| 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 | 37.6 | Very low | 36.5 | Very low | 241 Ų | 241 | 160 Ų | 160 | 100% | 1.187 | 84% | 0.843 | S | S | * | * | 0 | 113.7 | 0 | -74.1 | -174.6 | -172.3 | 0 | 0 | 106.5 | |||||
| 2 | N | 35.5 | Very low | 36.4 | Very low | 159 Ų | 159 | 158.4 Ų | 158.4 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | trans | -87.8 | 124.7 | 169 | -84.5 | -1.2 | 0 | 0 | 0 | 107.8 | ||||
| 3 | F | 38.9 | Very low | 36.4 | Very low | 208 Ų | 208 | 161.7 Ų | 161.7 | 91% | 0.912 | 84% | 0.844 | S | S | * | * | trans | -165.5 | 153.6 | 158 | -91.4 | -62.7 | 0 | 0 | 0 | 108.5 | ||||
| 4 | P | 41 | Very low | 36.4 | Very low | 94 Ų | 94 | 159.6 Ų | 159.6 | 61% | 0.61 | 83% | 0.834 | S | S | * | * | -131.8 | -179.5 | -123.7 | 30.9 | -7.2 | 0 | 0 | 0 | 114.1 | |||||
| 5 | E | 34.8 | Very low | 36.5 | Very low | 167 Ų | 167 | 160.4 Ų | 160.4 | 78% | 0.78 | 84% | 0.84 | S | S | * | * | trans | 71.1 | 106.3 | 147.3 | -79.2 | 163.7 | -167.2 | 0 | 0 | 120.9 | ||||
| 6 | D | 34.7 | Very low | 36.5 | Very low | 140 Ų | 140 | 161.3 Ų | 161.3 | 75% | 0.749 | 84% | 0.838 | S | S | * | * | 61 | 110.4 | 123.6 | -71.5 | -9.9 | 0 | 0 | 0 | 121.4 | |||||
| 7 | P | 40.6 | Very low | 36.4 | Very low | 136 Ų | 136 | 163.4 Ų | 163.4 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | trans | -93.8 | 94.1 | 149.5 | 33 | -19.9 | 0 | 0 | 0 | 109.1 | ||||
| 8 | N | 34.1 | Very low | 36.3 | Very low | 146 Ų | 146 | 163.3 Ų | 163.3 | 78% | 0.781 | 84% | 0.843 | S | S | * | * | trans | -104.6 | 115 | 168.8 | -159.3 | 9.1 | 0 | 0 | 0 | 107.8 | ||||
| 9 | L | 34 | Very low | 35.9 | Very low | 167 Ų | 167 | 164.6 Ų | 164.6 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | trans | 168.7 | 90.2 | 159 | -93.3 | 151.8 | 0 | 0 | 0 | 109.6 | ||||
| 10 | Q | 34.7 | Very low | 36 | Very low | 199 Ų | 199 | 162.3 Ų | 162.3 | 93% | 0.93 | 84% | 0.841 | S | S | * | * | trans | -151.7 | 104.5 | 144.8 | -111.4 | 170.5 | 10.5 | 0 | 0 | 109.1 | ||||
| 11 | S | 35.8 | Very low | 36 | Very low | 103 Ų | 103 | 160.3 Ų | 160.3 | 72% | 0.72 | 84% | 0.839 | S | S | * | * | trans | -67.2 | 128.7 | -176.8 | 47.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 12 | D | 35.7 | Very low | 36.3 | Very low | 141 Ų | 141 | 154.4 Ų | 154.4 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | trans | 24.2 | 110 | 130.2 | -59.2 | -23.7 | 0 | 0 | 0 | 118.3 | ||||
| 13 | Q | 36 | Very low | 36.1 | Very low | 201 Ų | 201 | 154 Ų | 154 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -119.8 | 96.4 | 146.5 | -76.8 | -173.6 | -11.2 | 0 | 0 | 108.2 | ||||
| 14 | N | 36.5 | Very low | 35.9 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -64.8 | 130.3 | 164.2 | -73.1 | -32 | 0 | 0 | 0 | 109.6 | ||||
| 15 | N | 37 | Very low | 35.2 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | trans | -127.2 | 102.7 | 153.6 | -93.3 | -18.8 | 0 | 0 | 0 | 106.9 | ||||
| 16 | E | 37 | Very low | 35 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70 | 126.5 | 172.1 | -70.2 | 169.5 | 137.2 | 0 | 0 | 110.1 | ||
| 17 | E | 34.7 | Very low | 34.6 | Very low | 197 Ų | 197 | 156.2 Ų | 156.2 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 117 | 160.6 | -92.6 | -179.1 | 156.8 | 0 | 0 | 108.8 | ||
| 18 | L | 34.1 | Very low | 34 | Very low | 162 Ų | 162 | 158.1 Ų | 158.1 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 134.8 | -174.9 | -83.2 | 80.3 | 0 | 0 | 0 | 113.6 | ||
| 19 | Q | 30.3 | Very low | 33.7 | Very low | 188 Ų | 188 | 157.8 Ų | 157.8 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 136.6 | 158.9 | -82.3 | 175.2 | -29.4 | 0 | 0 | 110.7 | ||
| 20 | P | 36.9 | Very low | 33.4 | Very low | 118 Ų | 118 | 158.7 Ų | 158.7 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 148.3 | 175.5 | 33.5 | -30.7 | 0 | 0 | 0 | 112.2 | ||
| 21 | P | 36.9 | Very low | 33 | Very low | 122 Ų | 122 | 157.1 Ų | 157.1 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 156.4 | -170.3 | 35.8 | -34.4 | 0 | 0 | 0 | 113.3 | ||
| 22 | P | 42.5 | Very low | 32.7 | Very low | 116 Ų | 116 | 161.7 Ų | 161.7 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 140.6 | 173.5 | 36.2 | -27.4 | 0 | 0 | 0 | 110.9 | ||
| 23 | D | 32.6 | Very low | 32.2 | Very low | 152 Ų | 152 | 158.3 Ų | 158.3 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -155 | 114.6 | 157.9 | -105.9 | -15.7 | 0 | 0 | 0 | 111.7 | ||||
| 24 | D | 33.6 | Very low | 31.9 | Very low | 135 Ų | 135 | 156.9 Ų | 156.9 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | 47.8 | 103.1 | 137.8 | -67.9 | -8.1 | 0 | 0 | 0 | 121.5 | F26 | D24-F26 PolarHBondContact O-N 3.23Š| ||
| 25 | T | 27.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 155.9 Ų | 155.9 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -34.8 | 118.1 | 144.1 | 44.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 26 | F | 29.2 | Very low | 31 | Very low | 202 Ų | 202 | 155 Ų | 155 | 89% | 0.886 | 82% | 0.816 | S | S | * | * | trans | -117.5 | 114.5 | 152.1 | -106.9 | -89.5 | 0 | 0 | 0 | 109.1 | D24 | D24-F26 PolarHBondContact O-N 3.23Š| ||
| 27 | E | 26.2 | Very low | 30.5 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -65.1 | 128.1 | 166.1 | -68.5 | 172.5 | 148.9 | 0 | 0 | 109.6 | ||||
| 28 | M | 29.7 | Very low | 30.3 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | trans | -136.1 | 110.5 | 149.9 | -89.7 | -163.3 | 69.7 | 0 | 0 | 108.5 | ||||
| 29 | D | 26.4 | Very low | 30.1 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -48 | 132.7 | 161.3 | -74.8 | -50.5 | 0 | 0 | 0 | 111.4 | ||||
| 30 | E | 29 | Very low | 29.9 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -152 | 126.5 | 140.6 | -116 | 174.8 | -158.5 | 0 | 0 | 111.4 | ||||
| 31 | Q | 25.1 | Very low | 29.4 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -92.8 | 121.3 | -167.7 | -61.7 | 168.2 | -7 | 0 | 0 | 110.3 | ||||
| 32 | H | 29 | Very low | 28.8 | Very low | 199 Ų | 199 | 156.5 Ų | 156.5 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -159.1 | 115.5 | 154.2 | -78.9 | -58.5 | 0 | 0 | 0 | 105.7 | ||||
| 33 | G | 25.1 | Very low | 28 | Very low | 70 Ų | 70 | 160.4 Ų | 160.4 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | cis | 110.1 | 73.2 | 47.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 34 | I | 30.5 | Very low | 27.6 | Very low | 171 Ų | 171 | 159.3 Ų | 159.3 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -132.6 | 101 | 158 | -59.6 | -178.7 | 0 | 0 | 0 | 108.7 | ||||
| 35 | V | 25.9 | Very low | 27.3 | Very low | 112 Ų | 112 | 159.7 Ų | 159.7 | 68% | 0.679 | 81% | 0.81 | S | S | * | * | trans | -74.5 | 117.9 | 165.6 | 171 | 0 | 0 | 0 | 0 | 107.3 | I37 | V35-I37 HydrophobicContact CG1-CD1 3.62Å; V35-I37 HydrophobicContact CG1-CG1 3.59Å | ||
| 36 | D | 28.4 | Very low | 27.2 | Very low | 153 Ų | 153 | 159.7 Ų | 159.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -130.1 | 86 | 150.2 | -147.4 | 3.9 | 0 | 0 | 0 | 110.4 | N38 | D36-N38 PolarHBondContact O-N 2.98Š| ||
| 37 | I | 26.7 | Very low | 26.8 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 56% | 0.559 | 80% | 0.796 | S | S | * | * | trans | -15.4 | 108.1 | 147.3 | -64.6 | 148.7 | 0 | 0 | 0 | 113.1 | V35 S39 | V35-I37 HydrophobicContact CG1-CD1 3.62Å; V35-I37 HydrophobicContact CG1-CG1 3.59Å; I37-S39 WeakPolarHBondContact CG2-OG 3.07Å | ||
| 38 | N | 30.2 | Very low | 26.8 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -107.3 | 101.2 | 133.4 | -106.3 | -33.6 | 0 | 0 | 0 | 108.7 | D36 | D36-N38 PolarHBondContact O-N 2.98Š| ||
| 39 | S | 29.4 | Very low | 26.6 | Very low | 98 Ų | 98 | 149.5 Ų | 149.5 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -44.7 | 128 | -177.7 | -69 | 0 | 0 | 0 | 0 | 114.5 | I37 | I37-S39 WeakPolarHBondContact CG2-OG 3.07Š| ||
| 40 | R | 26 | Very low | 26.6 | Very low | 241 Ų | 241 | 151.8 Ų | 151.8 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -35 | 136.4 | 148.8 | -73.3 | 171.1 | 166.9 | 172.9 | -4.6 | 112.9 | ||||
| 41 | R | 28 | Very low | 26.6 | Very low | 234 Ų | 234 | 149.1 Ų | 149.1 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -144.8 | 104 | 132.5 | -118.1 | 178.5 | -176.6 | -179 | 1 | 110 | ||||
| 42 | N | 24.2 | Very low | 27 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 46.2 | 110 | 141.9 | -56.7 | -5.9 | 0 | 0 | 0 | 118.3 | ||||
| 43 | E | 26.1 | Very low | 27.4 | Very low | 198 Ų | 198 | 146.9 Ų | 146.9 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | -157.6 | 131.3 | 107.3 | -104.8 | 167 | -161.7 | 0 | 0 | 109.9 | |||||
| 44 | V | 23.8 | Very low | 28.2 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -84.7 | 122.7 | 171.8 | 174.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 45 | D | 25.8 | Very low | 29.2 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | -176.5 | 112.5 | 127.3 | -101.5 | -20 | 0 | 0 | 0 | 112.9 | |||||
| 46 | V | 25.9 | Very low | 30.5 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 37.4 | 105.5 | 132.4 | -167.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 47 | G | 22.4 | Very low | 32 | Very low | 59 Ų | 59 | 144.3 Ų | 144.3 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | trans | 54.9 | 110.6 | 132.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 48 | N | 24.9 | Very low | 33.5 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | 172.9 | 122.3 | 111.6 | -89.1 | -7.7 | 0 | 0 | 0 | 113.7 | |||||
| 49 | E | 26 | Very low | 34.8 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 39.9 | 106.5 | 134.5 | -64.1 | 175.8 | 171.1 | 0 | 0 | 121 | ||||
| 50 | Q | 26 | Very low | 36.4 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | 31.9 | 102.5 | 127.4 | -71.1 | 167.3 | -21.3 | 0 | 0 | 118.4 | |||||
| 51 | N | 29.8 | Very low | 38.1 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | -110.6 | 101.1 | 163 | -85.3 | -36.4 | 0 | 0 | 0 | 109.9 | ||||
| 52 | D | 33.3 | Very low | 39.9 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | trans | -65.1 | 125.7 | 172 | -82.7 | -33.4 | 0 | 0 | 0 | 111.6 | V54 | D52-V54 PolarHBondContact O-N 3Š| ||
| 53 | L | 36.4 | Very low | 42 | Very low | 165 Ų | 165 | 124.3 Ų | 124.3 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | -75.9 | 102.4 | -175.9 | -74.3 | 106.4 | 0 | 0 | 0 | 112 | V55 | L53-V55 PolarHBondContact O-N 2.64Š| ||
| 54 | V | 43.3 | Very low | 44 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 74% | 0.739 | 68% | 0.677 | S | S | * | * | trans | -78 | 110 | 170.6 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | D52 | D52-V54 PolarHBondContact O-N 3Š| ||
| 55 | V | 50.5 | Low | 45.9 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 81% | 0.806 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 120.7 | -178.1 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | L53 | L53-V55 PolarHBondContact O-N 2.64Š|
| 56 | L | 53.3 | Low | 48.1 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -82.5 | 141.3 | 175.9 | -87.5 | 79.7 | 0 | 0 | 0 | 112.2 | ||
| 57 | D | 59.4 | Low | 50.5 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 56% | 0.561 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 137.9 | -175.8 | -167.7 | -46.8 | 0 | 0 | 0 | 113.6 | N59 H60 | D57-N59 PolarHBondContact O-N 3.47Å; D57-N59 PolarHBondContact OD1-N 3.31Å; D57-N59 VanDerWaalsContact OD1-N 3.16Å; D57-H60 WeakPolarHBondContact O-CB 3.45Å; D57-H60 PolarHBondContact O-N 2.77Å |
