolarHBondContact O-N 3.43Å; T705-R707 VanDerWaalsContact O-N 3.1Å; R707-V709 PolarHBondContact O-N 3.32Å | ||
| 708 | D | 29.5 | Very low | 31.9 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -58.4 | 124.5 | 168.3 | -59.6 | -69.2 | 0 | 0 | 0 | 110.2 | ||||
| 709 | V | 32.9 | Very low | 31.7 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -118.1 | 114.2 | 164.6 | 179.7 | 0 | 0 | 0 | 0 | 106.4 | R707 | R707-V709 PolarHBondContact O-N 3.32Š| ||
| 710 | P | 33.3 | Very low | 31.7 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 152.4 | -171.2 | -26.4 | 35.5 | 0 | 0 | 0 | 114.3 | I712 | P710-I712 PolarHBondContact O-N 3.1Š|
| 711 | P | 34.5 | Very low | 31.6 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 131.6 | -178.9 | 28.6 | -34.9 | 0 | 0 | 0 | 111.9 | ||
| 712 | I | 32.6 | Very low | 31.7 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 86% | 0.862 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 135.5 | 170.1 | -69.9 | 171.1 | 0 | 0 | 0 | 109.2 | P710 | P710-I712 PolarHBondContact O-N 3.1Š|
| 713 | S | 32.5 | Very low | 31.6 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 146.7 | -171.8 | 52.2 | 0 | 0 | 0 | 0 | 114 | ||
| 714 | Q | 28.9 | Very low | 31.6 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 138.2 | 165 | -62.6 | 161.6 | -19.8 | 0 | 0 | 111.2 | ||
| 715 | N | 32.2 | Very low | 31.6 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -124.1 | 109.6 | 163.1 | -162 | 10.2 | 0 | 0 | 0 | 108.9 | N717 | N715-N717 PolarHBondContact O-N 2.92Š| ||
| 716 | T | 28.2 | Very low | 31.3 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -92.1 | 94.4 | -165.7 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | S718 | T716-S718 PolarHBondContact O-N 3.23Š| ||
| 717 | N | 32.5 | Very low | 31.4 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -92.9 | 95 | 169.3 | -81.7 | -10.6 | 0 | 0 | 0 | 111.2 | N715 | N715-N717 PolarHBondContact O-N 2.92Š| ||
| 718 | S | 29.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 4.7 | 124.4 | 152.3 | 54.8 | 0 | 0 | 0 | 0 | 119.1 | T716 | T716-S718 PolarHBondContact O-N 3.23Š| ||
| 719 | V | 27.6 | Very low | 31.3 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 138.5 | 161.9 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 720 | P | 37 | Very low | 31.1 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 116 | 150.1 | 32.9 | -23.3 | 0 | 0 | 0 | 109.9 | ||
| 721 | D | 29.3 | Very low | 31.1 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 132.1 | 178.2 | -61.7 | -64.8 | 0 | 0 | 0 | 111.6 | ||
| 722 | S | 34.5 | Very low | 30.8 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -132.2 | 92.7 | 164.3 | 66.3 | 0 | 0 | 0 | 0 | 110 | Y724 | S722-Y724 PolarHBondContact O-N 2.65Š| ||
| 723 | N | 28.7 | Very low | 30.9 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -57 | 124 | 175 | -72.3 | -10.6 | 0 | 0 | 0 | 110.7 | ||||
| 724 | Y | 32.7 | Very low | 30.6 | Very low | 231 Ų | 231 | 136.9 Ų | 136.9 | 91% | 0.906 | 75% | 0.746 | S | S | * | * | trans | -122.7 | 106.7 | 146.9 | -95.7 | -79.8 | 0 | 0 | 0 | 108.1 | S722 | S722-Y724 PolarHBondContact O-N 2.65Š| ||
| 725 | D | 30.7 | Very low | 30.6 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | trans | -69.3 | 130.8 | -178.1 | -78.6 | -70.7 | 0 | 0 | 0 | 112.2 | ||||
| 726 | I | 27.4 | Very low | 30.5 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | trans | 40.7 | 93.2 | 134.4 | -45.2 | 172.7 | 0 | 0 | 0 | 116 | ||||
| 727 | Q | 31.4 | Very low | 30.4 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -130.5 | 84.6 | 133.6 | -87.7 | -164 | -11 | 0 | 0 | 110.4 | N729 | Q727-N729 PolarHBondContact O-N 3.41Å; Q727-N729 VanDerWaalsContact O-N 3.16Å | ||
| 728 | N | 28.7 | Very low | 30.4 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | trans | -66.7 | 107.2 | 159.6 | -66.9 | -1.7 | 0 | 0 | 0 | 107.8 | ||||
| 729 | N | 32.8 | Very low | 30.4 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -105 | 108.4 | 153.7 | -92.4 | -41.4 | 0 | 0 | 0 | 106.7 | Q727 S731 | Q727-N729 PolarHBondContact O-N 3.41Å; Q727-N729 VanDerWaalsContact O-N 3.16Å; N729-S731 PolarHBondContact O-N 2.99Å | ||
| 730 | D | 27.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | -72.1 | 64.9 | 179.4 | -65.6 | -70.3 | 0 | 0 | 0 | 111.6 | N732 | D730-N732 PolarHBondContact O-N 3.28Š| ||
| 731 | S | 33.1 | Very low | 30 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -73.4 | 64.2 | 164.2 | -68.7 | 0 | 0 | 0 | 0 | 109.8 | N729 S733 | N729-S731 PolarHBondContact O-N 2.99Å; S731-S733 PolarHBondContact O-N 2.8Å | ||
| 732 | N | 28.9 | Very low | 29.9 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | -73.4 | 50.2 | 170.5 | -168.7 | 12.8 | 0 | 0 | 0 | 110.6 | D730 Q734 | D730-N732 PolarHBondContact O-N 3.28Å; N732-Q734 PolarHBondContact O-N 2.88Å | ||
| 733 | S | 33.6 | Very low | 29.6 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | trans | -80.4 | 78.2 | 172.3 | 52.9 | 0 | 0 | 0 | 0 | 108.3 | S731 E735 | S731-S733 PolarHBondContact O-N 2.8Å; S733-E735 PolarHBondContact O-N 3.23Å | ||
| 734 | Q | 27.6 | Very low | 29.4 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 67% | 0.673 | 74% | 0.736 | S | S | * | * | trans | -45 | 105.5 | -179.4 | -175.8 | 177.3 | -1.9 | 0 | 0 | 112.4 | N732 N736 | N732-Q734 PolarHBondContact O-N 2.88Å; Q734-N736 HydrophobicContact CG-CB 4.22Å; Q734-N736 PolarHBondContact NE2-ND2 2.93Å; Q734-N736 VanDerWaalsContact NE2-ND2 3.12Å; Q734-N736 PolarHBondContact O-N 3.35Å | ||
| 735 | E | 28.1 | Very low | 29.3 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | trans | -71.9 | 49.8 | 171.1 | -67.7 | -167.8 | 141.5 | 0 | 0 | 112.1 | S733 Y737 | S733-E735 PolarHBondContact O-N 3.23Å; E735-Y737 VanDerWaalsContact C-N 3.29Å; E735-Y737 PolarHBondContact O-N 2.83Å | ||
| 736 | N | 30.4 | Very low | 29.4 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 65% | 0.652 | 74% | 0.736 | S | S | * | * | trans | -71.3 | 97 | 155.9 | -102.3 | -9.6 | 0 | 0 | 0 | 107 | Q734 P738 | Q734-N736 HydrophobicContact CG-CB 4.22Å; Q734-N736 PolarHBondContact NE2-ND2 2.93Å; Q734-N736 VanDerWaalsContact NE2-ND2 3.12Å; Q734-N736 PolarHBondContact O-N 3.35Å; N736-P738 WeakPolarHBondContact O-CD 3.43Å; N736-P738 VanDerWaalsContact O-N 3.1Å | ||
| 737 | Y | 26.5 | Very low | 29.6 | Very low | 204 Ų | 204 | 138.2 Ų | 138.2 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | -42.3 | 119.2 | 154 | -78.2 | -96.8 | 0 | 0 | 0 | 107.9 | E735 T739 | E735-Y737 VanDerWaalsContact C-N 3.29Å; E735-Y737 PolarHBondContact O-N 2.83Å; Y737-T739 PolarHBondContact O-N 3.19Å; Y737-T739 VanDerWaalsContact O-N 3.17Å | ||
| 738 | P | 32 | Very low | 29.6 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | trans | -57.6 | 128.9 | 166.4 | 25.5 | -32 | 0 | 0 | 0 | 106.2 | N736 T740 | N736-P738 WeakPolarHBondContact O-CD 3.43Å; N736-P738 VanDerWaalsContact O-N 3.1Å; P738-T740 PolarHBondContact O-N 3.12Å | ||
| 739 | T | 29.4 | Very low | 29.6 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | -68.9 | 84.9 | 170.7 | -53 | 0 | 0 | 0 | 0 | 107.3 | Y737 T741 | Y737-T739 PolarHBondContact O-N 3.19Å; Y737-T739 VanDerWaalsContact O-N 3.17Å; T739-T741 PolarHBondContact O-N 3.33Å | ||
| 740 | T | 29.1 | Very low | 29.4 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | -68 | 77.7 | 168.7 | -56.4 | 0 | 0 | 0 | 0 | 106.9 | P738 L742 | P738-T740 PolarHBondContact O-N 3.12Å; T740-L742 HydrophobicContact CG2-CD1 4.15Å; T740-L742 PolarHBondContact O-N 2.93Å | ||
| 741 | T | 28.1 | Very low | 29.5 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -61.4 | 96.6 | 163.7 | -58.5 | 0 | 0 | 0 | 0 | 105.8 | T739 G743 | T739-T741 PolarHBondContact O-N 3.33Å; T741-G743 PolarHBondContact O-N 2.84Å | ||
| 742 | L | 26.3 | Very low | 29.6 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | -74.2 | 65.1 | -174 | -164 | 76.2 | 0 | 0 | 0 | 109.7 | T740 F744 | T740-L742 HydrophobicContact CG2-CD1 4.15Å; T740-L742 PolarHBondContact O-N 2.93Å; L742-F744 PolarHBondContact O-N 3.04Å | ||
| 743 | G | 27.7 | Very low | 29.8 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | -98 | 42.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T741 | T741-G743 PolarHBondContact O-N 2.84Š| ||
| 744 | F | 26 | Very low | 30 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -70 | 163.1 | 159.9 | -86.7 | -91.6 | 0 | 0 | 0 | 109.8 | L742 | L742-F744 PolarHBondContact O-N 3.04Š| ||
| 745 | D | 29.5 | Very low | 30.4 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 59.6 | 77.5 | 164.1 | -56.5 | -23.9 | 0 | 0 | 0 | 117.8 | ||||
| 746 | K | 32.7 | Very low | 30.7 | Very low | 188 Ų | 188 | 129.8 Ų | 129.8 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | -162.8 | 116.9 | 87.6 | -99.3 | 152.8 | -172.1 | 170.2 | 0 | 114.5 | I748 | K746-I748 HydrophobicContact CB-CG1 4.5Å; K746-I748 PolarHBondContact O-N 3.01Å | |||
| 747 | N | 31.3 | Very low | 30.7 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -64.4 | 98.6 | 152.5 | -73.2 | -44.9 | 0 | 0 | 0 | 108.7 | F749 | N747-F749 HydrophobicContact CB-CB 4.48Å; N747-F749 PolarHBondContact O-N 3.32Å | ||
| 748 | I | 32.7 | Very low | 31 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -75.5 | 74.4 | 163.4 | -57.6 | -177 | 0 | 0 | 0 | 107.4 | K746 C750 | K746-I748 HydrophobicContact CB-CG1 4.5Å; K746-I748 PolarHBondContact O-N 3.01Å; I748-C750 PolarHBondContact O-N 3.48Å | ||
| 749 | F | 27.9 | Very low | 31 | Very low | 186 Ų | 186 | 129 Ų | 129 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | trans | -83.6 | 55.5 | -178.2 | -141.4 | -80.9 | 0 | 0 | 0 | 110.9 | N747 | N747-F749 HydrophobicContact CB-CB 4.48Å; N747-F749 PolarHBondContact O-N 3.32Å | ||
| 750 | C | 29.3 | Very low | 31 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | trans | -118 | 69.9 | 172.5 | -76.9 | 0 | 0 | 0 | 0 | 109.3 | I748 T752 | I748-C750 PolarHBondContact O-N 3.48Å; C750-T752 PolarHBondContact O-N 2.89Å; C750-T752 VanDerWaalsContact O-N 3.08Å | ||
| 751 | S | 29.2 | Very low | 31 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | trans | -65.8 | 101.8 | 163.4 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 752 | T | 35.7 | Very low | 31.2 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -144.2 | 85.9 | 164.3 | -51.1 | 0 | 0 | 0 | 0 | 107.3 | C750 P754 | C750-T752 PolarHBondContact O-N 2.89Å; C750-T752 VanDerWaalsContact O-N 3.08Å; T752-P754 WeakPolarHBondContact O-CD 3.42Å | ||
| 753 | D | 32.8 | Very low | 31.5 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 54% | 0.54 | 75% | 0.747 | S | S | . | * | trans | -100.2 | 102.4 | 171.2 | 173.7 | 26.2 | 0 | 0 | 0 | 110.2 | S755 S756 | D753-S755 WeakPolarHBondContact OD1-CA 3.32Å; D753-S755 PolarHBondContact OD1-N 3.13Å; D753-S755 PolarHBondContact OD1-OG 3.3Å; D753-S756 PolarHBondContact OD2-OG 3.44Å | ||
| 754 | P | 37 | Very low | 31.7 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -106.2 | 31.9 | 166.2 | 40.5 | -34.5 | 0 | 0 | 0 | 111.4 | T752 | T752-P754 WeakPolarHBondContact O-CD 3.42Š| ||
| 755 | S | 37.4 | Very low | 32 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | -129.5 | 15 | -167 | 49.5 | 0 | 0 | 0 | 0 | 115.5 | D753 | D753-S755 WeakPolarHBondContact OD1-CA 3.32Å; D753-S755 PolarHBondContact OD1-N 3.13Å; D753-S755 PolarHBondContact OD1-OG 3.3Å | ||
| 756 | S | 34.3 | Very low | 31.9 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 56% | 0.559 | 75% | 0.748 | S | S | * | * | trans | -104 | 26 | 177 | 46.2 | 0 | 0 | 0 | 0 | 115.2 | D753 V758 | D753-S756 PolarHBondContact OD2-OG 3.44Å; S756-V758 PolarHBondContact O-N 3.28Å | ||
| 757 | L | 30.9 | Very low | 31.8 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 93% | 0.927 | 75% | 0.746 | S | S | * | * | trans | -72.2 | 72 | 158.3 | -85.1 | 178.9 | 0 | 0 | 0 | 110.4 | S759 | L757-S759 PolarHBondContact O-N 3.39Š| ||
| 758 | V | 32 | Very low | 31.8 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | trans | -69.2 | 84.1 | 167.9 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | S756 V760 | S756-V758 PolarHBondContact O-N 3.28Å; V758-V760 VanDerWaalsContact C-N 3.33Å; V758-V760 HydrophobicContact CG1-CG2 4.28Å; V758-V760 PolarHBondContact O-N 2.97Å | ||
| 759 | S | 31.2 | Very low | 31.8 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -68.4 | 95.8 | 168 | -159.2 | 0 | 0 | 0 | 0 | 107.9 | L757 H761 | L757-S759 PolarHBondContact O-N 3.39Å; S759-H761 PolarHBondContact O-N 3.43Å | ||
| 760 | V | 29.7 | Very low | 31.8 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -58.4 | 122.8 | -176.6 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | V758 V762 | V758-V760 VanDerWaalsContact C-N 3.33Å; V758-V760 HydrophobicContact CG1-CG2 4.28Å; V758-V760 PolarHBondContact O-N 2.97Å; V760-V762 PolarHBondContact O-N 2.89Å | ||
| 761 | H | 30.4 | Very low | 31.9 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -63 | 94.2 | -173 | -160.2 | -69.1 | 0 | 0 | 0 | 110.9 | S759 S763 | S759-H761 PolarHBondContact O-N 3.43Å; H761-S763 PolarHBondContact O-N 3.27Å; H761-S763 PolarHBondContact O-OG 2.93Å | ||
| 762 | V | 31.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | trans | -60.8 | 104.7 | 179.4 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | V760 S764 | V760-V762 PolarHBondContact O-N 2.89Å; V762-S764 PolarHBondContact O-N 2.73Å | ||
| 763 | S | 32.3 | Very low | 31.8 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | -78.1 | 72.2 | 177.3 | -62.2 | 0 | 0 | 0 | 0 | 109.1 | H761 S765 | H761-S763 PolarHBondContact O-N 3.27Å; H761-S763 PolarHBondContact O-OG 2.93Å; S763-S765 PolarHBondContact O-N 2.74Å | ||
| 764 | S | 32 | Very low | 31.8 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | -66 | 119.7 | 173.1 | 59.6 | 0 | 0 | 0 | 0 | 109.6 | V762 Y766 | V762-S764 PolarHBondContact O-N 2.73Å; S764-Y766 PolarHBondContact O-N 2.8Å | ||
| 765 | S | 31.4 | Very low | 31.5 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -67.4 | 121.6 | -178.7 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | S763 E767 | S763-S765 PolarHBondContact O-N 2.74Å; S765-E767 PolarHBondContact O-N 3.14Å; S765-E767 VanDerWaalsContact O-N 3.14Å | ||
| 766 | Y | 27.9 | Very low | 31.2 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | 22.3 | 83.2 | 128.1 | -158 | -90.6 | 0 | 0 | 0 | 115.7 | S764 E768 | S764-Y766 PolarHBondContact O-N 2.8Å; Y766-E768 HydrophobicContact CE1-CB 4.16Å | |||
| 767 | E | 31.1 | Very low | 31 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -99.8 | 107.9 | 161.7 | -78.3 | -160.6 | 154.1 | 0 | 0 | 110 | S765 N769 | S765-E767 PolarHBondContact O-N 3.14Å; S765-E767 VanDerWaalsContact O-N 3.14Å; E767-N769 VanDerWaalsContact C-N 3.3Å; E767-N769 PolarHBondContact O-N 3.11Å | ||
| 768 | E | 29.9 | Very low | 31.1 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | trans | -74.1 | 73.2 | -177.8 | -169.9 | -165.6 | 139.7 | 0 | 0 | 111.6 | Y766 Q770 | Y766-E768 HydrophobicContact CE1-CB 4.16Å; E768-Q770 PolarHBondContact O-N 2.72Å; E768-Q770 PolarHBondContact OE1-NE2 3.09Å | ||
| 769 | N | 33.5 | Very low | 31.1 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -85.5 | 102.3 | 173.3 | -81.5 | -67.2 | 0 | 0 | 0 | 111 | E767 V771 | E767-N769 VanDerWaalsContact C-N 3.3Å; E767-N769 PolarHBondContact O-N 3.11Å; N769-V771 PolarHBondContact O-N 2.99Å | ||
| 770 | Q | 27.6 | Very low | 31 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -65.9 | 109.6 | -179.7 | -63.4 | 172.4 | 1.4 | 0 | 0 | 111 | E768 | E768-Q770 PolarHBondContact O-N 2.72Å; E768-Q770 PolarHBondContact OE1-NE2 3.09Å | ||
| 771 | V | 32.5 | Very low | 31.2 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -106.7 | 117.8 | 168.6 | 180 | 0 | 0 | 0 | 0 | 108.9 | N769 I773 | N769-V771 PolarHBondContact O-N 2.99Å; V771-I773 PolarHBondContact O-N 3.36Å; V771-I773 VanDerWaalsContact O-N 3.08Å | ||
| 772 | E | 28.2 | Very low | 31.4 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | -71.1 | 98.1 | -166.7 | -168.7 | 179.9 | -139.9 | 0 | 0 | 112.7 | N774 | E772-N774 VanDerWaalsContact C-N 3.32Å; E772-N774 PolarHBondContact O-N 3.06Å; E772-N774 PolarHBondContact O-ND2 3.3Å; E772-N774 PolarHBondContact OE2-ND2 3.44Å | ||
| 773 | I | 33.5 | Very low | 31.5 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -71.1 | 85.8 | -179.3 | -53.2 | 175.9 | 0 | 0 | 0 | 110.3 | V771 Q775 | V771-I773 PolarHBondContact O-N 3.36Å; V771-I773 VanDerWaalsContact O-N 3.08Å; I773-Q775 PolarHBondContact O-N 2.98Å | ||
| 774 | N | 32.8 | Very low | 31.4 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | -67.5 | 89.3 | 174.4 | -89.9 | -89.3 | 0 | 0 | 0 | 111.1 | E772 K776 | E772-N774 VanDerWaalsContact C-N 3.32Å; E772-N774 PolarHBondContact O-N 3.06Å; E772-N774 PolarHBondContact O-ND2 3.3Å; E772-N774 PolarHBondContact OE2-ND2 3.44Å; N774-K776 PolarHBondContact O-N 3.34Å | ||
| 775 | Q | 30.4 | Very low | 31.6 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -63.8 | 89.5 | 177.7 | -72.2 | -172.9 | -16.5 | 0 | 0 | 112.5 | I773 V777 | I773-Q775 PolarHBondContact O-N 2.98Å; Q775-V777 PolarHBondContact O-N 2.9Å | ||
| 776 | K | 31.2 | Very low | 31.5 | Very low | 202 Ų | 202 | 154.1 Ų | 154.1 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -87.9 | 76.6 | 168.1 | -160.2 | 163.7 | -169.4 | 169 | 0 | 111 | N774 R778 | N774-K776 PolarHBondContact O-N 3.34Å; K776-R778 PolarHBondContact O-N 3.09Å; K776-R778 VanDerWaalsContact O-N 3.15Å | ||
| 777 | V | 30.2 | Very low | 31.7 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -53.1 | 116.8 | 177.1 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | Q775 | Q775-V777 PolarHBondContact O-N 2.9Š| ||
| 778 | R | 32.4 | Very low | 31.8 | Very low | 238 Ų | 238 | 149.7 Ų | 149.7 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -108.9 | 106.4 | 176.2 | -163.5 | 177.1 | -152.1 | 166.4 | 6.4 | 108.7 | K776 S780 | K776-R778 PolarHBondContact O-N 3.09Å; K776-R778 VanDerWaalsContact O-N 3.15Å; R778-S780 PolarHBondContact O-N 3.4Å | ||
| 779 | N | 32.3 | Very low | 31.7 | Very low | 140 Ų | 140 | 154.9 Ų | 154.9 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -55.8 | 122.2 | -171.8 | -70.5 | -14.1 | 0 | 0 | 0 | 112.8 | N781 | N779-N781 PolarHBondContact O-N 3.02Š| ||
| 780 | S | 30.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 153.3 Ų | 153.3 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -85.3 | 79.1 | 176.3 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | R778 | R778-S780 PolarHBondContact O-N 3.4Š| ||
| 781 | N | 33.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 156.3 Ų | 156.3 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -127.5 | 79.9 | 173 | -90.9 | -11.3 | 0 | 0 | 0 | 110.4 | N779 | N779-N781 PolarHBondContact O-N 3.02Š| ||
| 782 | N | 35 | Very low | 31.6 | Very low | 158 Ų | 158 | 156.5 Ų | 156.5 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -144.8 | 86.5 | 163.4 | -96.3 | -14.4 | 0 | 0 | 0 | 107.6 | C784 | N782-C784 PolarHBondContact O-N 3.44Š| ||
| 783 | Q | 33.1 | Very low | 31.7 | Very low | 191 Ų | 191 | 157.2 Ų | 157.2 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -80.9 | 105.8 | 169.4 | -75.3 | 178.9 | -34.1 | 0 | 0 | 108.5 | S785 | Q783-S785 PolarHBondContact O-N 2.95Å; Q783-S785 VanDerWaalsContact O-N 3.1Å | ||
| 784 | C | 31.6 | Very low | 31.4 | Very low | 125 Ų | 125 | 159.4 Ų | 159.4 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -77.4 | 90.8 | 172.8 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | N782 L786 | N782-C784 PolarHBondContact O-N 3.44Å; C784-L786 PolarHBondContact O-N 3.43Å | ||
| 785 | S | 34.7 | Very low | 31.2 | Very low | 97 Ų | 97 | 158.6 Ų | 158.6 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -66.8 | 118.3 | 167.2 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | Q783 D787 | Q783-S785 PolarHBondContact O-N 2.95Å; Q783-S785 VanDerWaalsContact O-N 3.1Å; S785-D787 PolarHBondContact O-N 3.29Å; S785-D787 VanDerWaalsContact O-N 3.16Å | ||
| 786 | L | 29.2 | Very low | 31.4 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -87.1 | 72.5 | -178.2 | -173.9 | 70.3 | 0 | 0 | 0 | 110.4 | C784 | C784-L786 PolarHBondContact O-N 3.43Š| ||
| 787 | D | 34 | Very low | 31.3 | Very low | 143 Ų | 143 | 154.1 Ų | 154.1 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 131.9 | 177.8 | -85.8 | -52.7 | 0 | 0 | 0 | 112.3 | S785 W789 | S785-D787 PolarHBondContact O-N 3.29Å; S785-D787 VanDerWaalsContact O-N 3.16Å; D787-W789 PolarHBondContact O-N 3.46Å |
| 788 | T | 32.1 | Very low | 31.3 | Very low | 132 Ų | 132 | 152.9 Ų | 152.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 116.4 | -170.5 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | P790 | T788-P790 WeakPolarHBondContact O-CD 3.29Š|
| 789 | W | 27.7 | Very low | 31.4 | Very low | 241 Ų | 241 | 150 Ų | 150 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 118.9 | -179.2 | -143.9 | -73.4 | 0 | 0 | 0 | 111.8 | D787 | D787-W789 PolarHBondContact O-N 3.46Š|
| 790 | P | 33.9 | Very low | 31.2 | Very low | 97 Ų | 97 | 150.1 Ų | 150.1 | 63% | 0.63 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 148.1 | -175.8 | 33 | -34.3 | 0 | 0 | 0 | 112.9 | T788 T792 | T788-P790 WeakPolarHBondContact O-CD 3.29Å; P790-T792 PolarHBondContact O-N 2.98Å |
| 791 | Y | 24.6 | Very low | 31.4 | Very low | 232 Ų | 232 | 151.5 Ų | 151.5 | 91% | 0.91 | 81% | 0.81 | S | S | * | * | trans | -72.2 | 106.4 | 179.9 | -164.9 | -95.2 | 0 | 0 | 0 | 111.3 | ||||
| 792 | T | 33.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 138.5 | 176.4 | 34.3 | 0 | 0 | 0 | 0 | 112.9 | P790 | P790-T792 PolarHBondContact O-N 2.98Š|
| 793 | Q | 30.1 | Very low | 31.1 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81 | 152.4 | -164 | -65.7 | 169.3 | -90.5 | 0 | 0 | 114.9 | ||
| 794 | Q | 25.8 | Very low | 31.1 | Very low | 196 Ų | 196 | 146.1 Ų | 146.1 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 132 | 157.8 | -63.8 | 169.8 | -38.9 | 0 | 0 | 110.5 | ||
| 795 | S | 30.3 | Very low | 31.1 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -158.5 | 135.3 | 142 | 50 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 796 | P | 34.9 | Very low | 31.2 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -89.9 | 152 | 174.2 | 35.6 | -32.5 | 0 | 0 | 0 | 110.7 | ||||
| 797 | D | 28.6 | Very low | 31.3 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | -168.7 | 160 | 129 | -123 | -32.7 | 0 | 0 | 0 | 115.8 | |||||
| 798 | S | 29.8 | Very low | 31.1 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | trans | 80.9 | 138.9 | 154.8 | 82.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 799 | Q | 33.2 | Very low | 31.3 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 67.3 | 83.2 | 153.8 | -65.6 | 167.4 | 33.7 | 0 | 0 | 117.3 | ||||
| 800 | N | 29.1 | Very low | 31.6 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | 70.1 | 87.3 | 65 | -166.9 | 23.5 | 0 | 0 | 0 | 114.4 | |||||
| 801 | V | 35.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -125.6 | 124.6 | 158.8 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 802 | T | 32.1 | Very low | 31.9 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | -89.6 | 129.6 | -171.8 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 803 | N | 29.7 | Very low | 31.9 | Very low | 138 Ų | 138 | 137 Ų | 137 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 37.1 | 103.9 | 139.4 | -170.6 | 7.3 | 0 | 0 | 0 | 118.1 | D805 | N803-D805 PolarHBondContact OD1-N 2.83Å; N803-D805 VanDerWaalsContact OD1-N 3.09Å | ||
| 804 | V | 33.8 | Very low | 31.8 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -128.2 | 83 | 151.3 | -176.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 805 | D | 30.6 | Very low | 32.2 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | -83.1 | 118.1 | 169.1 | -171.4 | 5.4 | 0 | 0 | 0 | 110 | N803 | N803-D805 PolarHBondContact OD1-N 2.83Å; N803-D805 VanDerWaalsContact OD1-N 3.09Å | ||
| 806 | S | 37.2 | Very low | 32.3 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | trans | -150.6 | 75 | 178.7 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | F808 | S806-F808 PolarHBondContact O-N 2.79Š| ||
| 807 | G | 30.2 | Very low | 31.9 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | -57.7 | 118.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H809 | G807-H809 PolarHBondContact O-N 3.22Š| ||
| 808 | F | 30.8 | Very low | 31.8 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -81 | 101.2 | 179.8 | -117 | -99.4 | 0 | 0 | 0 | 111 | S806 I810 | S806-F808 PolarHBondContact O-N 2.79Å; F808-I810 PolarHBondContact O-N 2.81Å | ||
| 809 | H | 34.9 | Very low | 32 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -73.6 | 109.2 | 171.9 | -87.8 | -87.4 | 0 | 0 | 0 | 111.2 | G807 S811 | G807-H809 PolarHBondContact O-N 3.22Å; H809-S811 PolarHBondContact O-N 3.38Å; H809-S811 PolarHBondContact O-OG 2.88Å | ||
| 810 | I | 34.3 | Very low | 31.9 | Very low | 160 Ų | 160 | 136 Ų | 136 | 82% | 0.821 | 77% | 0.768 | S | S | * | * | trans | -63.1 | 128.5 | 163.4 | -57.5 | 173.4 | 0 | 0 | 0 | 107.6 | F808 | F808-I810 PolarHBondContact O-N 2.81Š| ||
| 811 | S | 35.3 | Very low | 31.7 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -138.4 | 106.6 | -177.2 | 34.8 | 0 | 0 | 0 | 0 | 110.8 | H809 T813 | H809-S811 PolarHBondContact O-N 3.38Å; H809-S811 PolarHBondContact O-OG 2.88Å; S811-T813 PolarHBondContact O-N 3.31Å; S811-T813 VanDerWaalsContact O-N 3.13Å; S811-T813 PolarHBondContact O-OG1 3.38Å | ||
| 812 | D | 30.6 | Very low | 31.5 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | -64.4 | 110.7 | -176.7 | -62.9 | -60.6 | 0 | 0 | 0 | 111.6 | ||||
| 813 | T | 33.6 | Very low | 31.6 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | -122.8 | 98.9 | 177.7 | -54.4 | 0 | 0 | 0 | 0 | 110 | S811 I815 | S811-T813 PolarHBondContact O-N 3.31Å; S811-T813 VanDerWaalsContact O-N 3.13Å; S811-T813 PolarHBondContact O-OG1 3.38Å; T813-I815 HydrophobicContact CG2-CG1 4.29Å; T813-I815 PolarHBondContact O-N 3.14Å | ||
| 814 | C | 28.7 | Very low | 31.8 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | trans | -66.7 | 115.2 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 815 | I | 32.3 | Very low | 31.7 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -117.7 | 113.6 | 169.9 | -60.4 | -174.6 | 0 | 0 | 0 | 110.6 | T813 | T813-I815 HydrophobicContact CG2-CG1 4.29Å; T813-I815 PolarHBondContact O-N 3.14Å | ||
| 816 | T | 33.2 | Very low | 31.9 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | -30 | 132.1 | 177.1 | 49.9 | 0 | 0 | 0 | 0 | 118.4 | N818 | T816-N818 PolarHBondContact O-N 3.41Å; T816-N818 VanDerWaalsContact O-N 3.12Å | ||
| 817 | T | 26.1 | Very low | 31.6 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -55.1 | 107.7 | 151.7 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 818 | N | 27.9 | Very low | 31.6 | Very low | 139 Ų | 139 | 146 Ų | 146 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 169 | 104.2 | 144.5 | -91.9 | -34.1 | 0 | 0 | 0 | 111.9 | T816 | T816-N818 PolarHBondContact O-N 3.41Å; T816-N818 VanDerWaalsContact O-N 3.12Å | ||
| 819 | Q | 33.4 | Very low | 31.7 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -171.1 | 117 | 132.3 | -106 | 157.8 | 73.6 | 0 | 0 | 114 | ||||
| 820 | I | 30.2 | Very low | 31.6 | Very low | 151 Ų | 151 | 143 Ų | 143 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | 62.4 | 118.8 | 137.3 | -58.4 | 171.1 | 0 | 0 | 0 | 119.2 | ||||
| 821 | Y | 26.6 | Very low | 31.6 | Very low | 219 Ų | 219 | 140.6 Ų | 140.6 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -40.1 | 136 | 160 | -90.1 | -125.6 | 0 | 0 | 0 | 114.7 | ||||
| 822 | S | 30.9 | Very low | 31.5 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | trans | -135.5 | 114.2 | 148.4 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | D824 | S822-D824 PolarHBondContact O-N 3.14Š| ||
| 823 | P | 33.1 | Very low | 31.5 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -92.7 | 74.2 | -176.5 | 36.1 | -33.8 | 0 | 0 | 0 | 111.8 | N825 | P823-N825 PolarHBondContact O-N 2.96Š| ||
| 824 | D | 34.2 | Very low | 31.5 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -73.1 | 93.2 | 174 | -82.9 | -58.3 | 0 | 0 | 0 | 111.2 | S822 Q826 | S822-D824 PolarHBondContact O-N 3.14Å; D824-Q826 PolarHBondContact O-N 3.17Å | ||