| 58 | P | 59.8 | Low | 53 | Low | 87 Ų | 87 | 128 Ų | 128 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -23.5 | 178.9 | -29.6 | 35 | 0 | 0 | 0 | 117 | Q67 | P58-Q67 PolarHBondContact O-NE2 3.05Š|
| 59 | N | 55.9 | Low | 55.3 | Low | 143 Ų | 143 | 124.5 Ų | 124.5 | 77% | 0.765 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 3.5 | 176.5 | -67.9 | -36.9 | 0 | 0 | 0 | 113.3 | D57 | D57-N59 PolarHBondContact O-N 3.47Å; D57-N59 PolarHBondContact OD1-N 3.31Å; D57-N59 VanDerWaalsContact OD1-N 3.16Å |
| 60 | H | 64.5 | Low | 57.6 | Low | 69 Ų | 69 | 120.2 Ų | 120.2 | 32% | 0.319 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -58.6 | 134.5 | 178.4 | -166.2 | -89.9 | 0 | 0 | 0 | 110 | D57 L62 M63 | D57-H60 WeakPolarHBondContact O-CB 3.45Å; D57-H60 PolarHBondContact O-N 2.77Å; H60-L62 VanDerWaalsContact CE1-CD1 3.4Å; H60-L62 WeakPolarHBondContact CE1-CD1 3.32Å; H60-L62 WeakPolarHBondContact ND1-CB 3.47Å; H60-L62 WeakPolarHBondContact ND1-CG 3.34Å; H60-L62 PolarHBondContact ND1-N 3.13Å; H60-L62 PolarHBondContact O-N 3.17Å; H60-M63 WeakPolarHBondContact O-CB 3.39Å; H60-M63 PolarHBondContact O-N 3.33Å |
| 61 | P | 61.8 | Low | 60 | Low | 109 Ų | 109 | 120.9 Ų | 120.9 | 71% | 0.708 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -53.3 | -26.8 | -174.7 | -27.9 | 33.8 | 0 | 0 | 0 | 114.3 | M63 | P61-M63 VanDerWaalsContact C-N 3.26Å; P61-M63 PolarHBondContact O-N 3.43Å |
| 62 | L | 64.2 | Low | 62.2 | Low | 99 Ų | 99 | 118.7 Ų | 118.7 | 52% | 0.518 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -70.4 | -7.3 | 176.5 | -60.4 | 173 | 0 | 0 | 0 | 114.7 | H60 I733 | H60-L62 VanDerWaalsContact CE1-CD1 3.4Å; H60-L62 WeakPolarHBondContact CE1-CD1 3.32Å; H60-L62 WeakPolarHBondContact ND1-CB 3.47Å; H60-L62 WeakPolarHBondContact ND1-CG 3.34Å; H60-L62 PolarHBondContact ND1-N 3.13Å; H60-L62 PolarHBondContact O-N 3.17Å; L62-I733 HydrophobicContact CD1-CG2 4.33Å |
| 63 | M | 69.4 | Low | 64.3 | Low | 65 Ų | 65 | 113.2 Ų | 113.2 | 32% | 0.32 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -108 | -12.3 | -170.3 | -70.9 | -64.1 | -72.3 | 0 | 0 | 116.8 | H60 P61 R65 F66 | H60-M63 WeakPolarHBondContact O-CB 3.39Å; H60-M63 PolarHBondContact O-N 3.33Å; P61-M63 VanDerWaalsContact C-N 3.26Å; P61-M63 PolarHBondContact O-N 3.43Å; M63-R65 PolarHBondContact O-N 2.92Å; M63-F66 HydrophobicContact CE-CD1 3.76Å; M63-F66 HydrophobicContact CE-CE1 4.23Å; M63-F66 WeakPolarHBondContact O-CB 3.2Å; M63-F66 PolarHBondContact O-N 2.79Å |
| 64 | R | 66.8 | Low | 66.2 | Low | 204 Ų | 204 | 109.9 Ų | 109.9 | 77% | 0.77 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59 | -42.3 | -171.7 | -104.3 | -177.8 | -167 | 138.7 | 5 | 114.7 | F66 Q67 | R64-F66 PolarHBondContact O-N 3.4Å; R64-F66 VanDerWaalsContact O-N 3.13Å; R64-Q67 PolarHBondContact O-N 3.26Å; R64-Q67 VanDerWaalsContact O-N 3.14Å |
| 65 | R | 65.4 | Low | 68 | Low | 206 Ų | 206 | 108.2 Ų | 108.2 | 78% | 0.777 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.2 | -19.2 | -174.5 | -63.8 | -176.9 | 71.4 | -165 | 3.4 | 113.2 | M63 | M63-R65 PolarHBondContact O-N 2.92Å |
| 66 | F | 70.7 | Confident | 69.3 | Low | 82 Ų | 82 | 109.9 Ų | 109.9 | 36% | 0.36 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -77.2 | -29 | 177.5 | 170 | -122.5 | 0 | 0 | 0 | 113.3 | M63 R64 S69 V740 | M63-F66 HydrophobicContact CE-CD1 3.76Å; M63-F66 HydrophobicContact CE-CE1 4.23Å; M63-F66 WeakPolarHBondContact O-CB 3.2Å; M63-F66 PolarHBondContact O-N 2.79Å; R64-F66 PolarHBondContact O-N 3.4Å; R64-F66 VanDerWaalsContact O-N 3.13Å; F66-S69 PolarHBondContact O-OG 3.45Å; F66-V740 HydrophobicContact CD2-CB 3.88Å; F66-V740 HydrophobicContact CD2-CG1 3.48Å; F66-V740 VanDerWaalsContact CD2-CG1 3.48Å; F66-V740 HydrophobicContact CD2-CG2 3.18Å; F66-V740 HydrophobicContact CE2-CB 4.03Å; F66-V740 HydrophobicContact CE2-CG1 3.62Å; F66-V740 HydrophobicContact CE2-CG2 3.28Å; F66-V740 HydrophobicContact CG-CG2 4.29Å; F66-V740 HydrophobicContact CZ-CG2 4.46Å |
| 67 | Q | 77.4 | Confident | 70.3 | Confident | 87 Ų | 87 | 108.7 Ų | 108.7 | 41% | 0.407 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -81.6 | -34.1 | -167.2 | -66.3 | -177.5 | -5.2 | 0 | 0 | 114.3 | P58 R64 L70 | P58-Q67 PolarHBondContact O-NE2 3.05Å; R64-Q67 PolarHBondContact O-N 3.26Å; R64-Q67 VanDerWaalsContact O-N 3.14Å; Q67-L70 VanDerWaalsContact O-CB 3.32Å; Q67-L70 WeakPolarHBondContact O-CB 3.16Å; Q67-L70 PolarHBondContact O-N 2.76Å |
| 68 | E | 74.5 | Confident | 71.3 | Confident | 162 Ų | 162 | 108 Ų | 108 | 76% | 0.757 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.8 | -39.6 | -176.4 | -84.1 | 172.2 | 154.5 | 0 | 0 | 113.4 | L70 R71 | E68-L70 PolarHBondContact O-N 3.49Å; E68-L70 VanDerWaalsContact O-N 3.16Å; E68-R71 PolarHBondContact O-N 2.7Å |
| 69 | S | 72.6 | Confident | 72.3 | Confident | 52 Ų | 52 | 109 Ų | 109 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.1 | -25.7 | 174.1 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | F66 | F66-S69 PolarHBondContact O-OG 3.45Å |
| 70 | L | 74.5 | Confident | 73.4 | Confident | 72 Ų | 72 | 104.9 Ų | 104.9 | 38% | 0.377 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73 | -37.3 | -177.1 | -160.7 | 73.2 | 0 | 0 | 0 | 112.6 | Q67 E68 L74 | Q67-L70 VanDerWaalsContact O-CB 3.32Å; Q67-L70 WeakPolarHBondContact O-CB 3.16Å; Q67-L70 PolarHBondContact O-N 2.76Å; E68-L70 PolarHBondContact O-N 3.49Å; E68-L70 VanDerWaalsContact O-N 3.16Å; L70-L74 WeakPolarHBondContact O-CG 3.07Å |
| 71 | R | 77.3 | Confident | 73.8 | Confident | 201 Ų | 201 | 105.3 Ų | 105.3 | 76% | 0.758 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.6 | -43 | -172.1 | -75.1 | -174.2 | 179.3 | -174.1 | 0.4 | 114 | E68 M73 L74 | E68-R71 PolarHBondContact O-N 2.7Å; R71-M73 VanDerWaalsContact C-N 3.31Å; R71-M73 PolarHBondContact O-N 3.47Å; R71-L74 WeakPolarHBondContact O-CB 3.36Å; R71-L74 PolarHBondContact O-N 3.3Å; R71-L74 VanDerWaalsContact O-N 3.14Å |
| 72 | S | 76.3 | Confident | 74.8 | Confident | 84 Ų | 84 | 105.9 Ų | 105.9 | 59% | 0.587 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | -177.3 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | L74 T75 | S72-L74 VanDerWaalsContact C-N 3.3Å; S72-L74 PolarHBondContact O-N 2.9Å; S72-T75 PolarHBondContact O-OG1 2.7Å |
| 73 | M | 77.2 | Confident | 75.6 | Confident | 40 Ų | 40 | 106.6 Ų | 106.6 | 20% | 0.197 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -57 | -43 | 173.8 | -175.9 | -150 | -69.1 | 0 | 0 | 111.3 | R71 T75 H77 D744 | R71-M73 VanDerWaalsContact C-N 3.31Å; R71-M73 PolarHBondContact O-N 3.47Å; M73-T75 PolarHBondContact O-N 3.36Å; M73-H77 PolarHBondContact O-CD2 3.3Å; M73-D744 HydrophobicContact CE-CB 4.25Å; M73-D744 VanDerWaalsContact CE-OD1 3.23Å; M73-D744 WeakPolarHBondContact CE-OD1 3.41Å |
| 74 | L | 76.3 | Confident | 76 | Confident | 94 Ų | 94 | 108.4 Ų | 108.4 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | -170.6 | -68 | 167.7 | 0 | 0 | 0 | 113.6 | L70 R71 S72 K76 H77 I78 | L70-L74 WeakPolarHBondContact O-CG 3.07Å; R71-L74 WeakPolarHBondContact O-CB 3.36Å; R71-L74 PolarHBondContact O-N 3.3Å; R71-L74 VanDerWaalsContact O-N 3.14Å; S72-L74 VanDerWaalsContact C-N 3.3Å; S72-L74 PolarHBondContact O-N 2.9Å; L74-K76 PolarHBondContact O-N 3.31Å; L74-H77 WeakPolarHBondContact O-CB 3.31Å; L74-H77 PolarHBondContact O-N 3.44Å; L74-I78 PolarHBondContact O-N 3.39Å |
| 75 | T | 79.4 | Confident | 76.4 | Confident | 88 Ų | 88 | 103.8 Ų | 103.8 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | -176.2 | 12.2 | 0 | 0 | 0 | 0 | 113.8 | S72 M73 H77 I78 | S72-T75 PolarHBondContact O-OG1 2.7Å; M73-T75 PolarHBondContact O-N 3.36Å; T75-H77 PolarHBondContact O-N 3.34Å; T75-I78 PolarHBondContact O-N 3.43Å; T75-I78 VanDerWaalsContact O-N 3.17Å |
| 76 | K | 77.8 | Confident | 77.2 | Confident | 167 Ų | 167 | 103.3 Ų | 103.3 | 73% | 0.726 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68 | -26.3 | 177.9 | -73.1 | -178.8 | 178.2 | 176.5 | 0 | 113 | L74 I78 | L74-K76 PolarHBondContact O-N 3.31Å; K76-I78 VanDerWaalsContact C-N 3.34Å |
| 77 | H | 75.9 | Confident | 77.8 | Confident | 66 Ų | 66 | 104.7 Ų | 104.7 | 31% | 0.306 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.9 | -30.7 | 175 | -76.9 | -68.1 | 0 | 0 | 0 | 111.8 | M73 L74 T75 T81 | M73-H77 PolarHBondContact O-CD2 3.3Å; L74-H77 WeakPolarHBondContact O-CB 3.31Å; L74-H77 PolarHBondContact O-N 3.44Å; T75-H77 PolarHBondContact O-N 3.34Å; H77-T81 WeakPolarHBondContact O-CG2 3Å; H77-T81 PolarHBondContact O-N 3.46Å; H77-T81 VanDerWaalsContact O-N 3.07Å; H77-T81 PolarHBondContact O-OG1 3.41Å |
| 78 | I | 80.5 | Confident | 77.9 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 46% | 0.462 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -50.5 | -177.4 | -64.9 | 170.5 | 0 | 0 | 0 | 111.5 | L74 T75 K76 S80 T81 E82 | L74-I78 PolarHBondContact O-N 3.39Å; T75-I78 PolarHBondContact O-N 3.43Å; T75-I78 VanDerWaalsContact O-N 3.17Å; K76-I78 VanDerWaalsContact C-N 3.34Å; I78-S80 VanDerWaalsContact C-N 3.33Å; I78-S80 PolarHBondContact O-N 2.79Å; I78-T81 WeakPolarHBondContact CA-OG1 3.44Å; I78-T81 WeakPolarHBondContact O-CA 3.48Å; I78-T81 PolarHBondContact O-N 3.06Å; I78-T81 PolarHBondContact O-OG1 3Å; I78-E82 PolarHBondContact O-N 3.43Å; I78-E82 VanDerWaalsContact O-N 3.15Å |
| 79 | D | 79.9 | Confident | 78.3 | Confident | 108 Ų | 108 | 101.8 Ų | 101.8 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -37.9 | -177.1 | -61 | -16.8 | 0 | 0 | 0 | 112.5 | T81 E82 | D79-T81 VanDerWaalsContact C-N 3.26Å; D79-T81 PolarHBondContact O-N 3.33Å; D79-E82 PolarHBondContact O-N 3.42Å |
| 80 | S | 78.5 | Confident | 78.8 | Confident | 57 Ų | 57 | 103.5 Ų | 103.5 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 172.8 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | I78 H84 | I78-S80 VanDerWaalsContact C-N 3.33Å; I78-S80 PolarHBondContact O-N 2.79Å; S80-H84 PolarHBondContact O-CD2 3.34Å; S80-H84 PolarHBondContact O-N 3Å |
| 81 | T | 73.3 | Confident | 79.1 | Confident | 78 Ų | 78 | 104.3 Ų | 104.3 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.2 | -31.6 | 179.7 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | H77 I78 D79 H84 L85 | H77-T81 WeakPolarHBondContact O-CG2 3Å; H77-T81 PolarHBondContact O-N 3.46Å; H77-T81 VanDerWaalsContact O-N 3.07Å; H77-T81 PolarHBondContact O-OG1 3.41Å; I78-T81 WeakPolarHBondContact CA-OG1 3.44Å; I78-T81 WeakPolarHBondContact O-CA 3.48Å; I78-T81 PolarHBondContact O-N 3.06Å; I78-T81 PolarHBondContact O-OG1 3Å; D79-T81 VanDerWaalsContact C-N 3.26Å; D79-T81 PolarHBondContact O-N 3.33Å; T81-H84 PolarHBondContact O-N 3.41Å; T81-L85 WeakPolarHBondContact O-CB 3.39Å; T81-L85 PolarHBondContact O-N 2.94Å |
| 82 | E | 82.6 | Confident | 79.1 | Confident | 121 Ų | 121 | 98.4 Ų | 98.4 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.3 | -39.6 | 179.5 | -75.1 | -169.4 | 162.6 | 0 | 0 | 113.6 | I78 D79 L85 R86 | I78-E82 PolarHBondContact O-N 3.43Å; I78-E82 VanDerWaalsContact O-N 3.15Å; D79-E82 PolarHBondContact O-N 3.42Å; E82-L85 WeakPolarHBondContact O-CB 3.45Å; E82-L85 PolarHBondContact O-N 3.47Å; E82-R86 PolarHBondContact O-N 3.42Å |