| 825 | N | 31.5 | Very low | 31.6 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -75.1 | 68 | -175.9 | -167.4 | 24.3 | 0 | 0 | 0 | 111.7 | P823 Q827 | P823-N825 PolarHBondContact O-N 2.96Å; N825-Q827 PolarHBondContact O-N 2.91Å | ||
| 826 | Q | 34.6 | Very low | 31.7 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 90.9 | 177.4 | -68.5 | -162.7 | 6.9 | 0 | 0 | 111 | D824 C828 | D824-Q826 PolarHBondContact O-N 3.17Å; Q826-C828 PolarHBondContact O-N 2.84Å | ||
| 827 | Q | 31.5 | Very low | 31.6 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -63.2 | 116.9 | -179.6 | -166.1 | 168 | 11.8 | 0 | 0 | 110.6 | N825 N829 | N825-Q827 PolarHBondContact O-N 2.91Å; Q827-N829 PolarHBondContact O-N 3.26Å | ||
| 828 | C | 29.6 | Very low | 32 | Very low | 113 Ų | 113 | 153 Ų | 153 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -66.5 | 129 | -174.7 | -166.6 | 0 | 0 | 0 | 0 | 111.5 | Q826 I830 | Q826-C828 PolarHBondContact O-N 2.84Å; C828-I830 PolarHBondContact O-N 2.92Å; C828-I830 VanDerWaalsContact O-N 3.08Å | ||
| 829 | N | 33.7 | Very low | 32.2 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -69.6 | 102.1 | -178.5 | -84.3 | -46.7 | 0 | 0 | 0 | 111.5 | Q827 | Q827-N829 PolarHBondContact O-N 3.26Š| ||
| 830 | I | 33 | Very low | 32.2 | Very low | 148 Ų | 148 | 150 Ų | 150 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -84.5 | 120.7 | 165.8 | -60.7 | 176.1 | 0 | 0 | 0 | 107.9 | C828 H832 | C828-I830 PolarHBondContact O-N 2.92Å; C828-I830 VanDerWaalsContact O-N 3.08Å; I830-H832 PolarHBondContact O-N 3.4Å | ||
| 831 | P | 33.6 | Very low | 32.2 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -71.4 | 128.9 | -175.4 | 27.7 | -34 | 0 | 0 | 0 | 111.8 | L833 | P831-L833 PolarHBondContact O-N 3.27Š| ||
| 832 | H | 33.1 | Very low | 32.6 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | trans | -67.7 | 109.9 | 174.6 | -75.6 | -95.3 | 0 | 0 | 0 | 111.1 | I830 N834 | I830-H832 PolarHBondContact O-N 3.4Å; H832-N834 PolarHBondContact O-N 3.37Å | ||
| 833 | L | 31.9 | Very low | 32.8 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -67.4 | 113.7 | 162 | -85.3 | 103.6 | 0 | 0 | 0 | 109.3 | P831 L835 | P831-L833 PolarHBondContact O-N 3.27Å; L833-L835 PolarHBondContact O-N 3.03Å | ||
| 834 | N | 32.4 | Very low | 32.7 | Very low | 126 Ų | 126 | 150 Ų | 150 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | trans | -86.4 | 99.5 | -174.9 | -163.5 | 10 | 0 | 0 | 0 | 110.5 | H832 Y836 | H832-N834 PolarHBondContact O-N 3.37Å; N834-Y836 PolarHBondContact O-N 2.96Å | ||
| 835 | L | 32 | Very low | 32.8 | Very low | 143 Ų | 143 | 151.2 Ų | 151.2 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -70.8 | 92.7 | 179.6 | -78.8 | 162.8 | 0 | 0 | 0 | 111.1 | L833 F837 | L833-L835 PolarHBondContact O-N 3.03Å; L835-F837 HydrophobicContact CB-CE2 4.35Å; L835-F837 WeakPolarHBondContact O-CD2 3.38Å; L835-F837 PolarHBondContact O-N 2.98Å | ||
| 836 | Y | 34 | Very low | 32.9 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -72.5 | 104.7 | 168.3 | -92.8 | -92.4 | 0 | 0 | 0 | 110.6 | N834 H838 | N834-Y836 PolarHBondContact O-N 2.96Å; Y836-H838 PolarHBondContact O-N 2.82Å | ||
| 837 | F | 30.5 | Very low | 32.8 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -69.5 | 116.3 | 166.7 | -71.4 | -96.7 | 0 | 0 | 0 | 109.3 | L835 | L835-F837 HydrophobicContact CB-CE2 4.35Å; L835-F837 WeakPolarHBondContact O-CD2 3.38Å; L835-F837 PolarHBondContact O-N 2.98Å | ||
| 838 | H | 34.4 | Very low | 32.9 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -103.4 | 88.4 | 169.2 | -113.5 | -65.6 | 0 | 0 | 0 | 109 | Y836 S840 | Y836-H838 PolarHBondContact O-N 2.82Å; H838-S840 PolarHBondContact O-N 2.74Å; H838-S840 VanDerWaalsContact O-N 3.15Å | ||
| 839 | D | 32.5 | Very low | 32.9 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -67.5 | 108.7 | 170.4 | -69.4 | -43.1 | 0 | 0 | 0 | 109.4 | ||||
| 840 | S | 33.4 | Very low | 33 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -126.9 | 95.5 | 168 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | H838 | H838-S840 PolarHBondContact O-N 2.74Å; H838-S840 VanDerWaalsContact O-N 3.15Å | ||
| 841 | L | 30.9 | Very low | 32.9 | Very low | 139 Ų | 139 | 150 Ų | 150 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | -71.2 | 175 | 166.5 | -88 | 77.4 | 0 | 0 | 0 | 110.6 | ||||
| 842 | D | 33 | Very low | 32.8 | Very low | 130 Ų | 130 | 152.5 Ų | 152.5 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | 64 | 96.6 | 173.5 | -59.8 | -14.7 | 0 | 0 | 0 | 116 | ||||
| 843 | H | 35.3 | Very low | 32.7 | Very low | 186 Ų | 186 | 151.3 Ų | 151.3 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | -150 | 149.7 | 101.4 | -85.2 | -14.5 | 0 | 0 | 0 | 111 | |||||
| 844 | T | 32.1 | Very low | 32.8 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | -122.4 | 96.3 | -167 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 845 | D | 36 | Very low | 32.7 | Very low | 157 Ų | 157 | 151 Ų | 151 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -104.5 | 95 | 174.4 | -81.2 | -53.2 | 0 | 0 | 0 | 111.6 | Y847 | D845-Y847 PolarHBondContact O-N 3.39Š| ||
| 846 | E | 33.9 | Very low | 32.7 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 66% | 0.659 | 76% | 0.756 | S | S | * | * | trans | -72.8 | 84.2 | 172.9 | -72 | -166.4 | 126.4 | 0 | 0 | 112.1 | K848 | E846-K848 PolarHBondContact O-N 2.9Å; E846-K848 VanDerWaalsContact O-N 3.08Å; E846-K848 IonicContact OE1-NZ 3.66Å; E846-K848 IonicContact OE2-NZ 2.59Å; E846-K848 PolarHBondContact OE2-NZ 3.09Å | ||
| 847 | Y | 31.7 | Very low | 32.6 | Very low | 233 Ų | 233 | 149.9 Ų | 149.9 | 91% | 0.914 | 76% | 0.762 | S | S | * | * | trans | -80.5 | 91 | 169.3 | -133.8 | -91.2 | 0 | 0 | 0 | 111.8 | D845 | D845-Y847 PolarHBondContact O-N 3.39Š| ||
| 848 | K | 33.1 | Very low | 32.7 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 60% | 0.6 | 76% | 0.756 | S | S | * | * | trans | -67 | 132.4 | -173.4 | -71.6 | -173.2 | 173 | 77.9 | 0 | 113.4 | E846 N850 | E846-K848 PolarHBondContact O-N 2.9Å; E846-K848 VanDerWaalsContact O-N 3.08Å; E846-K848 IonicContact OE1-NZ 3.66Å; E846-K848 IonicContact OE2-NZ 2.59Å; E846-K848 PolarHBondContact OE2-NZ 3.09Å; K848-N850 PolarHBondContact O-N 2.84Å; K848-N850 VanDerWaalsContact O-N 3.15Å | ||
| 849 | S | 31.3 | Very low | 32.3 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -75.8 | 93.2 | 175 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | V851 | S849-V851 PolarHBondContact O-N 3.19Å; S849-V851 VanDerWaalsContact O-N 3.12Å | ||
| 850 | N | 35.1 | Very low | 32.1 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -79.2 | 89.6 | 169.7 | -78.8 | -14.4 | 0 | 0 | 0 | 110.7 | K848 Q852 | K848-N850 PolarHBondContact O-N 2.84Å; K848-N850 VanDerWaalsContact O-N 3.15Å; N850-Q852 PolarHBondContact O-N 2.66Å; N850-Q852 VanDerWaalsContact O-N 3.1Å | ||
| 851 | V | 30.6 | Very low | 32 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | trans | -78.3 | 87.2 | 171.2 | -178 | 0 | 0 | 0 | 0 | 109.3 | S849 Q853 | S849-V851 PolarHBondContact O-N 3.19Å; S849-V851 VanDerWaalsContact O-N 3.12Å; V851-Q853 HydrophobicContact CG1-CG 4.49Å | ||
| 852 | Q | 32.1 | Very low | 32.1 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | -94.5 | 110.1 | 171 | -165.9 | 81.3 | 14.8 | 0 | 0 | 108.8 | N850 | N850-Q852 PolarHBondContact O-N 2.66Å; N850-Q852 VanDerWaalsContact O-N 3.1Å | ||
| 853 | Q | 30.3 | Very low | 32.1 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -87.2 | 110.2 | 174.5 | -68.6 | -179.8 | -33.9 | 0 | 0 | 110.2 | V851 | V851-Q853 HydrophobicContact CG1-CG 4.49Š| ||
| 854 | D | 34 | Very low | 31.9 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | -123 | 91.3 | 167.7 | -88.9 | -58.9 | 0 | 0 | 0 | 110.9 | S856 | D854-S856 PolarHBondContact O-N 3.12Š| ||
| 855 | N | 29.8 | Very low | 31.9 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -79.3 | 87.9 | 174.7 | -81.5 | -28.2 | 0 | 0 | 0 | 110.7 | ||||
| 856 | S | 33.5 | Very low | 31.6 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | -110.1 | 83.1 | 173.2 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | D854 T858 | D854-S856 PolarHBondContact O-N 3.12Å; S856-T858 VanDerWaalsContact C-N 3.27Å; S856-T858 PolarHBondContact O-N 3.1Å | ||
| 857 | Y | 31.2 | Very low | 31.6 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -69.6 | 78.5 | 167.2 | -92.1 | -91.7 | 0 | 0 | 0 | 111 | C859 | Y857-C859 PolarHBondContact O-N 3.18Š| ||
| 858 | T | 32.3 | Very low | 31.7 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | trans | -90.3 | 75.4 | 173.9 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | S856 L860 | S856-T858 VanDerWaalsContact C-N 3.27Å; S856-T858 PolarHBondContact O-N 3.1Å; T858-L860 VanDerWaalsContact C-N 3.28Å; T858-L860 PolarHBondContact O-N 3.04Å | ||
| 859 | C | 26 | Very low | 31.6 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -68.1 | 85.3 | 163.6 | -72.4 | 0 | 0 | 0 | 0 | 109.8 | Y857 | Y857-C859 PolarHBondContact O-N 3.18Š| ||
| 860 | L | 29.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -114.1 | 113.3 | -175.8 | -101.3 | 170.5 | 0 | 0 | 0 | 113.9 | T858 | T858-L860 VanDerWaalsContact C-N 3.28Å; T858-L860 PolarHBondContact O-N 3.04Å | ||
| 861 | S | 30.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 52.4 | 127.1 | 157 | -150.2 | 0 | 0 | 0 | 0 | 120.2 | G863 | S861-G863 PolarHBondContact O-N 2.76Š| ||
| 862 | K | 31.6 | Very low | 31.3 | Very low | 204 Ų | 204 | 135.1 Ų | 135.1 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | trans | -52.5 | 128.9 | 151.9 | -59.9 | 170.2 | -179.2 | 177.5 | 0 | 108.8 | ||||
| 863 | G | 33 | Very low | 31.2 | Very low | 71 Ų | 71 | 135.1 Ų | 135.1 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | -115.9 | 133.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | S861 | S861-G863 PolarHBondContact O-N 2.76Š| ||
| 864 | E | 32.9 | Very low | 31.3 | Very low | 192 Ų | 192 | 132.8 Ų | 132.8 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | trans | -84.2 | 120.1 | -169.1 | -63.5 | 171.9 | 133 | 0 | 0 | 111.5 | ||||
| 865 | C | 31.7 | Very low | 31.1 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -134.7 | 73 | 168.2 | -84.9 | 0 | 0 | 0 | 0 | 109.7 | S867 | C865-S867 PolarHBondContact O-N 2.94Š| ||
| 866 | S | 29.7 | Very low | 31.1 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -77.2 | 97.6 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 867 | S | 33.9 | Very low | 31 | Very low | 85 Ų | 85 | 142.9 Ų | 142.9 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | trans | -152.8 | 95.5 | 164.3 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | C865 F869 | C865-S867 PolarHBondContact O-N 2.94Å; S867-F869 PolarHBondContact O-N 2.93Å | ||
| 868 | N | 33 | Very low | 31.1 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -71.4 | 94.6 | -177.5 | -75.2 | -30.3 | 0 | 0 | 0 | 111.7 | S870 | N868-S870 PolarHBondContact O-N 3.03Š| ||
| 869 | F | 30.6 | Very low | 31 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | -75.5 | 62.7 | 162.5 | -86.1 | -84.2 | 0 | 0 | 0 | 111.3 | S867 | S867-F869 PolarHBondContact O-N 2.93Š| ||
| 870 | S | 31.9 | Very low | 31.2 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -82 | 112 | 167.2 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | N868 G872 | N868-S870 PolarHBondContact O-N 3.03Å; S870-G872 PolarHBondContact O-N 3.29Å | ||
| 871 | C | 29.2 | Very low | 31 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 69.5 | 178.4 | -165.4 | 0 | 0 | 0 | 0 | 111.1 | I873 | C871-I873 PolarHBondContact O-N 3.47Å; C871-I873 VanDerWaalsContact O-N 3.11Å | ||
| 872 | G | 30.9 | Very low | 31 | Very low | 48 Ų | 48 | 144.7 Ų | 144.7 | 50% | 0.495 | 79% | 0.789 | S | S | . | * | trans | -76.7 | 90.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S870 T874 | S870-G872 PolarHBondContact O-N 3.29Å; G872-T874 PolarHBondContact O-N 3.26Å; G872-T874 PolarHBondContact O-OG1 3Å | ||
| 873 | I | 30.3 | Very low | 30.9 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -58.5 | 98.6 | 173.9 | -59 | 175.5 | 0 | 0 | 0 | 109 | C871 | C871-I873 PolarHBondContact O-N 3.47Å; C871-I873 VanDerWaalsContact O-N 3.11Å | ||
| 874 | T | 30.9 | Very low | 30.6 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -116.5 | 118.6 | 179.5 | 38.3 | 0 | 0 | 0 | 0 | 109.1 | G872 R876 | G872-T874 PolarHBondContact O-N 3.26Å; G872-T874 PolarHBondContact O-OG1 3Å; T874-R876 VanDerWaalsContact C-N 3.3Å; T874-R876 PolarHBondContact O-N 3.33Å | ||
| 875 | N | 30.2 | Very low | 30.6 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -76.9 | 74.7 | -166.5 | -165.8 | -18.2 | 0 | 0 | 0 | 111.9 | R877 | N875-R877 PolarHBondContact O-N 3.47Å; N875-R877 VanDerWaalsContact O-N 3.09Å | ||
| 876 | R | 29.3 | Very low | 30.6 | Very low | 219 Ų | 219 | 143.2 Ų | 143.2 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -71.8 | 96.1 | 169.1 | -79.3 | -167.9 | 173.4 | -158.9 | -1 | 109.6 | T874 N878 | T874-R876 VanDerWaalsContact C-N 3.3Å; T874-R876 PolarHBondContact O-N 3.33Å; R876-N878 PolarHBondContact O-N 3.02Å; R876-N878 VanDerWaalsContact O-N 3.11Å | ||
| 877 | R | 31.4 | Very low | 30.5 | Very low | 220 Ų | 220 | 143.3 Ų | 143.3 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -55.2 | 115.1 | 159 | -75.3 | -173.3 | 171.1 | 106.2 | -2.7 | 108.4 | N875 | N875-R877 PolarHBondContact O-N 3.47Å; N875-R877 VanDerWaalsContact O-N 3.09Å | ||
| 878 | N | 33 | Very low | 30.6 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -70.8 | 139 | 172.9 | -79.4 | -31.8 | 0 | 0 | 0 | 109.9 | R876 I880 | R876-N878 PolarHBondContact O-N 3.02Å; R876-N878 VanDerWaalsContact O-N 3.11Å; N878-I880 PolarHBondContact O-N 2.76Å; N878-I880 VanDerWaalsContact O-N 3.14Å | ||
| 879 | N | 31.2 | Very low | 30.3 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -71.8 | 105.5 | 178.4 | -60.4 | -45.7 | 0 | 0 | 0 | 109.5 | L881 | N879-L881 PolarHBondContact O-N 3.1Å; N879-L881 VanDerWaalsContact O-N 3.09Å | ||
| 880 | I | 29.3 | Very low | 30.3 | Very low | 158 Ų | 158 | 139 Ų | 139 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -74.4 | 101.1 | 166.5 | -63.7 | -178.3 | 0 | 0 | 0 | 107.5 | N878 V882 | N878-I880 PolarHBondContact O-N 2.76Å; N878-I880 VanDerWaalsContact O-N 3.14Å; I880-V882 HydrophobicContact CG2-CG2 4.37Å; I880-V882 PolarHBondContact O-N 3.02Å | ||
| 881 | L | 26 | Very low | 30.2 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -78.1 | 106.6 | -179 | -176.6 | 72.1 | 0 | 0 | 0 | 109.8 | N879 | N879-L881 PolarHBondContact O-N 3.1Å; N879-L881 VanDerWaalsContact O-N 3.09Å | ||
| 882 | V | 31.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | trans | -98.6 | 137.1 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | I880 | I880-V882 HydrophobicContact CG2-CG2 4.37Å; I880-V882 PolarHBondContact O-N 3.02Å | ||
| 883 | P | 30.1 | Very low | 30.2 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -71.3 | 138.2 | -161.5 | -22.2 | 35.5 | 0 | 0 | 0 | 115.4 | A885 | P883-A885 PolarHBondContact O-N 2.84Š| ||
| 884 | R | 25.2 | Very low | 30.3 | Very low | 246 Ų | 246 | 144.4 Ų | 144.4 | 93% | 0.928 | 77% | 0.772 | S | S | * | * | trans | -74 | 87.3 | 172.3 | -178.3 | -177.8 | -178.8 | 139.2 | -2.1 | 110.6 | S886 | R884-S886 PolarHBondContact O-N 2.9Š| ||
| 885 | A | 33.3 | Very low | 30.2 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 127.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P883 | P883-A885 PolarHBondContact O-N 2.84Š|
| 886 | S | 31.2 | Very low | 30.3 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 141.4 | -175.1 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | R884 P888 | R884-S886 PolarHBondContact O-N 2.9Å; S886-P888 WeakPolarHBondContact O-CD 3.37Å |
| 887 | S | 29.3 | Very low | 30.4 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 124.3 | 168.9 | -46.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 888 | P | 34.3 | Very low | 30.2 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -123.8 | 158.4 | 141.8 | 37 | -28.7 | 0 | 0 | 0 | 110.1 | S886 | S886-P888 WeakPolarHBondContact O-CD 3.37Š| ||
| 889 | L | 28.3 | Very low | 30.3 | Very low | 140 Ų | 140 | 137 Ų | 137 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | cis | -165.3 | -178.6 | -24.9 | -144.8 | 67.3 | 0 | 0 | 0 | 105.9 | ||||
| 890 | D | 29.5 | Very low | 30.1 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 57% | 0.572 | 76% | 0.762 | S | S | * | * | trans | 60.1 | 106.4 | 149.5 | -59.2 | -12.8 | 0 | 0 | 0 | 122 | ||||
| 891 | H | 30.3 | Very low | 30.2 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | 74.2 | 145.6 | 128.2 | -54 | -29.9 | 0 | 0 | 0 | 119.3 | |||||
| 892 | T | 30 | Very low | 30.2 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -148.8 | 144.4 | 4.1 | -10.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 893 | T | 29.2 | Very low | 30.2 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | trans | 22.9 | 121.1 | 149.2 | 53 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 894 | N | 32.9 | Very low | 30.1 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | -160.3 | 118.2 | 98.3 | -96.6 | -23.7 | 0 | 0 | 0 | 114.1 | |||||
| 895 | N | 28 | Very low | 30.7 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | trans | -43 | 143.4 | 158.6 | -83.8 | -33 | 0 | 0 | 0 | 111.2 | ||||
| 896 | L | 32.7 | Very low | 30.3 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | -170.3 | 154.9 | 79.7 | -99.9 | 170.3 | 0 | 0 | 0 | 113.6 | |||||
| 897 | N | 32.6 | Very low | 30.1 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | trans | 57.5 | 88.2 | 157.8 | -129.8 | 69.6 | 0 | 0 | 0 | 119.6 | D899 | N897-D899 PolarHBondContact ND2-OD2 3.37Š| ||
| 898 | C | 26.5 | Very low | 30.2 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 86% | 0.858 | 75% | 0.747 | S | S | * | * | trans | -100.6 | 116.9 | 147 | -61.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 899 | D | 34 | Very low | 29.9 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | -94.1 | 105.6 | 166.5 | -89 | -57.9 | 0 | 0 | 0 | 110.2 | N897 | N897-D899 PolarHBondContact ND2-OD2 3.37Š| ||
| 900 | T | 29 | Very low | 29.9 | Very low | 116 Ų | 116 | 138 Ų | 138 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | trans | -44.1 | 157.7 | 152.7 | 20.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 901 | T | 30.9 | Very low | 30.1 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -173.7 | 150.1 | 43.9 | -21.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 902 | Y | 24.7 | Very low | 29.8 | Very low | 217 Ų | 217 | 143 Ų | 143 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | 62.9 | 160.8 | 138.3 | -100.2 | -156.4 | 0 | 0 | 0 | 118.9 | ||||
| 903 | I | 32.2 | Very low | 29.8 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | cis | -137.3 | 149.7 | 1 | -60.4 | -173 | 0 | 0 | 0 | 109 | ||||
| 904 | D | 28.7 | Very low | 29.9 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -108.8 | 125 | 158.9 | -163.2 | -0.7 | 0 | 0 | 0 | 107.3 | ||||
| 905 | P | 36.2 | Very low | 29.6 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | -158.4 | 147.4 | 98.5 | 41 | -20.6 | 0 | 0 | 0 | 118.9 | |||||
| 906 | L | 25.6 | Very low | 29.9 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 41.3 | 109.7 | 121.4 | -152.7 | 74.8 | 0 | 0 | 0 | 122.2 | |||||
| 907 | V | 27 | Very low | 29.7 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | 52.6 | 118.4 | 138.6 | -175.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 908 | I | 31.9 | Very low | 29.7 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -130.3 | 149.3 | 134.2 | -64.8 | -175.6 | 0 | 0 | 0 | 108 | ||||
| 909 | S | 28.2 | Very low | 29.7 | Very low | 84 Ų | 84 | 144.8 Ų | 144.8 | 59% | 0.587 | 77% | 0.77 | S | S | * | * | trans | -100.3 | 162.4 | -170.6 | 53.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 910 | E | 27.7 | Very low | 29.7 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | 50.6 | 110.5 | 147.4 | -69.1 | 164 | 179.6 | 0 | 0 | 119.5 | ||||
| 911 | Q | 33 | Very low | 29.8 | Very low | 200 Ų | 200 | 145 Ų | 145 | 94% | 0.935 | 78% | 0.775 | S | S | * | * | trans | -139 | 124.9 | 143.9 | -167.5 | 162.6 | 2.2 | 0 | 0 | 110.9 | ||||
| 912 | E | 26 | Very low | 29.7 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -96.2 | 177.7 | -177.9 | -166.3 | 176.8 | -151.5 | 0 | 0 | 111.1 | ||||
| 913 | V | 28.3 | Very low | 30.1 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | 78.8 | 103.9 | 166.8 | -162 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 914 | V | 32.5 | Very low | 30.1 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | -178.9 | 130 | 109.6 | 156.2 | 0 | 0 | 0 | 0 | 108.4 | V916 | V914-V916 HydrophobicContact CG1-CG2 4.22Š| |||
| 915 | E | 26.9 | Very low | 30.3 | Very low | 178 Ų | 178 | 146.7 Ų | 146.7 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -78.1 | 138 | 169.4 | -62.9 | 174.4 | 97.6 | 0 | 0 | 111.8 | ||||
| 916 | V | 34.5 | Very low | 30.1 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | -136.5 | 95.7 | 156.3 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | V914 I918 | V914-V916 HydrophobicContact CG1-CG2 4.22Å; V916-I918 HydrophobicContact CG1-CD1 4.42Å; V916-I918 HydrophobicContact CG1-CG1 4.28Å | ||
| 917 | S | 26.6 | Very low | 30.3 | Very low | 113 Ų | 113 | 151 Ų | 151 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -76.9 | 120.4 | 171.7 | -77.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 918 | I | 32.8 | Very low | 30.5 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | -131.1 | 112.6 | 161.8 | -61.5 | -179.7 | 0 | 0 | 0 | 108.3 | V916 | V916-I918 HydrophobicContact CG1-CD1 4.42Å; V916-I918 HydrophobicContact CG1-CG1 4.28Å | ||
| 919 | H | 27.5 | Very low | 30.5 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | -68.3 | 135.7 | 166.7 | -85.2 | -74.2 | 0 | 0 | 0 | 110.5 | ||||
| 920 | N | 34.3 | Very low | 30.6 | Very low | 160 Ų | 160 | 150.7 Ų | 150.7 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -155.4 | 144.6 | 142.8 | -97.8 | -40.8 | 0 | 0 | 0 | 109.2 | ||||
| 921 | S | 30.7 | Very low | 30.8 | Very low | 97 Ų | 97 | 151.4 Ų | 151.4 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -100.5 | 146.7 | -165.9 | -48.4 | 0 | 0 | 0 | 0 | 113.9 | Q923 | S921-Q923 PolarHBondContact O-N 3.44Š| ||
| 922 | D | 28.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 31.7 | 82.4 | 141.8 | -53.4 | -37.3 | 0 | 0 | 0 | 118.7 | ||||
| 923 | Q | 33.8 | Very low | 31.1 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -138.7 | 90.9 | 148.2 | -79.6 | -163.7 | 2.2 | 0 | 0 | 111.4 | S921 | S921-Q923 PolarHBondContact O-N 3.44Š| ||
| 924 | L | 32.2 | Very low | 31.3 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -118.6 | 89 | 164.5 | -89.4 | 167 | 0 | 0 | 0 | 109.4 | ||||
| 925 | S | 32 | Very low | 31.4 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -73.4 | 133.3 | 173.1 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | Q927 | S925-Q927 PolarHBondContact O-N 3.49Š| ||
| 926 | Q | 30.8 | Very low | 31.8 | Very low | 170 Ų | 170 | 148 Ų | 148 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 115.6 | -176.6 | -71.1 | 178.8 | -19.1 | 0 | 0 | 111.5 | N928 | Q926-N928 PolarHBondContact O-N 3.41Å; Q926-N928 VanDerWaalsContact O-N 3.12Å | ||
| 927 | Q | 30.6 | Very low | 31.6 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -87.8 | 71.8 | -177 | -164.4 | 175.2 | 21.4 | 0 | 0 | 111.8 | S925 V929 | S925-Q927 PolarHBondContact O-N 3.49Å; Q927-V929 HydrophobicContact CG-CG2 4.31Å; Q927-V929 PolarHBondContact O-N 2.94Å | ||
| 928 | N | 31 | Very low | 31.7 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -70.2 | 100.5 | 173.1 | -84.7 | -12.3 | 0 | 0 | 0 | 110.8 | Q926 | Q926-N928 PolarHBondContact O-N 3.41Å; Q926-N928 VanDerWaalsContact O-N 3.12Å | ||
| 929 | V | 31.5 | Very low | 31.7 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 65% | 0.648 | 80% | 0.799 | S | S | * | * | trans | -83.2 | 114.5 | 174.2 | 179 | 0 | 0 | 0 | 0 | 109.8 | Q927 | Q927-V929 HydrophobicContact CG-CG2 4.31Å; Q927-V929 PolarHBondContact O-N 2.94Å | ||
| 930 | C | 31.1 | Very low | 31.8 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72 | 127 | 178 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 931 | F | 32 | Very low | 31.8 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 140.2 | 163 | -85 | -84.5 | 0 | 0 | 0 | 111 | ||
| 932 | T | 33.9 | Very low | 31.9 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -86 | 122.2 | -170.8 | 41.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 933 | N | 31.9 | Very low | 32.2 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 124.2 | 166.7 | -171.2 | -3.5 | 0 | 0 | 0 | 109.4 | N935 | N933-N935 PolarHBondContact OD1-OD1 2.98Š|
| 934 | R | 31.5 | Very low | 32.2 | Very low | 197 Ų | 197 | 146.6 Ų | 146.6 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -118.7 | 77.4 | -174.5 | -172.6 | -177.8 | 177 | 153.8 | 2.9 | 110.4 | D936 | R934-D936 IonicContact NE-OD1 3.47Å; R934-D936 IonicContact NE-OD2 2.76Å; R934-D936 PolarHBondContact NE-OD2 2.77Å; R934-D936 PolarHBondContact O-N 2.79Å | ||
| 935 | N | 34.7 | Very low | 32.3 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -80.4 | 94.8 | 169.8 | -75.9 | -13.2 | 0 | 0 | 0 | 109.3 | N933 T937 | N933-N935 PolarHBondContact OD1-OD1 2.98Å; N935-T937 PolarHBondContact O-N 3.38Å | ||
| 936 | D | 35 | Very low | 32.6 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | trans | -70.5 | 127.7 | 174.5 | -73.3 | -36 | 0 | 0 | 0 | 110.4 | R934 | R934-D936 IonicContact NE-OD1 3.47Å; R934-D936 IonicContact NE-OD2 2.76Å; R934-D936 PolarHBondContact NE-OD2 2.77Å; R934-D936 PolarHBondContact O-N 2.79Å | ||
| 937 | T | 31.1 | Very low | 32.8 | Very low | 139 Ų | 139 | 146 Ų | 146 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -57.8 | 140.8 | -175.8 | 39 | 0 | 0 | 0 | 0 | 114.8 | N935 | N935-T937 PolarHBondContact O-N 3.38Š| ||
| 938 | C | 28.7 | Very low | 32.9 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -120.2 | 153.4 | 153.6 | -156.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 939 | T | 31.8 | Very low | 32.7 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -94.2 | 140.9 | -150.6 | -45.1 | 0 | 0 | 0 | 0 | 114.2 | L941 | T939-L941 PolarHBondContact O-N 2.95Š| ||
| 940 | I | 31.4 | Very low | 32.7 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -63.3 | 128.5 | 172 | -59.9 | 163.7 | 0 | 0 | 0 | 110 | ||||
| 941 | L | 33.5 | Very low | 32.6 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -110.3 | 125.1 | 159 | -74.1 | 175.7 | 0 | 0 | 0 | 108.9 | T939 | T939-L941 PolarHBondContact O-N 2.95Š| ||
| 942 | S | 31.8 | Very low | 32.5 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -71 | 133 | -175.4 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 943 | T | 36.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -122.4 | 109.9 | 156.3 | 39 | 0 | 0 | 0 | 0 | 107.3 | Q945 | T943-Q945 PolarHBondContact O-N 3.06Š| ||
| 944 | E | 34 | Very low | 32.6 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -74.5 | 122.3 | 177.1 | -72.4 | 178.2 | 127.6 | 0 | 0 | 109.5 | ||||
| 945 | Q | 34.2 | Very low | 32.7 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | 31.1 | 99.3 | 124.2 | -57.3 | -174 | 9.8 | 0 | 0 | 116.2 | T943 | T943-Q945 PolarHBondContact O-N 3.06Š| |||
| 946 | D | 37 | Very low | 32.5 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -113.2 | 162.5 | 145.9 | -145 | -28 | 0 | 0 | 0 | 110.6 | S948 | D946-S948 PolarHBondContact O-N 3.26Š| ||
| 947 | T | 37 | Very low | 32.6 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | -87.7 | 106.8 | -141.7 | 42.1 | 0 | 0 | 0 | 0 | 114.8 | C949 | T947-C949 PolarHBondContact O-N 3.38Š| ||
| 948 | S | 31.1 | Very low | 32.7 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | 17.6 | 81 | 129.4 | 174.4 | 0 | 0 | 0 | 0 | 117 | D946 | D946-S948 PolarHBondContact O-N 3.26Š| |||
| 949 | C | 28.2 | Very low | 32.7 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -119.1 | 114.3 | 155.7 | -89.2 | 0 | 0 | 0 | 0 | 110.3 | T947 C951 | T947-C949 PolarHBondContact O-N 3.38Å; C949-C951 PolarHBondContact O-N 2.85Å | ||
| 950 | K | 31.1 | Very low | 32.9 | Very low | 200 Ų | 200 | 145 Ų | 145 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -76 | 107.5 | -179 | -67.4 | 177 | 177.9 | 178 | 0 | 110.9 | ||||
| 951 | C | 27.7 | Very low | 32.8 | Very low | 121 Ų | 121 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -95.4 | 91.9 | 153.8 | -71.6 | 0 | 0 | 0 | 0 | 108.6 | C949 V953 | C949-C951 PolarHBondContact O-N 2.85Å; C951-V953 PolarHBondContact O-N 2.87Å | ||
| 952 | A | 31.6 | Very low | 33 | Very low | 90 Ų | 90 | 140.7 Ų | 140.7 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -81 | 92.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 953 | V | 32.5 | Very low | 33 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -109.9 | 90.8 | 168.4 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | C951 E955 | C951-V953 PolarHBondContact O-N 2.87Å; V953-E955 PolarHBondContact O-N 2.86Å | ||
| 954 | T | 33.7 | Very low | 32.6 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -82.5 | 113.7 | -177.4 | 42 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 955 | E | 34 | Very low | 32.6 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 53.7 | 96.3 | 142.5 | -58.7 | -175.5 | 123 | 0 | 0 | 118.5 | V953 Q957 | V953-E955 PolarHBondContact O-N 2.86Å; E955-Q957 PolarHBondContact O-N 3.45Å | ||
| 956 | V | 31.4 | Very low | 32.5 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -68.3 | 119.6 | 144.8 | 176.1 | 0 | 0 | 0 | 0 | 107.8 | N958 | V956-N958 PolarHBondContact O-N 2.98Å; V956-N958 VanDerWaalsContact O-N 3.15Å | ||
| 957 | Q | 35.7 | Very low | 32.3 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | -71.8 | 105.8 | 176.8 | -72 | -172.2 | -29.3 | 0 | 0 | 111.1 | E955 I959 | E955-Q957 PolarHBondContact O-N 3.45Å; Q957-I959 PolarHBondContact O-N 2.96Å | ||
| 958 | N | 33.7 | Very low | 32.2 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -72.9 | 122 | 166.1 | -105.2 | -22.4 | 0 | 0 | 0 | 110 | V956 | V956-N958 PolarHBondContact O-N 2.98Å; V956-N958 VanDerWaalsContact O-N 3.15Å | ||
| 959 | I | 29.8 | Very low | 32.2 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 80% | 0.795 | 81% | 0.813 | S | S | * | * | trans | -88.8 | 114.6 | 167.1 | -61.2 | 174.8 | 0 | 0 | 0 | 107.3 | Q957 | Q957-I959 PolarHBondContact O-N 2.96Š| ||
| 960 | H | 34.5 | Very low | 32.3 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -138 | 66.5 | 172.7 | -142.6 | -75.4 | 0 | 0 | 0 | 111.4 | ||||
| 961 | A | 30.6 | Very low | 32.3 | Very low | 86 Ų | 86 | 144.8 Ų | 144.8 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | -86.5 | 107.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 962 | N | 36.3 | Very low | 32.4 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -156.9 | 34.9 | 172.7 | -102.9 | -23.9 | 0 | 0 | 0 | 112.9 | W964 | N962-W964 PolarHBondContact O-N 3.46Š| ||
| 963 | D | 32.8 | Very low | 32.3 | Very low | 162 Ų | 162 | 146 Ų | 146 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -79.9 | 81.7 | 174.2 | -74.5 | -35.2 | 0 | 0 | 0 | 111.2 | ||||
| 964 | W | 27 | Very low | 32.3 | Very low | 249 Ų | 249 | 142.9 Ų | 142.9 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | -126.5 | 61.1 | 179.2 | -106.6 | 62.3 | 0 | 0 | 0 | 112.6 | N962 | N962-W964 PolarHBondContact O-N 3.46Š| ||
| 965 | T | 34.8 | Very low | 32.2 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -133.1 | 43.4 | 170.8 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | K967 | T965-K967 PolarHBondContact O-N 3.46Å; T965-K967 VanDerWaalsContact O-N 3.14Å | ||
| 966 | G | 31.6 | Very low | 32.1 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -74.3 | 92.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 967 | K | 34.3 | Very low | 31.9 | Very low | 204 Ų | 204 | 143.1 Ų | 143.1 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 139.5 | 176.7 | -77.7 | -172.5 | 174.6 | -178.1 | 0 | 111.7 | T965 | T965-K967 PolarHBondContact O-N 3.46Å; T965-K967 VanDerWaalsContact O-N 3.14Å |
| 968 | E | 33.4 | Very low | 31.4 | Very low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 157.9 | -179.1 | -61.7 | -176.3 | 130.3 | 0 | 0 | 113.6 | ||
| 969 | S | 31.9 | Very low | 31.4 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 123.6 | -169.3 | -53 | 0 | 0 | 0 | 0 | 115.2 | I971 | S969-I971 PolarHBondContact O-N 3.23Š|
| 970 | S | 29.3 | Very low | 31.5 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -82.4 | 102.1 | 157.3 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | C972 | S970-C972 PolarHBondContact O-N 2.96Š| ||
| 971 | I | 31 | Very low | 31.5 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -87.8 | 107.9 | 179.6 | -59.6 | 176.8 | 0 | 0 | 0 | 110.1 | S969 | S969-I971 PolarHBondContact O-N 3.23Š| ||
| 972 | C | 30.9 | Very low | 31.6 | Very low | 122 Ų | 122 | 147 Ų | 147 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -106.2 | 108.5 | 171.9 | -80 | 0 | 0 | 0 | 0 | 111.7 | S970 | S970-C972 PolarHBondContact O-N 2.96Š| ||
| 973 | S | 29.3 | Very low | 31.6 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | 8 | 106.4 | 155.4 | 174.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 974 | G | 33.1 | Very low | 31.7 | Very low | 75 Ų | 75 | 152.4 Ų | 152.4 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -145.2 | 107 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 975 | N | 31.4 | Very low | 32.1 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -73.4 | 134.7 | -172.8 | -68.5 | -31.8 | 0 | 0 | 0 | 113.2 | ||||
| 976 | C | 30.5 | Very low | 32.1 | Very low | 132 Ų | 132 | 145 Ų | 145 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | trans | -149.4 | 145.5 | 147.4 | -159.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 977 | L | 27.9 | Very low | 32.1 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | trans | -94.6 | 141.7 | -167.3 | -97.9 | 74.2 | 0 | 0 | 0 | 114.2 | ||||
| 978 | V | 25.8 | Very low | 32.3 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | trans | 45.8 | 111.6 | 136.2 | -175.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 979 | K | 33.2 | Very low | 32.2 | Very low | 203 Ų | 203 | 144 Ų | 144 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | -157.7 | 83.7 | 126.5 | -109.9 | 163.8 | -171.3 | 174.2 | 0 | 110.8 | N981 | K979-N981 PolarHBondContact O-N 3.49Š| |||
| 980 | I | 33 | Very low | 32.3 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | -69.2 | 123 | 166.5 | -59.4 | 173.9 | 0 | 0 | 0 | 106.8 | E982 | I980-E982 HydrophobicContact CG2-CG 4.26Š| ||
| 981 | N | 34.4 | Very low | 32.7 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -119.2 | 93.4 | -178.7 | -153.1 | 17 | 0 | 0 | 0 | 107.8 | K979 R983 | K979-N981 PolarHBondContact O-N 3.49Å; N981-R983 PolarHBondContact O-N 3.48Å | ||
| 982 | E | 32.7 | Very low | 32.7 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -65.4 | 100.5 | -171.6 | -65.7 | 178.3 | 165.7 | 0 | 0 | 111.7 | I980 | I980-E982 HydrophobicContact CG2-CG 4.26Š| ||
| 983 | R | 34.9 | Very low | 32.9 | Very low | 218 Ų | 218 | 152 Ų | 152 | 82% | 0.823 | 80% | 0.796 | S | S | * | * | trans | -141.8 | 57.1 | 164.4 | -72.9 | -160.5 | 176.7 | -160.4 | -0.3 | 111.5 | N981 T985 | N981-R983 PolarHBondContact O-N 3.48Å; R983-T985 PolarHBondContact O-N 2.9Å; R983-T985 PolarHBondContact O-OG1 3.27Å | ||
| 984 | E | 34.9 | Very low | 33.3 | Very low | 195 Ų | 195 | 152.4 Ų | 152.4 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -56.4 | 108.7 | 160.7 | -67.7 | -163.5 | 147.4 | 0 | 0 | 108.9 | P986 | E984-P986 WeakPolarHBondContact O-CD 3.35Š| ||
| 985 | T | 35.2 | Very low | 33.2 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -105.8 | 96 | 175.5 | -53 | 0 | 0 | 0 | 0 | 106 | R983 V987 | R983-T985 PolarHBondContact O-N 2.9Å; R983-T985 PolarHBondContact O-OG1 3.27Å; T985-V987 PolarHBondContact O-N 3.14Å | ||
| 986 | P | 34.9 | Very low | 33.2 | Very low | 111 Ų | 111 | 156.1 Ų | 156.1 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | -66.1 | 111.2 | -168.3 | 24 | -33.7 | 0 | 0 | 0 | 110.8 | E984 K988 | E984-P986 WeakPolarHBondContact O-CD 3.35Å; P986-K988 PolarHBondContact O-N 2.72Å | ||
| 987 | V | 32.7 | Very low | 33.5 | Very low | 136 Ų | 136 | 159.3 Ų | 159.3 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -67.5 | 103.1 | 178 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | T985 L989 | T985-V987 PolarHBondContact O-N 3.14Å; V987-L989 PolarHBondContact O-N 3.05Å; V987-L989 VanDerWaalsContact O-N 3.13Å | ||
| 988 | K | 37.2 | Very low | 33.8 | Very low | 171 Ų | 171 | 161.7 Ų | 161.7 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -69 | 109.4 | -177.3 | -70.8 | -174.6 | 175.6 | -178.4 | 0 | 110.8 | P986 T990 | P986-K988 PolarHBondContact O-N 2.72Å; K988-T990 PolarHBondContact O-N 3.43Å; K988-T990 PolarHBondContact O-OG1 2.8Å | ||
| 989 | L | 31.1 | Very low | 34.1 | Very low | 149 Ų | 149 | 159.2 Ų | 159.2 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -76.2 | 38.8 | -179.2 | -126.3 | 157.5 | 0 | 0 | 0 | 113 | V987 | V987-L989 PolarHBondContact O-N 3.05Å; V987-L989 VanDerWaalsContact O-N 3.13Å | ||
| 990 | T | 34.1 | Very low | 34.2 | Very low | 116 Ų | 116 | 157.1 Ų | 157.1 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 1.1 | -169.6 | 31.6 | 0 | 0 | 0 | 0 | 115.7 | K988 | K988-T990 PolarHBondContact O-N 3.43Å; K988-T990 PolarHBondContact O-OG1 2.8Å |
| 991 | E | 37.5 | Very low | 34.2 | Very low | 184 Ų | 184 | 158.1 Ų | 158.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 0 | -175.2 | -66.9 | -167.6 | 139.5 | 0 | 0 | 115.3 | ||
| 992 | Y | 32.5 | Very low | 34.2 | Very low | 186 Ų | 186 | 156.7 Ų | 156.7 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -109 | 11.2 | -168.7 | -94.5 | -82.6 | 0 | 0 | 0 | 117.6 | ||
| 993 | F | 34.7 | Very low | 34.2 | Very low | 183 Ų | 183 | 155 Ų | 155 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -130.7 | 112 | 170.9 | -69.7 | -71.7 | 0 | 0 | 0 | 111.7 | ||
| 994 | P | 37.3 | Very low | 34.2 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -65.4 | 140.5 | 176.6 | -21.8 | 33.7 | 0 | 0 | 0 | 112.7 | D996 | P994-D996 PolarHBondContact O-N 2.78Š| ||
| 995 | N | 30.8 | Very low | 34.2 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -80.6 | 105.1 | 178.8 | -65.4 | -79.3 | 0 | 0 | 0 | 111 | ||||
| 996 | D | 32.9 | Very low | 34 | Very low | 146 Ų | 146 | 150.9 Ų | 150.9 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -144.3 | 82.5 | 170.1 | -111.5 | -32.8 | 0 | 0 | 0 | 110.4 | P994 | P994-D996 PolarHBondContact O-N 2.78Š| ||
| 997 | H | 36.7 | Very low | 33.7 | Very low | 198 Ų | 198 | 154 Ų | 154 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -165.2 | 84.8 | 154.6 | -104 | 36 | 0 | 0 | 0 | 109.2 | G999 | H997-G999 PolarHBondContact O-N 3.05Š| ||
| 998 | Q | 34.1 | Very low | 33.8 | Very low | 199 Ų | 199 | 153.8 Ų | 153.8 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -72.4 | 118.6 | 179.7 | -169.6 | 170 | 1.8 | 0 | 0 | 110.3 | ||||
| 999 | G | 31.8 | Very low | 33.7 | Very low | 66 Ų | 66 | 153.3 Ų | 153.3 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | -75.8 | 128 | -169 | 0 | 0 | 0 | 0 | 0 | 114.7 | H997 Q1001 | H997-G999 PolarHBondContact O-N 3.05Å; G999-Q1001 PolarHBondContact O-N 3.47Å | ||
| 1000 | N | 34.5 | Very low | 33.7 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -83.3 | 92.4 | 162.5 | -94.7 | -16.6 | 0 | 0 | 0 | 109.9 | T1002 | N1000-T1002 PolarHBondContact O-N 3.4Å; N1000-T1002 VanDerWaalsContact O-N 3.16Å | ||
| 1001 | Q | 33.5 | Very low | 33.6 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -67.3 | 108.6 | 166.6 | -71.8 | -178.1 | -13.8 | 0 | 0 | 109.7 | G999 | G999-Q1001 PolarHBondContact O-N 3.47Š| ||
| 1002 | T | 35.1 | Very low | 33.3 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -116.5 | 108.8 | 166.8 | 31.1 | 0 | 0 | 0 | 0 | 108.4 | N1000 E1004 | N1000-T1002 PolarHBondContact O-N 3.4Å; N1000-T1002 VanDerWaalsContact O-N 3.16Å; T1002-E1004 PolarHBondContact O-N 2.85Å | ||
| 1003 | N | 32.5 | Very low | 33.4 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | -81.7 | 77.7 | -174.2 | -72 | -37.6 | 0 | 0 | 0 | 111.3 | V1005 | N1003-V1005 PolarHBondContact O-N 3.34Š| ||
| 1004 | E | 35.1 | Very low | 33.2 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -84.4 | 93.1 | 166.5 | -66.4 | -158.3 | 150.4 | 0 | 0 | 110.3 | T1002 L1006 | T1002-E1004 PolarHBondContact O-N 2.85Å; E1004-L1006 VanDerWaalsContact C-N 3.33Å; E1004-L1006 PolarHBondContact O-N 3.04Å | ||
| 1005 | V | 34.5 | Very low | 32.9 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -74.2 | 86 | 175.7 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | N1003 H1007 | N1003-V1005 PolarHBondContact O-N 3.34Å; V1005-H1007 PolarHBondContact O-N 3.07Å | ||
| 1006 | L | 29.7 | Very low | 33 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | trans | -74.6 | 90.5 | -176 | -153.2 | 78.4 | 0 | 0 | 0 | 111.4 | E1004 I1008 | E1004-L1006 VanDerWaalsContact C-N 3.33Å; E1004-L1006 PolarHBondContact O-N 3.04Å; L1006-I1008 HydrophobicContact CD2-CD1 4.25Å; L1006-I1008 HydrophobicContact CD2-CG1 4.22Å; L1006-I1008 HydrophobicContact CG-CG1 4.4Å; L1006-I1008 PolarHBondContact O-N 3.36Å | ||
| 1007 | H | 30.4 | Very low | 32.7 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -79.4 | 82 | -177.4 | -161.1 | 27 | 0 | 0 | 0 | 111.3 | V1005 Q1009 | V1005-H1007 PolarHBondContact O-N 3.07Å; H1007-Q1009 PolarHBondContact O-N 3.21Å | ||
| 1008 | I | 34.7 | Very low | 32.4 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 68% | 0.677 | 78% | 0.78 | S | S | * | * | trans | -73.1 | 106.3 | 178.4 | -56.3 | 177 | 0 | 0 | 0 | 109.5 | L1006 | L1006-I1008 HydrophobicContact CD2-CD1 4.25Å; L1006-I1008 HydrophobicContact CD2-CG1 4.22Å; L1006-I1008 HydrophobicContact CG-CG1 4.4Å; L1006-I1008 PolarHBondContact O-N 3.36Å | ||
| 1009 | Q | 33.3 | Very low | 32 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -94.3 | 120.8 | 175.7 | -173.3 | 170.7 | 1 | 0 | 0 | 110.7 | H1007 V1011 | H1007-Q1009 PolarHBondContact O-N 3.21Å; Q1009-V1011 PolarHBondContact O-N 3.08Å | ||
| 1010 | N | 31.1 | Very low | 32.3 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -65.6 | 117.9 | 179.4 | -69.6 | -24.7 | 0 | 0 | 0 | 111.5 | ||||
| 1011 | V | 33.7 | Very low | 32 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | trans | -116.1 | 104.1 | 169.1 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | Q1009 T1013 | Q1009-V1011 PolarHBondContact O-N 3.08Å; V1011-T1013 PolarHBondContact O-N 2.74Å | ||
| 1012 | A | 29.5 | Very low | 31.9 | Very low | 105 Ų | 105 | 138 Ų | 138 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -71.8 | 116.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1013 | T | 35.7 | Very low | 32 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -114.1 | 101.6 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | V1011 L1015 | V1011-T1013 PolarHBondContact O-N 2.74Å; T1013-L1015 HydrophobicContact CG2-CD1 4.12Å; T1013-L1015 PolarHBondContact O-N 3.41Å | ||
| 1014 | T | 29.6 | Very low | 31.7 | Very low | 140 Ų | 140 | 140 Ų | 140 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -73.1 | 119.4 | 170.6 | 29.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1015 | L | 32.5 | Very low | 31.7 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -109.4 | 128.3 | 169.8 | -123.8 | 73 | 0 | 0 | 0 | 109.5 | T1013 | T1013-L1015 HydrophobicContact CG2-CD1 4.12Å; T1013-L1015 PolarHBondContact O-N 3.41Å | ||
| 1016 | P | 32 | Very low | 31.2 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -84.7 | 154.6 | -173 | 33.3 | -35.5 | 0 | 0 | 0 | 113.7 | ||||
| 1017 | L | 26.8 | Very low | 31.2 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -67.2 | 128.8 | 170.4 | 177.5 | 67.2 | 0 | 0 | 0 | 111.2 | T1019 | L1017-T1019 HydrophobicContact CD1-CG2 4.16Å; L1017-T1019 HydrophobicContact CG-CG2 4.36Å | ||
| 1018 | V | 29.9 | Very low | 31.1 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -130.6 | 133.9 | 160 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1019 | T | 27.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -112.9 | 134.6 | 178.9 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | L1017 | L1017-T1019 HydrophobicContact CD1-CG2 4.16Å; L1017-T1019 HydrophobicContact CG-CG2 4.36Å | ||
| 1020 | E | 36.1 | Very low | 30.5 | Very low | 190 Ų | 190 | 138.6 Ų | 138.6 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -148.9 | 159.4 | 160.8 | -120.9 | 159.2 | -134.7 | 0 | 0 | 111.4 | ||||
| 1021 | T | 29.3 | Very low | 30.4 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 157.6 | -147.9 | 41.1 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1022 | P | 32.1 | Very low | 30.5 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 140.8 | 171.8 | 34.2 | -33.7 | 0 | 0 | 0 | 112.4 | ||
| 1023 | E | 36 | Very low | 30.5 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 147 | 163.6 | -70.6 | -164.9 | 143.7 | 0 | 0 | 110.9 | ||
| 1024 | S | 27.4 | Very low | 30.4 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -128.2 | 116.9 | -172.9 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1025 | I | 34 | Very low | 30.5 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 124.1 | 166.1 | -62.6 | -175.7 | 0 | 0 | 0 | 108.7 | ||||
| 1026 | L | 25.2 | Very low | 30.6 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -74.2 | 143.9 | 168.9 | -80 | 65.2 | 0 | 0 | 0 | 109.8 | ||||
| 1027 | Y | 29.5 | Very low | 30.4 | Very low | 230 Ų | 230 | 144 Ų | 144 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -142.6 | 149 | 145.8 | -139.6 | -93.1 | 0 | 0 | 0 | 111.7 | ||||
| 1028 | S | 28.5 | Very low | 30.6 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | trans | -108.6 | 149.2 | -162.9 | -55.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1029 | C | 24.9 | Very low | 30.6 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | 35.6 | 108.2 | 148.7 | -56.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1030 | S | 29.9 | Very low | 30.9 | Very low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | -145.3 | 137.2 | 128.3 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1031 | S | 29.6 | Very low | 30.7 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -71.2 | 140.2 | 168.8 | 44 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1032 | H | 34.1 | Very low | 30.7 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -140.3 | 100.2 | 160.1 | -128.7 | -58.8 | 0 | 0 | 0 | 108.4 | N1034 | H1032-N1034 PolarHBondContact O-N 2.67Š| ||
| 1033 | E | 30 | Very low | 30.9 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -65.9 | 123.8 | 167.9 | -64.3 | 176.1 | 124.5 | 0 | 0 | 108.1 | ||||
| 1034 | N | 33.3 | Very low | 30.8 | Very low | 131 Ų | 131 | 147 Ų | 147 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -133.9 | 88.9 | 168.1 | -100.5 | -26.5 | 0 | 0 | 0 | 107.3 | H1032 N1036 | H1032-N1034 PolarHBondContact O-N 2.67Å; N1034-N1036 PolarHBondContact O-N 2.89Å | ||
| 1035 | S | 33.2 | Very low | 31.1 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -73.7 | 65.3 | -175.9 | 57.1 | 0 | 0 | 0 | 0 | 112.4 | L1037 | S1035-L1037 VanDerWaalsContact C-N 3.3Å; S1035-L1037 PolarHBondContact O-N 2.79Å | ||
| 1036 | N | 32.9 | Very low | 31.2 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -87 | 70.5 | 171.2 | -73.6 | -26 | 0 | 0 | 0 | 110.2 | N1034 T1038 | N1034-N1036 PolarHBondContact O-N 2.89Å; N1036-T1038 VanDerWaalsContact C-N 3.29Å; N1036-T1038 PolarHBondContact O-N 3.42Å | ||
| 1037 | L | 28.5 | Very low | 31.6 | Very low | 170 Ų | 170 | 153.4 Ų | 153.4 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -71.2 | 89.1 | 164.7 | -121.3 | 77.1 | 0 | 0 | 0 | 108.1 | S1035 E1039 | S1035-L1037 VanDerWaalsContact C-N 3.3Å; S1035-L1037 PolarHBondContact O-N 2.79Å; L1037-E1039 PolarHBondContact O-N 3.15Å; L1037-E1039 VanDerWaalsContact O-N 3.07Å | ||
| 1038 | T | 31.6 | Very low | 31.7 | Very low | 107 Ų | 107 | 150.5 Ų | 150.5 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | trans | -72.2 | 103.7 | 179.9 | -52.6 | 0 | 0 | 0 | 0 | 110 | N1036 F1040 | N1036-T1038 VanDerWaalsContact C-N 3.29Å; N1036-T1038 PolarHBondContact O-N 3.42Å; T1038-F1040 PolarHBondContact O-N 3.21Å | ||
| 1039 | E | 30.3 | Very low | 31.9 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -63.8 | 94.3 | -179.1 | -170.3 | 172.7 | -128.4 | 0 | 0 | 111.7 | L1037 N1041 | L1037-E1039 PolarHBondContact O-N 3.15Å; L1037-E1039 VanDerWaalsContact O-N 3.07Å; E1039-N1041 PolarHBondContact O-N 3.11Å; E1039-N1041 PolarHBondContact O-ND2 2.79Å | ||
| 1040 | F | 31.8 | Very low | 32.1 | Very low | 199 Ų | 199 | 156 Ų | 156 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | trans | -72.1 | 89 | 178.9 | -98.1 | -83.5 | 0 | 0 | 0 | 111.1 | T1038 | T1038-F1040 PolarHBondContact O-N 3.21Š| ||
| 1041 | N | 31.8 | Very low | 32 | Very low | 128 Ų | 128 | 159.9 Ų | 159.9 | 68% | 0.684 | 80% | 0.798 | S | S | * | * | trans | -51.1 | 144 | -179.9 | -96.1 | -95.8 | 0 | 0 | 0 | 113.8 | E1039 S1043 | E1039-N1041 PolarHBondContact O-N 3.11Å; E1039-N1041 PolarHBondContact O-ND2 2.79Å; N1041-S1043 PolarHBondContact O-N 2.95Å | ||
| 1042 | E | 30.6 | Very low | 32.2 | Very low | 192 Ų | 192 | 163.5 Ų | 163.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -62.1 | 126.1 | 178.9 | -61.9 | -173.8 | 103.4 | 0 | 0 | 111.6 | ||||
| 1043 | S | 34.9 | Very low | 32.2 | Very low | 108 Ų | 108 | 161.4 Ų | 161.4 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -154.5 | 50.1 | 179 | -80.4 | 0 | 0 | 0 | 0 | 113.1 | N1041 | N1041-S1043 PolarHBondContact O-N 2.95Š| ||
| 1044 | K | 35.2 | Very low | 32.4 | Very low | 190 Ų | 190 | 156.2 Ų | 156.2 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -128.3 | 72.3 | 168.5 | -84.1 | -179.6 | 179.4 | 161.7 | 0 | 112.2 | K1046 | K1044-K1046 PolarHBondContact O-N 3.31Š| ||
| 1045 | T | 32.9 | Very low | 32.3 | Very low | 143 Ų | 143 | 160.1 Ų | 160.1 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -65 | 59.9 | 168.1 | -39.3 | 0 | 0 | 0 | 0 | 112 | R1047 | T1045-R1047 PolarHBondContact O-N 3.44Å; T1045-R1047 VanDerWaalsContact O-N 3.14Å | ||
| 1046 | K | 36.3 | Very low | 32.5 | Very low | 182 Ų | 182 | 159.6 Ų | 159.6 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -68.2 | 110.7 | 173.6 | -84.8 | -169.4 | 171.8 | -174.7 | 0 | 108.5 | K1044 L1048 | K1044-K1046 PolarHBondContact O-N 3.31Å; K1046-L1048 VanDerWaalsContact C-N 3.3Å; K1046-L1048 PolarHBondContact O-N 2.96Å | ||
| 1047 | R | 33.2 | Very low | 32.6 | Very low | 239 Ų | 239 | 159.1 Ų | 159.1 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -57.9 | 87.4 | 170.2 | -74 | 174.9 | 165.1 | 172.2 | -6.2 | 110.7 | T1045 K1049 | T1045-R1047 PolarHBondContact O-N 3.44Å; T1045-R1047 VanDerWaalsContact O-N 3.14Å; R1047-K1049 PolarHBondContact O-N 2.96Å | ||
| 1048 | L | 32.5 | Very low | 32.9 | Very low | 169 Ų | 169 | 158.9 Ų | 158.9 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -66.2 | 102.2 | 158.6 | -83.1 | 165.5 | 0 | 0 | 0 | 107.1 | K1046 L1050 | K1046-L1048 VanDerWaalsContact C-N 3.3Å; K1046-L1048 PolarHBondContact O-N 2.96Å; L1048-L1050 PolarHBondContact O-N 2.95Å | ||
| 1049 | K | 32.4 | Very low | 32.9 | Very low | 175 Ų | 175 | 158.2 Ų | 158.2 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -63.1 | 105.9 | 168.1 | -73.4 | -176.7 | 177.1 | 179.8 | 0 | 106.9 | R1047 Y1051 | R1047-K1049 PolarHBondContact O-N 2.96Å; K1049-Y1051 WeakPolarHBondContact O-CD2 3.32Å; K1049-Y1051 PolarHBondContact O-N 3.43Å | ||
| 1050 | L | 29.1 | Very low | 32.9 | Very low | 157 Ų | 157 | 155.3 Ų | 155.3 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -60.4 | 104.1 | 169.9 | -177.9 | 68.7 | 0 | 0 | 0 | 107.6 | L1048 Q1052 | L1048-L1050 PolarHBondContact O-N 2.95Å; L1050-Q1052 PolarHBondContact O-N 3.06Å | ||
| 1051 | Y | 28.6 | Very low | 33 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -65.7 | 105.9 | 170.9 | -85.5 | -97.9 | 0 | 0 | 0 | 107.4 | K1049 V1053 | K1049-Y1051 WeakPolarHBondContact O-CD2 3.32Å; K1049-Y1051 PolarHBondContact O-N 3.43Å; Y1051-V1053 PolarHBondContact O-N 2.78Å | ||
| 1052 | Q | 33.3 | Very low | 33.1 | Very low | 183 Ų | 183 | 151 Ų | 151 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -65.4 | 84.5 | 163.5 | -73.6 | -177.7 | -21.3 | 0 | 0 | 107.7 | L1050 G1054 | L1050-Q1052 PolarHBondContact O-N 3.06Å; Q1052-G1054 PolarHBondContact O-N 2.86Å | ||
| 1053 | V | 33.4 | Very low | 33.3 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | -63.7 | 97.3 | 163.5 | 176.8 | 0 | 0 | 0 | 0 | 105.5 | Y1051 R1055 | Y1051-V1053 PolarHBondContact O-N 2.78Å; V1053-R1055 PolarHBondContact O-N 3.42Å | ||
| 1054 | G | 33.9 | Very low | 33.3 | Very low | 73 Ų | 73 | 150.1 Ų | 150.1 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -67.7 | 73.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q1052 S1056 | Q1052-G1054 PolarHBondContact O-N 2.86Å; G1054-S1056 PolarHBondContact O-N 2.89Å | ||
| 1055 | R | 33 | Very low | 33.3 | Very low | 212 Ų | 212 | 149 Ų | 149 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -63.6 | 89.2 | 156.9 | -97.7 | -167.2 | 174.7 | -173.7 | -0.7 | 106.8 | V1053 N1057 | V1053-R1055 PolarHBondContact O-N 3.42Å; R1055-N1057 PolarHBondContact O-N 2.96Å | ||
| 1056 | S | 36.1 | Very low | 33.2 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -57.1 | 85.6 | 150.3 | -175.7 | 0 | 0 | 0 | 0 | 106.2 | G1054 Q1058 | G1054-S1056 PolarHBondContact O-N 2.89Å; S1056-Q1058 PolarHBondContact O-N 3.25Å | ||
| 1057 | N | 36.3 | Very low | 33.1 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | -66.3 | 87.7 | 165.2 | -75.8 | -12.1 | 0 | 0 | 0 | 105.2 | R1055 S1059 | R1055-N1057 PolarHBondContact O-N 2.96Å; N1057-S1059 PolarHBondContact O-N 3.08Å | ||
| 1058 | Q | 33.6 | Very low | 33.2 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | trans | -58.9 | 82 | 149.6 | -73.3 | -175.8 | -13.8 | 0 | 0 | 106 | S1056 T1060 | S1056-Q1058 PolarHBondContact O-N 3.25Å; Q1058-T1060 PolarHBondContact O-N 3.39Å | ||
| 1059 | S | 32.8 | Very low | 33.2 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | trans | -65 | 86.6 | 158.3 | -173.3 | 0 | 0 | 0 | 0 | 104.5 | N1057 V1061 | N1057-S1059 PolarHBondContact O-N 3.08Å; S1059-V1061 PolarHBondContact O-N 3.42Å | ||
| 1060 | T | 29.8 | Very low | 33.3 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | -64.3 | 84.1 | 161.4 | -54.8 | 0 | 0 | 0 | 0 | 104.8 | Q1058 I1062 | Q1058-T1060 PolarHBondContact O-N 3.39Å; T1060-I1062 HydrophobicContact CG2-CG1 3.82Å; T1060-I1062 PolarHBondContact O-N 3.05Å | ||
| 1061 | V | 34 | Very low | 33.4 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | trans | -62.3 | 91.1 | 165.5 | 178.4 | 0 | 0 | 0 | 0 | 104.3 | S1059 S1063 | S1059-V1061 PolarHBondContact O-N 3.42Å; V1061-S1063 PolarHBondContact O-N 3.25Å | ||
| 1062 | I | 34.1 | Very low | 33.5 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | -69.8 | 87.4 | 171.7 | -58.4 | -179 | 0 | 0 | 0 | 104.7 | T1060 K1064 | T1060-I1062 HydrophobicContact CG2-CG1 3.82Å; T1060-I1062 PolarHBondContact O-N 3.05Å; I1062-K1064 HydrophobicContact CG2-CG 4.22Å; I1062-K1064 PolarHBondContact O-N 3.3Å | ||
| 1063 | S | 34.3 | Very low | 33.2 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | trans | -64.2 | 76.6 | 171.4 | -60.7 | 0 | 0 | 0 | 0 | 108.4 | V1061 K1065 | V1061-S1063 PolarHBondContact O-N 3.25Å; S1063-K1065 PolarHBondContact O-N 2.99Å | ||
| 1064 | K | 35.4 | Very low | 33.1 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | trans | -66.2 | 84.5 | 164.5 | -93.9 | -163.8 | 171.5 | -170 | 0 | 107.1 | I1062 G1066 | I1062-K1064 HydrophobicContact CG2-CG 4.22Å; I1062-K1064 PolarHBondContact O-N 3.3Å; K1064-G1066 VanDerWaalsContact C-N 3.26Å; K1064-G1066 PolarHBondContact O-N 3.01Å | ||
| 1065 | K | 34 | Very low | 33.1 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | -58.1 | 88.2 | 170.6 | -173.2 | -171.1 | 179.8 | -140.4 | 0 | 108.3 | S1063 D1067 | S1063-K1065 PolarHBondContact O-N 2.99Å; K1065-D1067 WeakPolarHBondContact CE-OD1 3.48Å; K1065-D1067 IonicContact NZ-OD1 2.76Å; K1065-D1067 IonicContact NZ-OD2 2.64Å; K1065-D1067 PolarHBondContact NZ-OD2 2.74Å | ||
| 1066 | G | 31.5 | Very low | 32.9 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -87.7 | 98.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | K1064 H1068 | K1064-G1066 VanDerWaalsContact C-N 3.26Å; K1064-G1066 PolarHBondContact O-N 3.01Å; G1066-H1068 VanDerWaalsContact C-N 3.34Å; G1066-H1068 PolarHBondContact O-N 3.08Å | ||