| 83 | I | 80.5 | Confident | 79.5 | Confident | 115 Ų | 115 | 100.2 Ų | 100.2 | 59% | 0.59 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.6 | -45.2 | 177.4 | -65.6 | 173.6 | 0 | 0 | 0 | 110.1 | L85 R86 E87 | I83-L85 PolarHBondContact O-N 3.39Å; I83-R86 PolarHBondContact O-N 3.42Å; I83-E87 PolarHBondContact O-N 2.84Å |
| 84 | H | 78.2 | Confident | 79.8 | Confident | 103 Ų | 103 | 105.8 Ų | 105.8 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -33.5 | 174 | -75.7 | -49.9 | 0 | 0 | 0 | 112.4 | S80 T81 E87 K88 | S80-H84 PolarHBondContact O-CD2 3.34Å; S80-H84 PolarHBondContact O-N 3Å; T81-H84 PolarHBondContact O-N 3.41Å; H84-E87 IonicContact ND1-OE2 3.59Å; H84-E87 PolarHBondContact O-N 2.72Å; H84-K88 WeakPolarHBondContact O-CB 3.18Å; H84-K88 WeakPolarHBondContact O-CG 3.43Å; H84-K88 PolarHBondContact O-N 2.69Å |
| 85 | L | 74.8 | Confident | 80.1 | Confident | 107 Ų | 107 | 108 Ų | 108 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 178.8 | -153.1 | 129.8 | 0 | 0 | 0 | 111.7 | T81 E82 I83 K88 D89 | T81-L85 WeakPolarHBondContact O-CB 3.39Å; T81-L85 PolarHBondContact O-N 2.94Å; E82-L85 WeakPolarHBondContact O-CB 3.45Å; E82-L85 PolarHBondContact O-N 3.47Å; I83-L85 PolarHBondContact O-N 3.39Å; L85-K88 PolarHBondContact O-N 2.8Å; L85-D89 PolarHBondContact O-N 3.33Å |
| 86 | R | 82 | Confident | 80.4 | Confident | 195 Ų | 195 | 109.4 Ų | 109.4 | 74% | 0.736 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 177.6 | -71.4 | -172.9 | -175.5 | 165.3 | 4.7 | 113.6 | E82 I83 K88 D89 E90 | E82-R86 PolarHBondContact O-N 3.42Å; I83-R86 PolarHBondContact O-N 3.42Å; R86-K88 VanDerWaalsContact C-N 3.28Å; R86-K88 PolarHBondContact O-N 3.31Å; R86-D89 PolarHBondContact O-N 2.91Å; R86-E90 PolarHBondContact O-N 3.35Å |
| 87 | E | 83.3 | Confident | 80.8 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 175.1 | -68.9 | 178.7 | 156.4 | 0 | 0 | 110.6 | I83 H84 D89 E90 E91 | I83-E87 PolarHBondContact O-N 2.84Å; H84-E87 IonicContact ND1-OE2 3.59Å; H84-E87 PolarHBondContact O-N 2.72Å; E87-D89 VanDerWaalsContact C-N 3.34Å; E87-D89 PolarHBondContact O-N 2.89Å; E87-E90 PolarHBondContact O-N 3.41Å; E87-E91 WeakPolarHBondContact O-CG 3.45Å; E87-E91 PolarHBondContact O-N 3.44Å |
| 88 | K | 79.5 | Confident | 81.1 | Confident | 122 Ų | 122 | 103.5 Ų | 103.5 | 53% | 0.53 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.3 | -34.1 | 176.2 | -69.2 | -71.8 | 158.3 | -152.4 | 0 | 112.7 | H84 L85 R86 E91 M92 | H84-K88 WeakPolarHBondContact O-CB 3.18Å; H84-K88 WeakPolarHBondContact O-CG 3.43Å; H84-K88 PolarHBondContact O-N 2.69Å; L85-K88 PolarHBondContact O-N 2.8Å; R86-K88 VanDerWaalsContact C-N 3.28Å; R86-K88 PolarHBondContact O-N 3.31Å; K88-E91 IonicContact NZ-OE1 3.8Å; K88-E91 IonicContact NZ-OE2 2.97Å; K88-E91 PolarHBondContact NZ-OE2 2.71Å; K88-M92 WeakPolarHBondContact O-CB 3.46Å; K88-M92 PolarHBondContact O-N 2.69Å |
| 89 | D | 83.8 | Confident | 81.1 | Confident | 66 Ų | 66 | 108.8 Ų | 108.8 | 35% | 0.353 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -41 | 176.5 | -76.4 | -28.9 | 0 | 0 | 0 | 112.8 | L85 R86 E87 M92 K93 | L85-D89 PolarHBondContact O-N 3.33Å; R86-D89 PolarHBondContact O-N 2.91Å; E87-D89 VanDerWaalsContact C-N 3.34Å; E87-D89 PolarHBondContact O-N 2.89Å; D89-M92 PolarHBondContact O-N 2.92Å; D89-K93 WeakPolarHBondContact O-CG 3.45Å; D89-K93 PolarHBondContact O-N 3.21Å |
| 90 | E | 82.9 | Confident | 81.4 | Confident | 89 Ų | 89 | 109 Ų | 109 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.1 | -38.7 | 176.1 | -77.8 | -64.4 | 132.7 | 0 | 0 | 112.3 | R86 E87 M92 K93 R94 | R86-E90 PolarHBondContact O-N 3.35Å; E87-E90 PolarHBondContact O-N 3.41Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-K93 PolarHBondContact O-N 3.49Å; E90-K93 IonicContact OE1-NZ 2.64Å; E90-K93 PolarHBondContact OE1-NZ 3.37Å; E90-R94 PolarHBondContact O-N 3.26Å |
| 91 | E | 80 | Confident | 81.8 | Confident | 88 Ų | 88 | 112.7 Ų | 112.7 | 41% | 0.411 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 168 | -75.9 | 179.4 | 172.6 | 0 | 0 | 110.8 | E87 K88 K93 R94 E95 | E87-E91 WeakPolarHBondContact O-CG 3.45Å; E87-E91 PolarHBondContact O-N 3.44Å; K88-E91 IonicContact NZ-OE1 3.8Å; K88-E91 IonicContact NZ-OE2 2.97Å; K88-E91 PolarHBondContact NZ-OE2 2.71Å; E91-K93 VanDerWaalsContact C-N 3.32Å; E91-K93 PolarHBondContact O-N 3.37Å; E91-R94 PolarHBondContact O-N 3.16Å; E91-R94 VanDerWaalsContact O-N 3.16Å; E91-E95 WeakPolarHBondContact O-CB 3.22Å; E91-E95 PolarHBondContact O-N 2.87Å |
| 92 | M | 77.3 | Confident | 82.3 | Confident | 77 Ų | 77 | 112.8 Ų | 112.8 | 38% | 0.379 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -33.1 | -179.3 | -172.9 | -108.2 | -65.6 | 0 | 0 | 112.8 | K88 D89 E90 K96 | K88-M92 WeakPolarHBondContact O-CB 3.46Å; K88-M92 PolarHBondContact O-N 2.69Å; D89-M92 PolarHBondContact O-N 2.92Å; E90-M92 VanDerWaalsContact C-N 3.32Å; M92-K96 VanDerWaalsContact O-CB 3.3Å; M92-K96 WeakPolarHBondContact O-CB 3.28Å; M92-K96 VanDerWaalsContact O-CG 3.25Å; M92-K96 WeakPolarHBondContact O-CG 3.19Å; M92-K96 PolarHBondContact O-N 3.41Å; M92-K96 HydrophobicContact SD-CD 3.65Å; M92-K96 WeakPolarHBondContact SD-CE 3.45Å; M92-K96 HydrophobicContact SD-CG 4.39Å; M92-K96 PolarHBondContact SD-NZ 3.25Å |
| 93 | K | 86.4 | Confident | 82.5 | Confident | 123 Ų | 123 | 108.7 Ų | 108.7 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 171.7 | -76.2 | 179.5 | -168.5 | 163 | 0 | 112.4 | D89 E90 E91 K96 S97 | D89-K93 WeakPolarHBondContact O-CG 3.45Å; D89-K93 PolarHBondContact O-N 3.21Å; E90-K93 PolarHBondContact O-N 3.49Å; E90-K93 IonicContact OE1-NZ 2.64Å; E90-K93 PolarHBondContact OE1-NZ 3.37Å; E91-K93 VanDerWaalsContact C-N 3.32Å; E91-K93 PolarHBondContact O-N 3.37Å; K93-K96 WeakPolarHBondContact O-CB 3.14Å; K93-K96 PolarHBondContact O-N 3.36Å; K93-S97 PolarHBondContact O-N 3.26Å; K93-S97 PolarHBondContact O-OG 2.7Å |
| 94 | R | 83.8 | Confident | 82.7 | Confident | 157 Ų | 157 | 106.4 Ų | 106.4 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -40.6 | 176.9 | -64.6 | -174.5 | -149.9 | 119.4 | 7.3 | 111.6 | E90 E91 K96 S97 A98 | E90-R94 PolarHBondContact O-N 3.26Å; E91-R94 PolarHBondContact O-N 3.16Å; E91-R94 VanDerWaalsContact O-N 3.16Å; R94-K96 VanDerWaalsContact C-N 3.31Å; R94-K96 PolarHBondContact O-N 2.87Å; R94-S97 WeakPolarHBondContact CA-OG 3.11Å; R94-S97 PolarHBondContact O-N 2.87Å; R94-S97 PolarHBondContact O-OG 3.08Å; R94-A98 WeakPolarHBondContact O-CB 3.46Å; R94-A98 PolarHBondContact O-N 2.72Å |
| 95 | E | 82.3 | Confident | 83.2 | Confident | 140 Ų | 140 | 106.5 Ų | 106.5 | 65% | 0.654 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -37.6 | 176 | -144.4 | 75.7 | -172.4 | 0 | 0 | 110.9 | E91 R99 | E91-E95 WeakPolarHBondContact O-CB 3.22Å; E91-E95 PolarHBondContact O-N 2.87Å; E95-R99 WeakPolarHBondContact O-CB 3.1Å; E95-R99 PolarHBondContact O-N 3.05Å |
| 96 | K | 85.1 | Confident | 83.6 | Confident | 118 Ų | 118 | 106.3 Ų | 106.3 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 174.3 | -83.8 | 175.3 | 171.7 | 173.2 | 0 | 112.4 | M92 K93 R94 R99 I100 | M92-K96 VanDerWaalsContact O-CB 3.3Å; M92-K96 WeakPolarHBondContact O-CB 3.28Å; M92-K96 VanDerWaalsContact O-CG 3.25Å; M92-K96 WeakPolarHBondContact O-CG 3.19Å; M92-K96 PolarHBondContact O-N 3.41Å; M92-K96 HydrophobicContact SD-CD 3.65Å; M92-K96 WeakPolarHBondContact SD-CE 3.45Å; M92-K96 HydrophobicContact SD-CG 4.39Å; M92-K96 PolarHBondContact SD-NZ 3.25Å; K93-K96 WeakPolarHBondContact O-CB 3.14Å; K93-K96 PolarHBondContact O-N 3.36Å; R94-K96 VanDerWaalsContact C-N 3.31Å; R94-K96 PolarHBondContact O-N 2.87Å; K96-R99 PolarHBondContact O-N 3.31Å; K96-I100 VanDerWaalsContact O-CG1 3.27Å; K96-I100 WeakPolarHBondContact O-CG1 3.19Å; K96-I100 PolarHBondContact O-N 3.18Å |
| 97 | S | 86 | Confident | 83.9 | Confident | 63 Ų | 63 | 103.5 Ų | 103.5 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 176.8 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | K93 R94 R99 I100 E101 | K93-S97 PolarHBondContact O-N 3.26Å; K93-S97 PolarHBondContact O-OG 2.7Å; R94-S97 WeakPolarHBondContact CA-OG 3.11Å; R94-S97 PolarHBondContact O-N 2.87Å; R94-S97 PolarHBondContact O-OG 3.08Å; S97-R99 VanDerWaalsContact C-N 3.32Å; S97-R99 PolarHBondContact O-N 3.21Å; S97-I100 PolarHBondContact O-N 2.77Å; S97-I100 VanDerWaalsContact O-N 3.15Å; S97-E101 PolarHBondContact O-N 2.77Å |
| 98 | A | 82.2 | Confident | 84 | Confident | 45 Ų | 45 | 102.3 Ų | 102.3 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R94 I100 E101 V102 | R94-A98 WeakPolarHBondContact O-CB 3.46Å; R94-A98 PolarHBondContact O-N 2.72Å; A98-I100 VanDerWaalsContact C-N 3.34Å; A98-I100 PolarHBondContact O-N 3.4Å; A98-E101 PolarHBondContact O-N 3.3Å; A98-V102 WeakPolarHBondContact O-CB 3.2Å; A98-V102 VanDerWaalsContact O-CG2 3.28Å; A98-V102 WeakPolarHBondContact O-CG2 3.06Å; A98-V102 PolarHBondContact O-N 3.27Å |
| 99 | R | 80.8 | Confident | 84.4 | Confident | 202 Ų | 202 | 101.5 Ų | 101.5 | 76% | 0.762 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -35.5 | 174.3 | -178.8 | 179.3 | 175.3 | 176.4 | -0.1 | 112.6 | E95 K96 S97 G103 | E95-R99 WeakPolarHBondContact O-CB 3.1Å; E95-R99 PolarHBondContact O-N 3.05Å; K96-R99 PolarHBondContact O-N 3.31Å; S97-R99 VanDerWaalsContact C-N 3.32Å; S97-R99 PolarHBondContact O-N 3.21Å; R99-G103 WeakPolarHBondContact O-CA 3.4Å; R99-G103 PolarHBondContact O-N 2.65Å |
| 100 | I | 85.5 | Confident | 84.5 | Confident | 112 Ų | 112 | 104.7 Ų | 104.7 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.7 | -44.8 | 176.2 | -69.2 | 163 | 0 | 0 | 0 | 110.1 | K96 S97 A98 G103 C104 | K96-I100 VanDerWaalsContact O-CG1 3.27Å; K96-I100 WeakPolarHBondContact O-CG1 3.19Å; K96-I100 PolarHBondContact O-N 3.18Å; S97-I100 PolarHBondContact O-N 2.77Å; S97-I100 VanDerWaalsContact O-N 3.15Å; A98-I100 VanDerWaalsContact C-N 3.34Å; A98-I100 PolarHBondContact O-N 3.4Å; I100-G103 CarbonylContact O-C 3.59Å; I100-G103 PolarHBondContact O-N 3.36Å; I100-C104 PolarHBondContact O-N 2.94Å; I100-C104 PolarHBondContact O-SG 3.49Å; I100-C104 VanDerWaalsContact O-SG 3.32Å |
| 101 | E | 86.7 | Confident | 84.7 | Confident | 135 Ų | 135 | 104.6 Ų | 104.6 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.2 | -51.6 | 175.6 | -72.8 | 176.4 | 176.7 | 0 | 0 | 111.4 | S97 A98 G103 C104 D105 | S97-E101 PolarHBondContact O-N 2.77Å; A98-E101 PolarHBondContact O-N 3.3Å; E101-G103 PolarHBondContact O-N 3.08Å; E101-C104 WeakPolarHBondContact O-CB 3.48Å; E101-C104 PolarHBondContact O-N 3.14Å; E101-C104 VanDerWaalsContact O-N 3.13Å; E101-D105 PolarHBondContact O-N 3.07Å |
| 102 | V | 84.1 | Confident | 85 | Confident | 80 Ų | 80 | 105.6 Ų | 105.6 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -34.4 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | A98 D105 L106 | A98-V102 WeakPolarHBondContact O-CB 3.2Å; A98-V102 VanDerWaalsContact O-CG2 3.28Å; A98-V102 WeakPolarHBondContact O-CG2 3.06Å; A98-V102 PolarHBondContact O-N 3.27Å; V102-D105 PolarHBondContact O-N 2.64Å; V102-L106 HydrophobicContact CG1-CD1 3.9Å; V102-L106 HydrophobicContact CG1-CG 4.25Å; V102-L106 VanDerWaalsContact O-CB 3.27Å; V102-L106 WeakPolarHBondContact O-CB 3.27Å; V102-L106 WeakPolarHBondContact O-CG 3.29Å; V102-L106 PolarHBondContact O-N 3.5Å |
| 103 | G | 86.4 | Confident | 85.5 | Confident | 34 Ų | 34 | 106.1 Ų | 106.1 | 35% | 0.351 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R99 I100 E101 Y107 | R99-G103 WeakPolarHBondContact O-CA 3.4Å; R99-G103 PolarHBondContact O-N 2.65Å; I100-G103 CarbonylContact O-C 3.59Å; I100-G103 PolarHBondContact O-N 3.36Å; E101-G103 PolarHBondContact O-N 3.08Å; G103-Y107 VanDerWaalsContact O-CB 3.31Å; G103-Y107 WeakPolarHBondContact O-CB 3.5Å; G103-Y107 PolarHBondContact O-N 3.25Å |
| 104 | C | 86.7 | Confident | 85.5 | Confident | 68 Ų | 68 | 102.6 Ų | 102.6 | 46% | 0.459 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 173.4 | -70.8 | 0 | 0 | 0 | 0 | 111.1 | I100 E101 Y107 N108 | I100-C104 PolarHBondContact O-N 2.94Å; I100-C104 PolarHBondContact O-SG 3.49Å; I100-C104 VanDerWaalsContact O-SG 3.32Å; E101-C104 WeakPolarHBondContact O-CB 3.48Å; E101-C104 PolarHBondContact O-N 3.14Å; E101-C104 VanDerWaalsContact O-N 3.13Å; C104-Y107 PolarHBondContact O-N 3.14Å; C104-N108 VanDerWaalsContact O-CG 3.29Å; C104-N108 PolarHBondContact O-N 3.32Å; C104-N108 PolarHBondContact O-ND2 3.13Å |
| 105 | D | 86.8 | Confident | 85.7 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 176.6 | -69.1 | -18.8 | 0 | 0 | 0 | 111.3 | E101 V102 Y107 N108 L109 | E101-D105 PolarHBondContact O-N 3.07Å; V102-D105 PolarHBondContact O-N 2.64Å; D105-Y107 VanDerWaalsContact C-N 3.33Å; D105-Y107 PolarHBondContact O-N 2.77Å; D105-N108 PolarHBondContact O-N 3.47Å; D105-L109 WeakPolarHBondContact O-CB 3.27Å; D105-L109 PolarHBondContact O-N 3.49Å |
| 106 | L | 83.6 | Confident | 85.9 | Confident | 104 Ų | 104 | 101.3 Ų | 101.3 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 175.4 | -78 | 172.1 | 0 | 0 | 0 | 112.2 | V102 L109 Q110 | V102-L106 HydrophobicContact CG1-CD1 3.9Å; V102-L106 HydrophobicContact CG1-CG 4.25Å; V102-L106 VanDerWaalsContact O-CB 3.27Å; V102-L106 WeakPolarHBondContact O-CB 3.27Å; V102-L106 WeakPolarHBondContact O-CG 3.29Å; V102-L106 PolarHBondContact O-N 3.5Å; L106-L109 PolarHBondContact O-N 2.88Å; L106-Q110 WeakPolarHBondContact O-CB 3.24Å; L106-Q110 PolarHBondContact O-N 3.35Å |
| 107 | Y | 87.9 | Confident | 86 | Confident | 136 Ų | 136 | 100.9 Ų | 100.9 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 177.1 | -177.3 | -104.6 | 0 | 0 | 0 | 111.5 | G103 C104 D105 Q110 Q111 | G103-Y107 VanDerWaalsContact O-CB 3.31Å; G103-Y107 WeakPolarHBondContact O-CB 3.5Å; G103-Y107 PolarHBondContact O-N 3.25Å; C104-Y107 PolarHBondContact O-N 3.14Å; D105-Y107 VanDerWaalsContact C-N 3.33Å; D105-Y107 PolarHBondContact O-N 2.77Å; Y107-Q110 PolarHBondContact O-N 2.89Å; Y107-Q111 HydrophobicContact CE1-CG 4.29Å; Y107-Q111 WeakPolarHBondContact O-CG 3.22Å; Y107-Q111 PolarHBondContact O-N 3.07Å; Y107-Q111 PolarHBondContact OH-NE2 3.33Å; Y107-Q111 VanDerWaalsContact OH-NE2 3.07Å |
| 108 | N | 87.3 | Confident | 86.1 | Confident | 85 Ų | 85 | 103 Ų | 103 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 174.1 | -68.7 | -25.7 | 0 | 0 | 0 | 111.2 | C104 D105 Q110 Q111 E112 | C104-N108 VanDerWaalsContact O-CG 3.29Å; C104-N108 PolarHBondContact O-N 3.32Å; C104-N108 PolarHBondContact O-ND2 3.13Å; D105-N108 PolarHBondContact O-N 3.47Å; N108-Q110 VanDerWaalsContact C-N 3.26Å; N108-Q110 PolarHBondContact O-N 2.85Å; N108-Q111 PolarHBondContact O-N 3.35Å; N108-Q111 VanDerWaalsContact O-N 3.17Å; N108-E112 PolarHBondContact O-N 3.16Å |
| 109 | L | 86.1 | Confident | 86.5 | Confident | 106 Ų | 106 | 106.2 Ų | 106.2 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -38.4 | 175.4 | -134.4 | 91.3 | 0 | 0 | 0 | 111.4 | D105 L106 E112 L113 | D105-L109 WeakPolarHBondContact O-CB 3.27Å; D105-L109 PolarHBondContact O-N 3.49Å; L106-L109 PolarHBondContact O-N 2.88Å; L109-E112 PolarHBondContact O-N 2.83Å; L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 PolarHBondContact O-N 3.35Å |
| 110 | Q | 86.3 | Confident | 86.7 | Confident | 133 Ų | 133 | 101.4 Ų | 101.4 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.2 | -35.9 | 177.9 | -170.5 | 173.2 | 6.1 | 0 | 0 | 111.7 | L106 Y107 N108 A114 | L106-Q110 WeakPolarHBondContact O-CB 3.24Å; L106-Q110 PolarHBondContact O-N 3.35Å; Y107-Q110 PolarHBondContact O-N 2.89Å; N108-Q110 VanDerWaalsContact C-N 3.26Å; N108-Q110 PolarHBondContact O-N 2.85Å; Q110-A114 VanDerWaalsContact O-CB 3.26Å; Q110-A114 WeakPolarHBondContact O-CB 3.49Å; Q110-A114 PolarHBondContact O-N 3.16Å |
| 111 | Q | 87.1 | Confident | 86.9 | Confident | 87 Ų | 87 | 100.3 Ų | 100.3 | 41% | 0.407 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 172 | -72.6 | -165.4 | 1.1 | 0 | 0 | 112.4 | Y107 N108 K115 | Y107-Q111 HydrophobicContact CE1-CG 4.29Å; Y107-Q111 WeakPolarHBondContact O-CG 3.22Å; Y107-Q111 PolarHBondContact O-N 3.07Å; Y107-Q111 PolarHBondContact OH-NE2 3.33Å; Y107-Q111 VanDerWaalsContact OH-NE2 3.07Å; N108-Q111 PolarHBondContact O-N 3.35Å; N108-Q111 VanDerWaalsContact O-N 3.17Å; Q111-K115 WeakPolarHBondContact O-CG 3.23Å; Q111-K115 PolarHBondContact O-N 2.7Å |
| 112 | E | 87.9 | Confident | 87.1 | Confident | 109 Ų | 109 | 97.6 Ų | 97.6 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 173.6 | -71.4 | -178.8 | 174.8 | 0 | 0 | 111.3 | N108 L109 A114 K115 F116 | N108-E112 PolarHBondContact O-N 3.16Å; L109-E112 PolarHBondContact O-N 2.83Å; E112-A114 PolarHBondContact O-N 3.36Å; E112-K115 WeakPolarHBondContact O-CB 3.43Å; E112-K115 PolarHBondContact O-N 3.17Å; E112-F116 HydrophobicContact CB-CE2 4.41Å; E112-F116 WeakPolarHBondContact O-CD2 3.25Å; E112-F116 PolarHBondContact O-N 3.07Å |
| 113 | L | 87.3 | Confident | 87.3 | Confident | 87 Ų | 87 | 99.8 Ų | 99.8 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 177.6 | -162 | 155.3 | 0 | 0 | 0 | 111.3 | L109 K115 F116 Q117 | L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 PolarHBondContact O-N 3.35Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 3.01Å; L113-F116 PolarHBondContact O-N 3.02Å; L113-Q117 HydrophobicContact CD2-CG 3.81Å; L113-Q117 VanDerWaalsContact CD2-NE2 3.29Å; L113-Q117 WeakPolarHBondContact O-CB 3.31Å; L113-Q117 WeakPolarHBondContact O-CG 3.29Å; L113-Q117 PolarHBondContact O-N 3.13Å |
| 114 | A | 86.2 | Confident | 87.3 | Confident | 50 Ų | 50 | 103.3 Ų | 103.3 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q110 E112 Q117 L118 | Q110-A114 VanDerWaalsContact O-CB 3.26Å; Q110-A114 WeakPolarHBondContact O-CB 3.49Å; Q110-A114 PolarHBondContact O-N 3.16Å; E112-A114 PolarHBondContact O-N 3.36Å; A114-Q117 PolarHBondContact O-N 3.42Å; A114-L118 WeakPolarHBondContact O-CB 3.39Å; A114-L118 PolarHBondContact O-N 3.2Å |
| 115 | K | 87.2 | Confident | 87.4 | Confident | 135 Ų | 135 | 104.8 Ų | 104.8 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 172.4 | -74.7 | 174.1 | -177.7 | 173.3 | 0 | 111.5 | Q111 E112 L113 L118 Q119 | Q111-K115 WeakPolarHBondContact O-CG 3.23Å; Q111-K115 PolarHBondContact O-N 2.7Å; E112-K115 WeakPolarHBondContact O-CB 3.43Å; E112-K115 PolarHBondContact O-N 3.17Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 3.01Å; K115-L118 PolarHBondContact O-N 3.26Å; K115-Q119 WeakPolarHBondContact O-CB 3.12Å; K115-Q119 VanDerWaalsContact O-CG 3.29Å; K115-Q119 WeakPolarHBondContact O-CG 3.25Å; K115-Q119 PolarHBondContact O-N 3Å |
| 116 | F | 86.9 | Confident | 87.6 | Confident | 134 Ų | 134 | 103.8 Ų | 103.8 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.4 | -39.1 | 176.8 | -71.6 | -53.3 | 0 | 0 | 0 | 112.3 | E112 L113 Q119 L120 | E112-F116 HydrophobicContact CB-CE2 4.41Å; E112-F116 WeakPolarHBondContact O-CD2 3.25Å; E112-F116 PolarHBondContact O-N 3.07Å; L113-F116 PolarHBondContact O-N 3.02Å; F116-Q119 PolarHBondContact O-N 2.81Å; F116-L120 WeakPolarHBondContact O-CB 3.35Å; F116-L120 PolarHBondContact O-N 2.8Å |
| 117 | Q | 87.2 | Confident | 87.8 | Confident | 109 Ų | 109 | 105.9 Ų | 105.9 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 173.1 | -79.2 | 178.3 | -23.3 | 0 | 0 | 111.3 | L113 A114 Q119 L120 D121 | L113-Q117 HydrophobicContact CD2-CG 3.81Å; L113-Q117 VanDerWaalsContact CD2-NE2 3.29Å; L113-Q117 WeakPolarHBondContact O-CB 3.31Å; L113-Q117 WeakPolarHBondContact O-CG 3.29Å; L113-Q117 PolarHBondContact O-N 3.13Å; A114-Q117 PolarHBondContact O-N 3.42Å; Q117-Q119 VanDerWaalsContact C-N 3.29Å; Q117-Q119 PolarHBondContact O-N 2.9Å; Q117-L120 CarbonylContact O-C 3.6Å; Q117-L120 WeakPolarHBondContact O-CB 3.43Å; Q117-L120 PolarHBondContact O-N 3.41Å; Q117-L120 VanDerWaalsContact O-N 3.08Å; Q117-D121 WeakPolarHBondContact O-CB 3.42Å; Q117-D121 PolarHBondContact O-N 3.14Å |
| 118 | L | 89.2 | Confident | 87.9 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.5 | -40.5 | 175.4 | -168.4 | 85 | 0 | 0 | 0 | 111.8 | A114 K115 N122 | A114-L118 WeakPolarHBondContact O-CB 3.39Å; A114-L118 PolarHBondContact O-N 3.2Å; K115-L118 PolarHBondContact O-N 3.26Å; L118-N122 WeakPolarHBondContact O-CB 3.38Å; L118-N122 PolarHBondContact O-N 3.34Å; L118-N122 PolarHBondContact O-ND2 3.45Å |
| 119 | Q | 88.9 | Confident | 88 | Confident | 113 Ų | 113 | 104 Ų | 104 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 174.7 | -74.5 | 175.8 | 2.9 | 0 | 0 | 112 | K115 F116 Q117 N122 K123 | K115-Q119 WeakPolarHBondContact O-CB 3.12Å; K115-Q119 VanDerWaalsContact O-CG 3.29Å; K115-Q119 WeakPolarHBondContact O-CG 3.25Å; K115-Q119 PolarHBondContact O-N 3Å; F116-Q119 PolarHBondContact O-N 2.81Å; Q117-Q119 VanDerWaalsContact C-N 3.29Å; Q117-Q119 PolarHBondContact O-N 2.9Å; Q119-N122 PolarHBondContact O-N 2.84Å; Q119-K123 WeakPolarHBondContact O-CB 3.45Å; Q119-K123 VanDerWaalsContact O-CG 3.25Å; Q119-K123 WeakPolarHBondContact O-CG 3.43Å; Q119-K123 PolarHBondContact O-N 3.43Å |
| 120 | L | 86.8 | Confident | 88.1 | Confident | 101 Ų | 101 | 106.6 Ų | 106.6 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 177.8 | -154.8 | 106.4 | 0 | 0 | 0 | 111.3 | F116 Q117 K123 H124 | F116-L120 WeakPolarHBondContact O-CB 3.35Å; F116-L120 PolarHBondContact O-N 2.8Å; Q117-L120 CarbonylContact O-C 3.6Å; Q117-L120 WeakPolarHBondContact O-CB 3.43Å; Q117-L120 PolarHBondContact O-N 3.41Å; Q117-L120 VanDerWaalsContact O-N 3.08Å; L120-K123 CarbonylContact O-C 3.6Å; L120-K123 PolarHBondContact O-N 2.84Å; L120-H124 WeakPolarHBondContact O-CB 3.31Å; L120-H124 PolarHBondContact O-N 3.28Å |
| 121 | D | 88.1 | Confident | 88.1 | Confident | 89 Ų | 89 | 104.1 Ų | 104.1 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.4 | -72.7 | -17.9 | 0 | 0 | 0 | 110.9 | Q117 K123 H124 N125 | Q117-D121 WeakPolarHBondContact O-CB 3.42Å; Q117-D121 PolarHBondContact O-N 3.14Å; D121-K123 VanDerWaalsContact C-N 3.32Å; D121-K123 PolarHBondContact O-N 3.41Å; D121-H124 PolarHBondContact O-N 3.27Å; D121-N125 WeakPolarHBondContact O-CB 3.2Å; D121-N125 PolarHBondContact O-N 3.24Å; D121-N125 PolarHBondContact O-ND2 3.39Å |
| 122 | N | 91.4 | Very high | 88.2 | Confident | 78 Ų | 78 | 101.3 Ų | 101.3 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 172.6 | -72.1 | -21.1 | 0 | 0 | 0 | 111.4 | L118 Q119 N125 E126 | L118-N122 WeakPolarHBondContact O-CB 3.38Å; L118-N122 PolarHBondContact O-N 3.34Å; L118-N122 PolarHBondContact O-ND2 3.45Å; Q119-N122 PolarHBondContact O-N 2.84Å; N122-N125 PolarHBondContact O-N 2.92Å; N122-E126 WeakPolarHBondContact O-CB 3.13Å; N122-E126 WeakPolarHBondContact O-CG 3.27Å; N122-E126 PolarHBondContact O-N 3.3Å |