| 1067 | D | 33.4 | Very low | 32.6 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | trans | -73 | 88.2 | -178.2 | -67.4 | -48.5 | 0 | 0 | 0 | 109.5 | K1065 | K1065-D1067 WeakPolarHBondContact CE-OD1 3.48Å; K1065-D1067 IonicContact NZ-OD1 2.76Å; K1065-D1067 IonicContact NZ-OD2 2.64Å; K1065-D1067 PolarHBondContact NZ-OD2 2.74Å | ||
| 1068 | H | 36.1 | Very low | 32.4 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | trans | -104.5 | 99.8 | 164 | -89 | 3 | 0 | 0 | 0 | 109.6 | G1066 Y1070 | G1066-H1068 VanDerWaalsContact C-N 3.34Å; G1066-H1068 PolarHBondContact O-N 3.08Å; H1068-Y1070 PolarHBondContact O-N 3.1Å | ||
| 1069 | E | 32.8 | Very low | 32.2 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | -62.8 | 95.9 | 171.6 | -61.7 | -178.4 | 135 | 0 | 0 | 109.6 | C1071 | E1069-C1071 PolarHBondContact O-N 3.47Š| ||
| 1070 | Y | 33.8 | Very low | 32.3 | Very low | 219 Ų | 219 | 132.2 Ų | 132.2 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | trans | -67.4 | 72.4 | 152 | -99 | -90.8 | 0 | 0 | 0 | 108.2 | H1068 S1072 | H1068-Y1070 PolarHBondContact O-N 3.1Å; Y1070-S1072 PolarHBondContact O-N 3.06Å; Y1070-S1072 PolarHBondContact O-OG 3.11Å | ||
| 1071 | C | 32.1 | Very low | 32.5 | Very low | 108 Ų | 108 | 134 Ų | 134 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | trans | -56.4 | 108.2 | 175 | -174.4 | 0 | 0 | 0 | 0 | 107.3 | E1069 C1073 | E1069-C1071 PolarHBondContact O-N 3.47Å; C1071-C1073 PolarHBondContact O-N 3.47Å | ||
| 1072 | S | 29.7 | Very low | 32.6 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | -74.8 | 101.6 | -167.1 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | Y1070 S1074 | Y1070-S1072 PolarHBondContact O-N 3.06Å; Y1070-S1072 PolarHBondContact O-OG 3.11Å; S1072-S1074 PolarHBondContact O-N 3.09Å; S1072-S1074 PolarHBondContact O-OG 2.92Å | ||
| 1073 | C | 28.4 | Very low | 32.7 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -64.6 | 89.2 | 169.8 | -77.7 | 0 | 0 | 0 | 0 | 109.5 | C1071 I1075 | C1071-C1073 PolarHBondContact O-N 3.47Å; C1073-I1075 PolarHBondContact O-N 3.39Å | ||
| 1074 | S | 30.1 | Very low | 32.7 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -66.2 | 74.5 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | S1072 | S1072-S1074 PolarHBondContact O-N 3.09Å; S1072-S1074 PolarHBondContact O-OG 2.92Å | ||
| 1075 | I | 34.6 | Very low | 32.6 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | -72 | 134.7 | 161 | -62.8 | -178.6 | 0 | 0 | 0 | 107 | C1073 | C1073-I1075 PolarHBondContact O-N 3.39Š| ||
| 1076 | P | 29.2 | Very low | 32.6 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | trans | -66 | 155.3 | -165.3 | -23.3 | 34.9 | 0 | 0 | 0 | 114.4 | E1078 | P1076-E1078 PolarHBondContact O-N 3.44Š| ||
| 1077 | S | 29.2 | Very low | 32.8 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -70.4 | 87.8 | 169.2 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | T1079 | S1077-T1079 PolarHBondContact O-N 2.97Š| ||
| 1078 | E | 31.6 | Very low | 33 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -76.4 | 108.6 | 154.4 | -67.9 | -156.6 | 148.2 | 0 | 0 | 108.4 | P1076 | P1076-E1078 PolarHBondContact O-N 3.44Š| ||
| 1079 | T | 28.9 | Very low | 33 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 59% | 0.589 | 75% | 0.748 | S | S | * | * | trans | -72.6 | 135.3 | -176 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | S1077 N1081 | S1077-T1079 PolarHBondContact O-N 2.97Å; T1079-N1081 VanDerWaalsContact C-N 3.3Å; T1079-N1081 PolarHBondContact O-N 2.98Å | ||
| 1080 | P | 35.7 | Very low | 33 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | -73.9 | 83.1 | -178.5 | 30.3 | -35.4 | 0 | 0 | 0 | 111.1 | ||||
| 1081 | N | 34.1 | Very low | 33.1 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | -102.8 | 63.2 | 170.8 | -84.3 | -27.3 | 0 | 0 | 0 | 110.6 | T1079 | T1079-N1081 VanDerWaalsContact C-N 3.3Å; T1079-N1081 PolarHBondContact O-N 2.98Å | ||
| 1082 | D | 36.3 | Very low | 33.3 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | -148.2 | 101.8 | 150 | -121.6 | -21.1 | 0 | 0 | 0 | 111.1 | F1084 | D1082-F1084 HydrophobicContact CB-CD2 4.22Å; D1082-F1084 PolarHBondContact O-N 3.4Å | ||
| 1083 | S | 35 | Very low | 33.4 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -78.3 | 75 | 176.7 | 175.1 | 0 | 0 | 0 | 0 | 109.2 | D1085 | S1083-D1085 PolarHBondContact O-N 3.48Š| ||
| 1084 | F | 36 | Very low | 34 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | trans | -68.6 | 84.4 | 170.9 | -100.3 | -86.5 | 0 | 0 | 0 | 110.5 | D1082 L1086 | D1082-F1084 HydrophobicContact CB-CD2 4.22Å; D1082-F1084 PolarHBondContact O-N 3.4Å; F1084-L1086 PolarHBondContact O-N 3.31Å | ||
| 1085 | D | 31.6 | Very low | 34.3 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | -50.4 | 123.2 | -179.4 | -153.5 | 10 | 0 | 0 | 0 | 109.9 | S1083 R1087 | S1083-D1085 PolarHBondContact O-N 3.48Å; D1085-R1087 PolarHBondContact O-N 3.27Å | ||
| 1086 | L | 35.2 | Very low | 34.2 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | -74.8 | 63.2 | -173.1 | -165.9 | 78.9 | 0 | 0 | 0 | 110.8 | F1084 I1088 | F1084-L1086 PolarHBondContact O-N 3.31Å; L1086-I1088 VanDerWaalsContact C-N 3.27Å; L1086-I1088 HydrophobicContact CD2-CD1 4.14Å; L1086-I1088 HydrophobicContact CG-CD1 4.45Å; L1086-I1088 HydrophobicContact CG-CG1 4.3Å; L1086-I1088 PolarHBondContact O-N 3.12Å | ||
| 1087 | R | 35.5 | Very low | 34.4 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -75.8 | 80.7 | -176.2 | -170 | 174.8 | -67.6 | -158.8 | -0 | 110.3 | D1085 C1089 | D1085-R1087 PolarHBondContact O-N 3.27Å; R1087-C1089 PolarHBondContact O-N 3.01Å | ||
| 1088 | I | 37.3 | Very low | 34.6 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 62% | 0.621 | 76% | 0.757 | S | S | * | * | trans | -63.8 | 86.5 | 169.5 | -60.3 | 166.1 | 0 | 0 | 0 | 108.2 | L1086 N1090 | L1086-I1088 VanDerWaalsContact C-N 3.27Å; L1086-I1088 HydrophobicContact CD2-CD1 4.14Å; L1086-I1088 HydrophobicContact CG-CD1 4.45Å; L1086-I1088 HydrophobicContact CG-CG1 4.3Å; L1086-I1088 PolarHBondContact O-N 3.12Å; I1088-N1090 PolarHBondContact O-N 2.85Å | ||
| 1089 | C | 35.8 | Very low | 34.7 | Very low | 88 Ų | 88 | 142 Ų | 142 | 60% | 0.595 | 76% | 0.76 | S | S | * | * | trans | -68.3 | 98.9 | 170.5 | -77.8 | 0 | 0 | 0 | 0 | 108.7 | R1087 T1091 | R1087-C1089 PolarHBondContact O-N 3.01Å; C1089-T1091 PolarHBondContact O-N 2.93Å; C1089-T1091 PolarHBondContact O-OG1 2.87Å | ||
| 1090 | N | 33 | Very low | 34.9 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -66.8 | 63.9 | 168 | -80.7 | -56.1 | 0 | 0 | 0 | 110.9 | I1088 R1092 | I1088-N1090 PolarHBondContact O-N 2.85Å; N1090-R1092 PolarHBondContact O-N 2.92Å | ||
| 1091 | T | 36.5 | Very low | 34.9 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | trans | -73.6 | 111.2 | 176.7 | -38 | 0 | 0 | 0 | 0 | 107.8 | C1089 | C1089-T1091 PolarHBondContact O-N 2.93Å; C1089-T1091 PolarHBondContact O-OG1 2.87Å | ||
| 1092 | R | 36.1 | Very low | 34.9 | Very low | 225 Ų | 225 | 139.7 Ų | 139.7 | 85% | 0.849 | 77% | 0.768 | S | S | * | * | trans | -65.9 | 144.7 | -169.5 | -73 | 178.2 | 173.1 | 165.7 | -3 | 112.2 | N1090 S1094 | N1090-R1092 PolarHBondContact O-N 2.92Å; R1092-S1094 PolarHBondContact O-N 2.69Å | ||
| 1093 | Q | 32.2 | Very low | 34.9 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | -77.4 | 86.5 | 179.7 | -170.9 | 171.5 | 4.4 | 0 | 0 | 110.7 | ||||
| 1094 | S | 40 | Very low | 34.9 | Very low | 85 Ų | 85 | 144.9 Ų | 144.9 | 59% | 0.594 | 78% | 0.778 | S | S | * | * | trans | -143.6 | 156.2 | 171.8 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | R1092 | R1092-S1094 PolarHBondContact O-N 2.69Š| ||
| 1095 | D | 36.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 67.5 | 47.2 | 167.1 | -48.6 | -31.8 | 0 | 0 | 0 | 117.4 | N1097 | D1095-N1097 PolarHBondContact O-N 2.76Š| ||
| 1096 | I | 33.1 | Very low | 35.2 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | trans | -68.6 | 83.6 | 148.7 | -55.8 | 173.8 | 0 | 0 | 0 | 108.1 | ||||
| 1097 | N | 33.9 | Very low | 35.4 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -172.5 | 147.3 | 157.6 | -98.4 | -40.4 | 0 | 0 | 0 | 111.7 | D1095 | D1095-N1097 PolarHBondContact O-N 2.76Š| ||
| 1098 | T | 33.3 | Very low | 35.9 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | trans | 73 | 64 | 171.4 | -32.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1099 | C | 33.6 | Very low | 36.3 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -146.7 | 88.2 | 146.3 | -133.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1100 | S | 33.5 | Very low | 37 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -94.7 | 138.6 | 177.2 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1101 | S | 34.1 | Very low | 37.7 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 78.6 | 154.6 | 167.7 | -154.8 | 0 | 0 | 0 | 0 | 117.7 | ||
| 1102 | A | 34 | Very low | 38.3 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 63.6 | 58.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1103 | H | 37.2 | Very low | 39.1 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 89% | 0.889 | 77% | 0.77 | S | S | * | * | -172.4 | 92.6 | 117.9 | -104.4 | -75 | 0 | 0 | 0 | 110.8 | |||||
| 1104 | I | 34.2 | Very low | 40.2 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -121.2 | 102.2 | 168.3 | -59.8 | 172 | 0 | 0 | 0 | 106.1 | ||||
| 1105 | Y | 35.2 | Very low | 41 | Very low | 216 Ų | 216 | 130.3 Ų | 130.3 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | trans | -172.4 | 143.7 | 152.2 | -93.5 | -63.6 | 0 | 0 | 0 | 108.8 | ||||
| 1106 | D | 40 | Very low | 42.4 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 59 | 64 | 159 | -53.8 | -6.9 | 0 | 0 | 0 | 119.9 | ||
| 1107 | T | 39.4 | Very low | 44.1 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 77% | 0.767 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -156.2 | 0.4 | 144.2 | -14.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1108 | S | 45.8 | Very low | 46 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -82.2 | -23.1 | -164.4 | 44.1 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1109 | E | 46 | Very low | 48.1 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.6 | -37.7 | -175.3 | -67 | -169.9 | 140 | 0 | 0 | 113.4 | F1111 L1112 L1113 | E1109-F1111 VanDerWaalsContact C-N 3.27Å; E1109-F1111 PolarHBondContact O-N 3.13Å; E1109-L1112 PolarHBondContact O-N 3.47Å; E1109-L1113 PolarHBondContact O-N 3.11Å |
| 1110 | A | 49.6 | Very low | 50.3 | Low | 84 Ų | 84 | 119.1 Ų | 119.1 | 69% | 0.694 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -62 | -32.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1111 | F | 47.4 | Very low | 52.4 | Low | 157 Ų | 157 | 115.8 Ų | 115.8 | 69% | 0.689 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -82.6 | -36.3 | -179.3 | -153.9 | -91.5 | 0 | 0 | 0 | 112.7 | E1109 L1113 T1115 | E1109-F1111 VanDerWaalsContact C-N 3.27Å; E1109-F1111 PolarHBondContact O-N 3.13Å; F1111-L1113 VanDerWaalsContact C-N 3.34Å; F1111-L1113 PolarHBondContact O-N 3.47Å; F1111-T1115 HydrophobicContact CD1-CG2 4.3Å; F1111-T1115 HydrophobicContact CE1-CG2 4.17Å; F1111-T1115 PolarHBondContact O-N 3.28Å |
| 1112 | L | 49 | Very low | 54.5 | Low | 117 Ų | 117 | 114.1 Ų | 114.1 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66 | -37.5 | 178.3 | -70.8 | 176.1 | 0 | 0 | 0 | 111.9 | E1109 T1115 F1116 | E1109-L1112 PolarHBondContact O-N 3.47Å; L1112-T1115 PolarHBondContact O-N 3.21Å; L1112-T1115 PolarHBondContact O-OG1 2.85Å; L1112-F1116 PolarHBondContact O-N 2.92Å; L1112-F1116 VanDerWaalsContact O-N 3.1Å |
| 1113 | L | 53.3 | Low | 57 | Low | 117 Ų | 117 | 115.8 Ų | 115.8 | 61% | 0.613 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.2 | -44.5 | -179.8 | -154.2 | 69.4 | 0 | 0 | 0 | 112 | E1109 F1111 T1115 F1116 D1117 | E1109-L1113 PolarHBondContact O-N 3.11Å; F1111-L1113 VanDerWaalsContact C-N 3.34Å; F1111-L1113 PolarHBondContact O-N 3.47Å; L1113-T1115 PolarHBondContact O-N 3.06Å; L1113-F1116 PolarHBondContact O-N 2.97Å; L1113-F1116 VanDerWaalsContact O-N 3.13Å; L1113-D1117 PolarHBondContact O-N 3.15Å |
| 1114 | S | 54.5 | Low | 59.2 | Low | 61 Ų | 61 | 113.7 Ų | 113.7 | 43% | 0.427 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -54.9 | -51.2 | 174.5 | -159.2 | 0 | 0 | 0 | 0 | 111.5 | F1116 D1117 E1118 | S1114-F1116 PolarHBondContact O-N 2.88Å; S1114-D1117 PolarHBondContact O-N 2.91Å; S1114-E1118 WeakPolarHBondContact CB-OE1 3.5Å; S1114-E1118 WeakPolarHBondContact O-CB 3.34Å; S1114-E1118 VanDerWaalsContact O-CG 3.24Å; S1114-E1118 WeakPolarHBondContact O-CG 3.26Å; S1114-E1118 PolarHBondContact O-N 3.42Å; S1114-E1118 PolarHBondContact OG-OE1 2.99Å |
| 1115 | T | 57.2 | Low | 61.7 | Low | 57 Ų | 57 | 112 Ų | 112 | 35% | 0.35 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.8 | -26.4 | -179.3 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | F1111 L1112 L1113 L1119 | F1111-T1115 HydrophobicContact CD1-CG2 4.3Å; F1111-T1115 HydrophobicContact CE1-CG2 4.17Å; F1111-T1115 PolarHBondContact O-N 3.28Å; L1112-T1115 PolarHBondContact O-N 3.21Å; L1112-T1115 PolarHBondContact O-OG1 2.85Å; L1113-T1115 PolarHBondContact O-N 3.06Å; T1115-L1119 VanDerWaalsContact O-CB 3.24Å; T1115-L1119 WeakPolarHBondContact O-CB 3.42Å; T1115-L1119 PolarHBondContact O-N 2.84Å; T1115-L1119 VanDerWaalsContact O-N 3.11Å |
| 1116 | F | 66.1 | Low | 64.2 | Low | 128 Ų | 128 | 107.5 Ų | 107.5 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -79.2 | -39.6 | 177.8 | -158.5 | -102.8 | 0 | 0 | 0 | 111.9 | L1112 L1113 S1114 N1120 | L1112-F1116 PolarHBondContact O-N 2.92Å; L1112-F1116 VanDerWaalsContact O-N 3.1Å; L1113-F1116 PolarHBondContact O-N 2.97Å; L1113-F1116 VanDerWaalsContact O-N 3.13Å; S1114-F1116 PolarHBondContact O-N 2.88Å; F1116-N1120 WeakPolarHBondContact CD1-ND2 3.44Å; F1116-N1120 WeakPolarHBondContact CE1-ND2 3.47Å; F1116-N1120 WeakPolarHBondContact O-CB 3.37Å; F1116-N1120 PolarHBondContact O-N 2.85Å; F1116-N1120 PolarHBondContact O-ND2 3.15Å |
| 1117 | D | 69.7 | Low | 66.6 | Low | 95 Ų | 95 | 104.5 Ų | 104.5 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.8 | -39.8 | 174.6 | -77 | -32.5 | 0 | 0 | 0 | 112.1 | L1113 S1114 N1120 C1121 | L1113-D1117 PolarHBondContact O-N 3.15Å; S1114-D1117 PolarHBondContact O-N 2.91Å; D1117-N1120 PolarHBondContact O-N 2.96Å; D1117-C1121 WeakPolarHBondContact O-CB 3.49Å; D1117-C1121 PolarHBondContact O-N 3.44Å |
| 1118 | E | 72.4 | Confident | 69 | Low | 106 Ų | 106 | 101.3 Ų | 101.3 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.9 | -50.7 | 170.5 | -73.2 | 159.8 | -139.7 | 0 | 0 | 111.3 | S1114 N1120 C1121 V1122 | S1114-E1118 WeakPolarHBondContact CB-OE1 3.5Å; S1114-E1118 WeakPolarHBondContact O-CB 3.34Å; S1114-E1118 VanDerWaalsContact O-CG 3.24Å; S1114-E1118 WeakPolarHBondContact O-CG 3.26Å; S1114-E1118 PolarHBondContact O-N 3.42Å; S1114-E1118 PolarHBondContact OG-OE1 2.99Å; E1118-N1120 VanDerWaalsContact C-N 3.35Å; E1118-N1120 PolarHBondContact O-N 3.43Å; E1118-C1121 WeakPolarHBondContact O-CB 3.48Å; E1118-C1121 PolarHBondContact O-N 2.99Å; E1118-C1121 VanDerWaalsContact O-N 3.09Å; E1118-V1122 PolarHBondContact O-N 3.33Å |
| 1119 | L | 78.3 | Confident | 71.1 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62 | -41 | 178.9 | -174.9 | 67.9 | 0 | 0 | 0 | 111.9 | T1115 C1121 K1123 | T1115-L1119 VanDerWaalsContact O-CB 3.24Å; T1115-L1119 WeakPolarHBondContact O-CB 3.42Å; T1115-L1119 PolarHBondContact O-N 2.84Å; T1115-L1119 VanDerWaalsContact O-N 3.11Å; L1119-C1121 VanDerWaalsContact C-N 3.31Å; L1119-K1123 WeakPolarHBondContact O-CB 3.45Å; L1119-K1123 PolarHBondContact O-N 3.27Å |
| 1120 | N | 79.1 | Confident | 73.3 | Confident | 55 Ų | 55 | 97.4 Ų | 97.4 | 29% | 0.294 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.2 | -28.3 | 175.2 | -76.4 | -51.6 | 0 | 0 | 0 | 112.7 | F1116 D1117 E1118 R1124 | F1116-N1120 WeakPolarHBondContact CD1-ND2 3.44Å; F1116-N1120 WeakPolarHBondContact CE1-ND2 3.47Å; F1116-N1120 WeakPolarHBondContact O-CB 3.37Å; F1116-N1120 PolarHBondContact O-N 2.85Å; F1116-N1120 PolarHBondContact O-ND2 3.15Å; D1117-N1120 PolarHBondContact O-N 2.96Å; E1118-N1120 VanDerWaalsContact C-N 3.35Å; E1118-N1120 PolarHBondContact O-N 3.43Å; N1120-R1124 PolarHBondContact O-N 2.72Å; N1120-R1124 VanDerWaalsContact O-N 3.12Å; N1120-R1124 PolarHBondContact O-NE 3.06Å |
| 1121 | C | 78.9 | Confident | 75.3 | Confident | 47 Ų | 47 | 99.6 Ų | 99.6 | 32% | 0.318 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.3 | -55.4 | 174 | -149.7 | 0 | 0 | 0 | 0 | 111.1 | D1117 E1118 L1119 K1123 R1124 E1125 | D1117-C1121 WeakPolarHBondContact O-CB 3.49Å; D1117-C1121 PolarHBondContact O-N 3.44Å; E1118-C1121 WeakPolarHBondContact O-CB 3.48Å; E1118-C1121 PolarHBondContact O-N 2.99Å; E1118-C1121 VanDerWaalsContact O-N 3.09Å; L1119-C1121 VanDerWaalsContact C-N 3.31Å; C1121-K1123 PolarHBondContact O-N 2.77Å; C1121-R1124 WeakPolarHBondContact O-CB 3.36Å; C1121-R1124 PolarHBondContact O-N 3.35Å; C1121-R1124 PolarHBondContact SG-NH1 2.95Å; C1121-E1125 WeakPolarHBondContact O-CG 3.35Å; C1121-E1125 PolarHBondContact O-N 3.06Å |
| 1122 | V | 78.4 | Confident | 77.4 | Confident | 89 Ų | 89 | 97.8 Ų | 97.8 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.5 | -35.8 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | E1118 E1125 R1126 | E1118-V1122 PolarHBondContact O-N 3.33Å; V1122-E1125 PolarHBondContact O-N 3.29Å; V1122-R1126 VanDerWaalsContact O-CB 3.3Å; V1122-R1126 WeakPolarHBondContact O-CB 3.49Å; V1122-R1126 PolarHBondContact O-N 3.44Å |
| 1123 | K | 86 | Confident | 79.5 | Confident | 119 Ų | 119 | 95.3 Ų | 95.3 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 176 | -167.4 | 175.9 | -178.4 | -177.9 | 0 | 112.3 | L1119 C1121 R1126 D1127 | L1119-K1123 WeakPolarHBondContact O-CB 3.45Å; L1119-K1123 PolarHBondContact O-N 3.27Å; C1121-K1123 PolarHBondContact O-N 2.77Å; K1123-R1126 VanDerWaalsContact CG-NH2 3.33Å; K1123-R1126 PolarHBondContact O-N 2.8Å; K1123-R1126 PolarHBondContact O-NH2 3.16Å; K1123-R1126 VanDerWaalsContact O-NH2 3.15Å; K1123-D1127 PolarHBondContact O-N 2.84Å; K1123-D1127 VanDerWaalsContact O-OD2 3.09Å |
| 1124 | R | 83.4 | Confident | 81.4 | Confident | 147 Ų | 147 | 92.9 Ų | 92.9 | 56% | 0.555 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63 | -43.8 | 174.4 | -86.5 | -178.5 | -85.5 | 101.8 | -2.2 | 112.3 | N1120 C1121 R1126 D1127 S1128 | N1120-R1124 PolarHBondContact O-N 2.72Å; N1120-R1124 VanDerWaalsContact O-N 3.12Å; N1120-R1124 PolarHBondContact O-NE 3.06Å; C1121-R1124 WeakPolarHBondContact O-CB 3.36Å; C1121-R1124 PolarHBondContact O-N 3.35Å; C1121-R1124 PolarHBondContact SG-NH1 2.95Å; R1124-R1126 VanDerWaalsContact C-N 3.33Å; R1124-R1126 PolarHBondContact O-N 2.78Å; R1124-D1127 PolarHBondContact O-N 3.08Å; R1124-S1128 WeakPolarHBondContact O-CB 3.36Å; R1124-S1128 PolarHBondContact O-N 3.13Å |
| 1125 | E | 85.8 | Confident | 83.2 | Confident | 122 Ų | 122 | 93.7 Ų | 93.7 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.1 | -43.2 | 175.6 | -70 | 175.7 | 162.2 | 0 | 0 | 111.4 | C1121 V1122 S1128 L1129 | C1121-E1125 WeakPolarHBondContact O-CG 3.35Å; C1121-E1125 PolarHBondContact O-N 3.06Å; V1122-E1125 PolarHBondContact O-N 3.29Å; E1125-S1128 PolarHBondContact O-N 2.95Å; E1125-L1129 VanDerWaalsContact O-CB 3.25Å; E1125-L1129 WeakPolarHBondContact O-CB 3.44Å; E1125-L1129 PolarHBondContact O-N 3.21Å |
| 1126 | R | 88 | Confident | 84.9 | Confident | 122 Ų | 122 | 96.8 Ų | 96.8 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.3 | -34.6 | 178 | -175.3 | -81.4 | -46.7 | 145.6 | 27 | 113 | V1122 K1123 R1124 S1130 | V1122-R1126 VanDerWaalsContact O-CB 3.3Å; V1122-R1126 WeakPolarHBondContact O-CB 3.49Å; V1122-R1126 PolarHBondContact O-N 3.44Å; K1123-R1126 VanDerWaalsContact CG-NH2 3.33Å; K1123-R1126 PolarHBondContact O-N 2.8Å; K1123-R1126 PolarHBondContact O-NH2 3.16Å; K1123-R1126 VanDerWaalsContact O-NH2 3.15Å; R1124-R1126 VanDerWaalsContact C-N 3.33Å; R1124-R1126 PolarHBondContact O-N 2.78Å; R1126-S1130 WeakPolarHBondContact O-CB 3.44Å; R1126-S1130 PolarHBondContact O-N 3.45Å; R1126-S1130 VanDerWaalsContact O-N 3.11Å |
| 1127 | D | 89.5 | Confident | 86.2 | Confident | 77 Ų | 77 | 96.9 Ų | 96.9 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -48.6 | 170.7 | -76.1 | -47.4 | 0 | 0 | 0 | 111.2 | K1123 R1124 L1129 S1130 E1131 | K1123-D1127 PolarHBondContact O-N 2.84Å; K1123-D1127 VanDerWaalsContact O-OD2 3.09Å; R1124-D1127 PolarHBondContact O-N 3.08Å; D1127-L1129 PolarHBondContact O-N 3.5Å; D1127-S1130 WeakPolarHBondContact O-CB 3.28Å; D1127-S1130 PolarHBondContact O-N 3.31Å; D1127-S1130 VanDerWaalsContact O-N 3.1Å; D1127-E1131 PolarHBondContact O-N 3.24Å |
| 1128 | S | 90.8 | Very high | 87.4 | Confident | 58 Ų | 58 | 96.6 Ų | 96.6 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 178 | 179.4 | 0 | 0 | 0 | 0 | 112.8 | R1124 E1125 S1130 E1131 H1132 | R1124-S1128 WeakPolarHBondContact O-CB 3.36Å; R1124-S1128 PolarHBondContact O-N 3.13Å; E1125-S1128 PolarHBondContact O-N 2.95Å; S1128-S1130 VanDerWaalsContact C-N 3.32Å; S1128-S1130 PolarHBondContact O-N 2.9Å; S1128-E1131 PolarHBondContact O-N 3.17Å; S1128-H1132 PolarHBondContact O-N 3.12Å |
| 1129 | L | 90.2 | Very high | 88.4 | Confident | 113 Ų | 113 | 95.4 Ų | 95.4 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -37.1 | 174.6 | -176.4 | 62.1 | 0 | 0 | 0 | 111.8 | E1125 D1127 E1131 H1132 V1133 | E1125-L1129 VanDerWaalsContact O-CB 3.25Å; E1125-L1129 WeakPolarHBondContact O-CB 3.44Å; E1125-L1129 PolarHBondContact O-N 3.21Å; D1127-L1129 PolarHBondContact O-N 3.5Å; L1129-E1131 VanDerWaalsContact C-N 3.34Å; L1129-H1132 PolarHBondContact O-N 3.04Å; L1129-V1133 WeakPolarHBondContact O-CB 3.05Å; L1129-V1133 VanDerWaalsContact O-CG2 3.29Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.38Å; L1129-V1133 PolarHBondContact O-N 3.4Å |
| 1130 | S | 91.6 | Very high | 89 | Confident | 64 Ų | 64 | 95.5 Ų | 95.5 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 175.5 | -166.4 | 0 | 0 | 0 | 0 | 112.2 | R1126 D1127 S1128 S1134 | R1126-S1130 WeakPolarHBondContact O-CB 3.44Å; R1126-S1130 PolarHBondContact O-N 3.45Å; R1126-S1130 VanDerWaalsContact O-N 3.11Å; D1127-S1130 WeakPolarHBondContact O-CB 3.28Å; D1127-S1130 PolarHBondContact O-N 3.31Å; D1127-S1130 VanDerWaalsContact O-N 3.1Å; S1128-S1130 VanDerWaalsContact C-N 3.32Å; S1128-S1130 PolarHBondContact O-N 2.9Å; S1130-S1134 WeakPolarHBondContact O-CB 3.38Å; S1130-S1134 PolarHBondContact O-N 3.42Å; S1130-S1134 VanDerWaalsContact O-N 3.09Å; S1130-S1134 PolarHBondContact O-OG 3.21Å |
| 1131 | E | 91.8 | Very high | 89.7 | Confident | 131 Ų | 131 | 95.7 Ų | 95.7 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -48 | 173.9 | -173.6 | 173.4 | -164.2 | 0 | 0 | 111.1 | D1127 S1128 L1129 V1133 S1134 V1135 | D1127-E1131 PolarHBondContact O-N 3.24Å; S1128-E1131 PolarHBondContact O-N 3.17Å; L1129-E1131 VanDerWaalsContact C-N 3.34Å; E1131-V1133 PolarHBondContact O-N 3.46Å; E1131-S1134 WeakPolarHBondContact O-CB 3.41Å; E1131-S1134 PolarHBondContact O-N 3.09Å; E1131-V1135 PolarHBondContact O-N 3.06Å |
| 1132 | H | 92.2 | Very high | 90.5 | Very high | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.546 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59 | -41.5 | 175.4 | -81.2 | 24.4 | 0 | 0 | 0 | 113 | S1128 L1129 S1134 V1135 L1136 | S1128-H1132 PolarHBondContact O-N 3.12Å; L1129-H1132 PolarHBondContact O-N 3.04Å; H1132-S1134 VanDerWaalsContact C-N 3.31Å; H1132-S1134 PolarHBondContact O-N 2.96Å; H1132-V1135 PolarHBondContact O-N 3.49Å; H1132-L1136 WeakPolarHBondContact O-CB 3.46Å; H1132-L1136 WeakPolarHBondContact O-CG 3.46Å; H1132-L1136 PolarHBondContact O-N 3.46Å |
| 1133 | V | 93.2 | Very high | 91.1 | Very high | 65 Ų | 65 | 96.7 Ų | 96.7 | 39% | 0.394 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 174.2 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | L1129 E1131 L1136 Q1137 | L1129-V1133 WeakPolarHBondContact O-CB 3.05Å; L1129-V1133 VanDerWaalsContact O-CG2 3.29Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.38Å; L1129-V1133 PolarHBondContact O-N 3.4Å; E1131-V1133 PolarHBondContact O-N 3.46Å; V1133-L1136 PolarHBondContact O-N 2.96Å; V1133-Q1137 WeakPolarHBondContact O-CB 3.4Å; V1133-Q1137 WeakPolarHBondContact O-CG 3.37Å; V1133-Q1137 PolarHBondContact O-N 2.93Å |
| 1134 | S | 92 | Very high | 91.5 | Very high | 67 Ų | 67 | 94.9 Ų | 94.9 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | S1130 E1131 H1132 N1138 | S1130-S1134 WeakPolarHBondContact O-CB 3.38Å; S1130-S1134 PolarHBondContact O-N 3.42Å; S1130-S1134 VanDerWaalsContact O-N 3.09Å; S1130-S1134 PolarHBondContact O-OG 3.21Å; E1131-S1134 WeakPolarHBondContact O-CB 3.41Å; E1131-S1134 PolarHBondContact O-N 3.09Å; H1132-S1134 VanDerWaalsContact C-N 3.31Å; H1132-S1134 PolarHBondContact O-N 2.96Å; S1134-N1138 PolarHBondContact O-N 2.94Å; S1134-N1138 VanDerWaalsContact O-N 3.15Å |
| 1135 | V | 93.1 | Very high | 92 | Very high | 77 Ų | 77 | 90.1 Ų | 90.1 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -49 | 173.2 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | E1131 H1132 Q1137 N1138 D1139 | E1131-V1135 PolarHBondContact O-N 3.06Å; H1132-V1135 PolarHBondContact O-N 3.49Å; V1135-Q1137 VanDerWaalsContact C-N 3.3Å; V1135-Q1137 PolarHBondContact O-N 2.99Å; V1135-N1138 WeakPolarHBondContact O-CB 3.36Å; V1135-N1138 PolarHBondContact O-N 3.23Å; V1135-N1138 VanDerWaalsContact O-N 3.11Å; V1135-D1139 PolarHBondContact O-N 2.92Å |
| 1136 | L | 92.3 | Very high | 92.4 | Very high | 123 Ų | 123 | 88.4 Ų | 88.4 | 64% | 0.644 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.3 | -38.3 | 177.7 | -80.8 | 164.2 | 0 | 0 | 0 | 113 | H1132 V1133 L1140 | H1132-L1136 WeakPolarHBondContact O-CB 3.46Å; H1132-L1136 WeakPolarHBondContact O-CG 3.46Å; H1132-L1136 PolarHBondContact O-N 3.46Å; V1133-L1136 PolarHBondContact O-N 2.96Å; L1136-L1140 WeakPolarHBondContact O-CB 3.49Å; L1136-L1140 PolarHBondContact O-N 2.96Å |
| 1137 | Q | 94.2 | Very high | 92.6 | Very high | 129 Ų | 129 | 88.1 Ų | 88.1 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.9 | -40.7 | 175.1 | -76.6 | 178.9 | -4.9 | 0 | 0 | 112.5 | V1133 V1135 A1141 | V1133-Q1137 WeakPolarHBondContact O-CB 3.4Å; V1133-Q1137 WeakPolarHBondContact O-CG 3.37Å; V1133-Q1137 PolarHBondContact O-N 2.93Å; V1135-Q1137 VanDerWaalsContact C-N 3.3Å; V1135-Q1137 PolarHBondContact O-N 2.99Å; Q1137-A1141 WeakPolarHBondContact O-CB 3.42Å; Q1137-A1141 PolarHBondContact O-N 2.79Å |
| 1138 | N | 93.4 | Very high | 92.7 | Very high | 90 Ų | 90 | 87.6 Ų | 87.6 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 177.5 | -171.2 | 2 | 0 | 0 | 0 | 111.5 | S1134 V1135 A1141 K1142 | S1134-N1138 PolarHBondContact O-N 2.94Å; S1134-N1138 VanDerWaalsContact O-N 3.15Å; V1135-N1138 WeakPolarHBondContact O-CB 3.36Å; V1135-N1138 PolarHBondContact O-N 3.23Å; V1135-N1138 VanDerWaalsContact O-N 3.11Å; N1138-A1141 WeakPolarHBondContact O-CB 3.42Å; N1138-A1141 PolarHBondContact O-N 2.82Å; N1138-K1142 WeakPolarHBondContact O-CG 3.43Å; N1138-K1142 PolarHBondContact O-N 3.38Å; N1138-K1142 VanDerWaalsContact OD1-CE 3.29Å; N1138-K1142 WeakPolarHBondContact OD1-CE 3.45Å |
| 1139 | D | 93.9 | Very high | 92.8 | Very high | 80 Ų | 80 | 88.6 Ų | 88.6 | 43% | 0.428 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.3 | -32.6 | -179.6 | -69 | -23.4 | 0 | 0 | 0 | 112.5 | V1135 K1142 A1143 | V1135-D1139 PolarHBondContact O-N 2.92Å; D1139-K1142 PolarHBondContact O-N 2.81Å; D1139-K1142 IonicContact OD1-NZ 3.83Å; D1139-K1142 PolarHBondContact OD1-NZ 3.36Å; D1139-A1143 WeakPolarHBondContact O-CB 3.38Å; D1139-A1143 PolarHBondContact O-N 3.48Å |
| 1140 | L | 92.1 | Very high | 92.9 | Very high | 112 Ų | 112 | 90.4 Ų | 90.4 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 167.8 | 179.8 | 61.3 | 0 | 0 | 0 | 111.7 | L1136 A1143 V1144 | L1136-L1140 WeakPolarHBondContact O-CB 3.49Å; L1136-L1140 PolarHBondContact O-N 2.96Å; L1140-A1143 PolarHBondContact O-N 3.08Å; L1140-V1144 HydrophobicContact CD1-CG2 4.36Å; L1140-V1144 WeakPolarHBondContact O-CG2 3.43Å; L1140-V1144 PolarHBondContact O-N 2.93Å |
| 1141 | A | 93.8 | Very high | 92.9 | Very high | 59 Ų | 59 | 92.7 Ų | 92.7 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1137 N1138 V1144 A1145 | Q1137-A1141 WeakPolarHBondContact O-CB 3.42Å; Q1137-A1141 PolarHBondContact O-N 2.79Å; N1138-A1141 WeakPolarHBondContact O-CB 3.42Å; N1138-A1141 PolarHBondContact O-N 2.82Å; A1141-V1144 PolarHBondContact O-N 3.35Å; A1141-A1145 WeakPolarHBondContact O-CB 3.18Å; A1141-A1145 PolarHBondContact O-N 3.25Å |
| 1142 | K | 94.4 | Very high | 93 | Very high | 102 Ų | 102 | 92.8 Ų | 92.8 | 44% | 0.443 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 172 | -68 | 172.6 | -162.8 | 152.9 | 0 | 112.1 | N1138 D1139 V1144 A1145 N1146 | N1138-K1142 WeakPolarHBondContact O-CG 3.43Å; N1138-K1142 PolarHBondContact O-N 3.38Å; N1138-K1142 VanDerWaalsContact OD1-CE 3.29Å; N1138-K1142 WeakPolarHBondContact OD1-CE 3.45Å; D1139-K1142 PolarHBondContact O-N 2.81Å; D1139-K1142 IonicContact OD1-NZ 3.83Å; D1139-K1142 PolarHBondContact OD1-NZ 3.36Å; K1142-V1144 PolarHBondContact O-N 3.14Å; K1142-A1145 PolarHBondContact O-N 3.49Å; K1142-N1146 WeakPolarHBondContact O-CB 3.34Å; K1142-N1146 PolarHBondContact O-N 3.45Å; K1142-N1146 PolarHBondContact O-OD1 2.77Å |
| 1143 | A | 92.2 | Very high | 93 | Very high | 56 Ų | 56 | 91.8 Ų | 91.8 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1139 L1140 L1147 | D1139-A1143 WeakPolarHBondContact O-CB 3.38Å; D1139-A1143 PolarHBondContact O-N 3.48Å; L1140-A1143 PolarHBondContact O-N 3.08Å; A1143-L1147 WeakPolarHBondContact O-CB 3.16Å; A1143-L1147 PolarHBondContact O-N 2.87Å |
| 1144 | V | 93.6 | Very high | 92.8 | Very high | 81 Ų | 81 | 91.1 Ų | 91.1 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -45 | 173.9 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L1140 A1141 K1142 N1146 L1147 T1148 | L1140-V1144 HydrophobicContact CD1-CG2 4.36Å; L1140-V1144 WeakPolarHBondContact O-CG2 3.43Å; L1140-V1144 PolarHBondContact O-N 2.93Å; A1141-V1144 PolarHBondContact O-N 3.35Å; K1142-V1144 PolarHBondContact O-N 3.14Å; V1144-N1146 PolarHBondContact O-N 3.31Å; V1144-L1147 PolarHBondContact O-N 3Å; V1144-T1148 WeakPolarHBondContact O-CG2 3.49Å; V1144-T1148 PolarHBondContact O-N 2.73Å |
| 1145 | A | 93.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 92.8 Ų | 92.8 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.9 | -51.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1141 K1142 L1147 T1148 T1149 | A1141-A1145 WeakPolarHBondContact O-CB 3.18Å; A1141-A1145 PolarHBondContact O-N 3.25Å; K1142-A1145 PolarHBondContact O-N 3.49Å; A1145-L1147 VanDerWaalsContact C-N 3.32Å; A1145-L1147 PolarHBondContact O-N 3.29Å; A1145-T1148 PolarHBondContact O-N 3.13Å; A1145-T1148 VanDerWaalsContact O-N 3.1Å; A1145-T1148 PolarHBondContact O-OG1 2.83Å; A1145-T1149 PolarHBondContact O-N 3.11Å |
| 1146 | N | 94.2 | Very high | 92.8 | Very high | 86 Ų | 86 | 93.9 Ų | 93.9 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 178.1 | -68.2 | -8.8 | 0 | 0 | 0 | 112.4 | K1142 V1144 T1149 Y1150 | K1142-N1146 WeakPolarHBondContact O-CB 3.34Å; K1142-N1146 PolarHBondContact O-N 3.45Å; K1142-N1146 PolarHBondContact O-OD1 2.77Å; V1144-N1146 PolarHBondContact O-N 3.31Å; N1146-T1149 WeakPolarHBondContact CA-OG1 3.25Å; N1146-T1149 PolarHBondContact O-N 2.98Å; N1146-T1149 PolarHBondContact O-OG1 3.12Å; N1146-Y1150 HydrophobicContact CB-CE2 4.35Å; N1146-Y1150 WeakPolarHBondContact O-CD2 3.45Å; N1146-Y1150 PolarHBondContact O-N 3.11Å |
| 1147 | L | 93.1 | Very high | 92.8 | Very high | 115 Ų | 115 | 93.3 Ų | 93.3 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 174.9 | -176.4 | 62.4 | 0 | 0 | 0 | 111.4 | A1143 V1144 A1145 T1149 Y1150 Q1151 | A1143-L1147 WeakPolarHBondContact O-CB 3.16Å; A1143-L1147 PolarHBondContact O-N 2.87Å; V1144-L1147 PolarHBondContact O-N 3Å; A1145-L1147 VanDerWaalsContact C-N 3.32Å; A1145-L1147 PolarHBondContact O-N 3.29Å; L1147-T1149 VanDerWaalsContact C-N 3.34Å; L1147-T1149 PolarHBondContact O-N 3.36Å; L1147-Y1150 PolarHBondContact O-N 3.04Å; L1147-Q1151 WeakPolarHBondContact O-CB 3.29Å; L1147-Q1151 PolarHBondContact O-N 3.1Å |
| 1148 | T | 92.1 | Very high | 92.7 | Very high | 67 Ų | 67 | 91.5 Ų | 91.5 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.2 | -28 | 177.2 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | V1144 A1145 K1152 | V1144-T1148 WeakPolarHBondContact O-CG2 3.49Å; V1144-T1148 PolarHBondContact O-N 2.73Å; A1145-T1148 PolarHBondContact O-N 3.13Å; A1145-T1148 VanDerWaalsContact O-N 3.1Å; A1145-T1148 PolarHBondContact O-OG1 2.83Å; T1148-K1152 WeakPolarHBondContact O-CG 3.43Å; T1148-K1152 PolarHBondContact O-N 3.19Å |
| 1149 | T | 91.6 | Very high | 92.7 | Very high | 78 Ų | 78 | 93.1 Ų | 93.1 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.7 | -46 | 172.2 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | A1145 N1146 L1147 Q1151 K1152 E1153 | A1145-T1149 PolarHBondContact O-N 3.11Å; N1146-T1149 WeakPolarHBondContact CA-OG1 3.25Å; N1146-T1149 PolarHBondContact O-N 2.98Å; N1146-T1149 PolarHBondContact O-OG1 3.12Å; L1147-T1149 VanDerWaalsContact C-N 3.34Å; L1147-T1149 PolarHBondContact O-N 3.36Å; T1149-Q1151 VanDerWaalsContact C-N 3.3Å; T1149-Q1151 PolarHBondContact O-N 2.9Å; T1149-K1152 PolarHBondContact O-N 3.39Å; T1149-E1153 WeakPolarHBondContact O-CB 3.48Å; T1149-E1153 PolarHBondContact O-N 3.41Å |
| 1150 | Y | 91.9 | Very high | 92.6 | Very high | 151 Ų | 151 | 93.8 Ų | 93.8 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -36.8 | 176.6 | -69 | -51.6 | 0 | 0 | 0 | 112.6 | N1146 L1147 E1153 A1154 | N1146-Y1150 HydrophobicContact CB-CE2 4.35Å; N1146-Y1150 WeakPolarHBondContact O-CD2 3.45Å; N1146-Y1150 PolarHBondContact O-N 3.11Å; L1147-Y1150 PolarHBondContact O-N 3.04Å; Y1150-E1153 PolarHBondContact O-N 3.39Å; Y1150-A1154 WeakPolarHBondContact O-CB 3.34Å; Y1150-A1154 PolarHBondContact O-N 2.63Å |
| 1151 | Q | 93.5 | Very high | 92.5 | Very high | 113 Ų | 113 | 91.5 Ų | 91.5 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 176.1 | -172.8 | 179.8 | -26.8 | 0 | 0 | 111.8 | L1147 T1149 E1153 A1154 E1155 | L1147-Q1151 WeakPolarHBondContact O-CB 3.29Å; L1147-Q1151 PolarHBondContact O-N 3.1Å; T1149-Q1151 VanDerWaalsContact C-N 3.3Å; T1149-Q1151 PolarHBondContact O-N 2.9Å; Q1151-E1153 VanDerWaalsContact C-N 3.31Å; Q1151-E1153 PolarHBondContact O-N 3.22Å; Q1151-A1154 PolarHBondContact O-N 2.85Å; Q1151-E1155 PolarHBondContact NE2-OE1 2.87Å; Q1151-E1155 VanDerWaalsContact NE2-OE1 3.09Å; Q1151-E1155 WeakPolarHBondContact O-CG 3.43Å; Q1151-E1155 PolarHBondContact O-N 3.18Å |
| 1152 | K | 93.6 | Very high | 92.4 | Very high | 132 Ų | 132 | 93.4 Ų | 93.4 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.1 | -38.1 | 175.1 | -74.4 | 175.7 | -179.9 | 178.9 | 0 | 112.3 | T1148 T1149 E1155 I1156 | T1148-K1152 WeakPolarHBondContact O-CG 3.43Å; T1148-K1152 PolarHBondContact O-N 3.19Å; T1149-K1152 PolarHBondContact O-N 3.39Å; K1152-E1155 PolarHBondContact O-N 2.8Å; K1152-I1156 WeakPolarHBondContact O-CB 3.4Å; K1152-I1156 WeakPolarHBondContact O-CD1 3.39Å; K1152-I1156 VanDerWaalsContact O-CG1 3.26Å; K1152-I1156 WeakPolarHBondContact O-CG1 3.24Å; K1152-I1156 PolarHBondContact O-N 3.46Å |
| 1153 | E | 91.1 | Very high | 92.3 | Very high | 97 Ų | 97 | 97.7 Ų | 97.7 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 176.6 | -164.2 | -172.7 | 157.9 | 0 | 0 | 111.5 | T1149 Y1150 Q1151 E1155 I1156 Q1157 | T1149-E1153 WeakPolarHBondContact O-CB 3.48Å; T1149-E1153 PolarHBondContact O-N 3.41Å; Y1150-E1153 PolarHBondContact O-N 3.39Å; Q1151-E1153 VanDerWaalsContact C-N 3.31Å; Q1151-E1153 PolarHBondContact O-N 3.22Å; E1153-E1155 VanDerWaalsContact C-N 3.34Å; E1153-E1155 PolarHBondContact O-N 2.99Å; E1153-I1156 PolarHBondContact O-N 3.38Å; E1153-Q1157 WeakPolarHBondContact O-CG 3.35Å; E1153-Q1157 PolarHBondContact O-N 3.33Å; E1153-Q1157 PolarHBondContact OE1-NE2 3.47Å |
| 1154 | A | 88.6 | Confident | 92.2 | Very high | 52 Ų | 52 | 100.6 Ų | 100.6 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1150 Q1151 T1158 | Y1150-A1154 WeakPolarHBondContact O-CB 3.34Å; Y1150-A1154 PolarHBondContact O-N 2.63Å; Q1151-A1154 PolarHBondContact O-N 2.85Å; A1154-T1158 WeakPolarHBondContact O-CB 3.36Å; A1154-T1158 PolarHBondContact O-N 3.13Å; A1154-T1158 PolarHBondContact O-OG1 3.3Å |
| 1155 | E | 93.1 | Very high | 92.2 | Very high | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 173.2 | -72.2 | 168.7 | -163.1 | 0 | 0 | 111.4 | Q1151 K1152 E1153 T1158 L1159 | Q1151-E1155 PolarHBondContact NE2-OE1 2.87Å; Q1151-E1155 VanDerWaalsContact NE2-OE1 3.09Å; Q1151-E1155 WeakPolarHBondContact O-CG 3.43Å; Q1151-E1155 PolarHBondContact O-N 3.18Å; K1152-E1155 PolarHBondContact O-N 2.8Å; E1153-E1155 VanDerWaalsContact C-N 3.34Å; E1153-E1155 PolarHBondContact O-N 2.99Å; E1155-T1158 PolarHBondContact O-N 3.03Å; E1155-L1159 WeakPolarHBondContact O-CG 3.29Å; E1155-L1159 PolarHBondContact O-N 3.24Å |
| 1156 | I | 92.5 | Very high | 92.3 | Very high | 101 Ų | 101 | 103.1 Ų | 103.1 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 176.4 | -70.2 | 164.5 | 0 | 0 | 0 | 111.9 | K1152 E1153 T1158 L1159 N1160 | K1152-I1156 WeakPolarHBondContact O-CB 3.4Å; K1152-I1156 WeakPolarHBondContact O-CD1 3.39Å; K1152-I1156 VanDerWaalsContact O-CG1 3.26Å; K1152-I1156 WeakPolarHBondContact O-CG1 3.24Å; K1152-I1156 PolarHBondContact O-N 3.46Å; E1153-I1156 PolarHBondContact O-N 3.38Å; I1156-T1158 VanDerWaalsContact C-N 3.32Å; I1156-T1158 PolarHBondContact O-N 2.76Å; I1156-L1159 PolarHBondContact O-N 3.13Å; I1156-N1160 PolarHBondContact O-N 2.76Å |
| 1157 | Q | 93.2 | Very high | 92.2 | Very high | 111 Ų | 111 | 101.2 Ų | 101.2 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 175.7 | -71.4 | -175.6 | 21.9 | 0 | 0 | 110.8 | E1153 L1159 N1160 T1161 | E1153-Q1157 WeakPolarHBondContact O-CG 3.35Å; E1153-Q1157 PolarHBondContact O-N 3.33Å; E1153-Q1157 PolarHBondContact OE1-NE2 3.47Å; Q1157-L1159 PolarHBondContact O-N 3.04Å; Q1157-N1160 PolarHBondContact O-N 2.64Å; Q1157-T1161 WeakPolarHBondContact O-CG2 3.49Å; Q1157-T1161 PolarHBondContact O-N 3.25Å |
| 1158 | T | 91.9 | Very high | 92.1 | Very high | 90 Ų | 90 | 101.6 Ų | 101.6 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.3 | -49.5 | 175.7 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | A1154 E1155 I1156 N1160 T1161 E1162 | A1154-T1158 WeakPolarHBondContact O-CB 3.36Å; A1154-T1158 PolarHBondContact O-N 3.13Å; A1154-T1158 PolarHBondContact O-OG1 3.3Å; E1155-T1158 PolarHBondContact O-N 3.03Å; I1156-T1158 VanDerWaalsContact C-N 3.32Å; I1156-T1158 PolarHBondContact O-N 2.76Å; T1158-N1160 PolarHBondContact O-N 3.49Å; T1158-T1161 PolarHBondContact O-N 2.85Å; T1158-T1161 PolarHBondContact O-OG1 2.93Å; T1158-E1162 PolarHBondContact O-N 2.87Å; T1158-E1162 VanDerWaalsContact O-N 3.13Å |
| 1159 | L | 92.4 | Very high | 92.2 | Very high | 125 Ų | 125 | 103 Ų | 103 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -38.6 | 177.4 | -73.6 | 170.3 | 0 | 0 | 0 | 113.1 | E1155 I1156 Q1157 E1162 R1163 | E1155-L1159 WeakPolarHBondContact O-CG 3.29Å; E1155-L1159 PolarHBondContact O-N 3.24Å; I1156-L1159 PolarHBondContact O-N 3.13Å; Q1157-L1159 PolarHBondContact O-N 3.04Å; L1159-E1162 PolarHBondContact O-N 3.35Å; L1159-R1163 WeakPolarHBondContact O-CB 3.35Å; L1159-R1163 PolarHBondContact O-N 3.28Å |
| 1160 | N | 92.2 | Very high | 92.3 | Very high | 94 Ų | 94 | 105 Ų | 105 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 174.8 | -90.5 | -7.6 | 0 | 0 | 0 | 111.8 | I1156 Q1157 T1158 E1162 R1163 E1164 | I1156-N1160 PolarHBondContact O-N 2.76Å; Q1157-N1160 PolarHBondContact O-N 2.64Å; T1158-N1160 PolarHBondContact O-N 3.49Å; N1160-E1162 PolarHBondContact O-N 3.23Å; N1160-R1163 PolarHBondContact O-N 3.1Å; N1160-E1164 WeakPolarHBondContact O-CB 3.47Å; N1160-E1164 PolarHBondContact O-N 2.65Å |
| 1161 | T | 90.1 | Very high | 92.2 | Very high | 64 Ų | 64 | 102.2 Ų | 102.2 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -31.2 | 178.5 | 64.8 | 0 | 0 | 0 | 0 | 112.8 | Q1157 T1158 K1165 | Q1157-T1161 WeakPolarHBondContact O-CG2 3.49Å; Q1157-T1161 PolarHBondContact O-N 3.25Å; T1158-T1161 PolarHBondContact O-N 2.85Å; T1158-T1161 PolarHBondContact O-OG1 2.93Å; T1161-K1165 VanDerWaalsContact O-CE 3.32Å; T1161-K1165 WeakPolarHBondContact O-CE 3.15Å; T1161-K1165 VanDerWaalsContact O-CG 3.29Å; T1161-K1165 WeakPolarHBondContact O-CG 3.44Å; T1161-K1165 PolarHBondContact O-N 3.32Å; T1161-K1165 VanDerWaalsContact O-N 3.1Å |
| 1162 | E | 92.3 | Very high | 92.2 | Very high | 98 Ų | 98 | 101.1 Ų | 101.1 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.4 | -40.1 | 175.2 | -160.4 | 60.5 | -150.7 | 0 | 0 | 111.8 | T1158 L1159 N1160 E1164 K1165 V1166 | T1158-E1162 PolarHBondContact O-N 2.87Å; T1158-E1162 VanDerWaalsContact O-N 3.13Å; L1159-E1162 PolarHBondContact O-N 3.35Å; N1160-E1162 PolarHBondContact O-N 3.23Å; E1162-E1164 VanDerWaalsContact C-N 3.3Å; E1162-E1164 PolarHBondContact O-N 3.48Å; E1162-K1165 PolarHBondContact O-N 3.35Å; E1162-K1165 IonicContact OE2-NZ 3.23Å; E1162-K1165 PolarHBondContact OE2-NZ 2.97Å; E1162-V1166 WeakPolarHBondContact O-CG2 3.06Å; E1162-V1166 PolarHBondContact O-N 3.42Å |
| 1163 | R | 91.7 | Very high | 92.2 | Very high | 193 Ų | 193 | 99.6 Ų | 99.6 | 73% | 0.728 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -39.1 | 174.2 | -167.8 | 179.8 | -169.8 | -177.9 | 3.5 | 112.1 | L1159 N1160 V1166 A1167 | L1159-R1163 WeakPolarHBondContact O-CB 3.35Å; L1159-R1163 PolarHBondContact O-N 3.28Å; N1160-R1163 PolarHBondContact O-N 3.1Å; R1163-V1166 PolarHBondContact O-N 2.79Å; R1163-A1167 PolarHBondContact O-N 3.5Å |
| 1164 | E | 91.2 | Very high | 92.2 | Very high | 117 Ų | 117 | 97.6 Ų | 97.6 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 176.2 | -173.8 | 170.3 | -140.1 | 0 | 0 | 111.8 | N1160 E1162 V1166 A1167 H1168 | N1160-E1164 WeakPolarHBondContact O-CB 3.47Å; N1160-E1164 PolarHBondContact O-N 2.65Å; E1162-E1164 VanDerWaalsContact C-N 3.3Å; E1162-E1164 PolarHBondContact O-N 3.48Å; E1164-V1166 VanDerWaalsContact C-N 3.35Å; E1164-V1166 PolarHBondContact O-N 3.09Å; E1164-A1167 PolarHBondContact O-N 3.33Å; E1164-H1168 PolarHBondContact O-CD2 2.74Å; E1164-H1168 VanDerWaalsContact O-CD2 3.23Å; E1164-H1168 PolarHBondContact O-N 3.33Å |
| 1165 | K | 93.5 | Very high | 92.4 | Very high | 108 Ų | 108 | 100.6 Ų | 100.6 | 47% | 0.47 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.7 | -45.8 | 170.8 | -73.5 | 169.6 | -137.6 | 159.2 | 0 | 112.2 | T1161 E1162 H1168 Q1169 | T1161-K1165 VanDerWaalsContact O-CE 3.32Å; T1161-K1165 WeakPolarHBondContact O-CE 3.15Å; T1161-K1165 VanDerWaalsContact O-CG 3.29Å; T1161-K1165 WeakPolarHBondContact O-CG 3.44Å; T1161-K1165 PolarHBondContact O-N 3.32Å; T1161-K1165 VanDerWaalsContact O-N 3.1Å; E1162-K1165 PolarHBondContact O-N 3.35Å; E1162-K1165 IonicContact OE2-NZ 3.23Å; E1162-K1165 PolarHBondContact OE2-NZ 2.97Å; K1165-H1168 PolarHBondContact O-N 3.41Å; K1165-Q1169 WeakPolarHBondContact O-CB 3.28Å; K1165-Q1169 PolarHBondContact O-N 2.93Å |
| 1166 | V | 94.7 | Very high | 92.5 | Very high | 72 Ų | 72 | 101.1 Ų | 101.1 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | E1162 R1163 E1164 Q1169 Q1170 | E1162-V1166 WeakPolarHBondContact O-CG2 3.06Å; E1162-V1166 PolarHBondContact O-N 3.42Å; R1163-V1166 PolarHBondContact O-N 2.79Å; E1164-V1166 VanDerWaalsContact C-N 3.35Å; E1164-V1166 PolarHBondContact O-N 3.09Å; V1166-Q1169 PolarHBondContact O-N 3.49Å; V1166-Q1170 HydrophobicContact CG1-CG 4.48Å; V1166-Q1170 WeakPolarHBondContact O-CB 3.47Å; V1166-Q1170 WeakPolarHBondContact O-CG 3.34Å; V1166-Q1170 PolarHBondContact O-N 2.95Å |
| 1167 | A | 92.3 | Very high | 92.5 | Very high | 47 Ų | 47 | 101.1 Ų | 101.1 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1163 E1164 T1171 | R1163-A1167 PolarHBondContact O-N 3.5Å; E1164-A1167 PolarHBondContact O-N 3.33Å; A1167-T1171 WeakPolarHBondContact O-CB 3.3Å; A1167-T1171 PolarHBondContact O-N 2.9Å; A1167-T1171 PolarHBondContact O-OG1 3.26Å |
| 1168 | H | 91.7 | Very high | 92.5 | Very high | 123 Ų | 123 | 99.1 Ų | 99.1 | 57% | 0.569 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -40.3 | 174.3 | -75.8 | -53 | 0 | 0 | 0 | 112.9 | E1164 K1165 T1171 L1172 | E1164-H1168 PolarHBondContact O-CD2 2.74Å; E1164-H1168 VanDerWaalsContact O-CD2 3.23Å; E1164-H1168 PolarHBondContact O-N 3.33Å; K1165-H1168 PolarHBondContact O-N 3.41Å; H1168-T1171 PolarHBondContact O-N 3.15Å; H1168-L1172 WeakPolarHBondContact O-CB 3.2Å; H1168-L1172 PolarHBondContact O-N 3.48Å |
| 1169 | Q | 93.7 | Very high | 92.5 | Very high | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 176.6 | -179.5 | 60.3 | 27.7 | 0 | 0 | 111.4 | K1165 V1166 T1171 L1172 E1173 | K1165-Q1169 WeakPolarHBondContact O-CB 3.28Å; K1165-Q1169 PolarHBondContact O-N 2.93Å; V1166-Q1169 PolarHBondContact O-N 3.49Å; Q1169-T1171 VanDerWaalsContact C-N 3.29Å; Q1169-T1171 PolarHBondContact O-N 3.38Å; Q1169-L1172 WeakPolarHBondContact O-CB 3.2Å; Q1169-L1172 PolarHBondContact O-N 3.32Å; Q1169-L1172 VanDerWaalsContact O-N 3.15Å; Q1169-E1173 WeakPolarHBondContact CG-OE1 3.24Å; Q1169-E1173 PolarHBondContact NE2-OE1 2.96Å; Q1169-E1173 WeakPolarHBondContact O-CG 3.38Å; Q1169-E1173 PolarHBondContact O-N 3.17Å |
| 1170 | Q | 92.5 | Very high | 92.6 | Very high | 121 Ų | 121 | 97.1 Ų | 97.1 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.5 | -37.7 | 174.8 | -72.3 | 175.6 | -22.2 | 0 | 0 | 112.1 | V1166 E1173 A1174 | V1166-Q1170 HydrophobicContact CG1-CG 4.48Å; V1166-Q1170 WeakPolarHBondContact O-CB 3.47Å; V1166-Q1170 WeakPolarHBondContact O-CG 3.34Å; V1166-Q1170 PolarHBondContact O-N 2.95Å; Q1170-E1173 PolarHBondContact O-N 3.24Å; Q1170-A1174 WeakPolarHBondContact O-CB 3.43Å; Q1170-A1174 PolarHBondContact O-N 3.48Å |
| 1171 | T | 91.5 | Very high | 92.6 | Very high | 92 Ų | 92 | 97.9 Ų | 97.9 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -39.5 | 174.6 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | A1167 H1168 Q1169 H1175 | A1167-T1171 WeakPolarHBondContact O-CB 3.3Å; A1167-T1171 PolarHBondContact O-N 2.9Å; A1167-T1171 PolarHBondContact O-OG1 3.26Å; H1168-T1171 PolarHBondContact O-N 3.15Å; Q1169-T1171 VanDerWaalsContact C-N 3.29Å; Q1169-T1171 PolarHBondContact O-N 3.38Å; T1171-H1175 WeakPolarHBondContact O-CB 3.25Å; T1171-H1175 PolarHBondContact O-N 3.43Å |
| 1172 | L | 91.5 | Very high | 92.6 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 176.8 | -171.1 | 73.9 | 0 | 0 | 0 | 111.7 | H1168 Q1169 H1175 Q1176 | H1168-L1172 WeakPolarHBondContact O-CB 3.2Å; H1168-L1172 PolarHBondContact O-N 3.48Å; Q1169-L1172 WeakPolarHBondContact O-CB 3.2Å; Q1169-L1172 PolarHBondContact O-N 3.32Å; Q1169-L1172 VanDerWaalsContact O-N 3.15Å; L1172-H1175 PolarHBondContact O-N 3.37Å; L1172-Q1176 WeakPolarHBondContact O-CG 3.48Å; L1172-Q1176 PolarHBondContact O-N 3.27Å |
| 1173 | E | 93.6 | Very high | 92.7 | Very high | 101 Ų | 101 | 100.2 Ų | 100.2 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 176.6 | -73.7 | 169.4 | -170.9 | 0 | 0 | 111.7 | Q1169 Q1170 H1175 Q1176 L1177 | Q1169-E1173 WeakPolarHBondContact CG-OE1 3.24Å; Q1169-E1173 PolarHBondContact NE2-OE1 2.96Å; Q1169-E1173 WeakPolarHBondContact O-CG 3.38Å; Q1169-E1173 PolarHBondContact O-N 3.17Å; Q1170-E1173 PolarHBondContact O-N 3.24Å; E1173-H1175 VanDerWaalsContact C-N 3.32Å; E1173-H1175 PolarHBondContact O-N 3.11Å; E1173-Q1176 PolarHBondContact O-N 3.27Å; E1173-L1177 PolarHBondContact O-N 3.19Å |
| 1174 | A | 92.5 | Very high | 92.8 | Very high | 55 Ų | 55 | 95.3 Ų | 95.3 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1170 L1177 T1178 | Q1170-A1174 WeakPolarHBondContact O-CB 3.43Å; Q1170-A1174 PolarHBondContact O-N 3.48Å; A1174-L1177 PolarHBondContact O-N 3.48Å; A1174-T1178 PolarHBondContact O-N 3.34Å |
| 1175 | H | 92.7 | Very high | 92.8 | Very high | 115 Ų | 115 | 92.2 Ų | 92.2 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 177.2 | -161.8 | 47.4 | 0 | 0 | 0 | 112 | T1171 L1172 E1173 L1177 T1178 I1179 | T1171-H1175 WeakPolarHBondContact O-CB 3.25Å; T1171-H1175 PolarHBondContact O-N 3.43Å; L1172-H1175 PolarHBondContact O-N 3.37Å; E1173-H1175 VanDerWaalsContact C-N 3.32Å; E1173-H1175 PolarHBondContact O-N 3.11Å; H1175-L1177 VanDerWaalsContact C-N 3.33Å; H1175-L1177 PolarHBondContact O-N 3.41Å; H1175-T1178 PolarHBondContact O-N 3.12Å; H1175-T1178 PolarHBondContact O-OG1 3.03Å; H1175-I1179 WeakPolarHBondContact O-CG1 3.45Å; H1175-I1179 PolarHBondContact O-N 2.8Å |
| 1176 | Q | 94.6 | Very high | 92.8 | Very high | 111 Ų | 111 | 94 Ų | 94 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 173.3 | -73 | 175.9 | 23 | 0 | 0 | 112 | L1172 E1173 I1179 V1180 | L1172-Q1176 WeakPolarHBondContact O-CG 3.48Å; L1172-Q1176 PolarHBondContact O-N 3.27Å; E1173-Q1176 PolarHBondContact O-N 3.27Å; Q1176-I1179 PolarHBondContact O-N 3.14Å; Q1176-V1180 PolarHBondContact O-N 3.2Å; Q1176-V1180 VanDerWaalsContact O-N 3.09Å |
| 1177 | L | 93.4 | Very high | 92.6 | Very high | 102 Ų | 102 | 92.8 Ų | 92.8 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -49.8 | 175 | -178.2 | 62.1 | 0 | 0 | 0 | 111.5 | E1173 A1174 H1175 I1179 V1180 E1181 | E1173-L1177 PolarHBondContact O-N 3.19Å; A1174-L1177 PolarHBondContact O-N 3.48Å; H1175-L1177 VanDerWaalsContact C-N 3.33Å; H1175-L1177 PolarHBondContact O-N 3.41Å; L1177-I1179 PolarHBondContact O-N 3.04Å; L1177-V1180 WeakPolarHBondContact O-CA 3.45Å; L1177-V1180 WeakPolarHBondContact O-CB 3.39Å; L1177-V1180 PolarHBondContact O-N 3.34Å; L1177-E1181 WeakPolarHBondContact O-CG 3.44Å; L1177-E1181 PolarHBondContact O-N 2.96Å |
| 1178 | T | 92.2 | Very high | 92.6 | Very high | 68 Ų | 68 | 95.6 Ų | 95.6 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -29.8 | 177.7 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | A1174 H1175 L1182 | A1174-T1178 PolarHBondContact O-N 3.34Å; H1175-T1178 PolarHBondContact O-N 3.12Å; H1175-T1178 PolarHBondContact O-OG1 3.03Å; T1178-L1182 VanDerWaalsContact O-CB 3.26Å; T1178-L1182 WeakPolarHBondContact O-CB 3.32Å; T1178-L1182 PolarHBondContact O-N 3.45Å |
| 1179 | I | 92.6 | Very high | 92.6 | Very high | 76 Ų | 76 | 95.3 Ų | 95.3 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 173.5 | -69.1 | 164.9 | 0 | 0 | 0 | 111.4 | H1175 Q1176 L1177 N1183 | H1175-I1179 WeakPolarHBondContact O-CG1 3.45Å; H1175-I1179 PolarHBondContact O-N 2.8Å; Q1176-I1179 PolarHBondContact O-N 3.14Å; L1177-I1179 PolarHBondContact O-N 3.04Å; I1179-N1183 PolarHBondContact O-N 3.25Å; I1179-N1183 VanDerWaalsContact O-N 3.12Å; I1179-N1183 PolarHBondContact O-ND2 3.47Å |
| 1180 | V | 93.3 | Very high | 92.6 | Very high | 98 Ų | 98 | 97.1 Ų | 97.1 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -45.9 | 173.8 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | Q1176 L1177 L1182 N1183 N1184 | Q1176-V1180 PolarHBondContact O-N 3.2Å; Q1176-V1180 VanDerWaalsContact O-N 3.09Å; L1177-V1180 WeakPolarHBondContact O-CA 3.45Å; L1177-V1180 WeakPolarHBondContact O-CB 3.39Å; L1177-V1180 PolarHBondContact O-N 3.34Å; V1180-L1182 PolarHBondContact O-N 3.35Å; V1180-N1183 PolarHBondContact O-N 3.05Å; V1180-N1184 PolarHBondContact O-N 2.99Å |
| 1181 | E | 92.3 | Very high | 92.5 | Very high | 109 Ų | 109 | 96.3 Ų | 96.3 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 176.8 | -67.5 | 172.1 | 162.1 | 0 | 0 | 112 | L1177 N1183 N1184 A1185 | L1177-E1181 WeakPolarHBondContact O-CG 3.44Å; L1177-E1181 PolarHBondContact O-N 2.96Å; E1181-N1183 VanDerWaalsContact C-N 3.31Å; E1181-N1183 PolarHBondContact O-N 3.34Å; E1181-N1184 PolarHBondContact O-N 3.44Å; E1181-A1185 PolarHBondContact O-N 3.27Å |
| 1182 | L | 91.7 | Very high | 92.5 | Very high | 124 Ų | 124 | 96 Ų | 96 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59 | -40.6 | 175.5 | -173 | 77.8 | 0 | 0 | 0 | 112.1 | T1178 V1180 K1186 | T1178-L1182 VanDerWaalsContact O-CB 3.26Å; T1178-L1182 WeakPolarHBondContact O-CB 3.32Å; T1178-L1182 PolarHBondContact O-N 3.45Å; V1180-L1182 PolarHBondContact O-N 3.35Å; L1182-K1186 VanDerWaalsContact O-CB 3.29Å; L1182-K1186 WeakPolarHBondContact O-CB 3.22Å; L1182-K1186 PolarHBondContact O-N 3.14Å |
| 1183 | N | 93.6 | Very high | 92.5 | Very high | 88 Ų | 88 | 98.4 Ų | 98.4 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.8 | -34.7 | 177.3 | -79.8 | -62.4 | 0 | 0 | 0 | 112.4 | I1179 V1180 E1181 K1186 A1187 | I1179-N1183 PolarHBondContact O-N 3.25Å; I1179-N1183 VanDerWaalsContact O-N 3.12Å; I1179-N1183 PolarHBondContact O-ND2 3.47Å; V1180-N1183 PolarHBondContact O-N 3.05Å; E1181-N1183 VanDerWaalsContact C-N 3.31Å; E1181-N1183 PolarHBondContact O-N 3.34Å; N1183-K1186 PolarHBondContact O-N 3.49Å; N1183-A1187 PolarHBondContact O-N 3.03Å; N1183-A1187 VanDerWaalsContact O-N 3.07Å |
| 1184 | N | 93.1 | Very high | 92.5 | Very high | 89 Ų | 89 | 98.8 Ų | 98.8 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -50.3 | 173.8 | -174.2 | 69 | 0 | 0 | 0 | 111.6 | V1180 E1181 K1186 A1187 E1188 | V1180-N1184 PolarHBondContact O-N 2.99Å; E1181-N1184 PolarHBondContact O-N 3.44Å; N1184-K1186 PolarHBondContact O-N 3.14Å; N1184-A1187 WeakPolarHBondContact O-CA 3.21Å; N1184-A1187 WeakPolarHBondContact O-CB 3.38Å; N1184-A1187 PolarHBondContact O-N 3.35Å; N1184-E1188 PolarHBondContact ND2-OE1 3.42Å; N1184-E1188 PolarHBondContact O-N 3.46Å |
| 1185 | A | 91.2 | Very high | 92.5 | Very high | 52 Ų | 52 | 101.6 Ų | 101.6 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.3 | -34.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1181 L1189 | E1181-A1185 PolarHBondContact O-N 3.27Å; A1185-L1189 WeakPolarHBondContact O-CB 3.42Å; A1185-L1189 PolarHBondContact O-N 3.02Å |
| 1186 | K | 93.8 | Very high | 92.3 | Very high | 145 Ų | 145 | 99 Ų | 99 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.2 | -35.8 | 173.5 | -176.3 | 179.8 | 177.4 | -176.8 | 0 | 113.1 | L1182 N1183 N1184 F1190 | L1182-K1186 VanDerWaalsContact O-CB 3.29Å; L1182-K1186 WeakPolarHBondContact O-CB 3.22Å; L1182-K1186 PolarHBondContact O-N 3.14Å; N1183-K1186 PolarHBondContact O-N 3.49Å; N1184-K1186 PolarHBondContact O-N 3.14Å; K1186-F1190 PolarHBondContact O-N 3.05Å; K1186-F1190 VanDerWaalsContact O-N 3.16Å |
| 1187 | A | 91.9 | Very high | 92.2 | Very high | 48 Ų | 48 | 95.4 Ų | 95.4 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.9 | -41.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1183 N1184 F1190 N1191 | N1183-A1187 PolarHBondContact O-N 3.03Å; N1183-A1187 VanDerWaalsContact O-N 3.07Å; N1184-A1187 WeakPolarHBondContact O-CA 3.21Å; N1184-A1187 WeakPolarHBondContact O-CB 3.38Å; N1184-A1187 PolarHBondContact O-N 3.35Å; A1187-F1190 PolarHBondContact O-N 3.01Å; A1187-N1191 PolarHBondContact O-N 3.29Å; A1187-N1191 PolarHBondContact O-ND2 3.01Å |
| 1188 | E | 92.5 | Very high | 92.2 | Very high | 106 Ų | 106 | 95.1 Ų | 95.1 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 173 | -70.5 | 172.6 | -169.3 | 0 | 0 | 111.7 | N1184 F1190 N1191 V1192 | N1184-E1188 PolarHBondContact ND2-OE1 3.42Å; N1184-E1188 PolarHBondContact O-N 3.46Å; E1188-F1190 VanDerWaalsContact C-N 3.29Å; E1188-F1190 PolarHBondContact O-N 3.05Å; E1188-N1191 WeakPolarHBondContact O-CB 3.44Å; E1188-N1191 PolarHBondContact O-N 2.84Å; E1188-N1191 VanDerWaalsContact O-N 3.13Å; E1188-V1192 WeakPolarHBondContact O-CG2 3.27Å; E1188-V1192 PolarHBondContact O-N 3.28Å |
| 1189 | L | 91.2 | Very high | 92.2 | Very high | 116 Ų | 116 | 96.5 Ų | 96.5 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.6 | -39 | 175.4 | -176.9 | 63.9 | 0 | 0 | 0 | 112.5 | A1185 V1192 Q1193 | A1185-L1189 WeakPolarHBondContact O-CB 3.42Å; A1185-L1189 PolarHBondContact O-N 3.02Å; L1189-V1192 PolarHBondContact O-N 3.05Å; L1189-Q1193 WeakPolarHBondContact O-CB 3.31Å; L1189-Q1193 PolarHBondContact O-N 2.97Å |
| 1190 | F | 92.2 | Very high | 92.2 | Very high | 135 Ų | 135 | 101.1 Ų | 101.1 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.5 | -39.6 | 175.8 | -174.4 | -98 | 0 | 0 | 0 | 112.2 | K1186 A1187 E1188 Q1193 K1194 | K1186-F1190 PolarHBondContact O-N 3.05Å; K1186-F1190 VanDerWaalsContact O-N 3.16Å; A1187-F1190 PolarHBondContact O-N 3.01Å; E1188-F1190 VanDerWaalsContact C-N 3.29Å; E1188-F1190 PolarHBondContact O-N 3.05Å; F1190-Q1193 PolarHBondContact O-N 2.94Å; F1190-K1194 PolarHBondContact O-N 2.69Å |