| 123 | K | 88.7 | Confident | 88.4 | Confident | 126 Ų | 126 | 102 Ų | 102 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -35.9 | 175.7 | -70.9 | -72.9 | 159.5 | -151.4 | 0 | 112.6 | Q119 L120 D121 E126 Y127 | Q119-K123 WeakPolarHBondContact O-CB 3.45Å; Q119-K123 VanDerWaalsContact O-CG 3.25Å; Q119-K123 WeakPolarHBondContact O-CG 3.43Å; Q119-K123 PolarHBondContact O-N 3.43Å; L120-K123 CarbonylContact O-C 3.6Å; L120-K123 PolarHBondContact O-N 2.84Å; D121-K123 VanDerWaalsContact C-N 3.32Å; D121-K123 PolarHBondContact O-N 3.41Å; K123-E126 IonicContact NZ-OE1 2.86Å; K123-E126 IonicContact NZ-OE2 3.35Å; K123-E126 PolarHBondContact NZ-OE2 2.8Å; K123-Y127 WeakPolarHBondContact O-CB 3.49Å; K123-Y127 PolarHBondContact O-N 3.11Å |
| 124 | H | 87 | Confident | 88.4 | Confident | 108 Ų | 108 | 104.2 Ų | 104.2 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 173.5 | -87.5 | -48.4 | 0 | 0 | 0 | 111.9 | L120 D121 Y127 A128 | L120-H124 WeakPolarHBondContact O-CB 3.31Å; L120-H124 PolarHBondContact O-N 3.28Å; D121-H124 PolarHBondContact O-N 3.27Å; H124-Y127 PolarHBondContact O-N 2.94Å; H124-A128 VanDerWaalsContact O-CB 3.28Å; H124-A128 WeakPolarHBondContact O-CB 3.45Å; H124-A128 PolarHBondContact O-N 3.3Å |
| 125 | N | 88.7 | Confident | 88.5 | Confident | 98 Ų | 98 | 104.8 Ų | 104.8 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 174 | -71.5 | -24 | 0 | 0 | 0 | 111 | D121 N122 Y127 A128 E129 | D121-N125 WeakPolarHBondContact O-CB 3.2Å; D121-N125 PolarHBondContact O-N 3.24Å; D121-N125 PolarHBondContact O-ND2 3.39Å; N122-N125 PolarHBondContact O-N 2.92Å; N125-Y127 VanDerWaalsContact C-N 3.33Å; N125-Y127 PolarHBondContact O-N 3.31Å; N125-A128 PolarHBondContact O-N 3.38Å; N125-E129 WeakPolarHBondContact O-CG 3.27Å; N125-E129 PolarHBondContact O-N 3.08Å |
| 126 | E | 89.8 | Confident | 88.6 | Confident | 84 Ų | 84 | 103 Ų | 103 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 172 | -75.4 | 173.2 | -167 | 0 | 0 | 110.7 | N122 K123 E129 Y130 | N122-E126 WeakPolarHBondContact O-CB 3.13Å; N122-E126 WeakPolarHBondContact O-CG 3.27Å; N122-E126 PolarHBondContact O-N 3.3Å; K123-E126 IonicContact NZ-OE1 2.86Å; K123-E126 IonicContact NZ-OE2 3.35Å; K123-E126 PolarHBondContact NZ-OE2 2.8Å; E126-E129 PolarHBondContact O-N 3.22Å; E126-Y130 WeakPolarHBondContact O-CD2 3.41Å; E126-Y130 PolarHBondContact O-N 2.8Å |
| 127 | Y | 89.3 | Confident | 88.6 | Confident | 148 Ų | 148 | 99.4 Ų | 99.4 | 58% | 0.58 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 177.5 | -178.3 | -92.4 | 0 | 0 | 0 | 112.2 | K123 H124 N125 E129 Y130 H131 | K123-Y127 WeakPolarHBondContact O-CB 3.49Å; K123-Y127 PolarHBondContact O-N 3.11Å; H124-Y127 PolarHBondContact O-N 2.94Å; N125-Y127 VanDerWaalsContact C-N 3.33Å; N125-Y127 PolarHBondContact O-N 3.31Å; Y127-E129 VanDerWaalsContact C-N 3.35Å; Y127-E129 PolarHBondContact O-N 2.87Å; Y127-Y130 PolarHBondContact O-N 2.86Å; Y127-H131 HydrophobicContact CD1-CB 4.47Å; Y127-H131 HydrophobicContact CE1-CB 4.25Å; Y127-H131 WeakPolarHBondContact O-CB 3.32Å; Y127-H131 PolarHBondContact O-N 3.39Å |
| 128 | A | 88.3 | Confident | 88.6 | Confident | 57 Ų | 57 | 97.8 Ų | 97.8 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | H124 N125 G132 | H124-A128 VanDerWaalsContact O-CB 3.28Å; H124-A128 WeakPolarHBondContact O-CB 3.45Å; H124-A128 PolarHBondContact O-N 3.3Å; N125-A128 PolarHBondContact O-N 3.38Å; A128-G132 PolarHBondContact O-N 3.17Å |
| 129 | E | 89.1 | Confident | 88.7 | Confident | 124 Ų | 124 | 97 Ų | 97 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 172.3 | -76.3 | -171 | -175.3 | 0 | 0 | 112.2 | N125 E126 Y127 K133 | N125-E129 WeakPolarHBondContact O-CG 3.27Å; N125-E129 PolarHBondContact O-N 3.08Å; E126-E129 PolarHBondContact O-N 3.22Å; Y127-E129 VanDerWaalsContact C-N 3.35Å; Y127-E129 PolarHBondContact O-N 2.87Å; E129-K133 WeakPolarHBondContact O-CB 3.46Å; E129-K133 VanDerWaalsContact O-CG 3.26Å; E129-K133 WeakPolarHBondContact O-CG 3.44Å; E129-K133 PolarHBondContact O-N 3.35Å |
| 130 | Y | 88.7 | Confident | 88.7 | Confident | 161 Ų | 161 | 98.7 Ų | 98.7 | 63% | 0.631 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.6 | -39.9 | 176.6 | -78.8 | -64.1 | 0 | 0 | 0 | 111.8 | E126 Y127 K133 Y134 | E126-Y130 WeakPolarHBondContact O-CD2 3.41Å; E126-Y130 PolarHBondContact O-N 2.8Å; Y127-Y130 PolarHBondContact O-N 2.86Å; Y130-K133 PolarHBondContact O-N 3.15Å; Y130-Y134 WeakPolarHBondContact O-CB 3.48Å; Y130-Y134 PolarHBondContact O-N 3.44Å |
| 131 | H | 87.4 | Confident | 88.6 | Confident | 81 Ų | 81 | 97.3 Ų | 97.3 | 38% | 0.375 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 177.7 | -163.7 | 42.8 | 0 | 0 | 0 | 111 | Y127 K133 Y134 D135 | Y127-H131 HydrophobicContact CD1-CB 4.47Å; Y127-H131 HydrophobicContact CE1-CB 4.25Å; Y127-H131 WeakPolarHBondContact O-CB 3.32Å; Y127-H131 PolarHBondContact O-N 3.39Å; H131-K133 VanDerWaalsContact C-N 3.32Å; H131-K133 PolarHBondContact O-N 2.81Å; H131-Y134 CarbonylContact O-C 3.56Å; H131-Y134 WeakPolarHBondContact O-CA 3.4Å; H131-Y134 WeakPolarHBondContact O-CB 3.42Å; H131-Y134 PolarHBondContact O-N 3.41Å; H131-Y134 VanDerWaalsContact O-N 3.09Å; H131-D135 IonicContact CD2-OD2 3.77Å; H131-D135 IonicContact CE1-OD1 3.61Å; H131-D135 IonicContact CE1-OD2 2.76Å; H131-D135 IonicContact NE2-OD2 2.75Å; H131-D135 WeakPolarHBondContact O-CB 3.29Å; H131-D135 PolarHBondContact O-N 2.7Å |
| 132 | G | 89 | Confident | 88.6 | Confident | 28 Ų | 28 | 95.6 Ų | 95.6 | 29% | 0.289 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.5 | -36 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A128 N136 | A128-G132 PolarHBondContact O-N 3.17Å; G132-N136 VanDerWaalsContact O-CB 3.23Å; G132-N136 WeakPolarHBondContact O-CB 3.49Å; G132-N136 VanDerWaalsContact O-CG 3.24Å; G132-N136 PolarHBondContact O-N 3.11Å; G132-N136 PolarHBondContact O-ND2 3.04Å |
| 133 | K | 90.6 | Very high | 88.5 | Confident | 123 Ų | 123 | 94.9 Ų | 94.9 | 54% | 0.535 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 170.9 | -74.7 | 167.6 | -173.9 | 161.2 | 0 | 111.7 | E129 Y130 H131 A137 | E129-K133 WeakPolarHBondContact O-CB 3.46Å; E129-K133 VanDerWaalsContact O-CG 3.26Å; E129-K133 WeakPolarHBondContact O-CG 3.44Å; E129-K133 PolarHBondContact O-N 3.35Å; Y130-K133 PolarHBondContact O-N 3.15Å; H131-K133 VanDerWaalsContact C-N 3.32Å; H131-K133 PolarHBondContact O-N 2.81Å; K133-A137 WeakPolarHBondContact O-CB 3.46Å; K133-A137 PolarHBondContact O-N 3.4Å |
| 134 | Y | 88.9 | Confident | 88.4 | Confident | 134 Ų | 134 | 94.7 Ų | 94.7 | 53% | 0.525 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 176 | 176.1 | -93.3 | 0 | 0 | 0 | 111.5 | Y130 H131 N136 A137 Q138 | Y130-Y134 WeakPolarHBondContact O-CB 3.48Å; Y130-Y134 PolarHBondContact O-N 3.44Å; H131-Y134 CarbonylContact O-C 3.56Å; H131-Y134 WeakPolarHBondContact O-CA 3.4Å; H131-Y134 WeakPolarHBondContact O-CB 3.42Å; H131-Y134 PolarHBondContact O-N 3.41Å; H131-Y134 VanDerWaalsContact O-N 3.09Å; Y134-N136 PolarHBondContact O-N 3.43Å; Y134-A137 CarbonylContact O-C 3.55Å; Y134-A137 WeakPolarHBondContact O-CB 3.23Å; Y134-A137 PolarHBondContact O-N 2.69Å; Y134-A137 VanDerWaalsContact O-N 3.12Å; Y134-Q138 WeakPolarHBondContact O-CB 3.29Å; Y134-Q138 PolarHBondContact O-N 2.99Å |
| 135 | D | 88 | Confident | 88.5 | Confident | 62 Ų | 62 | 97.2 Ų | 97.2 | 33% | 0.332 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 178.1 | -72 | -15.6 | 0 | 0 | 0 | 111.3 | H131 A137 Q138 N139 | H131-D135 IonicContact CD2-OD2 3.77Å; H131-D135 IonicContact CE1-OD1 3.61Å; H131-D135 IonicContact CE1-OD2 2.76Å; H131-D135 IonicContact NE2-OD2 2.75Å; H131-D135 WeakPolarHBondContact O-CB 3.29Å; H131-D135 PolarHBondContact O-N 2.7Å; D135-A137 VanDerWaalsContact C-N 3.34Å; D135-A137 PolarHBondContact O-N 2.83Å; D135-Q138 PolarHBondContact O-N 3.02Å; D135-N139 VanDerWaalsContact O-CB 3.24Å; D135-N139 WeakPolarHBondContact O-CB 3.33Å; D135-N139 PolarHBondContact O-N 3.07Å; D135-N139 PolarHBondContact O-ND2 2.99Å |
| 136 | N | 89.3 | Confident | 88.6 | Confident | 98 Ų | 98 | 97.9 Ų | 97.9 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 172.9 | -82.1 | -40.2 | 0 | 0 | 0 | 112.4 | G132 Y134 K140 | G132-N136 VanDerWaalsContact O-CB 3.23Å; G132-N136 WeakPolarHBondContact O-CB 3.49Å; G132-N136 VanDerWaalsContact O-CG 3.24Å; G132-N136 PolarHBondContact O-N 3.11Å; G132-N136 PolarHBondContact O-ND2 3.04Å; Y134-N136 PolarHBondContact O-N 3.43Å; N136-K140 WeakPolarHBondContact O-CB 3.35Å; N136-K140 WeakPolarHBondContact O-CG 3.35Å; N136-K140 PolarHBondContact O-N 3.47Å |
| 137 | A | 86.8 | Confident | 88.6 | Confident | 57 Ų | 57 | 101.1 Ų | 101.1 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K133 Y134 D135 K140 L141 | K133-A137 WeakPolarHBondContact O-CB 3.46Å; K133-A137 PolarHBondContact O-N 3.4Å; Y134-A137 CarbonylContact O-C 3.55Å; Y134-A137 WeakPolarHBondContact O-CB 3.23Å; Y134-A137 PolarHBondContact O-N 2.69Å; Y134-A137 VanDerWaalsContact O-N 3.12Å; D135-A137 VanDerWaalsContact C-N 3.34Å; D135-A137 PolarHBondContact O-N 2.83Å; A137-K140 PolarHBondContact O-N 3.28Å; A137-L141 WeakPolarHBondContact O-CB 3.33Å; A137-L141 PolarHBondContact O-N 3.46Å |
| 138 | Q | 87.5 | Confident | 88.4 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 177.5 | -166.4 | 72.2 | -12.7 | 0 | 0 | 111.3 | Y134 D135 L141 T142 | Y134-Q138 WeakPolarHBondContact O-CB 3.29Å; Y134-Q138 PolarHBondContact O-N 2.99Å; D135-Q138 PolarHBondContact O-N 3.02Å; Q138-L141 CarbonylContact O-C 3.54Å; Q138-L141 WeakPolarHBondContact O-CA 3.07Å; Q138-L141 WeakPolarHBondContact O-CB 3.39Å; Q138-L141 PolarHBondContact O-N 3.5Å; Q138-L141 VanDerWaalsContact O-N 3.11Å; Q138-T142 WeakPolarHBondContact O-CG2 3.46Å; Q138-T142 PolarHBondContact O-N 2.9Å; Q138-T142 PolarHBondContact O-OG1 3.44Å |
| 139 | N | 90.2 | Very high | 88.6 | Confident | 93 Ų | 93 | 102.8 Ų | 102.8 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 173.9 | -71.9 | -21 | 0 | 0 | 0 | 111.7 | D135 L141 T142 T143 | D135-N139 VanDerWaalsContact O-CB 3.24Å; D135-N139 WeakPolarHBondContact O-CB 3.33Å; D135-N139 PolarHBondContact O-N 3.07Å; D135-N139 PolarHBondContact O-ND2 2.99Å; N139-L141 VanDerWaalsContact C-N 3.32Å; N139-T142 VanDerWaalsContact CA-OG1 3.31Å; N139-T142 WeakPolarHBondContact CA-OG1 3.45Å; N139-T142 PolarHBondContact O-OG1 2.88Å; N139-T143 WeakPolarHBondContact O-CB 3.39Å; N139-T143 VanDerWaalsContact O-CG2 3.25Å; N139-T143 WeakPolarHBondContact O-CG2 3.49Å; N139-T143 PolarHBondContact O-N 2.76Å; N139-T143 PolarHBondContact O-OG1 2.6Å |
| 140 | K | 89.1 | Confident | 88.7 | Confident | 148 Ų | 148 | 102 Ų | 102 | 64% | 0.643 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -40.7 | 169.9 | -76.3 | 172.5 | -175.9 | 179.6 | 0 | 111.1 | N136 A137 T143 L144 | N136-K140 WeakPolarHBondContact O-CB 3.35Å; N136-K140 WeakPolarHBondContact O-CG 3.35Å; N136-K140 PolarHBondContact O-N 3.47Å; A137-K140 PolarHBondContact O-N 3.28Å; K140-T143 WeakPolarHBondContact CA-OG1 3.08Å; K140-T143 PolarHBondContact O-OG1 3.19Å; K140-L144 WeakPolarHBondContact O-CB 3.32Å; K140-L144 PolarHBondContact O-N 3.15Å |
| 141 | L | 84.9 | Confident | 88.6 | Confident | 72 Ų | 72 | 97.6 Ų | 97.6 | 38% | 0.377 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 177.9 | -168.9 | 82.8 | 0 | 0 | 0 | 112.2 | A137 Q138 N139 L144 R145 | A137-L141 WeakPolarHBondContact O-CB 3.33Å; A137-L141 PolarHBondContact O-N 3.46Å; Q138-L141 CarbonylContact O-C 3.54Å; Q138-L141 WeakPolarHBondContact O-CA 3.07Å; Q138-L141 WeakPolarHBondContact O-CB 3.39Å; Q138-L141 PolarHBondContact O-N 3.5Å; Q138-L141 VanDerWaalsContact O-N 3.11Å; N139-L141 VanDerWaalsContact C-N 3.32Å; L141-L144 PolarHBondContact O-N 3Å; L141-R145 WeakPolarHBondContact O-CB 3.29Å; L141-R145 VanDerWaalsContact O-CG 3.31Å; L141-R145 WeakPolarHBondContact O-CG 3.4Å; L141-R145 PolarHBondContact O-N 3.17Å |
| 142 | T | 88.5 | Confident | 88.6 | Confident | 52 Ų | 52 | 96.5 Ų | 96.5 | 32% | 0.319 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -48.7 | 177.6 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | Q138 N139 L144 R145 E146 | Q138-T142 WeakPolarHBondContact O-CG2 3.46Å; Q138-T142 PolarHBondContact O-N 2.9Å; Q138-T142 PolarHBondContact O-OG1 3.44Å; N139-T142 VanDerWaalsContact CA-OG1 3.31Å; N139-T142 WeakPolarHBondContact CA-OG1 3.45Å; N139-T142 PolarHBondContact O-OG1 2.88Å; T142-L144 VanDerWaalsContact C-N 3.28Å; T142-L144 PolarHBondContact O-N 3.36Å; T142-R145 WeakPolarHBondContact O-CB 3.29Å; T142-R145 PolarHBondContact O-N 3.42Å; T142-R145 VanDerWaalsContact O-N 3.12Å; T142-E146 WeakPolarHBondContact O-CG 3.48Å; T142-E146 PolarHBondContact O-N 2.88Å |
| 143 | T | 88.9 | Confident | 88.6 | Confident | 63 Ų | 63 | 100.7 Ų | 100.7 | 39% | 0.387 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -35.9 | 175.9 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | N139 K140 K147 | N139-T143 WeakPolarHBondContact O-CB 3.39Å; N139-T143 VanDerWaalsContact O-CG2 3.25Å; N139-T143 WeakPolarHBondContact O-CG2 3.49Å; N139-T143 PolarHBondContact O-N 2.76Å; N139-T143 PolarHBondContact O-OG1 2.6Å; K140-T143 WeakPolarHBondContact CA-OG1 3.08Å; K140-T143 PolarHBondContact O-OG1 3.19Å; T143-K147 WeakPolarHBondContact O-CB 3.4Å; T143-K147 VanDerWaalsContact O-CG 3.25Å; T143-K147 WeakPolarHBondContact O-CG 3.45Å; T143-K147 PolarHBondContact O-N 3.04Å |
| 144 | L | 86.6 | Confident | 88.5 | Confident | 123 Ų | 123 | 97.8 Ų | 97.8 | 64% | 0.644 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71 | -37.1 | 176.2 | -148.4 | 132.6 | 0 | 0 | 0 | 111.9 | K140 L141 T142 H148 | K140-L144 WeakPolarHBondContact O-CB 3.32Å; K140-L144 PolarHBondContact O-N 3.15Å; L141-L144 PolarHBondContact O-N 3Å; T142-L144 VanDerWaalsContact C-N 3.28Å; T142-L144 PolarHBondContact O-N 3.36Å; L144-H148 VanDerWaalsContact O-CB 3.29Å; L144-H148 WeakPolarHBondContact O-CB 3.27Å; L144-H148 PolarHBondContact O-N 2.75Å |
| 145 | R | 89.3 | Confident | 88.3 | Confident | 160 Ų | 160 | 96.4 Ų | 96.4 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.4 | -43 | 172.2 | -76.9 | 175.6 | 177.2 | 175.5 | 0.3 | 112 | L141 T142 H148 Q149 | L141-R145 WeakPolarHBondContact O-CB 3.29Å; L141-R145 VanDerWaalsContact O-CG 3.31Å; L141-R145 WeakPolarHBondContact O-CG 3.4Å; L141-R145 PolarHBondContact O-N 3.17Å; T142-R145 WeakPolarHBondContact O-CB 3.29Å; T142-R145 PolarHBondContact O-N 3.42Å; T142-R145 VanDerWaalsContact O-N 3.12Å; R145-H148 PolarHBondContact O-N 2.93Å; R145-Q149 WeakPolarHBondContact O-CB 3.15Å; R145-Q149 PolarHBondContact O-N 3.25Å |
| 146 | E | 90.7 | Very high | 88.3 | Confident | 113 Ų | 113 | 97.7 Ų | 97.7 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 175.7 | -73.9 | 171 | -179.1 | 0 | 0 | 111.1 | T142 H148 Q149 I150 | T142-E146 WeakPolarHBondContact O-CG 3.48Å; T142-E146 PolarHBondContact O-N 2.88Å; E146-H148 VanDerWaalsContact C-N 3.32Å; E146-H148 PolarHBondContact O-N 3.07Å; E146-Q149 PolarHBondContact O-N 2.81Å; E146-Q149 VanDerWaalsContact O-N 3.16Å; E146-I150 VanDerWaalsContact O-CG1 3.29Å; E146-I150 WeakPolarHBondContact O-CG1 3.35Å; E146-I150 PolarHBondContact O-N 3.41Å |
| 147 | K | 89.4 | Confident | 88.3 | Confident | 152 Ų | 152 | 98.1 Ų | 98.1 | 66% | 0.661 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.5 | -42.8 | 174.1 | -76.1 | 177.5 | -179.3 | -177 | 0 | 112 | T143 I150 S151 | T143-K147 WeakPolarHBondContact O-CB 3.4Å; T143-K147 VanDerWaalsContact O-CG 3.25Å; T143-K147 WeakPolarHBondContact O-CG 3.45Å; T143-K147 PolarHBondContact O-N 3.04Å; K147-I150 PolarHBondContact O-N 2.62Å; K147-S151 WeakPolarHBondContact O-CB 3.4Å; K147-S151 PolarHBondContact O-N 3.41Å |
| 148 | H | 86.1 | Confident | 88.2 | Confident | 126 Ų | 126 | 100.3 Ų | 100.3 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 175.6 | -177.2 | 65.6 | 0 | 0 | 0 | 111.5 | L144 R145 E146 S151 V152 | L144-H148 VanDerWaalsContact O-CB 3.29Å; L144-H148 WeakPolarHBondContact O-CB 3.27Å; L144-H148 PolarHBondContact O-N 2.75Å; R145-H148 PolarHBondContact O-N 2.93Å; E146-H148 VanDerWaalsContact C-N 3.32Å; E146-H148 PolarHBondContact O-N 3.07Å; H148-S151 WeakPolarHBondContact O-CB 3.4Å; H148-S151 PolarHBondContact O-N 2.86Å; H148-V152 VanDerWaalsContact O-CG2 3.3Å; H148-V152 WeakPolarHBondContact O-CG2 3.37Å; H148-V152 PolarHBondContact O-N 3.45Å |
| 149 | Q | 91.5 | Very high | 88.1 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 178.3 | -168.3 | 175.8 | 12.3 | 0 | 0 | 112.2 | R145 E146 V152 K153 | R145-Q149 WeakPolarHBondContact O-CB 3.15Å; R145-Q149 PolarHBondContact O-N 3.25Å; E146-Q149 PolarHBondContact O-N 2.81Å; E146-Q149 VanDerWaalsContact O-N 3.16Å; Q149-V152 PolarHBondContact O-N 2.8Å; Q149-K153 WeakPolarHBondContact O-CG 3.16Å; Q149-K153 PolarHBondContact O-N 2.87Å |
| 150 | I | 90.9 | Very high | 88.1 | Confident | 106 Ų | 106 | 101.8 Ų | 101.8 | 54% | 0.544 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 171.9 | -67.4 | 164.8 | 0 | 0 | 0 | 109.4 | E146 K147 V152 K153 T154 | E146-I150 VanDerWaalsContact O-CG1 3.29Å; E146-I150 WeakPolarHBondContact O-CG1 3.35Å; E146-I150 PolarHBondContact O-N 3.41Å; K147-I150 PolarHBondContact O-N 2.62Å; I150-V152 VanDerWaalsContact C-N 3.28Å; I150-V152 PolarHBondContact O-N 2.9Å; I150-K153 WeakPolarHBondContact O-CB 3.35Å; I150-K153 PolarHBondContact O-N 3.29Å; I150-K153 VanDerWaalsContact O-N 3.11Å; I150-T154 HydrophobicContact CG2-CG2 4.25Å; I150-T154 WeakPolarHBondContact O-CG2 3.2Å; I150-T154 PolarHBondContact O-N 2.81Å; I150-T154 PolarHBondContact O-OG1 3.38Å |
| 151 | S | 86.6 | Confident | 88 | Confident | 69 Ų | 69 | 99.7 Ų | 99.7 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -36.1 | 177.7 | -177.5 | 0 | 0 | 0 | 0 | 113.2 | K147 H148 T154 M155 | K147-S151 WeakPolarHBondContact O-CB 3.4Å; K147-S151 PolarHBondContact O-N 3.41Å; H148-S151 WeakPolarHBondContact O-CB 3.4Å; H148-S151 PolarHBondContact O-N 2.86Å; S151-T154 WeakPolarHBondContact CA-OG1 3.37Å; S151-T154 PolarHBondContact O-OG1 2.94Å; S151-M155 VanDerWaalsContact O-CB 3.29Å; S151-M155 WeakPolarHBondContact O-CB 3.5Å; S151-M155 PolarHBondContact O-N 3.46Å |
| 152 | V | 88.4 | Confident | 88.1 | Confident | 59 Ų | 59 | 100.9 Ų | 100.9 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.8 | -41.7 | 175.1 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | H148 Q149 I150 M155 L156 | H148-V152 VanDerWaalsContact O-CG2 3.3Å; H148-V152 WeakPolarHBondContact O-CG2 3.37Å; H148-V152 PolarHBondContact O-N 3.45Å; Q149-V152 PolarHBondContact O-N 2.8Å; I150-V152 VanDerWaalsContact C-N 3.28Å; I150-V152 PolarHBondContact O-N 2.9Å; V152-M155 PolarHBondContact O-N 3.43Å; V152-L156 HydrophobicContact CG1-CD1 4.13Å; V152-L156 WeakPolarHBondContact O-CB 3.23Å; V152-L156 WeakPolarHBondContact O-CG 3.38Å; V152-L156 PolarHBondContact O-N 3.13Å |
| 153 | K | 89.4 | Confident | 88.1 | Confident | 116 Ų | 116 | 103.2 Ų | 103.2 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 175.2 | -76.1 | 178.8 | 179.8 | -179.4 | 0 | 111.7 | Q149 I150 M155 L156 E157 | Q149-K153 WeakPolarHBondContact O-CG 3.16Å; Q149-K153 PolarHBondContact O-N 2.87Å; I150-K153 WeakPolarHBondContact O-CB 3.35Å; I150-K153 PolarHBondContact O-N 3.29Å; I150-K153 VanDerWaalsContact O-N 3.11Å; K153-M155 VanDerWaalsContact C-N 3.33Å; K153-M155 PolarHBondContact O-N 3.5Å; K153-L156 CarbonylContact O-C 3.59Å; K153-L156 WeakPolarHBondContact O-CB 3.46Å; K153-L156 PolarHBondContact O-N 3.4Å; K153-L156 VanDerWaalsContact O-N 3.12Å; K153-E157 WeakPolarHBondContact O-CG 3.11Å; K153-E157 PolarHBondContact O-N 2.74Å |
| 154 | T | 87.3 | Confident | 88 | Confident | 62 Ų | 62 | 102.7 Ų | 102.7 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 177 | 57.3 | 0 | 0 | 0 | 0 | 111 | I150 S151 L156 E157 E158 | I150-T154 HydrophobicContact CG2-CG2 4.25Å; I150-T154 WeakPolarHBondContact O-CG2 3.2Å; I150-T154 PolarHBondContact O-N 2.81Å; I150-T154 PolarHBondContact O-OG1 3.38Å; S151-T154 WeakPolarHBondContact CA-OG1 3.37Å; S151-T154 PolarHBondContact O-OG1 2.94Å; T154-L156 VanDerWaalsContact C-N 3.34Å; T154-L156 PolarHBondContact O-N 3.46Å; T154-E157 PolarHBondContact O-N 3.31Å; T154-E158 WeakPolarHBondContact O-CB 2.99Å; T154-E158 VanDerWaalsContact O-CG 3.32Å; T154-E158 WeakPolarHBondContact O-CG 3.39Å; T154-E158 PolarHBondContact O-N 2.61Å |
| 155 | M | 84.4 | Confident | 87.9 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 51% | 0.512 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 173.5 | -168.8 | -135.9 | 73.5 | 0 | 0 | 111.9 | S151 V152 K153 T159 | S151-M155 VanDerWaalsContact O-CB 3.29Å; S151-M155 WeakPolarHBondContact O-CB 3.5Å; S151-M155 PolarHBondContact O-N 3.46Å; V152-M155 PolarHBondContact O-N 3.43Å; K153-M155 VanDerWaalsContact C-N 3.33Å; K153-M155 PolarHBondContact O-N 3.5Å; M155-T159 HydrophobicContact CE-CG2 4.29Å; M155-T159 WeakPolarHBondContact O-CB 3.41Å; M155-T159 VanDerWaalsContact O-CG2 3.23Å; M155-T159 WeakPolarHBondContact O-CG2 3.35Å; M155-T159 PolarHBondContact O-N 2.96Å; M155-T159 PolarHBondContact O-OG1 3.43Å |
| 156 | L | 88.9 | Confident | 87.7 | Confident | 90 Ų | 90 | 101.9 Ų | 101.9 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68 | -36.6 | 175 | -75.4 | 171.3 | 0 | 0 | 0 | 112.7 | V152 K153 T154 T159 K160 | V152-L156 HydrophobicContact CG1-CD1 4.13Å; V152-L156 WeakPolarHBondContact O-CB 3.23Å; V152-L156 WeakPolarHBondContact O-CG 3.38Å; V152-L156 PolarHBondContact O-N 3.13Å; K153-L156 CarbonylContact O-C 3.59Å; K153-L156 WeakPolarHBondContact O-CB 3.46Å; K153-L156 PolarHBondContact O-N 3.4Å; K153-L156 VanDerWaalsContact O-N 3.12Å; T154-L156 VanDerWaalsContact C-N 3.34Å; T154-L156 PolarHBondContact O-N 3.46Å; L156-T159 VanDerWaalsContact C-OG1 3.31Å; L156-T159 VanDerWaalsContact CA-OG1 3.23Å; L156-T159 WeakPolarHBondContact CA-OG1 3.46Å; L156-T159 PolarHBondContact O-OG1 3.09Å; L156-K160 WeakPolarHBondContact O-CB 3.39Å; L156-K160 VanDerWaalsContact O-CG 3.31Å; L156-K160 WeakPolarHBondContact O-CG 3.1Å; L156-K160 PolarHBondContact O-N 3.31Å |
| 157 | E | 88.9 | Confident | 87.6 | Confident | 106 Ų | 106 | 101.5 Ų | 101.5 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.9 | -45.6 | 175.1 | -74.3 | 171.1 | -171.9 | 0 | 0 | 111.6 | K153 T154 T159 K160 K161 | K153-E157 WeakPolarHBondContact O-CG 3.11Å; K153-E157 PolarHBondContact O-N 2.74Å; T154-E157 PolarHBondContact O-N 3.31Å; E157-T159 VanDerWaalsContact C-N 3.33Å; E157-T159 PolarHBondContact O-N 3.4Å; E157-K160 WeakPolarHBondContact O-CB 3.38Å; E157-K160 PolarHBondContact O-N 3.31Å; E157-K161 WeakPolarHBondContact O-CG 3.34Å; E157-K161 PolarHBondContact O-N 3.28Å |
| 158 | E | 85.4 | Confident | 87.4 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 49% | 0.486 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 175.3 | -70.9 | -53.5 | 134.3 | 0 | 0 | 111.8 | T154 K161 M162 | T154-E158 WeakPolarHBondContact O-CB 2.99Å; T154-E158 VanDerWaalsContact O-CG 3.32Å; T154-E158 WeakPolarHBondContact O-CG 3.39Å; T154-E158 PolarHBondContact O-N 2.61Å; E158-K161 PolarHBondContact O-N 2.92Å; E158-K161 IonicContact OE1-NZ 3.91Å; E158-K161 PolarHBondContact OE1-NZ 2.97Å; E158-M162 VanDerWaalsContact O-CB 3.23Å; E158-M162 WeakPolarHBondContact O-CB 3.38Å; E158-M162 PolarHBondContact O-N 3.26Å |