| 1191 | N | 91.9 | Very high | 92.1 | Very high | 104 Ų | 104 | 102.6 Ų | 102.6 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 174.8 | -69.2 | -27.4 | 0 | 0 | 0 | 111.8 | A1187 E1188 K1194 L1195 | A1187-N1191 PolarHBondContact O-N 3.29Å; A1187-N1191 PolarHBondContact O-ND2 3.01Å; E1188-N1191 WeakPolarHBondContact O-CB 3.44Å; E1188-N1191 PolarHBondContact O-N 2.84Å; E1188-N1191 VanDerWaalsContact O-N 3.13Å; N1191-K1194 WeakPolarHBondContact O-CB 3.42Å; N1191-K1194 PolarHBondContact O-N 3.32Å; N1191-L1195 PolarHBondContact O-N 2.86Å |
| 1192 | V | 90.3 | Very high | 92.1 | Very high | 86 Ų | 86 | 103.2 Ų | 103.2 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 173.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | E1188 L1189 K1194 L1195 V1196 | E1188-V1192 WeakPolarHBondContact O-CG2 3.27Å; E1188-V1192 PolarHBondContact O-N 3.28Å; L1189-V1192 PolarHBondContact O-N 3.05Å; V1192-K1194 VanDerWaalsContact C-N 3.32Å; V1192-K1194 PolarHBondContact O-N 3.32Å; V1192-L1195 PolarHBondContact O-N 3.11Å; V1192-V1196 HydrophobicContact CG1-CG2 4.33Å; V1192-V1196 WeakPolarHBondContact O-CB 3.24Å; V1192-V1196 VanDerWaalsContact O-CG2 3.31Å; V1192-V1196 WeakPolarHBondContact O-CG2 3.39Å; V1192-V1196 PolarHBondContact O-N 2.98Å |
| 1193 | Q | 92.1 | Very high | 92.1 | Very high | 138 Ų | 138 | 101.6 Ų | 101.6 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -39.4 | 176.4 | -172.7 | 177.9 | 15.3 | 0 | 0 | 112.2 | L1189 F1190 G1197 | L1189-Q1193 WeakPolarHBondContact O-CB 3.31Å; L1189-Q1193 PolarHBondContact O-N 2.97Å; F1190-Q1193 PolarHBondContact O-N 2.94Å; Q1193-G1197 PolarHBondContact O-N 2.96Å; Q1193-G1197 VanDerWaalsContact O-N 3.09Å |
| 1194 | K | 92.8 | Very high | 92 | Very high | 109 Ų | 109 | 101.2 Ų | 101.2 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -50.7 | 173.6 | 178.6 | -178.5 | 172.6 | -69.4 | 0 | 111.4 | F1190 N1191 V1192 V1196 G1197 E1198 | F1190-K1194 PolarHBondContact O-N 2.69Å; N1191-K1194 WeakPolarHBondContact O-CB 3.42Å; N1191-K1194 PolarHBondContact O-N 3.32Å; V1192-K1194 VanDerWaalsContact C-N 3.32Å; V1192-K1194 PolarHBondContact O-N 3.32Å; K1194-V1196 VanDerWaalsContact C-N 3.32Å; K1194-V1196 PolarHBondContact O-N 3.41Å; K1194-G1197 WeakPolarHBondContact O-CA 2.99Å; K1194-G1197 PolarHBondContact O-N 3.01Å; K1194-E1198 WeakPolarHBondContact CE-OE1 3.5Å; K1194-E1198 IonicContact NZ-OE1 3.13Å; K1194-E1198 PolarHBondContact NZ-OE1 3Å; K1194-E1198 IonicContact NZ-OE2 2.84Å; K1194-E1198 PolarHBondContact NZ-OE2 3.39Å; K1194-E1198 PolarHBondContact O-N 3.42Å |
| 1195 | L | 93.1 | Very high | 91.9 | Very high | 114 Ų | 114 | 100.4 Ų | 100.4 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -39.6 | -179.8 | -173.7 | 66.1 | 0 | 0 | 0 | 112.1 | N1191 V1192 G1197 E1198 L1199 | N1191-L1195 PolarHBondContact O-N 2.86Å; V1192-L1195 PolarHBondContact O-N 3.11Å; L1195-G1197 VanDerWaalsContact C-N 3.26Å; L1195-G1197 PolarHBondContact O-N 2.79Å; L1195-E1198 PolarHBondContact O-N 3.25Å; L1195-L1199 WeakPolarHBondContact O-CB 3.5Å; L1195-L1199 PolarHBondContact O-N 3.17Å |
| 1196 | V | 89.8 | Confident | 91.8 | Very high | 62 Ų | 62 | 100.6 Ų | 100.6 | 38% | 0.376 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -30.4 | 172.9 | 169.5 | 0 | 0 | 0 | 0 | 112 | V1192 K1194 R1200 | V1192-V1196 HydrophobicContact CG1-CG2 4.33Å; V1192-V1196 WeakPolarHBondContact O-CB 3.24Å; V1192-V1196 VanDerWaalsContact O-CG2 3.31Å; V1192-V1196 WeakPolarHBondContact O-CG2 3.39Å; V1192-V1196 PolarHBondContact O-N 2.98Å; K1194-V1196 VanDerWaalsContact C-N 3.32Å; K1194-V1196 PolarHBondContact O-N 3.41Å; V1196-R1200 WeakPolarHBondContact O-CB 3.45Å; V1196-R1200 VanDerWaalsContact O-CD 3.3Å; V1196-R1200 WeakPolarHBondContact O-CD 3.23Å; V1196-R1200 WeakPolarHBondContact O-CG 3.37Å; V1196-R1200 PolarHBondContact O-N 2.95Å |
| 1197 | G | 91.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 101.3 Ų | 101.3 | 36% | 0.361 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1193 K1194 L1195 R1200 Q1201 | Q1193-G1197 PolarHBondContact O-N 2.96Å; Q1193-G1197 VanDerWaalsContact O-N 3.09Å; K1194-G1197 WeakPolarHBondContact O-CA 2.99Å; K1194-G1197 PolarHBondContact O-N 3.01Å; L1195-G1197 VanDerWaalsContact C-N 3.26Å; L1195-G1197 PolarHBondContact O-N 2.79Å; G1197-R1200 PolarHBondContact O-N 3.15Å; G1197-Q1201 PolarHBondContact O-N 3.16Å |
| 1198 | E | 92.8 | Very high | 91.7 | Very high | 95 Ų | 95 | 104.8 Ų | 104.8 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -50.1 | 178.8 | -69.7 | 169.2 | 151.2 | 0 | 0 | 111 | K1194 L1195 R1200 Q1201 E1202 | K1194-E1198 WeakPolarHBondContact CE-OE1 3.5Å; K1194-E1198 IonicContact NZ-OE1 3.13Å; K1194-E1198 PolarHBondContact NZ-OE1 3Å; K1194-E1198 IonicContact NZ-OE2 2.84Å; K1194-E1198 PolarHBondContact NZ-OE2 3.39Å; K1194-E1198 PolarHBondContact O-N 3.42Å; L1195-E1198 PolarHBondContact O-N 3.25Å; E1198-R1200 PolarHBondContact O-N 3.39Å; E1198-Q1201 PolarHBondContact O-N 3.41Å; E1198-E1202 PolarHBondContact O-N 3.32Å; E1198-E1202 VanDerWaalsContact O-N 3.08Å |
| 1199 | L | 92.3 | Very high | 91.6 | Very high | 98 Ų | 98 | 105.3 Ų | 105.3 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.9 | -32.8 | 176.4 | -170.7 | 70.9 | 0 | 0 | 0 | 112.8 | L1195 V1203 | L1195-L1199 WeakPolarHBondContact O-CB 3.5Å; L1195-L1199 PolarHBondContact O-N 3.17Å; L1199-V1203 WeakPolarHBondContact O-CB 3.3Å; L1199-V1203 VanDerWaalsContact O-CG2 3.28Å; L1199-V1203 WeakPolarHBondContact O-CG2 3.5Å; L1199-V1203 PolarHBondContact O-N 3.45Å |
| 1200 | R | 93.1 | Very high | 91.5 | Very high | 172 Ų | 172 | 103.3 Ų | 103.3 | 65% | 0.649 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.5 | -34.5 | 174.9 | -79.7 | 169.7 | -176.3 | -164.7 | 2.2 | 112.9 | V1196 G1197 E1198 I1204 | V1196-R1200 WeakPolarHBondContact O-CB 3.45Å; V1196-R1200 VanDerWaalsContact O-CD 3.3Å; V1196-R1200 WeakPolarHBondContact O-CD 3.23Å; V1196-R1200 WeakPolarHBondContact O-CG 3.37Å; V1196-R1200 PolarHBondContact O-N 2.95Å; G1197-R1200 PolarHBondContact O-N 3.15Å; E1198-R1200 PolarHBondContact O-N 3.39Å; R1200-I1204 WeakPolarHBondContact O-CD1 3.49Å; R1200-I1204 VanDerWaalsContact O-CG1 3.27Å; R1200-I1204 WeakPolarHBondContact O-CG1 3.31Å; R1200-I1204 PolarHBondContact O-N 3.18Å |
| 1201 | Q | 92 | Very high | 91.4 | Very high | 129 Ų | 129 | 99.7 Ų | 99.7 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.6 | -40 | 175.9 | -67 | -65.1 | -9.9 | 0 | 0 | 111.3 | G1197 E1198 I1204 S1205 | G1197-Q1201 PolarHBondContact O-N 3.16Å; E1198-Q1201 PolarHBondContact O-N 3.41Å; Q1201-I1204 PolarHBondContact O-N 3.13Å; Q1201-S1205 PolarHBondContact O-N 3.44Å |
| 1202 | E | 91.4 | Very high | 91.4 | Very high | 122 Ų | 122 | 100.9 Ų | 100.9 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.1 | -49 | 173.1 | -172.7 | 174.1 | -160.3 | 0 | 0 | 111.3 | E1198 I1204 S1205 S1206 | E1198-E1202 PolarHBondContact O-N 3.32Å; E1198-E1202 VanDerWaalsContact O-N 3.08Å; E1202-I1204 VanDerWaalsContact C-N 3.27Å; E1202-I1204 PolarHBondContact O-N 3.08Å; E1202-S1205 PolarHBondContact O-N 3.27Å; E1202-S1205 VanDerWaalsContact O-N 3.1Å; E1202-S1206 PolarHBondContact O-N 3.01Å; E1202-S1206 PolarHBondContact O-OG 3.42Å |
| 1203 | V | 91.4 | Very high | 91.3 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.7 | -31.9 | 175.9 | 167.7 | 0 | 0 | 0 | 0 | 113.2 | L1199 K1207 | L1199-V1203 WeakPolarHBondContact O-CB 3.3Å; L1199-V1203 VanDerWaalsContact O-CG2 3.28Å; L1199-V1203 WeakPolarHBondContact O-CG2 3.5Å; L1199-V1203 PolarHBondContact O-N 3.45Å; V1203-K1207 VanDerWaalsContact O-CB 3.23Å; V1203-K1207 WeakPolarHBondContact O-CB 3.42Å; V1203-K1207 PolarHBondContact O-N 3.46Å |
| 1204 | I | 92.2 | Very high | 91.3 | Very high | 79 Ų | 79 | 102.2 Ų | 102.2 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.4 | -49 | 172.6 | -70.8 | 163.6 | 0 | 0 | 0 | 110 | R1200 Q1201 E1202 K1207 E1208 | R1200-I1204 WeakPolarHBondContact O-CD1 3.49Å; R1200-I1204 VanDerWaalsContact O-CG1 3.27Å; R1200-I1204 WeakPolarHBondContact O-CG1 3.31Å; R1200-I1204 PolarHBondContact O-N 3.18Å; Q1201-I1204 PolarHBondContact O-N 3.13Å; E1202-I1204 VanDerWaalsContact C-N 3.27Å; E1202-I1204 PolarHBondContact O-N 3.08Å; I1204-K1207 WeakPolarHBondContact O-CB 3.45Å; I1204-K1207 PolarHBondContact O-N 3.16Å; I1204-K1207 VanDerWaalsContact O-N 3.12Å; I1204-E1208 PolarHBondContact O-N 3.36Å |
| 1205 | S | 90.8 | Very high | 91.2 | Very high | 72 Ų | 72 | 99.9 Ų | 99.9 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | -178.8 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | Q1201 E1202 K1207 E1208 E1209 | Q1201-S1205 PolarHBondContact O-N 3.44Å; E1202-S1205 PolarHBondContact O-N 3.27Å; E1202-S1205 VanDerWaalsContact O-N 3.1Å; S1205-K1207 PolarHBondContact O-N 3.43Å; S1205-E1208 PolarHBondContact O-N 3.39Å; S1205-E1208 VanDerWaalsContact O-N 3.15Å; S1205-E1209 PolarHBondContact O-N 3.48Å |
| 1206 | S | 88.6 | Confident | 91.1 | Very high | 56 Ų | 56 | 99.6 Ų | 99.6 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -31 | 174.8 | -53.6 | 0 | 0 | 0 | 0 | 112.7 | E1202 V1210 | E1202-S1206 PolarHBondContact O-N 3.01Å; E1202-S1206 PolarHBondContact O-OG 3.42Å; S1206-V1210 WeakPolarHBondContact O-CB 3.37Å; S1206-V1210 VanDerWaalsContact O-CG2 3.25Å; S1206-V1210 WeakPolarHBondContact O-CG2 3.31Å; S1206-V1210 PolarHBondContact O-N 3.09Å |
| 1207 | K | 92.2 | Very high | 91.1 | Very high | 160 Ų | 160 | 101.7 Ų | 101.7 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.5 | -34.3 | 176.3 | -177.6 | -178.7 | 176.9 | -173.8 | 0 | 112.2 | V1203 I1204 S1205 A1211 | V1203-K1207 VanDerWaalsContact O-CB 3.23Å; V1203-K1207 WeakPolarHBondContact O-CB 3.42Å; V1203-K1207 PolarHBondContact O-N 3.46Å; I1204-K1207 WeakPolarHBondContact O-CB 3.45Å; I1204-K1207 PolarHBondContact O-N 3.16Å; I1204-K1207 VanDerWaalsContact O-N 3.12Å; S1205-K1207 PolarHBondContact O-N 3.43Å; K1207-A1211 PolarHBondContact O-N 3.16Å; K1207-A1211 VanDerWaalsContact O-N 3.14Å |
| 1208 | E | 91.1 | Very high | 91.1 | Very high | 122 Ų | 122 | 103.9 Ų | 103.9 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.7 | -42.2 | 172.5 | -69.5 | 176.1 | 172.4 | 0 | 0 | 111.2 | I1204 S1205 A1211 L1212 | I1204-E1208 PolarHBondContact O-N 3.36Å; S1205-E1208 PolarHBondContact O-N 3.39Å; S1205-E1208 VanDerWaalsContact O-N 3.15Å; E1208-A1211 WeakPolarHBondContact O-CB 3.5Å; E1208-A1211 PolarHBondContact O-N 3.03Å; E1208-L1212 PolarHBondContact O-N 3.26Å |
| 1209 | E | 92 | Very high | 91 | Very high | 116 Ų | 116 | 105.1 Ų | 105.1 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 173.2 | -172.8 | -178.6 | -174.2 | 0 | 0 | 111.9 | S1205 A1211 L1212 L1213 | S1205-E1209 PolarHBondContact O-N 3.48Å; E1209-A1211 PolarHBondContact O-N 3.47Å; E1209-L1212 PolarHBondContact O-N 2.81Å; E1209-L1212 VanDerWaalsContact O-N 3.14Å; E1209-L1213 HydrophobicContact CG-CD1 4.07Å; E1209-L1213 HydrophobicContact CG-CG 4.41Å; E1209-L1213 WeakPolarHBondContact O-CG 3.27Å; E1209-L1213 PolarHBondContact O-N 3.13Å |
| 1210 | V | 88.8 | Confident | 91 | Very high | 74 Ų | 74 | 102.5 Ų | 102.5 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -30.1 | 176.1 | 167.5 | 0 | 0 | 0 | 0 | 112.3 | S1206 R1214 | S1206-V1210 WeakPolarHBondContact O-CB 3.37Å; S1206-V1210 VanDerWaalsContact O-CG2 3.25Å; S1206-V1210 WeakPolarHBondContact O-CG2 3.31Å; S1206-V1210 PolarHBondContact O-N 3.09Å; V1210-R1214 WeakPolarHBondContact O-CB 3.5Å; V1210-R1214 PolarHBondContact O-N 3.41Å; V1210-R1214 VanDerWaalsContact O-N 3.15Å |
| 1211 | A | 90.2 | Very high | 90.8 | Very high | 60 Ų | 60 | 101 Ų | 101 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.5 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1207 E1208 E1209 R1214 A1215 | K1207-A1211 PolarHBondContact O-N 3.16Å; K1207-A1211 VanDerWaalsContact O-N 3.14Å; E1208-A1211 WeakPolarHBondContact O-CB 3.5Å; E1208-A1211 PolarHBondContact O-N 3.03Å; E1209-A1211 PolarHBondContact O-N 3.47Å; A1211-R1214 PolarHBondContact O-N 3.26Å; A1211-A1215 PolarHBondContact O-N 3Å; A1211-A1215 VanDerWaalsContact O-N 3.07Å |
| 1212 | L | 91.6 | Very high | 90.9 | Very high | 128 Ų | 128 | 98.4 Ų | 98.4 | 67% | 0.67 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -45.9 | 174.8 | -71.5 | 168.3 | 0 | 0 | 0 | 111.9 | E1208 E1209 R1214 A1215 H1216 | E1208-L1212 PolarHBondContact O-N 3.26Å; E1209-L1212 PolarHBondContact O-N 2.81Å; E1209-L1212 VanDerWaalsContact O-N 3.14Å; L1212-R1214 VanDerWaalsContact C-N 3.29Å; L1212-R1214 PolarHBondContact O-N 3.42Å; L1212-A1215 PolarHBondContact O-N 3.49Å; L1212-H1216 PolarHBondContact O-N 2.96Å |
| 1213 | L | 88.5 | Confident | 90.9 | Very high | 101 Ų | 101 | 97.5 Ų | 97.5 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -37.8 | 177.1 | -71.7 | 172.8 | 0 | 0 | 0 | 112 | E1209 H1216 E1217 | E1209-L1213 HydrophobicContact CG-CD1 4.07Å; E1209-L1213 HydrophobicContact CG-CG 4.41Å; E1209-L1213 WeakPolarHBondContact O-CG 3.27Å; E1209-L1213 PolarHBondContact O-N 3.13Å; L1213-H1216 PolarHBondContact O-N 3.42Å; L1213-E1217 PolarHBondContact O-N 3.33Å |
| 1214 | R | 92 | Very high | 90.9 | Very high | 152 Ų | 152 | 99.9 Ų | 99.9 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.9 | -44 | 175.5 | -172 | 174.4 | -59.8 | 156.2 | 8.4 | 112.6 | V1210 A1211 L1212 H1216 E1217 D1218 | V1210-R1214 WeakPolarHBondContact O-CB 3.5Å; V1210-R1214 PolarHBondContact O-N 3.41Å; V1210-R1214 VanDerWaalsContact O-N 3.15Å; A1211-R1214 PolarHBondContact O-N 3.26Å; L1212-R1214 VanDerWaalsContact C-N 3.29Å; L1212-R1214 PolarHBondContact O-N 3.42Å; R1214-H1216 VanDerWaalsContact C-N 3.26Å; R1214-H1216 PolarHBondContact O-N 3.42Å; R1214-E1217 WeakPolarHBondContact O-CB 3.48Å; R1214-E1217 PolarHBondContact O-N 3.09Å; R1214-E1217 VanDerWaalsContact O-N 3.1Å; R1214-D1218 PolarHBondContact O-N 3.46Å |
| 1215 | A | 90.4 | Very high | 90.9 | Very high | 60 Ų | 60 | 101.8 Ų | 101.8 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1211 L1212 D1218 E1219 | A1211-A1215 PolarHBondContact O-N 3Å; A1211-A1215 VanDerWaalsContact O-N 3.07Å; L1212-A1215 PolarHBondContact O-N 3.49Å; A1215-D1218 PolarHBondContact O-N 3.02Å; A1215-E1219 WeakPolarHBondContact O-CB 3.36Å; A1215-E1219 PolarHBondContact O-N 3.19Å |
| 1216 | H | 90.5 | Very high | 90.9 | Very high | 107 Ų | 107 | 102.3 Ų | 102.3 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 173.3 | -179.4 | -112.6 | 0 | 0 | 0 | 112.6 | L1212 L1213 R1214 E1219 N1220 | L1212-H1216 PolarHBondContact O-N 2.96Å; L1213-H1216 PolarHBondContact O-N 3.42Å; R1214-H1216 VanDerWaalsContact C-N 3.26Å; R1214-H1216 PolarHBondContact O-N 3.42Å; H1216-E1219 PolarHBondContact O-N 2.89Å; H1216-N1220 PolarHBondContact CD2-ND2 3.24Å; H1216-N1220 VanDerWaalsContact CD2-ND2 3.3Å; H1216-N1220 PolarHBondContact CE1-ND2 3.35Å; H1216-N1220 PolarHBondContact ND1-ND2 3.44Å; H1216-N1220 PolarHBondContact NE2-ND2 3.1Å; H1216-N1220 WeakPolarHBondContact O-CB 3.36Å; H1216-N1220 PolarHBondContact O-N 3.46Å; H1216-N1220 PolarHBondContact O-ND2 3.03Å |
| 1217 | E | 90.8 | Very high | 91 | Very high | 106 Ų | 106 | 104.8 Ų | 104.8 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 173.2 | -160.2 | -156.9 | 138.2 | 0 | 0 | 111.7 | L1213 R1214 N1220 R1221 | L1213-E1217 PolarHBondContact O-N 3.33Å; R1214-E1217 WeakPolarHBondContact O-CB 3.48Å; R1214-E1217 PolarHBondContact O-N 3.09Å; R1214-E1217 VanDerWaalsContact O-N 3.1Å; E1217-N1220 PolarHBondContact O-N 3.31Å; E1217-R1221 VanDerWaalsContact O-CB 3.32Å; E1217-R1221 WeakPolarHBondContact O-CB 3.37Å; E1217-R1221 PolarHBondContact O-N 3.37Å; E1217-R1221 IonicContact OE1-CZ 3.96Å; E1217-R1221 IonicContact OE1-NH2 3.77Å; E1217-R1221 PolarHBondContact OE1-NH2 3.26Å |
| 1218 | D | 91.2 | Very high | 91 | Very high | 82 Ų | 82 | 101.1 Ų | 101.1 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 177.9 | -73.7 | -39.8 | 0 | 0 | 0 | 112 | R1214 A1215 R1221 S1222 | R1214-D1218 PolarHBondContact O-N 3.46Å; A1215-D1218 PolarHBondContact O-N 3.02Å; D1218-R1221 PolarHBondContact O-N 3.47Å; D1218-R1221 IonicContact OD1-NH1 3.38Å; D1218-S1222 PolarHBondContact O-N 3.41Å |
| 1219 | E | 90.9 | Very high | 91.1 | Very high | 120 Ų | 120 | 98.8 Ų | 98.8 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -49.6 | 172.2 | -178 | 172.6 | -156.5 | 0 | 0 | 111.7 | A1215 H1216 R1221 S1222 L1223 | A1215-E1219 WeakPolarHBondContact O-CB 3.36Å; A1215-E1219 PolarHBondContact O-N 3.19Å; H1216-E1219 PolarHBondContact O-N 2.89Å; E1219-R1221 VanDerWaalsContact C-N 3.29Å; E1219-R1221 PolarHBondContact O-N 3.14Å; E1219-S1222 WeakPolarHBondContact O-CB 3.45Å; E1219-S1222 PolarHBondContact O-N 3.09Å; E1219-S1222 VanDerWaalsContact O-N 3.14Å; E1219-L1223 HydrophobicContact CG-CD1 4.4Å; E1219-L1223 WeakPolarHBondContact O-CG 3.36Å; E1219-L1223 PolarHBondContact O-N 3.49Å |
| 1220 | N | 91.5 | Very high | 91.1 | Very high | 44 Ų | 44 | 96.2 Ų | 96.2 | 24% | 0.235 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 176.8 | -81.7 | -82.4 | 0 | 0 | 0 | 111.7 | H1216 E1217 S1222 L1223 Y1224 | H1216-N1220 PolarHBondContact CD2-ND2 3.24Å; H1216-N1220 VanDerWaalsContact CD2-ND2 3.3Å; H1216-N1220 PolarHBondContact CE1-ND2 3.35Å; H1216-N1220 PolarHBondContact ND1-ND2 3.44Å; H1216-N1220 PolarHBondContact NE2-ND2 3.1Å; H1216-N1220 WeakPolarHBondContact O-CB 3.36Å; H1216-N1220 PolarHBondContact O-N 3.46Å; H1216-N1220 PolarHBondContact O-ND2 3.03Å; E1217-N1220 PolarHBondContact O-N 3.31Å; N1220-S1222 VanDerWaalsContact C-N 3.33Å; N1220-S1222 PolarHBondContact O-N 3.08Å; N1220-L1223 PolarHBondContact O-N 2.98Å; N1220-Y1224 HydrophobicContact CB-CD2 4.41Å; N1220-Y1224 HydrophobicContact CB-CE2 4.06Å; N1220-Y1224 WeakPolarHBondContact O-CD2 3.49Å; N1220-Y1224 PolarHBondContact O-N 2.85Å |
| 1221 | R | 89.5 | Confident | 91.2 | Very high | 140 Ų | 140 | 97 Ų | 97 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 175.4 | -167.9 | -177.2 | -64.9 | 178.1 | -0.2 | 111.8 | E1217 D1218 E1219 E1225 | E1217-R1221 VanDerWaalsContact O-CB 3.32Å; E1217-R1221 WeakPolarHBondContact O-CB 3.37Å; E1217-R1221 PolarHBondContact O-N 3.37Å; E1217-R1221 IonicContact OE1-CZ 3.96Å; E1217-R1221 IonicContact OE1-NH2 3.77Å; E1217-R1221 PolarHBondContact OE1-NH2 3.26Å; D1218-R1221 PolarHBondContact O-N 3.47Å; D1218-R1221 IonicContact OD1-NH1 3.38Å; E1219-R1221 VanDerWaalsContact C-N 3.29Å; E1219-R1221 PolarHBondContact O-N 3.14Å; R1221-E1225 WeakPolarHBondContact O-CB 3.45Å; R1221-E1225 PolarHBondContact O-N 2.86Å |
| 1222 | S | 92.4 | Very high | 91.4 | Very high | 75 Ų | 75 | 100 Ų | 100 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.2 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | D1218 E1219 N1220 T1226 | D1218-S1222 PolarHBondContact O-N 3.41Å; E1219-S1222 WeakPolarHBondContact O-CB 3.45Å; E1219-S1222 PolarHBondContact O-N 3.09Å; E1219-S1222 VanDerWaalsContact O-N 3.14Å; N1220-S1222 VanDerWaalsContact C-N 3.33Å; N1220-S1222 PolarHBondContact O-N 3.08Å; S1222-T1226 WeakPolarHBondContact O-CB 3.48Å; S1222-T1226 PolarHBondContact O-N 3.04Å; S1222-T1226 PolarHBondContact O-OG1 3.45Å |
| 1223 | L | 91.4 | Very high | 91.5 | Very high | 102 Ų | 102 | 97.3 Ų | 97.3 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 175.5 | -69.2 | 173.5 | 0 | 0 | 0 | 111.8 | E1219 N1220 E1225 T1226 E1227 | E1219-L1223 HydrophobicContact CG-CD1 4.4Å; E1219-L1223 WeakPolarHBondContact O-CG 3.36Å; E1219-L1223 PolarHBondContact O-N 3.49Å; N1220-L1223 PolarHBondContact O-N 2.98Å; L1223-E1225 PolarHBondContact O-N 2.99Å; L1223-T1226 WeakPolarHBondContact O-CB 3.37Å; L1223-T1226 PolarHBondContact O-N 3.02Å; L1223-E1227 PolarHBondContact O-N 3.13Å |
| 1224 | Y | 91.6 | Very high | 91.8 | Very high | 142 Ų | 142 | 97.4 Ų | 97.4 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.3 | -39.7 | 176.9 | -68.7 | -52.2 | 0 | 0 | 0 | 112.4 | N1220 T1226 E1227 I1228 | N1220-Y1224 HydrophobicContact CB-CD2 4.41Å; N1220-Y1224 HydrophobicContact CB-CE2 4.06Å; N1220-Y1224 WeakPolarHBondContact O-CD2 3.49Å; N1220-Y1224 PolarHBondContact O-N 2.85Å; Y1224-T1226 VanDerWaalsContact C-N 3.35Å; Y1224-E1227 PolarHBondContact O-N 3.38Å; Y1224-I1228 VanDerWaalsContact O-CB 3.27Å; Y1224-I1228 WeakPolarHBondContact O-CB 3.35Å; Y1224-I1228 WeakPolarHBondContact O-CD1 3.47Å; Y1224-I1228 WeakPolarHBondContact O-CG1 3.43Å; Y1224-I1228 PolarHBondContact O-N 3.41Å |
| 1225 | E | 92.7 | Very high | 91.8 | Very high | 118 Ų | 118 | 94.7 Ų | 94.7 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.6 | -37.4 | 175.1 | -179.2 | 153.3 | -164.9 | 0 | 0 | 111.9 | R1221 L1223 I1228 N1229 | R1221-E1225 WeakPolarHBondContact O-CB 3.45Å; R1221-E1225 PolarHBondContact O-N 2.86Å; L1223-E1225 PolarHBondContact O-N 2.99Å; E1225-I1228 PolarHBondContact O-N 3.07Å; E1225-N1229 WeakPolarHBondContact CG-ND2 3.38Å; E1225-N1229 VanDerWaalsContact O-CB 3.3Å; E1225-N1229 WeakPolarHBondContact O-CB 3.49Å; E1225-N1229 PolarHBondContact O-N 2.92Å; E1225-N1229 PolarHBondContact O-ND2 2.92Å; E1225-N1229 VanDerWaalsContact O-ND2 3.08Å |
| 1226 | T | 91 | Very high | 92 | Very high | 83 Ų | 83 | 98.3 Ų | 98.3 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 174.1 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | S1222 L1223 Y1224 S1230 | S1222-T1226 WeakPolarHBondContact O-CB 3.48Å; S1222-T1226 PolarHBondContact O-N 3.04Å; S1222-T1226 PolarHBondContact O-OG1 3.45Å; L1223-T1226 WeakPolarHBondContact O-CB 3.37Å; L1223-T1226 PolarHBondContact O-N 3.02Å; Y1224-T1226 VanDerWaalsContact C-N 3.35Å; T1226-S1230 WeakPolarHBondContact O-CB 3.35Å; T1226-S1230 PolarHBondContact O-N 3.21Å; T1226-S1230 PolarHBondContact O-OG 3.42Å |
| 1227 | E | 91.2 | Very high | 92.1 | Very high | 109 Ų | 109 | 96.4 Ų | 96.4 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -50.8 | 173.8 | -176.3 | 179.7 | -160.3 | 0 | 0 | 111.2 | L1223 Y1224 N1229 S1230 L1231 | L1223-E1227 PolarHBondContact O-N 3.13Å; Y1224-E1227 PolarHBondContact O-N 3.38Å; E1227-N1229 VanDerWaalsContact C-N 3.26Å; E1227-N1229 PolarHBondContact O-N 3.47Å; E1227-S1230 CarbonylContact O-C 3.58Å; E1227-S1230 WeakPolarHBondContact O-CA 3.42Å; E1227-S1230 WeakPolarHBondContact O-CB 3.42Å; E1227-S1230 PolarHBondContact O-N 2.93Å; E1227-L1231 HydrophobicContact CG-CD1 4Å; E1227-L1231 HydrophobicContact CG-CG 4.35Å; E1227-L1231 WeakPolarHBondContact O-CG 3.44Å; E1227-L1231 PolarHBondContact O-N 3.29Å |
| 1228 | I | 91.5 | Very high | 92.2 | Very high | 83 Ų | 83 | 94.7 Ų | 94.7 | 43% | 0.426 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.5 | -40.7 | 177.9 | -75.1 | 166.6 | 0 | 0 | 0 | 111 | Y1224 E1225 L1231 K1232 | Y1224-I1228 VanDerWaalsContact O-CB 3.27Å; Y1224-I1228 WeakPolarHBondContact O-CB 3.35Å; Y1224-I1228 WeakPolarHBondContact O-CD1 3.47Å; Y1224-I1228 WeakPolarHBondContact O-CG1 3.43Å; Y1224-I1228 PolarHBondContact O-N 3.41Å; E1225-I1228 PolarHBondContact O-N 3.07Å; I1228-L1231 PolarHBondContact O-N 3.11Å; I1228-K1232 HydrophobicContact CG2-CD 4.27Å; I1228-K1232 VanDerWaalsContact CG2-CE 3.42Å; I1228-K1232 WeakPolarHBondContact O-CB 3.43Å; I1228-K1232 VanDerWaalsContact O-CG 3.24Å; I1228-K1232 WeakPolarHBondContact O-CG 3.38Å; I1228-K1232 PolarHBondContact O-N 2.92Å |
| 1229 | N | 92.7 | Very high | 92.2 | Very high | 72 Ų | 72 | 93.7 Ų | 93.7 | 39% | 0.385 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.4 | -31.8 | 177.8 | -70.2 | -30.5 | 0 | 0 | 0 | 112.5 | E1225 E1227 K1232 S1233 | E1225-N1229 WeakPolarHBondContact CG-ND2 3.38Å; E1225-N1229 VanDerWaalsContact O-CB 3.3Å; E1225-N1229 WeakPolarHBondContact O-CB 3.49Å; E1225-N1229 PolarHBondContact O-N 2.92Å; E1225-N1229 PolarHBondContact O-ND2 2.92Å; E1225-N1229 VanDerWaalsContact O-ND2 3.08Å; E1227-N1229 VanDerWaalsContact C-N 3.26Å; E1227-N1229 PolarHBondContact O-N 3.47Å; N1229-K1232 PolarHBondContact OD1-NZ 3.34Å; N1229-S1233 PolarHBondContact O-N 3.48Å; N1229-S1233 VanDerWaalsContact O-N 3.11Å |
| 1230 | S | 93.3 | Very high | 92.4 | Very high | 63 Ų | 63 | 91.8 Ų | 91.8 | 44% | 0.441 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 170.8 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | T1226 E1227 S1233 I1234 | T1226-S1230 WeakPolarHBondContact O-CB 3.35Å; T1226-S1230 PolarHBondContact O-N 3.21Å; T1226-S1230 PolarHBondContact O-OG 3.42Å; E1227-S1230 CarbonylContact O-C 3.58Å; E1227-S1230 WeakPolarHBondContact O-CA 3.42Å; E1227-S1230 WeakPolarHBondContact O-CB 3.42Å; E1227-S1230 PolarHBondContact O-N 2.93Å; S1230-S1233 WeakPolarHBondContact O-CB 3.5Å; S1230-S1233 PolarHBondContact O-N 2.91Å; S1230-S1233 VanDerWaalsContact O-N 3.16Å; S1230-I1234 WeakPolarHBondContact O-CG1 3.36Å; S1230-I1234 PolarHBondContact O-N 3.36Å |
| 1231 | L | 91.1 | Very high | 92.5 | Very high | 91 Ų | 91 | 95.6 Ų | 95.6 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 175.4 | -69.8 | 172.1 | 0 | 0 | 0 | 111.8 | E1227 I1228 S1233 I1234 V1235 | E1227-L1231 HydrophobicContact CG-CD1 4Å; E1227-L1231 HydrophobicContact CG-CG 4.35Å; E1227-L1231 WeakPolarHBondContact O-CG 3.44Å; E1227-L1231 PolarHBondContact O-N 3.29Å; I1228-L1231 PolarHBondContact O-N 3.11Å; L1231-S1233 VanDerWaalsContact C-N 3.26Å; L1231-S1233 PolarHBondContact O-N 3.42Å; L1231-I1234 PolarHBondContact O-N 3.08Å; L1231-V1235 WeakPolarHBondContact O-CB 3.48Å; L1231-V1235 WeakPolarHBondContact O-CG2 3.46Å; L1231-V1235 PolarHBondContact O-N 3.02Å |
| 1232 | K | 93.7 | Very high | 92.6 | Very high | 122 Ų | 122 | 94.3 Ų | 94.3 | 53% | 0.53 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.4 | -41.2 | 171.8 | -74.1 | 169.1 | -167.8 | 159.9 | 0 | 111.8 | I1228 N1229 K1236 | I1228-K1232 HydrophobicContact CG2-CD 4.27Å; I1228-K1232 VanDerWaalsContact CG2-CE 3.42Å; I1228-K1232 WeakPolarHBondContact O-CB 3.43Å; I1228-K1232 VanDerWaalsContact O-CG 3.24Å; I1228-K1232 WeakPolarHBondContact O-CG 3.38Å; I1228-K1232 PolarHBondContact O-N 2.92Å; N1229-K1232 PolarHBondContact OD1-NZ 3.34Å; K1232-K1236 WeakPolarHBondContact O-CB 3.37Å; K1232-K1236 PolarHBondContact O-N 3.16Å |
| 1233 | S | 94.5 | Very high | 92.6 | Very high | 71 Ų | 71 | 93.7 Ų | 93.7 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 177.5 | -166 | 0 | 0 | 0 | 0 | 112.1 | N1229 S1230 L1231 K1236 V1237 | N1229-S1233 PolarHBondContact O-N 3.48Å; N1229-S1233 VanDerWaalsContact O-N 3.11Å; S1230-S1233 WeakPolarHBondContact O-CB 3.5Å; S1230-S1233 PolarHBondContact O-N 2.91Å; S1230-S1233 VanDerWaalsContact O-N 3.16Å; L1231-S1233 VanDerWaalsContact C-N 3.26Å; L1231-S1233 PolarHBondContact O-N 3.42Å; S1233-K1236 PolarHBondContact O-N 3.46Å; S1233-V1237 WeakPolarHBondContact O-CG2 3.28Å; S1233-V1237 PolarHBondContact O-N 3.16Å |
| 1234 | I | 93.3 | Very high | 92.7 | Very high | 103 Ų | 103 | 93 Ų | 93 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 177 | -66.3 | 164.4 | 0 | 0 | 0 | 111.5 | S1230 L1231 K1236 V1237 T1238 | S1230-I1234 WeakPolarHBondContact O-CG1 3.36Å; S1230-I1234 PolarHBondContact O-N 3.36Å; L1231-I1234 PolarHBondContact O-N 3.08Å; I1234-K1236 VanDerWaalsContact C-N 3.33Å; I1234-K1236 PolarHBondContact O-N 3.43Å; I1234-V1237 PolarHBondContact O-N 3.04Å; I1234-T1238 PolarHBondContact O-N 2.71Å; I1234-T1238 PolarHBondContact O-OG1 3.09Å |
| 1235 | V | 92.1 | Very high | 92.7 | Very high | 96 Ų | 96 | 91.7 Ų | 91.7 | 58% | 0.582 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -41.4 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | L1231 T1238 S1239 | L1231-V1235 WeakPolarHBondContact O-CB 3.48Å; L1231-V1235 WeakPolarHBondContact O-CG2 3.46Å; L1231-V1235 PolarHBondContact O-N 3.02Å; V1235-T1238 WeakPolarHBondContact CA-OG1 3.39Å; V1235-T1238 PolarHBondContact O-N 3.12Å; V1235-T1238 PolarHBondContact O-OG1 3.24Å; V1235-T1238 VanDerWaalsContact O-OG1 3.07Å; V1235-S1239 WeakPolarHBondContact O-CB 3.14Å; V1235-S1239 PolarHBondContact O-N 2.95Å |
| 1236 | K | 94.2 | Very high | 92.7 | Very high | 136 Ų | 136 | 88.9 Ų | 88.9 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.3 | -51.6 | 174.7 | -174.6 | -179.4 | 175.7 | -175.6 | 0 | 111.7 | K1232 S1233 I1234 T1238 S1239 D1240 | K1232-K1236 WeakPolarHBondContact O-CB 3.37Å; K1232-K1236 PolarHBondContact O-N 3.16Å; S1233-K1236 PolarHBondContact O-N 3.46Å; I1234-K1236 VanDerWaalsContact C-N 3.33Å; I1234-K1236 PolarHBondContact O-N 3.43Å; K1236-T1238 VanDerWaalsContact C-N 3.27Å; K1236-T1238 PolarHBondContact O-N 3.24Å; K1236-S1239 WeakPolarHBondContact O-CB 3.48Å; K1236-S1239 PolarHBondContact O-N 3.36Å; K1236-S1239 VanDerWaalsContact O-N 3.08Å; K1236-D1240 VanDerWaalsContact O-CG 3.27Å; K1236-D1240 PolarHBondContact O-N 3.26Å |