| 159 | T | 85 | Confident | 87.4 | Confident | 44 Ų | 44 | 97.4 Ų | 97.4 | 27% | 0.27 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 171.4 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | M155 L156 E157 M162 H163 | M155-T159 HydrophobicContact CE-CG2 4.29Å; M155-T159 WeakPolarHBondContact O-CB 3.41Å; M155-T159 VanDerWaalsContact O-CG2 3.23Å; M155-T159 WeakPolarHBondContact O-CG2 3.35Å; M155-T159 PolarHBondContact O-N 2.96Å; M155-T159 PolarHBondContact O-OG1 3.43Å; L156-T159 VanDerWaalsContact C-OG1 3.31Å; L156-T159 VanDerWaalsContact CA-OG1 3.23Å; L156-T159 WeakPolarHBondContact CA-OG1 3.46Å; L156-T159 PolarHBondContact O-OG1 3.09Å; E157-T159 VanDerWaalsContact C-N 3.33Å; E157-T159 PolarHBondContact O-N 3.4Å; T159-M162 PolarHBondContact O-N 2.85Å; T159-H163 PolarHBondContact O-N 3.5Å; T159-H163 PolarHBondContact O-ND1 3.28Å |
| 160 | K | 89.4 | Confident | 87.1 | Confident | 154 Ų | 154 | 96.2 Ų | 96.2 | 67% | 0.67 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62 | -44.5 | 173.5 | -77.9 | 175.3 | -178.5 | -179.5 | 0 | 112.7 | L156 E157 M162 H163 S164 | L156-K160 WeakPolarHBondContact O-CB 3.39Å; L156-K160 VanDerWaalsContact O-CG 3.31Å; L156-K160 WeakPolarHBondContact O-CG 3.1Å; L156-K160 PolarHBondContact O-N 3.31Å; E157-K160 WeakPolarHBondContact O-CB 3.38Å; E157-K160 PolarHBondContact O-N 3.31Å; K160-M162 VanDerWaalsContact C-N 3.31Å; K160-M162 PolarHBondContact O-N 2.8Å; K160-H163 PolarHBondContact O-N 2.89Å; K160-S164 PolarHBondContact O-N 3.03Å |
| 161 | K | 86.7 | Confident | 86.8 | Confident | 105 Ų | 105 | 93.9 Ų | 93.9 | 46% | 0.457 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 173.8 | -71.8 | 177.5 | -168.3 | 166.5 | 0 | 111 | E157 E158 H163 S164 M165 | E157-K161 WeakPolarHBondContact O-CG 3.34Å; E157-K161 PolarHBondContact O-N 3.28Å; E158-K161 PolarHBondContact O-N 2.92Å; E158-K161 IonicContact OE1-NZ 3.91Å; E158-K161 PolarHBondContact OE1-NZ 2.97Å; K161-H163 VanDerWaalsContact C-N 3.32Å; K161-H163 PolarHBondContact O-N 3.28Å; K161-S164 WeakPolarHBondContact CA-OG 3.41Å; K161-S164 PolarHBondContact O-N 2.95Å; K161-S164 PolarHBondContact O-OG 3.41Å; K161-M165 VanDerWaalsContact O-CB 3.27Å; K161-M165 WeakPolarHBondContact O-CB 3.13Å; K161-M165 WeakPolarHBondContact O-CG 2.95Å; K161-M165 PolarHBondContact O-N 3.35Å |
| 162 | M | 88.8 | Confident | 86.7 | Confident | 97 Ų | 97 | 95.1 Ų | 95.1 | 48% | 0.478 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 175.2 | -179.3 | -86.9 | -70.9 | 0 | 0 | 111.4 | E158 T159 K160 R166 | E158-M162 VanDerWaalsContact O-CB 3.23Å; E158-M162 WeakPolarHBondContact O-CB 3.38Å; E158-M162 PolarHBondContact O-N 3.26Å; T159-M162 PolarHBondContact O-N 2.85Å; K160-M162 VanDerWaalsContact C-N 3.31Å; K160-M162 PolarHBondContact O-N 2.8Å; M162-R166 WeakPolarHBondContact O-CB 3.27Å; M162-R166 PolarHBondContact O-N 3.25Å |
| 163 | H | 87.4 | Confident | 86.4 | Confident | 101 Ų | 101 | 95.5 Ų | 95.5 | 47% | 0.468 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 173.7 | -71.9 | 82.3 | 0 | 0 | 0 | 112 | T159 K160 K161 R166 D167 | T159-H163 PolarHBondContact O-N 3.5Å; T159-H163 PolarHBondContact O-ND1 3.28Å; K160-H163 PolarHBondContact O-N 2.89Å; K161-H163 VanDerWaalsContact C-N 3.32Å; K161-H163 PolarHBondContact O-N 3.28Å; H163-R166 CarbonylContact O-C 3.58Å; H163-R166 WeakPolarHBondContact O-CB 2.88Å; H163-R166 PolarHBondContact O-N 3.33Å; H163-R166 VanDerWaalsContact O-N 3.17Å; H163-D167 VanDerWaalsContact O-CG 3.24Å; H163-D167 PolarHBondContact O-N 3.22Å |
| 164 | S | 87.8 | Confident | 86.1 | Confident | 51 Ų | 51 | 94.6 Ų | 94.6 | 36% | 0.357 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 177.8 | 69.1 | 0 | 0 | 0 | 0 | 112.2 | K160 K161 R166 D167 E168 | K160-S164 PolarHBondContact O-N 3.03Å; K161-S164 WeakPolarHBondContact CA-OG 3.41Å; K161-S164 PolarHBondContact O-N 2.95Å; K161-S164 PolarHBondContact O-OG 3.41Å; S164-R166 VanDerWaalsContact C-N 3.28Å; S164-R166 PolarHBondContact O-N 3.49Å; S164-D167 PolarHBondContact O-N 3.3Å; S164-E168 WeakPolarHBondContact O-CB 3.29Å; S164-E168 WeakPolarHBondContact O-CG 3.48Å; S164-E168 PolarHBondContact O-N 3.32Å |
| 165 | M | 83.6 | Confident | 86 | Confident | 113 Ų | 113 | 100.3 Ų | 100.3 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.9 | -34.5 | 173.5 | -68.2 | -68.6 | -87.2 | 0 | 0 | 110.7 | K161 V169 | K161-M165 VanDerWaalsContact O-CB 3.27Å; K161-M165 WeakPolarHBondContact O-CB 3.13Å; K161-M165 WeakPolarHBondContact O-CG 2.95Å; K161-M165 PolarHBondContact O-N 3.35Å; M165-V169 VanDerWaalsContact O-CB 3.28Å; M165-V169 WeakPolarHBondContact O-CB 3.08Å; M165-V169 WeakPolarHBondContact O-CG2 3.48Å; M165-V169 PolarHBondContact O-N 2.9Å |
| 166 | R | 84.7 | Confident | 85.7 | Confident | 154 Ų | 154 | 100 Ų | 100 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.7 | -43.2 | 172.9 | -172.5 | 173.3 | -174 | 167.5 | 2.4 | 111.6 | M162 H163 S164 E168 V169 D170 | M162-R166 WeakPolarHBondContact O-CB 3.27Å; M162-R166 PolarHBondContact O-N 3.25Å; H163-R166 CarbonylContact O-C 3.58Å; H163-R166 WeakPolarHBondContact O-CB 2.88Å; H163-R166 PolarHBondContact O-N 3.33Å; H163-R166 VanDerWaalsContact O-N 3.17Å; S164-R166 VanDerWaalsContact C-N 3.28Å; S164-R166 PolarHBondContact O-N 3.49Å; R166-E168 VanDerWaalsContact C-N 3.34Å; R166-V169 CarbonylContact O-C 3.59Å; R166-V169 PolarHBondContact O-N 3.15Å; R166-D170 WeakPolarHBondContact O-CB 3.21Å; R166-D170 VanDerWaalsContact O-CG 3.24Å; R166-D170 PolarHBondContact O-N 3.34Å |
| 167 | D | 88.4 | Confident | 85.3 | Confident | 105 Ų | 105 | 102 Ų | 102 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.9 | -38.4 | 175.1 | -67.1 | -22.6 | 0 | 0 | 0 | 111.3 | H163 S164 D170 A171 | H163-D167 VanDerWaalsContact O-CG 3.24Å; H163-D167 PolarHBondContact O-N 3.22Å; S164-D167 PolarHBondContact O-N 3.3Å; D167-D170 PolarHBondContact O-N 3.32Å; D167-A171 WeakPolarHBondContact O-CB 3.22Å; D167-A171 PolarHBondContact O-N 2.97Å |
| 168 | E | 85.7 | Confident | 84.9 | Confident | 111 Ų | 111 | 104 Ų | 104 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 172.7 | -79 | 179.7 | -162.4 | 0 | 0 | 111.4 | S164 R166 D170 A171 L172 | S164-E168 WeakPolarHBondContact O-CB 3.29Å; S164-E168 WeakPolarHBondContact O-CG 3.48Å; S164-E168 PolarHBondContact O-N 3.32Å; R166-E168 VanDerWaalsContact C-N 3.34Å; E168-D170 VanDerWaalsContact C-N 3.33Å; E168-A171 PolarHBondContact O-N 2.51Å; E168-L172 WeakPolarHBondContact O-CB 3.39Å; E168-L172 WeakPolarHBondContact O-CG 3.42Å; E168-L172 PolarHBondContact O-N 2.68Å |
| 169 | V | 85.2 | Confident | 84.6 | Confident | 80 Ų | 80 | 104.4 Ų | 104.4 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 173.3 | 165.8 | 0 | 0 | 0 | 0 | 110.2 | M165 R166 L172 C173 | M165-V169 VanDerWaalsContact O-CB 3.28Å; M165-V169 WeakPolarHBondContact O-CB 3.08Å; M165-V169 WeakPolarHBondContact O-CG2 3.48Å; M165-V169 PolarHBondContact O-N 2.9Å; R166-V169 CarbonylContact O-C 3.59Å; R166-V169 PolarHBondContact O-N 3.15Å; V169-L172 CarbonylContact O-C 3.57Å; V169-L172 PolarHBondContact O-N 2.88Å; V169-C173 VanDerWaalsContact O-CB 3.23Å; V169-C173 WeakPolarHBondContact O-CB 3.17Å; V169-C173 PolarHBondContact O-N 3.11Å; V169-C173 PolarHBondContact O-SG 2.84Å |
| 170 | D | 86.1 | Confident | 84.1 | Confident | 90 Ų | 90 | 105.8 Ų | 105.8 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 177.5 | -73.8 | -19.1 | 0 | 0 | 0 | 110.8 | R166 D167 E168 C173 L174 | R166-D170 WeakPolarHBondContact O-CB 3.21Å; R166-D170 VanDerWaalsContact O-CG 3.24Å; R166-D170 PolarHBondContact O-N 3.34Å; D167-D170 PolarHBondContact O-N 3.32Å; E168-D170 VanDerWaalsContact C-N 3.33Å; D170-C173 CarbonylContact O-C 3.54Å; D170-C173 WeakPolarHBondContact O-CB 3.42Å; D170-C173 PolarHBondContact O-N 3.46Å; D170-L174 WeakPolarHBondContact O-CB 3.39Å; D170-L174 PolarHBondContact O-N 2.99Å |
| 171 | A | 85.2 | Confident | 83.5 | Confident | 56 Ų | 56 | 103.2 Ų | 103.2 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D167 E168 L174 R175 | D167-A171 WeakPolarHBondContact O-CB 3.22Å; D167-A171 PolarHBondContact O-N 2.97Å; E168-A171 PolarHBondContact O-N 2.51Å; A171-L174 PolarHBondContact O-N 3.44Å; A171-R175 VanDerWaalsContact O-CB 3.26Å; A171-R175 WeakPolarHBondContact O-CB 2.98Å; A171-R175 PolarHBondContact O-N 2.86Å |
| 172 | L | 84.2 | Confident | 82.9 | Confident | 96 Ų | 96 | 100.8 Ų | 100.8 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 172.7 | -74.6 | 172.6 | 0 | 0 | 0 | 110.7 | E168 V169 R175 L176 | E168-L172 WeakPolarHBondContact O-CB 3.39Å; E168-L172 WeakPolarHBondContact O-CG 3.42Å; E168-L172 PolarHBondContact O-N 2.68Å; V169-L172 CarbonylContact O-C 3.57Å; V169-L172 PolarHBondContact O-N 2.88Å; L172-R175 PolarHBondContact O-N 2.64Å; L172-L176 WeakPolarHBondContact O-CA 3.11Å; L172-L176 WeakPolarHBondContact O-CB 2.91Å; L172-L176 VanDerWaalsContact O-CG 3.23Å; L172-L176 WeakPolarHBondContact O-CG 3.36Å; L172-L176 PolarHBondContact O-N 3.35Å |
| 173 | C | 82 | Confident | 81.9 | Confident | 67 Ų | 67 | 102.3 Ų | 102.3 | 45% | 0.453 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 172.9 | -74.8 | 0 | 0 | 0 | 0 | 110.9 | V169 D170 Y177 | V169-C173 VanDerWaalsContact O-CB 3.23Å; V169-C173 WeakPolarHBondContact O-CB 3.17Å; V169-C173 PolarHBondContact O-N 3.11Å; V169-C173 PolarHBondContact O-SG 2.84Å; D170-C173 CarbonylContact O-C 3.54Å; D170-C173 WeakPolarHBondContact O-CB 3.42Å; D170-C173 PolarHBondContact O-N 3.46Å; C173-Y177 VanDerWaalsContact O-CB 3.23Å; C173-Y177 WeakPolarHBondContact O-CB 3.36Å; C173-Y177 PolarHBondContact O-N 3.35Å |
| 174 | L | 84 | Confident | 80.8 | Confident | 97 Ų | 97 | 102.8 Ų | 102.8 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 174.3 | -161 | 85.6 | 0 | 0 | 0 | 111.1 | D170 A171 Y177 Y178 | D170-L174 WeakPolarHBondContact O-CB 3.39Å; D170-L174 PolarHBondContact O-N 2.99Å; A171-L174 PolarHBondContact O-N 3.44Å; L174-Y177 WeakPolarHBondContact O-CB 3.15Å; L174-Y177 PolarHBondContact O-N 3Å; L174-Y178 HydrophobicContact CD1-CE2 4.4Å; L174-Y178 HydrophobicContact CD2-CD2 4.43Å; L174-Y178 HydrophobicContact CD2-CE2 3.72Å; L174-Y178 HydrophobicContact CG-CD2 4.11Å; L174-Y178 HydrophobicContact CG-CE2 3.64Å; L174-Y178 WeakPolarHBondContact O-CD2 3.22Å; L174-Y178 PolarHBondContact O-N 2.67Å |
| 175 | R | 83.9 | Confident | 79.8 | Confident | 182 Ų | 182 | 105.6 Ų | 105.6 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.1 | -43 | 177.4 | -151.2 | 175.9 | -162 | -170.7 | 4.6 | 110.7 | A171 L172 Y177 Y178 L179 | A171-R175 VanDerWaalsContact O-CB 3.26Å; A171-R175 WeakPolarHBondContact O-CB 2.98Å; A171-R175 PolarHBondContact O-N 2.86Å; L172-R175 PolarHBondContact O-N 2.64Å; R175-Y177 VanDerWaalsContact C-N 3.29Å; R175-Y177 PolarHBondContact O-N 3.11Å; R175-Y178 PolarHBondContact O-N 2.63Å; R175-L179 WeakPolarHBondContact O-CB 3.39Å; R175-L179 PolarHBondContact O-N 3.43Å |