| 1237 | V | 94.1 | Very high | 92.8 | Very high | 67 Ų | 67 | 91.6 Ų | 91.6 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -37.8 | -179.8 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | S1233 I1234 H1241 | S1233-V1237 WeakPolarHBondContact O-CG2 3.28Å; S1233-V1237 PolarHBondContact O-N 3.16Å; I1234-V1237 PolarHBondContact O-N 3.04Å; V1237-H1241 VanDerWaalsContact CG1-CE1 3.49Å; V1237-H1241 WeakPolarHBondContact CG1-CE1 3.17Å; V1237-H1241 WeakPolarHBondContact O-CB 3.3Å; V1237-H1241 VanDerWaalsContact O-CG 3.23Å; V1237-H1241 PolarHBondContact O-N 3.41Å; V1237-H1241 PolarHBondContact O-ND1 3.13Å |
| 1238 | T | 91.4 | Very high | 92.8 | Very high | 69 Ų | 69 | 90.1 Ų | 90.1 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.5 | -35.8 | 174.7 | 44.5 | 0 | 0 | 0 | 0 | 113.1 | I1234 V1235 K1236 L1242 | I1234-T1238 PolarHBondContact O-N 2.71Å; I1234-T1238 PolarHBondContact O-OG1 3.09Å; V1235-T1238 WeakPolarHBondContact CA-OG1 3.39Å; V1235-T1238 PolarHBondContact O-N 3.12Å; V1235-T1238 PolarHBondContact O-OG1 3.24Å; V1235-T1238 VanDerWaalsContact O-OG1 3.07Å; K1236-T1238 VanDerWaalsContact C-N 3.27Å; K1236-T1238 PolarHBondContact O-N 3.24Å; T1238-L1242 WeakPolarHBondContact O-CB 3.41Å; T1238-L1242 VanDerWaalsContact O-CG 3.26Å; T1238-L1242 WeakPolarHBondContact O-CG 3.49Å; T1238-L1242 PolarHBondContact O-N 3.37Å |
| 1239 | S | 93.1 | Very high | 92.8 | Very high | 62 Ų | 62 | 91.2 Ų | 91.2 | 43% | 0.434 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 171.1 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | V1235 K1236 L1242 S1243 | V1235-S1239 WeakPolarHBondContact O-CB 3.14Å; V1235-S1239 PolarHBondContact O-N 2.95Å; K1236-S1239 WeakPolarHBondContact O-CB 3.48Å; K1236-S1239 PolarHBondContact O-N 3.36Å; K1236-S1239 VanDerWaalsContact O-N 3.08Å; S1239-L1242 PolarHBondContact O-N 2.96Å; S1239-S1243 WeakPolarHBondContact O-CB 3.24Å; S1239-S1243 PolarHBondContact O-N 3.1Å; S1239-S1243 PolarHBondContact O-OG 3.19Å |
| 1240 | D | 93.8 | Very high | 92.8 | Very high | 79 Ų | 79 | 94.5 Ų | 94.5 | 42% | 0.422 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 178.1 | -65.3 | -18.9 | 0 | 0 | 0 | 110.2 | K1236 S1243 T1244 | K1236-D1240 VanDerWaalsContact O-CG 3.27Å; K1236-D1240 PolarHBondContact O-N 3.26Å; D1240-S1243 WeakPolarHBondContact O-CB 3.36Å; D1240-S1243 PolarHBondContact O-N 2.95Å; D1240-T1244 PolarHBondContact O-N 3.33Å; D1240-T1244 PolarHBondContact O-OG1 2.95Å; D1240-T1244 VanDerWaalsContact O-OG1 3.07Å |
| 1241 | H | 93.5 | Very high | 92.6 | Very high | 124 Ų | 124 | 95 Ų | 95 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 173.7 | -72.3 | 152.7 | 0 | 0 | 0 | 113.6 | V1237 S1243 T1244 L1245 | V1237-H1241 VanDerWaalsContact CG1-CE1 3.49Å; V1237-H1241 WeakPolarHBondContact CG1-CE1 3.17Å; V1237-H1241 WeakPolarHBondContact O-CB 3.3Å; V1237-H1241 VanDerWaalsContact O-CG 3.23Å; V1237-H1241 PolarHBondContact O-N 3.41Å; V1237-H1241 PolarHBondContact O-ND1 3.13Å; H1241-S1243 VanDerWaalsContact C-N 3.3Å; H1241-S1243 PolarHBondContact O-N 2.76Å; H1241-T1244 PolarHBondContact O-N 3Å; H1241-L1245 WeakPolarHBondContact O-CB 3.43Å; H1241-L1245 PolarHBondContact O-N 3.4Å |
| 1242 | L | 92.3 | Very high | 92.6 | Very high | 114 Ų | 114 | 93 Ų | 93 | 60% | 0.597 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.1 | -37 | 177.1 | -77.4 | 168.5 | 0 | 0 | 0 | 111.6 | T1238 S1239 L1245 A1246 | T1238-L1242 WeakPolarHBondContact O-CB 3.41Å; T1238-L1242 VanDerWaalsContact O-CG 3.26Å; T1238-L1242 WeakPolarHBondContact O-CG 3.49Å; T1238-L1242 PolarHBondContact O-N 3.37Å; S1239-L1242 PolarHBondContact O-N 2.96Å; L1242-L1245 PolarHBondContact O-N 3.38Å; L1242-A1246 WeakPolarHBondContact O-CB 3.35Å; L1242-A1246 PolarHBondContact O-N 3.35Å |
| 1243 | S | 92.6 | Very high | 92.5 | Very high | 61 Ų | 61 | 91.5 Ų | 91.5 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -48.3 | 174.7 | -55 | 0 | 0 | 0 | 0 | 111.1 | S1239 D1240 H1241 L1245 A1246 E1247 | S1239-S1243 WeakPolarHBondContact O-CB 3.24Å; S1239-S1243 PolarHBondContact O-N 3.1Å; S1239-S1243 PolarHBondContact O-OG 3.19Å; D1240-S1243 WeakPolarHBondContact O-CB 3.36Å; D1240-S1243 PolarHBondContact O-N 2.95Å; H1241-S1243 VanDerWaalsContact C-N 3.3Å; H1241-S1243 PolarHBondContact O-N 2.76Å; S1243-L1245 VanDerWaalsContact C-N 3.3Å; S1243-L1245 PolarHBondContact O-N 2.98Å; S1243-A1246 PolarHBondContact O-N 3.49Å; S1243-A1246 VanDerWaalsContact O-N 3.15Å; S1243-E1247 PolarHBondContact O-N 3.46Å |
| 1244 | T | 93.5 | Very high | 92.4 | Very high | 87 Ų | 87 | 91 Ų | 91 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 174.9 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | D1240 H1241 S1248 | D1240-T1244 PolarHBondContact O-N 3.33Å; D1240-T1244 PolarHBondContact O-OG1 2.95Å; D1240-T1244 VanDerWaalsContact O-OG1 3.07Å; H1241-T1244 PolarHBondContact O-N 3Å; T1244-S1248 WeakPolarHBondContact O-CB 3.44Å; T1244-S1248 PolarHBondContact O-N 3.45Å |
| 1245 | L | 91.3 | Very high | 92.4 | Very high | 115 Ų | 115 | 91.6 Ų | 91.6 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 176.4 | -172.8 | 71.3 | 0 | 0 | 0 | 111.7 | H1241 L1242 S1243 S1248 L1249 | H1241-L1245 WeakPolarHBondContact O-CB 3.43Å; H1241-L1245 PolarHBondContact O-N 3.4Å; L1242-L1245 PolarHBondContact O-N 3.38Å; S1243-L1245 VanDerWaalsContact C-N 3.3Å; S1243-L1245 PolarHBondContact O-N 2.98Å; L1245-S1248 PolarHBondContact O-N 2.91Å; L1245-L1249 WeakPolarHBondContact O-CB 3.49Å; L1245-L1249 PolarHBondContact O-N 3.11Å |
| 1246 | A | 92.6 | Very high | 92.3 | Very high | 59 Ų | 59 | 93.5 Ų | 93.5 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1242 S1243 L1249 H1250 | L1242-A1246 WeakPolarHBondContact O-CB 3.35Å; L1242-A1246 PolarHBondContact O-N 3.35Å; S1243-A1246 PolarHBondContact O-N 3.49Å; S1243-A1246 VanDerWaalsContact O-N 3.15Å; A1246-L1249 PolarHBondContact O-N 2.83Å; A1246-H1250 WeakPolarHBondContact O-CB 3.42Å; A1246-H1250 PolarHBondContact O-N 2.97Å |
| 1247 | E | 92.3 | Very high | 92.1 | Very high | 141 Ų | 141 | 89.6 Ų | 89.6 | 66% | 0.659 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -46.8 | 173.1 | -70.9 | 178.2 | -180 | 0 | 0 | 111.9 | S1243 L1249 H1250 S1251 | S1243-E1247 PolarHBondContact O-N 3.46Å; E1247-L1249 PolarHBondContact O-N 2.96Å; E1247-H1250 PolarHBondContact O-N 2.97Å; E1247-S1251 WeakPolarHBondContact O-CB 3.41Å; E1247-S1251 PolarHBondContact O-N 3.19Å |
| 1248 | S | 92.4 | Very high | 92 | Very high | 77 Ų | 77 | 91.2 Ų | 91.2 | 54% | 0.538 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 177 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | T1244 L1245 S1251 A1252 | T1244-S1248 WeakPolarHBondContact O-CB 3.44Å; T1244-S1248 PolarHBondContact O-N 3.45Å; L1245-S1248 PolarHBondContact O-N 2.91Å; S1248-S1251 WeakPolarHBondContact O-CB 3.3Å; S1248-S1251 PolarHBondContact O-N 3.45Å; S1248-A1252 WeakPolarHBondContact O-CB 3.41Å; S1248-A1252 PolarHBondContact O-N 3.01Å |
| 1249 | L | 91.3 | Very high | 92 | Very high | 107 Ų | 107 | 92.4 Ų | 92.4 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 175.5 | -179.9 | 61.5 | 0 | 0 | 0 | 112.1 | L1245 A1246 E1247 A1252 L1253 | L1245-L1249 WeakPolarHBondContact O-CB 3.49Å; L1245-L1249 PolarHBondContact O-N 3.11Å; A1246-L1249 PolarHBondContact O-N 2.83Å; E1247-L1249 PolarHBondContact O-N 2.96Å; L1249-A1252 PolarHBondContact O-N 3.5Å; L1249-L1253 HydrophobicContact CD1-CD1 4.44Å; L1249-L1253 HydrophobicContact CD1-CG 4.45Å; L1249-L1253 HydrophobicContact CG-CD1 4.22Å; L1249-L1253 WeakPolarHBondContact O-CB 3.47Å; L1249-L1253 VanDerWaalsContact O-CG 3.29Å; L1249-L1253 WeakPolarHBondContact O-CG 3.46Å; L1249-L1253 PolarHBondContact O-N 3.47Å |
| 1250 | H | 91.6 | Very high | 91.8 | Very high | 141 Ų | 141 | 94 Ų | 94 | 65% | 0.653 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.8 | -41.7 | 176.4 | -163.8 | 82.1 | 0 | 0 | 0 | 111.6 | A1246 E1247 L1253 S1254 | A1246-H1250 WeakPolarHBondContact O-CB 3.42Å; A1246-H1250 PolarHBondContact O-N 2.97Å; E1247-H1250 PolarHBondContact O-N 2.97Å; H1250-L1253 PolarHBondContact O-N 3.48Å; H1250-S1254 PolarHBondContact O-N 3.07Å |
| 1251 | S | 90.9 | Very high | 91.5 | Very high | 72 Ų | 72 | 97.9 Ų | 97.9 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.4 | -51.9 | 173.2 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | E1247 S1248 L1253 S1254 E1255 | E1247-S1251 WeakPolarHBondContact O-CB 3.41Å; E1247-S1251 PolarHBondContact O-N 3.19Å; S1248-S1251 WeakPolarHBondContact O-CB 3.3Å; S1248-S1251 PolarHBondContact O-N 3.45Å; S1251-L1253 VanDerWaalsContact C-N 3.31Å; S1251-L1253 PolarHBondContact O-N 3.07Å; S1251-S1254 WeakPolarHBondContact O-CA 3.42Å; S1251-S1254 WeakPolarHBondContact O-CB 3.43Å; S1251-S1254 PolarHBondContact O-N 2.77Å; S1251-S1254 PolarHBondContact O-OG 2.84Å; S1251-E1255 PolarHBondContact O-N 2.93Å |
| 1252 | A | 90.6 | Very high | 91.4 | Very high | 49 Ų | 49 | 98.1 Ų | 98.1 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -33.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1248 L1249 K1256 | S1248-A1252 WeakPolarHBondContact O-CB 3.41Å; S1248-A1252 PolarHBondContact O-N 3.01Å; L1249-A1252 PolarHBondContact O-N 3.5Å; A1252-K1256 VanDerWaalsContact O-CB 3.3Å; A1252-K1256 WeakPolarHBondContact O-CB 3.3Å; A1252-K1256 PolarHBondContact O-N 3.18Å |
| 1253 | L | 92 | Very high | 91.3 | Very high | 92 Ų | 92 | 98.5 Ų | 98.5 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.8 | -36.4 | 172.2 | -75.3 | 170.6 | 0 | 0 | 0 | 112.1 | L1249 H1250 S1251 A1257 | L1249-L1253 HydrophobicContact CD1-CD1 4.44Å; L1249-L1253 HydrophobicContact CD1-CG 4.45Å; L1249-L1253 HydrophobicContact CG-CD1 4.22Å; L1249-L1253 WeakPolarHBondContact O-CB 3.47Å; L1249-L1253 VanDerWaalsContact O-CG 3.29Å; L1249-L1253 WeakPolarHBondContact O-CG 3.46Å; L1249-L1253 PolarHBondContact O-N 3.47Å; H1250-L1253 PolarHBondContact O-N 3.48Å; S1251-L1253 VanDerWaalsContact C-N 3.31Å; S1251-L1253 PolarHBondContact O-N 3.07Å; L1253-A1257 PolarHBondContact O-N 3.23Å |
| 1254 | S | 91.3 | Very high | 91.2 | Very high | 59 Ų | 59 | 99.2 Ų | 99.2 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 174.9 | 83.9 | 0 | 0 | 0 | 0 | 112 | H1250 S1251 A1257 I1258 | H1250-S1254 PolarHBondContact O-N 3.07Å; S1251-S1254 WeakPolarHBondContact O-CA 3.42Å; S1251-S1254 WeakPolarHBondContact O-CB 3.43Å; S1251-S1254 PolarHBondContact O-N 2.77Å; S1251-S1254 PolarHBondContact O-OG 2.84Å; S1254-A1257 WeakPolarHBondContact O-CB 3.44Å; S1254-A1257 PolarHBondContact O-N 3Å; S1254-A1257 VanDerWaalsContact O-N 3.14Å; S1254-I1258 WeakPolarHBondContact O-CG1 3.4Å; S1254-I1258 PolarHBondContact O-N 3.35Å; S1254-I1258 VanDerWaalsContact O-N 3.08Å |
| 1255 | E | 92.5 | Very high | 90.9 | Very high | 116 Ų | 116 | 100.8 Ų | 100.8 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 174.8 | -174.3 | -176.8 | -171.4 | 0 | 0 | 111.1 | S1251 A1257 I1258 L1259 | S1251-E1255 PolarHBondContact O-N 2.93Å; E1255-A1257 PolarHBondContact O-N 3Å; E1255-I1258 WeakPolarHBondContact O-CA 3.32Å; E1255-I1258 WeakPolarHBondContact O-CB 3.3Å; E1255-I1258 PolarHBondContact O-N 3Å; E1255-L1259 HydrophobicContact CG-CD1 4.07Å; E1255-L1259 HydrophobicContact CG-CG 4.43Å; E1255-L1259 WeakPolarHBondContact O-CG 3.5Å; E1255-L1259 PolarHBondContact O-N 3.15Å |
| 1256 | K | 91.5 | Very high | 90.8 | Very high | 137 Ų | 137 | 99.9 Ų | 99.9 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -55 | -39.8 | 172.9 | 179.1 | -177 | 175.6 | -176.6 | 0 | 112 | A1252 I1258 Q1260 | A1252-K1256 VanDerWaalsContact O-CB 3.3Å; A1252-K1256 WeakPolarHBondContact O-CB 3.3Å; A1252-K1256 PolarHBondContact O-N 3.18Å; K1256-I1258 VanDerWaalsContact C-N 3.34Å; K1256-Q1260 WeakPolarHBondContact O-CB 3.5Å; K1256-Q1260 PolarHBondContact O-N 3.18Å |
| 1257 | A | 89.5 | Confident | 90.5 | Very high | 53 Ų | 53 | 103.3 Ų | 103.3 | 44% | 0.438 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.6 | -31.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L1253 S1254 E1255 K1261 | L1253-A1257 PolarHBondContact O-N 3.23Å; S1254-A1257 WeakPolarHBondContact O-CB 3.44Å; S1254-A1257 PolarHBondContact O-N 3Å; S1254-A1257 VanDerWaalsContact O-N 3.14Å; E1255-A1257 PolarHBondContact O-N 3Å; A1257-K1261 WeakPolarHBondContact O-CG 3.38Å; A1257-K1261 PolarHBondContact O-N 3.39Å |
| 1258 | I | 91.7 | Very high | 90.1 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.5 | -54.4 | 172.5 | -64.7 | 164.6 | 0 | 0 | 0 | 110 | S1254 E1255 K1256 Q1260 K1261 E1262 | S1254-I1258 WeakPolarHBondContact O-CG1 3.4Å; S1254-I1258 PolarHBondContact O-N 3.35Å; S1254-I1258 VanDerWaalsContact O-N 3.08Å; E1255-I1258 WeakPolarHBondContact O-CA 3.32Å; E1255-I1258 WeakPolarHBondContact O-CB 3.3Å; E1255-I1258 PolarHBondContact O-N 3Å; K1256-I1258 VanDerWaalsContact C-N 3.34Å; I1258-Q1260 PolarHBondContact O-N 2.85Å; I1258-K1261 WeakPolarHBondContact O-CA 3.49Å; I1258-K1261 WeakPolarHBondContact O-CB 3.11Å; I1258-K1261 PolarHBondContact O-N 3.39Å; I1258-E1262 PolarHBondContact O-N 3.03Å |
| 1259 | L | 90.7 | Very high | 89.7 | Confident | 94 Ų | 94 | 104.6 Ų | 104.6 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58 | -36.3 | 179.1 | -66.7 | 172.5 | 0 | 0 | 0 | 112.1 | E1255 E1262 F1263 | E1255-L1259 HydrophobicContact CG-CD1 4.07Å; E1255-L1259 HydrophobicContact CG-CG 4.43Å; E1255-L1259 WeakPolarHBondContact O-CG 3.5Å; E1255-L1259 PolarHBondContact O-N 3.15Å; L1259-E1262 PolarHBondContact O-N 3Å; L1259-F1263 WeakPolarHBondContact O-CB 3.37Å; L1259-F1263 PolarHBondContact O-N 3.48Å |
| 1260 | Q | 90 | Very high | 89.3 | Confident | 96 Ų | 96 | 104.4 Ų | 104.4 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -33.8 | 175.7 | -173.9 | 60.4 | 87.7 | 0 | 0 | 112.8 | K1256 I1258 N1264 | K1256-Q1260 WeakPolarHBondContact O-CB 3.5Å; K1256-Q1260 PolarHBondContact O-N 3.18Å; I1258-Q1260 PolarHBondContact O-N 2.85Å; Q1260-N1264 PolarHBondContact NE2-OD1 2.86Å; Q1260-N1264 WeakPolarHBondContact O-CB 3.44Å; Q1260-N1264 PolarHBondContact O-N 3.13Å; Q1260-N1264 VanDerWaalsContact O-N 3.14Å; Q1260-N1264 PolarHBondContact O-ND2 3.42Å; Q1260-N1264 VanDerWaalsContact O-ND2 3.13Å |
| 1261 | K | 88.3 | Confident | 88.7 | Confident | 161 Ų | 161 | 103.5 Ų | 103.5 | 70% | 0.7 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.3 | -45.4 | 171.5 | -75.7 | 173.1 | 177.7 | 175.5 | 0 | 110.9 | A1257 I1258 N1264 H1265 | A1257-K1261 WeakPolarHBondContact O-CG 3.38Å; A1257-K1261 PolarHBondContact O-N 3.39Å; I1258-K1261 WeakPolarHBondContact O-CA 3.49Å; I1258-K1261 WeakPolarHBondContact O-CB 3.11Å; I1258-K1261 PolarHBondContact O-N 3.39Å; K1261-N1264 PolarHBondContact O-N 3.27Å; K1261-H1265 PolarHBondContact O-N 3.49Å |
| 1262 | E | 91.2 | Very high | 88 | Confident | 129 Ų | 129 | 101.7 Ų | 101.7 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.7 | -45 | 178 | -64.9 | -153.6 | 143.9 | 0 | 0 | 112.3 | I1258 L1259 N1264 H1265 L1266 | I1258-E1262 PolarHBondContact O-N 3.03Å; L1259-E1262 PolarHBondContact O-N 3Å; E1262-N1264 VanDerWaalsContact C-N 3.31Å; E1262-N1264 PolarHBondContact O-N 3.25Å; E1262-H1265 WeakPolarHBondContact O-CB 3.32Å; E1262-H1265 PolarHBondContact O-N 2.94Å; E1262-H1265 VanDerWaalsContact O-N 3.14Å; E1262-L1266 WeakPolarHBondContact O-CB 3.3Å; E1262-L1266 PolarHBondContact O-N 3.31Å |
| 1263 | F | 90.4 | Very high | 87.4 | Confident | 122 Ų | 122 | 104.4 Ų | 104.4 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58 | -43.3 | 174.8 | 179.3 | -95.3 | 0 | 0 | 0 | 112 | L1259 L1266 K1267 | L1259-F1263 WeakPolarHBondContact O-CB 3.37Å; L1259-F1263 PolarHBondContact O-N 3.48Å; F1263-L1266 PolarHBondContact O-N 2.88Å; F1263-K1267 HydrophobicContact CE1-CD 4.2Å; F1263-K1267 VanDerWaalsContact O-CB 3.23Å; F1263-K1267 WeakPolarHBondContact O-CB 3.32Å; F1263-K1267 PolarHBondContact O-N 2.99Å |
| 1264 | N | 89.5 | Confident | 86.3 | Confident | 76 Ų | 76 | 105.5 Ų | 105.5 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 177 | -73.7 | -23.4 | 0 | 0 | 0 | 112.3 | Q1260 K1261 E1262 S1268 | Q1260-N1264 PolarHBondContact NE2-OD1 2.86Å; Q1260-N1264 WeakPolarHBondContact O-CB 3.44Å; Q1260-N1264 PolarHBondContact O-N 3.13Å; Q1260-N1264 VanDerWaalsContact O-N 3.14Å; Q1260-N1264 PolarHBondContact O-ND2 3.42Å; Q1260-N1264 VanDerWaalsContact O-ND2 3.13Å; K1261-N1264 PolarHBondContact O-N 3.27Å; E1262-N1264 VanDerWaalsContact C-N 3.31Å; E1262-N1264 PolarHBondContact O-N 3.25Å; N1264-S1268 WeakPolarHBondContact O-CB 3.34Å; N1264-S1268 PolarHBondContact O-N 3.42Å; N1264-S1268 PolarHBondContact O-OG 2.92Å |
| 1265 | H | 87.6 | Confident | 85.3 | Confident | 120 Ų | 120 | 108.4 Ų | 108.4 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.1 | -45.5 | 172.9 | -175.9 | 87.8 | 0 | 0 | 0 | 111.7 | K1261 E1262 S1268 R1269 | K1261-H1265 PolarHBondContact O-N 3.49Å; E1262-H1265 WeakPolarHBondContact O-CB 3.32Å; E1262-H1265 PolarHBondContact O-N 2.94Å; E1262-H1265 VanDerWaalsContact O-N 3.14Å; H1265-S1268 WeakPolarHBondContact O-CB 3.42Å; H1265-S1268 PolarHBondContact O-N 3.38Å; H1265-R1269 WeakPolarHBondContact NE2-CD 3.38Å; H1265-R1269 PolarHBondContact O-N 2.95Å |
| 1266 | L | 89 | Confident | 83.9 | Confident | 95 Ų | 95 | 109.4 Ų | 109.4 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.8 | 178.7 | 59.9 | 0 | 0 | 0 | 111.6 | E1262 F1263 S1268 R1269 I1270 | E1262-L1266 WeakPolarHBondContact O-CB 3.3Å; E1262-L1266 PolarHBondContact O-N 3.31Å; F1263-L1266 PolarHBondContact O-N 2.88Å; L1266-S1268 VanDerWaalsContact C-N 3.26Å; L1266-S1268 PolarHBondContact O-N 2.88Å; L1266-R1269 WeakPolarHBondContact O-CB 3.49Å; L1266-R1269 PolarHBondContact O-N 2.96Å; L1266-R1269 VanDerWaalsContact O-N 3.16Å; L1266-I1270 HydrophobicContact CD1-CD1 4.1Å; L1266-I1270 HydrophobicContact CD1-CG1 4.36Å; L1266-I1270 HydrophobicContact CG-CD1 3.99Å; L1266-I1270 WeakPolarHBondContact O-CG1 3.4Å; L1266-I1270 PolarHBondContact O-N 3.46Å |
| 1267 | K | 86.3 | Confident | 82.3 | Confident | 131 Ų | 131 | 109.8 Ų | 109.8 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.2 | -40.9 | 173.8 | -176.5 | 178.2 | 178.6 | -178.2 | 0 | 111.7 | F1263 I1270 H1271 | F1263-K1267 HydrophobicContact CE1-CD 4.2Å; F1263-K1267 VanDerWaalsContact O-CB 3.23Å; F1263-K1267 WeakPolarHBondContact O-CB 3.32Å; F1263-K1267 PolarHBondContact O-N 2.99Å; K1267-I1270 PolarHBondContact O-N 3.07Å; K1267-H1271 WeakPolarHBondContact O-CB 3.18Å; K1267-H1271 PolarHBondContact O-N 2.97Å |
| 1268 | S | 83.7 | Confident | 80.7 | Confident | 80 Ų | 80 | 117.4 Ų | 117.4 | 56% | 0.559 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.8 | -41.7 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | N1264 H1265 L1266 H1271 G1272 | N1264-S1268 WeakPolarHBondContact O-CB 3.34Å; N1264-S1268 PolarHBondContact O-N 3.42Å; N1264-S1268 PolarHBondContact O-OG 2.92Å; H1265-S1268 WeakPolarHBondContact O-CB 3.42Å; H1265-S1268 PolarHBondContact O-N 3.38Å; L1266-S1268 VanDerWaalsContact C-N 3.26Å; L1266-S1268 PolarHBondContact O-N 2.88Å; S1268-H1271 PolarHBondContact O-N 3.27Å; S1268-G1272 PolarHBondContact O-N 3.33Å |
| 1269 | R | 84.5 | Confident | 78.8 | Confident | 166 Ų | 166 | 119.4 Ų | 119.4 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.6 | -45.8 | 172.6 | -80.3 | 179.8 | 59.4 | 145.6 | -3.3 | 112 | H1265 L1266 G1272 Q1273 | H1265-R1269 WeakPolarHBondContact NE2-CD 3.38Å; H1265-R1269 PolarHBondContact O-N 2.95Å; L1266-R1269 WeakPolarHBondContact O-CB 3.49Å; L1266-R1269 PolarHBondContact O-N 2.96Å; L1266-R1269 VanDerWaalsContact O-N 3.16Å; R1269-G1272 PolarHBondContact O-N 3.34Å; R1269-Q1273 WeakPolarHBondContact O-CG 3.44Å; R1269-Q1273 PolarHBondContact O-N 3.39Å |
| 1270 | I | 83.4 | Confident | 76.6 | Confident | 102 Ų | 102 | 123.4 Ų | 123.4 | 52% | 0.523 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -44.9 | 178.3 | -67.4 | 167.1 | 0 | 0 | 0 | 110.4 | L1266 K1267 G1272 Q1273 L1274 | L1266-I1270 HydrophobicContact CD1-CD1 4.1Å; L1266-I1270 HydrophobicContact CD1-CG1 4.36Å; L1266-I1270 HydrophobicContact CG-CD1 3.99Å; L1266-I1270 WeakPolarHBondContact O-CG1 3.4Å; L1266-I1270 PolarHBondContact O-N 3.46Å; K1267-I1270 PolarHBondContact O-N 3.07Å; I1270-G1272 PolarHBondContact O-N 2.89Å; I1270-Q1273 PolarHBondContact O-N 3.3Å; I1270-L1274 WeakPolarHBondContact O-CB 3.28Å; I1270-L1274 PolarHBondContact O-N 3.46Å |
| 1271 | H | 77.6 | Confident | 74.5 | Confident | 123 Ų | 123 | 123.1 Ų | 123.1 | 57% | 0.569 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.6 | -46.4 | 177.3 | -167.3 | 80.3 | 0 | 0 | 0 | 112.1 | K1267 S1268 Q1273 L1274 Q1275 | K1267-H1271 WeakPolarHBondContact O-CB 3.18Å; K1267-H1271 PolarHBondContact O-N 2.97Å; S1268-H1271 PolarHBondContact O-N 3.27Å; H1271-Q1273 VanDerWaalsContact C-N 3.35Å; H1271-Q1273 PolarHBondContact O-N 2.92Å; H1271-L1274 PolarHBondContact O-N 3.34Å; H1271-Q1275 WeakPolarHBondContact O-CB 3.15Å; H1271-Q1275 PolarHBondContact O-N 3.18Å |
| 1272 | G | 77.3 | Confident | 72 | Confident | 33 Ų | 33 | 127.6 Ų | 127.6 | 34% | 0.34 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -35.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1268 R1269 I1270 K1276 | S1268-G1272 PolarHBondContact O-N 3.33Å; R1269-G1272 PolarHBondContact O-N 3.34Å; I1270-G1272 PolarHBondContact O-N 2.89Å; G1272-K1276 PolarHBondContact O-N 2.65Å; G1272-K1276 VanDerWaalsContact O-N 3.16Å |
| 1273 | Q | 77.4 | Confident | 69.5 | Low | 107 Ų | 107 | 128 Ų | 128 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.5 | -46.6 | 172.3 | -70.2 | -67.5 | 1.1 | 0 | 0 | 111.6 | R1269 I1270 H1271 Q1275 K1276 F1277 | R1269-Q1273 WeakPolarHBondContact O-CG 3.44Å; R1269-Q1273 PolarHBondContact O-N 3.39Å; I1270-Q1273 PolarHBondContact O-N 3.3Å; H1271-Q1273 VanDerWaalsContact C-N 3.35Å; H1271-Q1273 PolarHBondContact O-N 2.92Å; Q1273-Q1275 VanDerWaalsContact C-N 3.26Å; Q1273-Q1275 PolarHBondContact O-N 3.05Å; Q1273-K1276 WeakPolarHBondContact O-CB 3.48Å; Q1273-K1276 PolarHBondContact O-N 3.35Å; Q1273-K1276 VanDerWaalsContact O-N 3.1Å; Q1273-F1277 VanDerWaalsContact O-CD2 3.31Å; Q1273-F1277 WeakPolarHBondContact O-CD2 3.49Å; Q1273-F1277 PolarHBondContact O-N 2.99Å |
| 1274 | L | 69.6 | Low | 66.9 | Low | 114 Ų | 114 | 130.6 Ų | 130.6 | 60% | 0.597 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.3 | -38.5 | 178.5 | -161.3 | 75.5 | 0 | 0 | 0 | 111.6 | I1270 H1271 F1277 R1278 | I1270-L1274 WeakPolarHBondContact O-CB 3.28Å; I1270-L1274 PolarHBondContact O-N 3.46Å; H1271-L1274 PolarHBondContact O-N 3.34Å; L1274-F1277 PolarHBondContact O-N 2.91Å; L1274-R1278 PolarHBondContact O-N 3.31Å; L1274-R1278 VanDerWaalsContact O-N 3.08Å |
| 1275 | Q | 68.5 | Low | 64.3 | Low | 121 Ų | 121 | 135.4 Ų | 135.4 | 57% | 0.565 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.2 | -34.7 | 176.1 | -165.7 | 172.5 | 15.1 | 0 | 0 | 112.6 | H1271 Q1273 | H1271-Q1275 WeakPolarHBondContact O-CB 3.15Å; H1271-Q1275 PolarHBondContact O-N 3.18Å; Q1273-Q1275 VanDerWaalsContact C-N 3.26Å; Q1273-Q1275 PolarHBondContact O-N 3.05Å |
| 1276 | K | 64 | Low | 61.8 | Low | 136 Ų | 136 | 140.3 Ų | 140.3 | 59% | 0.591 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.4 | -50.1 | 169.6 | -77.8 | -174.9 | 175.2 | -172.2 | 0 | 111.9 | G1272 Q1273 R1278 L1279 F1280 | G1272-K1276 PolarHBondContact O-N 2.65Å; G1272-K1276 VanDerWaalsContact O-N 3.16Å; Q1273-K1276 WeakPolarHBondContact O-CB 3.48Å; Q1273-K1276 PolarHBondContact O-N 3.35Å; Q1273-K1276 VanDerWaalsContact O-N 3.1Å; K1276-R1278 PolarHBondContact O-N 3.25Å; K1276-L1279 PolarHBondContact O-N 3.36Å; K1276-L1279 VanDerWaalsContact O-N 3.16Å; K1276-F1280 WeakPolarHBondContact O-CD2 3.44Å |
| 1277 | F | 58.7 | Low | 59 | Low | 146 Ų | 146 | 139.6 Ų | 139.6 | 64% | 0.64 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -60 | -33.7 | 179.8 | -81.4 | -73.3 | 0 | 0 | 0 | 113.2 | Q1273 L1274 L1279 F1280 T1281 | Q1273-F1277 VanDerWaalsContact O-CD2 3.31Å; Q1273-F1277 WeakPolarHBondContact O-CD2 3.49Å; Q1273-F1277 PolarHBondContact O-N 2.99Å; L1274-F1277 PolarHBondContact O-N 2.91Å; F1277-L1279 PolarHBondContact O-N 3.09Å; F1277-F1280 PolarHBondContact O-N 3.1Å; F1277-T1281 PolarHBondContact O-OG1 3.42Å; F1277-T1281 VanDerWaalsContact O-OG1 3.12Å |
| 1278 | R | 55.6 | Low | 56.4 | Low | 213 Ų | 213 | 140.3 Ų | 140.3 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -18.5 | 179.1 | -141.8 | 179.4 | -149.6 | 169.5 | 7 | 114.6 | L1274 K1276 | L1274-R1278 PolarHBondContact O-N 3.31Å; L1274-R1278 VanDerWaalsContact O-N 3.08Å; K1276-R1278 PolarHBondContact O-N 3.25Å |
| 1279 | L | 50.6 | Low | 54 | Low | 142 Ų | 142 | 142.3 Ų | 142.3 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -17.5 | 178.3 | -76.5 | 165.2 | 0 | 0 | 0 | 113.7 | K1276 F1277 | K1276-L1279 PolarHBondContact O-N 3.36Å; K1276-L1279 VanDerWaalsContact O-N 3.16Å; F1277-L1279 PolarHBondContact O-N 3.09Å |
| 1280 | F | 46.2 | Very low | 51.7 | Low | 178 Ų | 178 | 141.7 Ų | 141.7 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -109.1 | 13.3 | -170.4 | -75.9 | -76.1 | 0 | 0 | 0 | 114.9 | K1276 F1277 | K1276-F1280 WeakPolarHBondContact O-CD2 3.44Å; F1277-F1280 PolarHBondContact O-N 3.1Å |
| 1281 | T | 44.6 | Very low | 49.7 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 56% | 0.558 | 71% | 0.708 | S | S | * | * | trans | -124.5 | 64.1 | -169.9 | 38.6 | 0 | 0 | 0 | 0 | 114 | F1277 L1283 | F1277-T1281 PolarHBondContact O-OG1 3.42Å; F1277-T1281 VanDerWaalsContact O-OG1 3.12Å; T1281-L1283 HydrophobicContact CG2-CD1 3.94Å; T1281-L1283 PolarHBondContact O-N 2.96Å | ||
| 1282 | R | 35.7 | Very low | 47.7 | Very low | 254 Ų | 254 | 143.3 Ų | 143.3 | 96% | 0.958 | 72% | 0.715 | S | S | * | * | trans | -79.5 | 96.8 | 147.9 | -76.5 | -171.7 | 179.3 | -168.8 | 1 | 107.6 | ||||
| 1283 | L | 39.1 | Very low | 45.9 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 73% | 0.728 | 73% | 0.731 | S | S | * | * | trans | -103.4 | 123.6 | 173.2 | -98.9 | 70.6 | 0 | 0 | 0 | 110.5 | T1281 | T1281-L1283 HydrophobicContact CG2-CD1 3.94Å; T1281-L1283 PolarHBondContact O-N 2.96Å | ||
| 1284 | E | 35.7 | Very low | 44.1 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -82.8 | 131.8 | 165.9 | -65.5 | 180 | 159 | 0 | 0 | 109.1 | Y1286 | E1284-Y1286 PolarHBondContact O-N 3.34Å; E1284-Y1286 VanDerWaalsContact O-N 3.13Å | ||
| 1285 | L | 34.8 | Very low | 42.9 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | -85.2 | 83.1 | -172.9 | -78 | 158.5 | 0 | 0 | 0 | 111.4 | ||||
| 1286 | Y | 35.6 | Very low | 41.8 | Very low | 223 Ų | 223 | 146.2 Ų | 146.2 | 88% | 0.875 | 74% | 0.737 | S | S | * | * | trans | -82 | 124.8 | 159.5 | -93.9 | -88.8 | 0 | 0 | 0 | 110.3 | E1284 | E1284-Y1286 PolarHBondContact O-N 3.34Å; E1284-Y1286 VanDerWaalsContact O-N 3.13Å | ||
| 1287 | G | 29.7 | Very low | 40.6 | Very low | 80 Ų | 80 | 147.4 Ų | 147.4 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -88.6 | 127.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1288 | E | 31.1 | Very low | 39.9 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | trans | -141.7 | 115 | 154 | -155.8 | -169.7 | -140.8 | 0 | 0 | 109.2 | K1290 | E1288-K1290 VanDerWaalsContact C-N 3.26Å; E1288-K1290 PolarHBondContact O-N 3.46Å; E1288-K1290 IonicContact OE1-NZ 2.7Å; E1288-K1290 IonicContact OE2-NZ 3.13Å; E1288-K1290 PolarHBondContact OE2-NZ 3.14Å | ||
| 1289 | S | 33.6 | Very low | 39.3 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | -82.3 | 61.3 | -168.8 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | V1291 | S1289-V1291 PolarHBondContact O-N 3.45Š| ||
| 1290 | K | 37.6 | Very low | 38.8 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 67% | 0.665 | 72% | 0.717 | S | S | * | * | trans | -73 | 116.2 | 168.7 | -75.5 | -170.5 | 169.7 | 93.5 | 0 | 109.5 | E1288 V1292 | E1288-K1290 VanDerWaalsContact C-N 3.26Å; E1288-K1290 PolarHBondContact O-N 3.46Å; E1288-K1290 IonicContact OE1-NZ 2.7Å; E1288-K1290 IonicContact OE2-NZ 3.13Å; E1288-K1290 PolarHBondContact OE2-NZ 3.14Å; K1290-V1292 PolarHBondContact O-N 3.41Å; K1290-V1292 VanDerWaalsContact O-N 3.09Å | ||
| 1291 | V | 39.8 | Very low | 38.7 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 85% | 0.848 | 71% | 0.707 | S | S | * | * | trans | -55.1 | 112.5 | -178.1 | 178.1 | 0 | 0 | 0 | 0 | 110 | S1289 | S1289-V1291 PolarHBondContact O-N 3.45Š| ||
| 1292 | V | 37.4 | Very low | 39 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 72% | 0.715 | 71% | 0.714 | S | S | * | * | trans | -70.1 | 136.8 | 177.9 | 178 | 0 | 0 | 0 | 0 | 109.4 | K1290 Q1294 | K1290-V1292 PolarHBondContact O-N 3.41Å; K1290-V1292 VanDerWaalsContact O-N 3.09Å; V1292-Q1294 PolarHBondContact O-N 2.96Å | ||
| 1293 | N | 38.1 | Very low | 39.7 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | trans | -55 | 130.1 | -170.9 | -128.7 | -25.4 | 0 | 0 | 0 | 112.5 | S1295 S1296 | N1293-S1295 PolarHBondContact O-N 2.94Å; N1293-S1296 PolarHBondContact O-N 3.21Å | ||
| 1294 | Q | 40.5 | Very low | 39.8 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -13.5 | -176.3 | -74.3 | -179 | -23.7 | 0 | 0 | 114.1 | V1292 S1296 F1297 | V1292-Q1294 PolarHBondContact O-N 2.96Å; Q1294-S1296 PolarHBondContact O-N 2.91Å; Q1294-S1296 VanDerWaalsContact O-N 3.12Å; Q1294-F1297 PolarHBondContact O-N 3.29Å |
| 1295 | S | 44.6 | Very low | 40.2 | Very low | 80 Ų | 80 | 117.2 Ų | 117.2 | 56% | 0.559 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -56.8 | -24.8 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | N1293 F1297 | N1293-S1295 PolarHBondContact O-N 2.94Å; S1295-F1297 VanDerWaalsContact C-N 3.34Å; S1295-F1297 PolarHBondContact O-N 3.2Å |
| 1296 | S | 44.2 | Very low | 40.6 | Very low | 67 Ų | 67 | 114.8 Ų | 114.8 | 47% | 0.469 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -68.6 | -26.3 | 175.6 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | N1293 Q1294 | N1293-S1296 PolarHBondContact O-N 3.21Å; Q1294-S1296 PolarHBondContact O-N 2.91Å; Q1294-S1296 VanDerWaalsContact O-N 3.12Å |
| 1297 | F | 40.1 | Very low | 41.1 | Very low | 162 Ų | 162 | 109.4 Ų | 109.4 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.7 | -36 | 178.3 | -81.8 | -89.2 | 0 | 0 | 0 | 112.5 | Q1294 S1295 L1299 L1300 A1301 | Q1294-F1297 PolarHBondContact O-N 3.29Å; S1295-F1297 VanDerWaalsContact C-N 3.34Å; S1295-F1297 PolarHBondContact O-N 3.2Å; F1297-L1299 VanDerWaalsContact C-N 3.3Å; F1297-L1299 PolarHBondContact O-N 3.35Å; F1297-L1300 PolarHBondContact O-N 3.03Å; F1297-A1301 PolarHBondContact O-N 3.08Å; F1297-A1301 VanDerWaalsContact O-N 3.14Å |
| 1298 | G | 42.7 | Very low | 41.8 | Very low | 49 Ų | 49 | 112.7 Ų | 112.7 | 51% | 0.505 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61.4 | -35.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1300 A1302 | G1298-L1300 PolarHBondContact O-N 2.92Å; G1298-A1302 PolarHBondContact O-N 3.35Å; G1298-A1302 VanDerWaalsContact O-N 3.11Å |
| 1299 | L | 43.8 | Very low | 42.3 | Very low | 130 Ų | 130 | 113.5 Ų | 113.5 | 68% | 0.681 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.1 | -25.4 | 179.7 | -72.6 | 169.8 | 0 | 0 | 0 | 113.8 | F1297 | F1297-L1299 VanDerWaalsContact C-N 3.3Å; F1297-L1299 PolarHBondContact O-N 3.35Å |
| 1300 | L | 39.8 | Very low | 42.6 | Very low | 86 Ų | 86 | 114.9 Ų | 114.9 | 45% | 0.45 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -85 | -34.3 | 174.7 | -75.1 | 167.2 | 0 | 0 | 0 | 112.2 | F1297 G1298 A1302 L1303 | F1297-L1300 PolarHBondContact O-N 3.03Å; G1298-L1300 PolarHBondContact O-N 2.92Å; L1300-A1302 VanDerWaalsContact C-N 3.28Å; L1300-A1302 PolarHBondContact O-N 3.38Å; L1300-L1303 PolarHBondContact O-N 3.31Å; L1300-L1303 VanDerWaalsContact O-N 3.08Å |
| 1301 | A | 45.3 | Very low | 42.8 | Very low | 71 Ų | 71 | 111.8 Ų | 111.8 | 59% | 0.587 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60.7 | -38.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1297 L1303 G1304 | F1297-A1301 PolarHBondContact O-N 3.08Å; F1297-A1301 VanDerWaalsContact O-N 3.14Å; A1301-L1303 PolarHBondContact O-N 2.88Å; A1301-L1303 VanDerWaalsContact O-N 3.17Å; A1301-G1304 PolarHBondContact O-N 2.68Å |
| 1302 | A | 49.9 | Very low | 42.7 | Very low | 85 Ų | 85 | 112.2 Ų | 112.2 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -16.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G1298 L1300 | G1298-A1302 PolarHBondContact O-N 3.35Å; G1298-A1302 VanDerWaalsContact O-N 3.11Å; L1300-A1302 VanDerWaalsContact C-N 3.28Å; L1300-A1302 PolarHBondContact O-N 3.38Å |
| 1303 | L | 51 | Low | 42.6 | Very low | 125 Ų | 125 | 109.7 Ų | 109.7 | 65% | 0.654 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 6.2 | 173.7 | -69.6 | 169 | 0 | 0 | 0 | 113 | L1300 A1301 I1305 | L1300-L1303 PolarHBondContact O-N 3.31Å; L1300-L1303 VanDerWaalsContact O-N 3.08Å; A1301-L1303 PolarHBondContact O-N 2.88Å; A1301-L1303 VanDerWaalsContact O-N 3.17Å; L1303-I1305 HydrophobicContact CB-CD1 4.35Å; L1303-I1305 HydrophobicContact CB-CG1 4.21Å; L1303-I1305 PolarHBondContact O-N 3.4Å |
| 1304 | G | 40.4 | Very low | 42.4 | Very low | 66 Ų | 66 | 111.7 Ų | 111.7 | 68% | 0.68 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.5 | 9.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1301 N1306 | A1301-G1304 PolarHBondContact O-N 2.68Å; G1304-N1306 PolarHBondContact O-N 3.4Å |
| 1305 | I | 44.3 | Very low | 42.1 | Very low | 92 Ų | 92 | 109.2 Ų | 109.2 | 47% | 0.472 | 66% | 0.664 | S | S | . | * | trans | -85.1 | 77.9 | -176.5 | -48.9 | -179 | 0 | 0 | 0 | 109.4 | L1303 L1307 | L1303-I1305 HydrophobicContact CB-CD1 4.35Å; L1303-I1305 HydrophobicContact CB-CG1 4.21Å; L1303-I1305 PolarHBondContact O-N 3.4Å; I1305-L1307 HydrophobicContact CG2-CD1 4.16Å; I1305-L1307 HydrophobicContact CG2-CG 4.1Å; I1305-L1307 PolarHBondContact O-N 3.43Å | ||
| 1306 | N | 43.2 | Very low | 41.6 | Very low | 125 Ų | 125 | 113.3 Ų | 113.3 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | trans | -78 | 117.7 | -179.8 | -163.9 | 9.6 | 0 | 0 | 0 | 111.6 | G1304 E1308 | G1304-N1306 PolarHBondContact O-N 3.4Å; N1306-E1308 PolarHBondContact ND2-OE2 3.48Å; N1306-E1308 WeakPolarHBondContact OD1-CG 3.3Å; N1306-E1308 PolarHBondContact OD1-OE2 2.76Å | ||
| 1307 | L | 46.1 | Very low | 41 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 58% | 0.576 | 69% | 0.688 | S | S | * | * | trans | -112.3 | 21.7 | -167.4 | -78.4 | 167.7 | 0 | 0 | 0 | 114.6 | I1305 N1309 | I1305-L1307 HydrophobicContact CG2-CD1 4.16Å; I1305-L1307 HydrophobicContact CG2-CG 4.1Å; I1305-L1307 PolarHBondContact O-N 3.43Å; L1307-N1309 PolarHBondContact O-N 2.96Å | ||
| 1308 | E | 45.1 | Very low | 40.6 | Very low | 150 Ų | 150 | 114.1 Ų | 114.1 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -64.4 | -20.3 | -176.1 | -70.3 | 176.5 | 123.3 | 0 | 0 | 114.7 | N1306 L1310 | N1306-E1308 PolarHBondContact ND2-OE2 3.48Å; N1306-E1308 WeakPolarHBondContact OD1-CG 3.3Å; N1306-E1308 PolarHBondContact OD1-OE2 2.76Å; E1308-L1310 PolarHBondContact O-N 3.2Å |
| 1309 | N | 42.1 | Very low | 40.2 | Very low | 163 Ų | 163 | 119.9 Ų | 119.9 | 87% | 0.872 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -93.3 | 17.7 | -176.5 | -77.8 | -41.3 | 0 | 0 | 0 | 115.5 | L1307 | L1307-N1309 PolarHBondContact O-N 2.96Š|
| 1310 | L | 39.2 | Very low | 39.7 | Very low | 152 Ų | 152 | 121.5 Ų | 121.5 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -91.1 | 7.8 | 176.9 | -140 | 77.7 | 0 | 0 | 0 | 114.7 | E1308 | E1308-L1310 PolarHBondContact O-N 3.2Š|
| 1311 | A | 41.5 | Very low | 39.6 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 72% | 0.719 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -79.6 | -30.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1312 | N | 37.8 | Very low | 39.1 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -101.9 | 82.1 | -177.9 | -79.3 | -6.6 | 0 | 0 | 0 | 111.4 | N1314 | N1312-N1314 PolarHBondContact O-N 2.83Š|
| 1313 | G | 35.2 | Very low | 38.5 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 117.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 1314 | N | 34.3 | Very low | 38 | Very low | 169 Ų | 169 | 126.4 Ų | 126.4 | 90% | 0.904 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169 | -7.3 | 148.7 | -89.5 | -16.8 | 0 | 0 | 0 | 113.1 | N1312 Q1316 | N1312-N1314 PolarHBondContact O-N 2.83Å; N1314-Q1316 PolarHBondContact O-N 3.49Å |
| 1315 | S | 33.4 | Very low | 38 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -68.8 | 97.2 | 167.8 | 46.3 | 0 | 0 | 0 | 0 | 110.2 | M1317 | S1315-M1317 PolarHBondContact O-N 2.99Å; S1315-M1317 VanDerWaalsContact O-N 3.1Å | ||
| 1316 | Q | 33.7 | Very low | 38.1 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -48.4 | 118.3 | 171.4 | -176.2 | 177.8 | 13.8 | 0 | 0 | 109.3 | N1314 T1318 | N1314-Q1316 PolarHBondContact O-N 3.49Å; Q1316-T1318 PolarHBondContact O-N 3.44Å | ||
| 1317 | M | 31.5 | Very low | 38 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | -75.2 | 68.5 | -174.5 | -169.9 | 177.8 | 175.6 | 0 | 0 | 110.8 | S1315 F1319 | S1315-M1317 PolarHBondContact O-N 2.99Å; S1315-M1317 VanDerWaalsContact O-N 3.1Å; M1317-F1319 HydrophobicContact CE-CE2 4.41Å; M1317-F1319 HydrophobicContact CE-CZ 4.23Å; M1317-F1319 PolarHBondContact O-N 3.36Å | ||
| 1318 | T | 33 | Very low | 38.1 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 56% | 0.564 | 74% | 0.739 | S | S | * | * | trans | -59.9 | 108.2 | 169.8 | 46.4 | 0 | 0 | 0 | 0 | 108.1 | Q1316 H1320 | Q1316-T1318 PolarHBondContact O-N 3.44Å; T1318-H1320 PolarHBondContact O-N 2.87Å | ||
| 1319 | F | 34.9 | Very low | 38.4 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 75% | 0.75 | 73% | 0.732 | S | S | * | * | trans | -61.1 | 91.9 | 166.8 | -83.1 | -99.7 | 0 | 0 | 0 | 108.4 | M1317 A1321 | M1317-F1319 HydrophobicContact CE-CE2 4.41Å; M1317-F1319 HydrophobicContact CE-CZ 4.23Å; M1317-F1319 PolarHBondContact O-N 3.36Å; F1319-A1321 PolarHBondContact O-N 3.33Å | ||
| 1320 | H | 32.9 | Very low | 39.4 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | trans | -64.1 | 76.3 | 146.5 | -73.6 | -62 | 0 | 0 | 0 | 107.2 | T1318 K1322 | T1318-H1320 PolarHBondContact O-N 2.87Å; H1320-K1322 PolarHBondContact O-N 3.5Å | ||
| 1321 | A | 36.4 | Very low | 40.4 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | trans | -53.9 | 97.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | F1319 S1323 | F1319-A1321 PolarHBondContact O-N 3.33Å; A1321-S1323 PolarHBondContact O-N 3.29Å | ||
| 1322 | K | 34.9 | Very low | 41.7 | Very low | 195 Ų | 195 | 133 Ų | 133 | 85% | 0.848 | 70% | 0.697 | S | S | * | * | trans | -66.9 | 82.3 | 174.4 | -72.5 | 179.5 | 180 | 174.9 | 0 | 106.7 | H1320 | H1320-K1322 PolarHBondContact O-N 3.5Š| ||
| 1323 | S | 37.8 | Very low | 43.4 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 57% | 0.566 | 68% | 0.682 | S | S | * | * | trans | -46.1 | 126.7 | 171.6 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | A1321 R1325 | A1321-S1323 PolarHBondContact O-N 3.29Å; S1323-R1325 PolarHBondContact O-N 2.91Å | ||
| 1324 | P | 39.9 | Very low | 45.3 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -74.6 | 44.2 | -168.2 | 29.2 | -35.6 | 0 | 0 | 0 | 113.6 | K1326 | P1324-K1326 VanDerWaalsContact C-N 3.29Å; P1324-K1326 PolarHBondContact O-N 3.01Å |
| 1325 | R | 41.6 | Very low | 47.3 | Very low | 203 Ų | 203 | 129.4 Ų | 129.4 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 3.2 | 176.8 | -77.3 | -172 | 168.7 | -165.3 | -3.4 | 114.7 | S1323 | S1323-R1325 PolarHBondContact O-N 2.91Š|
| 1326 | K | 46.4 | Very low | 49.4 | Very low | 200 Ų | 200 | 128.3 Ų | 128.3 | 87% | 0.87 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 0.7 | 176.1 | -72.1 | -153.8 | 172.9 | -165.5 | 0 | 115.4 | P1324 | P1324-K1326 VanDerWaalsContact C-N 3.29Å; P1324-K1326 PolarHBondContact O-N 3.01Å |
| 1327 | F | 40.2 | Very low | 51.8 | Low | 172 Ų | 172 | 125.7 Ų | 125.7 | 75% | 0.754 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -103.5 | 6.6 | 173.7 | -96.3 | -73.5 | 0 | 0 | 0 | 114.4 | ||
| 1328 | I | 48.7 | Very low | 54.4 | Low | 90 Ų | 90 | 122.5 Ų | 122.5 | 46% | 0.462 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -78 | -36.3 | 179.1 | -58.1 | 177.4 | 0 | 0 | 0 | 113.5 | T1330 F1331 E1332 | I1328-T1330 PolarHBondContact O-N 2.91Å; I1328-F1331 PolarHBondContact O-N 3.43Å; I1328-E1332 HydrophobicContact CG2-CG 3.91Å; I1328-E1332 PolarHBondContact O-N 2.91Å |
| 1329 | P | 51.9 | Low | 56.9 | Low | 86 Ų | 86 | 121 Ų | 121 | 56% | 0.558 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -56.1 | -44.7 | -176.5 | -27.9 | 35.7 | 0 | 0 | 0 | 114.1 | S1333 | P1329-S1333 VanDerWaalsContact O-CB 3.29Å; P1329-S1333 WeakPolarHBondContact O-CB 3.3Å; P1329-S1333 PolarHBondContact O-N 2.72Å; P1329-S1333 PolarHBondContact O-OG 3.44Å |
| 1330 | T | 61.8 | Low | 59.4 | Low | 95 Ų | 95 | 119.1 Ų | 119.1 | 58% | 0.583 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.7 | -32.1 | -178.2 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | I1328 L1334 | I1328-T1330 PolarHBondContact O-N 2.91Å; T1330-L1334 WeakPolarHBondContact O-CB 3.45Å; T1330-L1334 PolarHBondContact O-N 3.24Å |
| 1331 | F | 61.3 | Low | 61.9 | Low | 147 Ų | 147 | 118.1 Ų | 118.1 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -79.7 | -38.6 | -178.9 | -150.6 | -84.9 | 0 | 0 | 0 | 111.7 | I1328 R1335 | I1328-F1331 PolarHBondContact O-N 3.43Å; F1331-R1335 VanDerWaalsContact O-CB 3.31Å; F1331-R1335 WeakPolarHBondContact O-CB 3.49Å; F1331-R1335 PolarHBondContact O-N 3.02Å |
| 1332 | E | 67.4 | Low | 64.4 | Low | 89 Ų | 89 | 119.7 Ų | 119.7 | 42% | 0.416 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71 | -37.4 | 171.3 | -68.4 | -63.4 | 172.5 | 0 | 0 | 111.8 | I1328 L1334 R1335 T1336 | I1328-E1332 HydrophobicContact CG2-CG 3.91Å; I1328-E1332 PolarHBondContact O-N 2.91Å; E1332-L1334 PolarHBondContact O-N 3.37Å; E1332-R1335 PolarHBondContact O-N 3.28Å; E1332-R1335 IonicContact OE1-NH1 3.7Å; E1332-R1335 WeakPolarHBondContact OE2-CD 3.31Å; E1332-T1336 WeakPolarHBondContact O-CG2 3.42Å; E1332-T1336 PolarHBondContact O-N 3.47Å; E1332-T1336 PolarHBondContact O-OG1 3.47Å; E1332-T1336 VanDerWaalsContact O-OG1 3.1Å |
| 1333 | S | 74 | Confident | 66.9 | Low | 70 Ų | 70 | 115 Ų | 115 | 49% | 0.49 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -56.3 | -51.4 | 170.3 | -77.5 | 0 | 0 | 0 | 0 | 111.7 | P1329 R1335 T1336 E1337 | P1329-S1333 VanDerWaalsContact O-CB 3.29Å; P1329-S1333 WeakPolarHBondContact O-CB 3.3Å; P1329-S1333 PolarHBondContact O-N 2.72Å; P1329-S1333 PolarHBondContact O-OG 3.44Å; S1333-R1335 VanDerWaalsContact C-N 3.27Å; S1333-R1335 PolarHBondContact O-N 3.17Å; S1333-T1336 WeakPolarHBondContact CA-OG1 3.44Å; S1333-T1336 PolarHBondContact O-N 3.33Å; S1333-T1336 PolarHBondContact O-OG1 3.07Å; S1333-E1337 WeakPolarHBondContact O-CB 3.46Å; S1333-E1337 PolarHBondContact O-N 3.43Å |
| 1334 | L | 75.4 | Confident | 69.2 | Low | 88 Ų | 88 | 115 Ų | 115 | 46% | 0.461 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.1 | -38.6 | 177.6 | -170.3 | 72.9 | 0 | 0 | 0 | 111.8 | T1330 E1332 E1337 I1338 | T1330-L1334 WeakPolarHBondContact O-CB 3.45Å; T1330-L1334 PolarHBondContact O-N 3.24Å; E1332-L1334 PolarHBondContact O-N 3.37Å; L1334-E1337 PolarHBondContact O-N 2.73Å; L1334-I1338 HydrophobicContact CG-CD1 4.04Å; L1334-I1338 WeakPolarHBondContact O-CB 3.04Å; L1334-I1338 VanDerWaalsContact O-CG1 3.26Å; L1334-I1338 WeakPolarHBondContact O-CG1 3.44Å; L1334-I1338 PolarHBondContact O-N 2.7Å |
| 1335 | R | 76.7 | Confident | 71.3 | Confident | 150 Ų | 150 | 115.6 Ų | 115.6 | 57% | 0.566 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.3 | -39.9 | 177.6 | -165.4 | -179.8 | -171.3 | -162.2 | 0.2 | 112.8 | F1331 E1332 S1333 E1337 T1339 | F1331-R1335 VanDerWaalsContact O-CB 3.31Å; F1331-R1335 WeakPolarHBondContact O-CB 3.49Å; F1331-R1335 PolarHBondContact O-N 3.02Å; E1332-R1335 PolarHBondContact O-N 3.28Å; E1332-R1335 IonicContact OE1-NH1 3.7Å; E1332-R1335 WeakPolarHBondContact OE2-CD 3.31Å; S1333-R1335 VanDerWaalsContact C-N 3.27Å; S1333-R1335 PolarHBondContact O-N 3.17Å; R1335-E1337 VanDerWaalsContact C-N 3.33Å; R1335-T1339 PolarHBondContact O-N 3.2Å; R1335-T1339 PolarHBondContact O-OG1 3.45Å |
| 1336 | T | 77.5 | Confident | 73.2 | Confident | 87 Ų | 87 | 111.5 Ų | 111.5 | 53% | 0.534 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.7 | -30.2 | 173.1 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | E1332 S1333 T1339 K1340 | E1332-T1336 WeakPolarHBondContact O-CG2 3.42Å; E1332-T1336 PolarHBondContact O-N 3.47Å; E1332-T1336 PolarHBondContact O-OG1 3.47Å; E1332-T1336 VanDerWaalsContact O-OG1 3.1Å; S1333-T1336 WeakPolarHBondContact CA-OG1 3.44Å; S1333-T1336 PolarHBondContact O-N 3.33Å; S1333-T1336 PolarHBondContact O-OG1 3.07Å; T1336-T1339 WeakPolarHBondContact CA-OG1 3.49Å; T1336-T1339 PolarHBondContact O-OG1 2.82Å; T1336-K1340 VanDerWaalsContact O-CB 3.27Å; T1336-K1340 WeakPolarHBondContact O-CB 3.43Å; T1336-K1340 PolarHBondContact O-N 2.8Å |
| 1337 | E | 83.5 | Confident | 74.7 | Confident | 112 Ų | 112 | 105.3 Ų | 105.3 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.3 | -44.6 | 176.3 | -172.1 | 166.1 | -140.4 | 0 | 0 | 111.3 | S1333 L1334 R1335 K1340 F1341 | S1333-E1337 WeakPolarHBondContact O-CB 3.46Å; S1333-E1337 PolarHBondContact O-N 3.43Å; L1334-E1337 PolarHBondContact O-N 2.73Å; R1335-E1337 VanDerWaalsContact C-N 3.33Å; E1337-K1340 PolarHBondContact O-N 3.01Å; E1337-F1341 HydrophobicContact CG-CD2 4.26Å; E1337-F1341 HydrophobicContact CG-CE2 4.32Å; E1337-F1341 WeakPolarHBondContact O-CD2 3.33Å; E1337-F1341 PolarHBondContact O-N 2.93Å |
| 1338 | I | 87 | Confident | 76.5 | Confident | 87 Ų | 87 | 106.6 Ų | 106.6 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59 | -52.4 | 172.8 | -70.3 | 164.4 | 0 | 0 | 0 | 110.8 | L1334 K1340 F1341 E1342 | L1334-I1338 HydrophobicContact CG-CD1 4.04Å; L1334-I1338 WeakPolarHBondContact O-CB 3.04Å; L1334-I1338 VanDerWaalsContact O-CG1 3.26Å; L1334-I1338 WeakPolarHBondContact O-CG1 3.44Å; L1334-I1338 PolarHBondContact O-N 2.7Å; I1338-K1340 PolarHBondContact O-N 3.47Å; I1338-F1341 WeakPolarHBondContact O-CB 3.47Å; I1338-F1341 PolarHBondContact O-N 3.44Å; I1338-E1342 HydrophobicContact CG2-CG 4.49Å; I1338-E1342 WeakPolarHBondContact O-CG 3.47Å; I1338-E1342 PolarHBondContact O-N 3.29Å |
| 1339 | T | 85.2 | Confident | 77.9 | Confident | 61 Ų | 61 | 106.9 Ų | 106.9 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.2 | -26.1 | 179.8 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | R1335 T1336 E1342 N1343 | R1335-T1339 PolarHBondContact O-N 3.2Å; R1335-T1339 PolarHBondContact O-OG1 3.45Å; T1336-T1339 WeakPolarHBondContact CA-OG1 3.49Å; T1336-T1339 PolarHBondContact O-OG1 2.82Å; T1339-E1342 WeakPolarHBondContact CA-OE2 3.4Å; T1339-N1343 PolarHBondContact O-N 3.41Å; T1339-N1343 PolarHBondContact O-ND2 3.28Å |
| 1340 | K | 87.1 | Confident | 78.8 | Confident | 131 Ų | 131 | 108.1 Ų | 108.1 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.2 | -47.4 | 168.3 | -172.6 | -176.1 | 174.1 | -169.2 | 0 | 111.6 | T1336 E1337 I1338 E1342 N1343 D1344 | T1336-K1340 VanDerWaalsContact O-CB 3.27Å; T1336-K1340 WeakPolarHBondContact O-CB 3.43Å; T1336-K1340 PolarHBondContact O-N 2.8Å; E1337-K1340 PolarHBondContact O-N 3.01Å; I1338-K1340 PolarHBondContact O-N 3.47Å; K1340-E1342 VanDerWaalsContact C-N 3.3Å; K1340-E1342 PolarHBondContact O-N 2.83Å; K1340-N1343 PolarHBondContact O-N 3.38Å; K1340-D1344 WeakPolarHBondContact CE-OD2 3.22Å; K1340-D1344 PolarHBondContact O-N 3.34Å |
| 1341 | F | 86.2 | Confident | 79 | Confident | 142 Ų | 142 | 109.3 Ų | 109.3 | 62% | 0.623 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.5 | -40.1 | 176.4 | -95.8 | -73 | 0 | 0 | 0 | 112.6 | E1337 I1338 L1345 | E1337-F1341 HydrophobicContact CG-CD2 4.26Å; E1337-F1341 HydrophobicContact CG-CE2 4.32Å; E1337-F1341 WeakPolarHBondContact O-CD2 3.33Å; E1337-F1341 PolarHBondContact O-N 2.93Å; I1338-F1341 WeakPolarHBondContact O-CB 3.47Å; I1338-F1341 PolarHBondContact O-N 3.44Å; F1341-L1345 VanDerWaalsContact O-CB 3.24Å; F1341-L1345 WeakPolarHBondContact O-CB 3.4Å; F1341-L1345 PolarHBondContact O-N 2.86Å |
| 1342 | E | 88.5 | Confident | 79.3 | Confident | 117 Ų | 117 | 104.8 Ų | 104.8 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.1 | -70.5 | 172.3 | 147 | 0 | 0 | 111.7 | I1338 T1339 K1340 L1345 L1346 | I1338-E1342 HydrophobicContact CG2-CG 4.49Å; I1338-E1342 WeakPolarHBondContact O-CG 3.47Å; I1338-E1342 PolarHBondContact O-N 3.29Å; T1339-E1342 WeakPolarHBondContact CA-OE2 3.4Å; K1340-E1342 VanDerWaalsContact C-N 3.3Å; K1340-E1342 PolarHBondContact O-N 2.83Å; E1342-L1345 PolarHBondContact O-N 3.43Å; E1342-L1346 PolarHBondContact O-N 2.99Å |
| 1343 | N | 86.8 | Confident | 79.1 | Confident | 98 Ų | 98 | 104.9 Ų | 104.9 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 177.7 | -75.9 | -56.2 | 0 | 0 | 0 | 113.4 | T1339 K1340 L1345 L1346 S1347 | T1339-N1343 PolarHBondContact O-N 3.41Å; T1339-N1343 PolarHBondContact O-ND2 3.28Å; K1340-N1343 PolarHBondContact O-N 3.38Å; N1343-L1345 VanDerWaalsContact C-N 3.26Å; N1343-L1345 PolarHBondContact O-N 3.12Å; N1343-L1346 PolarHBondContact O-N 2.83Å; N1343-S1347 WeakPolarHBondContact O-CB 3.36Å; N1343-S1347 PolarHBondContact O-N 3.16Å; N1343-S1347 PolarHBondContact O-OG 3.39Å |
| 1344 | D | 86.2 | Confident | 78.4 | Confident | 81 Ų | 81 | 105.7 Ų | 105.7 | 43% | 0.433 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -35.5 | 176.4 | -75.8 | -18.9 | 0 | 0 | 0 | 110.9 | K1340 R1348 | K1340-D1344 WeakPolarHBondContact CE-OD2 3.22Å; K1340-D1344 PolarHBondContact O-N 3.34Å; D1344-R1348 PolarHBondContact O-N 2.78Å; D1344-R1348 VanDerWaalsContact O-N 3.1Å |
| 1345 | L | 83.3 | Confident | 77.4 | Confident | 121 Ų | 121 | 105.2 Ų | 105.2 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.2 | -40.5 | 176.6 | -161.4 | 154.6 | 0 | 0 | 0 | 111.8 | F1341 E1342 N1343 R1348 N1349 | F1341-L1345 VanDerWaalsContact O-CB 3.24Å; F1341-L1345 WeakPolarHBondContact O-CB 3.4Å; F1341-L1345 PolarHBondContact O-N 2.86Å; E1342-L1345 PolarHBondContact O-N 3.43Å; N1343-L1345 VanDerWaalsContact C-N 3.26Å; N1343-L1345 PolarHBondContact O-N 3.12Å; L1345-R1348 PolarHBondContact O-N 3.4Å; L1345-N1349 PolarHBondContact O-N 3.18Å; L1345-N1349 VanDerWaalsContact O-N 3.09Å |
| 1346 | L | 83.2 | Confident | 76.4 | Confident | 118 Ų | 118 | 101.1 Ų | 101.1 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.7 | -46.4 | 172.4 | -137 | 85.3 | 0 | 0 | 0 | 111.4 | E1342 N1343 R1348 N1349 M1350 | E1342-L1346 PolarHBondContact O-N 2.99Å; N1343-L1346 PolarHBondContact O-N 2.83Å; L1346-R1348 VanDerWaalsContact C-N 3.35Å; L1346-R1348 PolarHBondContact O-N 3.16Å; L1346-N1349 PolarHBondContact O-N 3.38Å; L1346-N1349 VanDerWaalsContact O-N 3.09Å; L1346-M1350 PolarHBondContact O-N 3.48Å |
| 1347 | S | 77.8 | Confident | 75 | Confident | 69 Ų | 69 | 104.7 Ų | 104.7 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | -179.2 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | N1343 N1349 L1351 | N1343-S1347 WeakPolarHBondContact O-CB 3.36Å; N1343-S1347 PolarHBondContact O-N 3.16Å; N1343-S1347 PolarHBondContact O-OG 3.39Å; S1347-N1349 VanDerWaalsContact C-N 3.34Å; S1347-L1351 PolarHBondContact O-N 3.06Å; S1347-L1351 VanDerWaalsContact O-N 3.12Å |
| 1348 | R | 78.1 | Confident | 73.3 | Confident | 199 Ų | 199 | 106.2 Ų | 106.2 | 75% | 0.751 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65 | -35.7 | 171.9 | -83 | -178.5 | 166.2 | -175 | -3.8 | 113.1 | D1344 L1345 L1346 L1351 A1352 | D1344-R1348 PolarHBondContact O-N 2.78Å; D1344-R1348 VanDerWaalsContact O-N 3.1Å; L1345-R1348 PolarHBondContact O-N 3.4Å; L1346-R1348 VanDerWaalsContact C-N 3.35Å; L1346-R1348 PolarHBondContact O-N 3.16Å; R1348-L1351 PolarHBondContact O-N 2.92Å; R1348-A1352 WeakPolarHBondContact O-CB 3.42Å; R1348-A1352 PolarHBondContact O-N 3.13Å |
| 1349 | N | 77.3 | Confident | 71.1 | Confident | 97 Ų | 97 | 113.5 Ų | 113.5 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.2 | -35.4 | 179.8 | -148.4 | 14.8 | 0 | 0 | 0 | 111.7 | L1345 L1346 S1347 A1352 N1353 | L1345-N1349 PolarHBondContact O-N 3.18Å; L1345-N1349 VanDerWaalsContact O-N 3.09Å; L1346-N1349 PolarHBondContact O-N 3.38Å; L1346-N1349 VanDerWaalsContact O-N 3.09Å; S1347-N1349 VanDerWaalsContact C-N 3.34Å; N1349-A1352 PolarHBondContact O-N 2.75Å; N1349-N1353 PolarHBondContact O-N 3.43Å; N1349-N1353 VanDerWaalsContact O-N 3.11Å |
| 1350 | M | 70.6 | Confident | 70.4 | Confident | 111 Ų | 111 | 116.2 Ų | 116.2 | 55% | 0.547 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.2 | -50.7 | 169.4 | -67.4 | -59.1 | -59.5 | 0 | 0 | 111.5 | L1346 A1352 N1353 D1354 | L1346-M1350 PolarHBondContact O-N 3.48Å; M1350-A1352 PolarHBondContact O-N 3.05Å; M1350-N1353 PolarHBondContact O-N 2.76Å; M1350-D1354 PolarHBondContact O-N 3.44Å |
| 1351 | L | 67.2 | Low | 69.5 | Low | 121 Ų | 121 | 115.4 Ų | 115.4 | 63% | 0.634 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.6 | -32.7 | 176.1 | -83.2 | 163.5 | 0 | 0 | 0 | 113.4 | S1347 R1348 S1355 | S1347-L1351 PolarHBondContact O-N 3.06Å; S1347-L1351 VanDerWaalsContact O-N 3.12Å; R1348-L1351 PolarHBondContact O-N 2.92Å; L1351-S1355 VanDerWaalsContact O-CB 3.28Å; L1351-S1355 WeakPolarHBondContact O-CB 3.47Å; L1351-S1355 PolarHBondContact O-N 3.33Å |
| 1352 | A | 66.5 | Low | 68.6 | Low | 52 Ų | 52 | 113.9 Ų | 113.9 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.5 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1348 N1349 M1350 S1355 A1356 | R1348-A1352 WeakPolarHBondContact O-CB 3.42Å; R1348-A1352 PolarHBondContact O-N 3.13Å; N1349-A1352 PolarHBondContact O-N 2.75Å; M1350-A1352 PolarHBondContact O-N 3.05Å; A1352-S1355 PolarHBondContact O-N 2.85Å; A1352-A1356 WeakPolarHBondContact O-CB 3.27Å; A1352-A1356 PolarHBondContact O-N 3.29Å |
| 1353 | N | 62.5 | Low | 67.4 | Low | 91 Ų | 91 | 113.7 Ų | 113.7 | 49% | 0.487 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.8 | -45.2 | 174.4 | -75 | -15.9 | 0 | 0 | 0 | 112 | N1349 M1350 S1355 A1356 Q1357 | N1349-N1353 PolarHBondContact O-N 3.43Å; N1349-N1353 VanDerWaalsContact O-N 3.11Å; M1350-N1353 PolarHBondContact O-N 2.76Å; N1353-S1355 PolarHBondContact O-N 3.48Å; N1353-A1356 CarbonylContact O-C 3.58Å; N1353-A1356 WeakPolarHBondContact O-CA 3.16Å; N1353-A1356 WeakPolarHBondContact O-CB 3.37Å; N1353-A1356 PolarHBondContact O-N 2.79Å; N1353-Q1357 WeakPolarHBondContact O-CB 3.42Å; N1353-Q1357 PolarHBondContact O-N 3.44Å |
| 1354 | D | 60.7 | Low | 66.2 | Low | 86 Ų | 86 | 114.7 Ų | 114.7 | 46% | 0.46 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60.5 | -35.3 | 176.4 | -68 | -27.1 | 0 | 0 | 0 | 111.6 | M1350 N1358 | M1350-D1354 PolarHBondContact O-N 3.44Å; D1354-N1358 PolarHBondContact O-N 3.02Å; D1354-N1358 PolarHBondContact O-ND2 3.31Å |
| 1355 | S | 54.4 | Low | 64.8 | Low | 78 Ų | 78 | 116.9 Ų | 116.9 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -75.8 | -20.4 | 173.3 | -176.4 | 0 | 0 | 0 | 0 | 114.1 | L1351 A1352 N1353 | L1351-S1355 VanDerWaalsContact O-CB 3.28Å; L1351-S1355 WeakPolarHBondContact O-CB 3.47Å; L1351-S1355 PolarHBondContact O-N 3.33Å; A1352-S1355 PolarHBondContact O-N 2.85Å; N1353-S1355 PolarHBondContact O-N 3.48Å |
| 1356 | A | 54.2 | Low | 63.5 | Low | 64 Ų | 64 | 116.6 Ų | 116.6 | 53% | 0.529 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -86.3 | -23.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1352 N1353 | A1352-A1356 WeakPolarHBondContact O-CB 3.27Å; A1352-A1356 PolarHBondContact O-N 3.29Å; N1353-A1356 CarbonylContact O-C 3.58Å; N1353-A1356 WeakPolarHBondContact O-CA 3.16Å; N1353-A1356 WeakPolarHBondContact O-CB 3.37Å; N1353-A1356 PolarHBondContact O-N 2.79Å |
| 1357 | Q | 49.6 | Very low | 62 | Low | 163 Ų | 163 | 116.5 Ų | 116.5 | 76% | 0.762 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -2.2 | -179 | -160.3 | 160.6 | -8.4 | 0 | 0 | 113.6 | N1353 | N1353-Q1357 WeakPolarHBondContact O-CB 3.42Å; N1353-Q1357 PolarHBondContact O-N 3.44Å |
| 1358 | N | 47.2 | Very low | 60.7 | Low | 144 Ų | 144 | 120.5 Ų | 120.5 | 77% | 0.77 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 26.7 | 167.8 | -75.4 | -80.2 | 0 | 0 | 0 | 112.5 | D1354 | D1354-N1358 PolarHBondContact O-N 3.02Å; D1354-N1358 PolarHBondContact O-ND2 3.31Å |
| 1359 | K | 40.1 | Very low | 59.1 | Low | 240 Ų | 240 | 113.4 Ų | 113.4 | 100% | 1.043 | 61% | 0.611 | S | S | * | * | trans | -131.8 | 0 | 173.3 | -85 | -167.4 | 171.6 | -174 | 0 | 110.7 |
Retrieved 1,359 of 1,359 residues in 1002.8 ms
(Link to these results)