| 176 | L | 78.1 | Confident | 78.8 | Confident | 97 Ų | 97 | 105.8 Ų | 105.8 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 169.7 | -80.3 | 170 | 0 | 0 | 0 | 110.9 | L172 N180 | L172-L176 WeakPolarHBondContact O-CA 3.11Å; L172-L176 WeakPolarHBondContact O-CB 2.91Å; L172-L176 VanDerWaalsContact O-CG 3.23Å; L172-L176 WeakPolarHBondContact O-CG 3.36Å; L172-L176 PolarHBondContact O-N 3.35Å; L176-N180 WeakPolarHBondContact O-CA 3.39Å; L176-N180 WeakPolarHBondContact O-CB 3.21Å; L176-N180 PolarHBondContact O-N 3.06Å; L176-N180 PolarHBondContact O-ND2 2.84Å |
| 177 | Y | 81.4 | Confident | 77.5 | Confident | 133 Ų | 133 | 99.2 Ų | 99.2 | 52% | 0.522 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 174.2 | 174.1 | -94.5 | 0 | 0 | 0 | 111.1 | C173 L174 R175 K181 | C173-Y177 VanDerWaalsContact O-CB 3.23Å; C173-Y177 WeakPolarHBondContact O-CB 3.36Å; C173-Y177 PolarHBondContact O-N 3.35Å; L174-Y177 WeakPolarHBondContact O-CB 3.15Å; L174-Y177 PolarHBondContact O-N 3Å; R175-Y177 VanDerWaalsContact C-N 3.29Å; R175-Y177 PolarHBondContact O-N 3.11Å; Y177-K181 HydrophobicContact CE1-CD 4.27Å; Y177-K181 VanDerWaalsContact O-CB 3.27Å; Y177-K181 WeakPolarHBondContact O-CB 3.38Å; Y177-K181 PolarHBondContact O-N 3.44Å |
| 178 | Y | 80.1 | Confident | 76 | Confident | 146 Ų | 146 | 95.1 Ų | 95.1 | 57% | 0.573 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -38.8 | 176.6 | -73.2 | -60 | 0 | 0 | 0 | 113 | L174 R175 K181 A182 | L174-Y178 HydrophobicContact CD1-CE2 4.4Å; L174-Y178 HydrophobicContact CD2-CD2 4.43Å; L174-Y178 HydrophobicContact CD2-CE2 3.72Å; L174-Y178 HydrophobicContact CG-CD2 4.11Å; L174-Y178 HydrophobicContact CG-CE2 3.64Å; L174-Y178 WeakPolarHBondContact O-CD2 3.22Å; L174-Y178 PolarHBondContact O-N 2.67Å; R175-Y178 PolarHBondContact O-N 2.63Å; Y178-K181 PolarHBondContact O-N 3.21Å; Y178-A182 WeakPolarHBondContact O-CB 3.36Å; Y178-A182 PolarHBondContact O-N 3.5Å |
| 179 | L | 78.3 | Confident | 74.7 | Confident | 113 Ų | 113 | 96.6 Ų | 96.6 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -74.1 | -34.6 | 179.6 | -150.7 | 137.1 | 0 | 0 | 0 | 110.9 | R175 K183 | R175-L179 WeakPolarHBondContact O-CB 3.39Å; R175-L179 PolarHBondContact O-N 3.43Å; L179-K183 WeakPolarHBondContact O-CA 3.35Å; L179-K183 WeakPolarHBondContact O-CB 3.26Å; L179-K183 PolarHBondContact O-N 3.28Å |
| 180 | N | 75.7 | Confident | 72.9 | Confident | 73 Ų | 73 | 98 Ų | 98 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.5 | -34.5 | 167.3 | -78.9 | -26 | 0 | 0 | 0 | 111.2 | L176 K183 E184 | L176-N180 WeakPolarHBondContact O-CA 3.39Å; L176-N180 WeakPolarHBondContact O-CB 3.21Å; L176-N180 PolarHBondContact O-N 3.06Å; L176-N180 PolarHBondContact O-ND2 2.84Å; N180-K183 CarbonylContact O-C 3.55Å; N180-K183 PolarHBondContact O-N 3.49Å; N180-E184 WeakPolarHBondContact O-CA 3.37Å; N180-E184 WeakPolarHBondContact O-CB 3.23Å; N180-E184 WeakPolarHBondContact O-CG 3.23Å; N180-E184 PolarHBondContact O-N 2.65Å |
| 181 | K | 76.1 | Confident | 71.4 | Confident | 100 Ų | 100 | 95.2 Ų | 95.2 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.1 | -43.9 | 174.8 | -167.4 | 144.3 | -176.5 | 169.6 | 0 | 111.5 | Y177 Y178 E184 D185 | Y177-K181 HydrophobicContact CE1-CD 4.27Å; Y177-K181 VanDerWaalsContact O-CB 3.27Å; Y177-K181 WeakPolarHBondContact O-CB 3.38Å; Y177-K181 PolarHBondContact O-N 3.44Å; Y178-K181 PolarHBondContact O-N 3.21Å; K181-E184 CarbonylContact O-C 3.57Å; K181-E184 PolarHBondContact O-N 3.26Å; K181-D185 VanDerWaalsContact O-CG 3.28Å; K181-D185 PolarHBondContact O-N 2.67Å |
| 182 | A | 73.3 | Confident | 70 | Confident | 55 Ų | 55 | 98.3 Ų | 98.3 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y178 D185 V186 | Y178-A182 WeakPolarHBondContact O-CB 3.36Å; Y178-A182 PolarHBondContact O-N 3.5Å; A182-D185 PolarHBondContact O-N 3.46Å; A182-V186 WeakPolarHBondContact O-CG2 3.13Å; A182-V186 PolarHBondContact O-N 2.7Å |
| 183 | K | 68.5 | Low | 68.4 | Low | 128 Ų | 128 | 100.9 Ų | 100.9 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.2 | -37.6 | 171.7 | -177 | -173.3 | 171.2 | -172.7 | 0 | 110.5 | L179 N180 D185 V186 S187 | L179-K183 WeakPolarHBondContact O-CA 3.35Å; L179-K183 WeakPolarHBondContact O-CB 3.26Å; L179-K183 PolarHBondContact O-N 3.28Å; N180-K183 CarbonylContact O-C 3.55Å; N180-K183 PolarHBondContact O-N 3.49Å; K183-D185 VanDerWaalsContact C-N 3.31Å; K183-V186 PolarHBondContact O-N 2.69Å; K183-S187 VanDerWaalsContact O-CA 3.23Å; K183-S187 WeakPolarHBondContact O-CA 3.14Å; K183-S187 WeakPolarHBondContact O-CB 3.17Å; K183-S187 PolarHBondContact O-N 2.75Å; K183-S187 PolarHBondContact O-OG 3.41Å |
| 184 | E | 65.5 | Low | 66.9 | Low | 111 Ų | 111 | 102.4 Ų | 102.4 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.3 | -22.2 | 177.7 | -82.3 | 178.9 | 168.2 | 0 | 0 | 111.7 | N180 K181 G188 | N180-E184 WeakPolarHBondContact O-CA 3.37Å; N180-E184 WeakPolarHBondContact O-CB 3.23Å; N180-E184 WeakPolarHBondContact O-CG 3.23Å; N180-E184 PolarHBondContact O-N 2.65Å; K181-E184 CarbonylContact O-C 3.57Å; K181-E184 PolarHBondContact O-N 3.26Å; E184-G188 WeakPolarHBondContact O-CA 3.39Å; E184-G188 PolarHBondContact O-N 2.67Å |
| 185 | D | 65.9 | Low | 65.4 | Low | 110 Ų | 110 | 104.9 Ų | 104.9 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -74.2 | -47.7 | 168.1 | -70 | -23.8 | 0 | 0 | 0 | 109.6 | K181 A182 K183 G188 | K181-D185 VanDerWaalsContact O-CG 3.28Å; K181-D185 PolarHBondContact O-N 2.67Å; A182-D185 PolarHBondContact O-N 3.46Å; K183-D185 VanDerWaalsContact C-N 3.31Å; D185-G188 PolarHBondContact O-N 3.45Å |
| 186 | V | 62.3 | Low | 64.1 | Low | 117 Ų | 117 | 100.5 Ų | 100.5 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.1 | -36.9 | 179.6 | 175.3 | 0 | 0 | 0 | 0 | 112.9 | A182 K183 | A182-V186 WeakPolarHBondContact O-CG2 3.13Å; A182-V186 PolarHBondContact O-N 2.7Å; K183-V186 PolarHBondContact O-N 2.69Å |
| 187 | S | 57.3 | Low | 63.1 | Low | 16 Ų | 16 | 101.2 Ų | 101.2 | 11% | 0.112 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -89.9 | -11.9 | 175.3 | 75.3 | 0 | 0 | 0 | 0 | 111.3 | K183 D189 L190 L191 | K183-S187 VanDerWaalsContact O-CA 3.23Å; K183-S187 WeakPolarHBondContact O-CA 3.14Å; K183-S187 WeakPolarHBondContact O-CB 3.17Å; K183-S187 PolarHBondContact O-N 2.75Å; K183-S187 PolarHBondContact O-OG 3.41Å; S187-D189 PolarHBondContact O-N 3.14Å; S187-L190 CarbonylContact O-C 3.5Å; S187-L190 PolarHBondContact O-N 3.02Å; S187-L190 VanDerWaalsContact O-N 3.13Å; S187-L191 VanDerWaalsContact O-CA 3.28Å; S187-L191 WeakPolarHBondContact O-CA 3.44Å; S187-L191 WeakPolarHBondContact O-CB 3.27Å; S187-L191 WeakPolarHBondContact O-CD1 3.06Å; S187-L191 WeakPolarHBondContact O-CG 3.46Å; S187-L191 PolarHBondContact O-N 3.36Å; S187-L191 WeakPolarHBondContact OG-CD1 3.42Å |
| 188 | G | 57.9 | Low | 62 | Low | 19 Ų | 19 | 100.3 Ų | 100.3 | 20% | 0.196 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -61.3 | -42 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | E184 D185 L190 V192 | E184-G188 WeakPolarHBondContact O-CA 3.39Å; E184-G188 PolarHBondContact O-N 2.67Å; D185-G188 PolarHBondContact O-N 3.45Å; G188-L190 VanDerWaalsContact C-N 3.31Å; G188-L190 PolarHBondContact O-N 3.14Å; G188-V192 WeakPolarHBondContact O-CG2 3.49Å; G188-V192 PolarHBondContact O-N 3.29Å |
| 189 | D | 56.9 | Low | 61.4 | Low | 143 Ų | 143 | 100.2 Ų | 100.2 | 77% | 0.765 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.7 | -27.7 | 173.5 | -70.1 | -14.1 | 0 | 0 | 0 | 112.8 | S187 | S187-D189 PolarHBondContact O-N 3.14Å |
| 190 | L | 48.6 | Very low | 60.6 | Low | 108 Ų | 108 | 100.1 Ų | 100.1 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -91.9 | -29 | 178.3 | -147.7 | 96.5 | 0 | 0 | 0 | 114.1 | S187 G188 L193 Q194 | S187-L190 CarbonylContact O-C 3.5Å; S187-L190 PolarHBondContact O-N 3.02Å; S187-L190 VanDerWaalsContact O-N 3.13Å; G188-L190 VanDerWaalsContact C-N 3.31Å; G188-L190 PolarHBondContact O-N 3.14Å; L190-L193 WeakPolarHBondContact O-CB 3.43Å; L190-L193 PolarHBondContact O-N 3.37Å; L190-Q194 PolarHBondContact O-N 3.38Å |
| 191 | L | 54 | Low | 60.4 | Low | 33 Ų | 33 | 101.9 Ų | 101.9 | 17% | 0.173 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -89.7 | -14.4 | -172.3 | -76.3 | 164.5 | 0 | 0 | 0 | 112.1 | S187 L193 Q194 R195 | S187-L191 VanDerWaalsContact O-CA 3.28Å; S187-L191 WeakPolarHBondContact O-CA 3.44Å; S187-L191 WeakPolarHBondContact O-CB 3.27Å; S187-L191 WeakPolarHBondContact O-CD1 3.06Å; S187-L191 WeakPolarHBondContact O-CG 3.46Å; S187-L191 PolarHBondContact O-N 3.36Å; S187-L191 WeakPolarHBondContact OG-CD1 3.42Å; L191-L193 PolarHBondContact O-N 3.06Å; L191-Q194 HydrophobicContact CD2-CB 4.26Å; L191-Q194 PolarHBondContact O-N 3.41Å; L191-R195 HydrophobicContact CB-CG 4.23Å; L191-R195 HydrophobicContact CD2-CG 4.49Å; L191-R195 WeakPolarHBondContact O-CB 3.2Å; L191-R195 VanDerWaalsContact O-CG 3.26Å; L191-R195 WeakPolarHBondContact O-CG 3.24Å; L191-R195 PolarHBondContact O-N 2.94Å |
| 192 | V | 55.2 | Low | 60.3 | Low | 121 Ų | 121 | 99.8 Ų | 99.8 | 73% | 0.733 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.7 | -29.6 | 160.2 | 173.8 | 0 | 0 | 0 | 0 | 109.9 | G188 | G188-V192 WeakPolarHBondContact O-CG2 3.49Å; G188-V192 PolarHBondContact O-N 3.29Å |
| 193 | L | 52.5 | Low | 60.5 | Low | 149 Ų | 149 | 100 Ų | 100 | 78% | 0.78 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -85.1 | -28.9 | 176.3 | -110.6 | 119.1 | 0 | 0 | 0 | 114.4 | L190 L191 | L190-L193 WeakPolarHBondContact O-CB 3.43Å; L190-L193 PolarHBondContact O-N 3.37Å; L191-L193 PolarHBondContact O-N 3.06Å |
| 194 | Q | 50 | Low | 60.7 | Low | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -100.7 | -21.3 | -176.7 | -74.6 | -179.6 | -24.8 | 0 | 0 | 115.3 | L190 L191 A196 V197 | L190-Q194 PolarHBondContact O-N 3.38Å; L191-Q194 HydrophobicContact CD2-CB 4.26Å; L191-Q194 PolarHBondContact O-N 3.41Å; Q194-A196 PolarHBondContact O-N 2.83Å; Q194-V197 PolarHBondContact O-N 2.87Å |
| 195 | R | 52 | Low | 61.4 | Low | 149 Ų | 149 | 96.5 Ų | 96.5 | 56% | 0.562 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -9.9 | 177.4 | -83 | 175 | 173.4 | 145.9 | -0.8 | 114.8 | L191 V197 | L191-R195 HydrophobicContact CB-CG 4.23Å; L191-R195 HydrophobicContact CD2-CG 4.49Å; L191-R195 WeakPolarHBondContact O-CB 3.2Å; L191-R195 VanDerWaalsContact O-CG 3.26Å; L191-R195 WeakPolarHBondContact O-CG 3.24Å; L191-R195 PolarHBondContact O-N 2.94Å; R195-V197 VanDerWaalsContact C-N 3.34Å |
| 196 | A | 56.5 | Low | 62 | Low | 90 Ų | 90 | 97.3 Ų | 97.3 | 74% | 0.744 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -22.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q194 | Q194-A196 PolarHBondContact O-N 2.83Š|
| 197 | V | 56.4 | Low | 62.8 | Low | 113 Ų | 113 | 98.1 Ų | 98.1 | 69% | 0.685 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -34.8 | -170.8 | -178.7 | 0 | 0 | 0 | 0 | 113.2 | Q194 R195 | Q194-V197 PolarHBondContact O-N 2.87Å; R195-V197 VanDerWaalsContact C-N 3.34Å |
| 198 | E | 59.6 | Low | 64 | Low | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -11.8 | -172 | -69 | -177.1 | 161.2 | 0 | 0 | 115.8 | V200 N201 S202 | E198-V200 PolarHBondContact O-N 2.71Å; E198-N201 PolarHBondContact O-N 3.33Å; E198-N201 VanDerWaalsContact O-N 3.14Å; E198-S202 PolarHBondContact O-N 3.47Å |
| 199 | K | 67.4 | Low | 65.3 | Low | 144 Ų | 144 | 106.3 Ų | 106.3 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.5 | -31.3 | -176.8 | -172 | 162.2 | -179.2 | 174.9 | 0 | 113.1 | S202 D203 | K199-S202 PolarHBondContact O-OG 2.89Å; K199-S202 VanDerWaalsContact O-OG 3.08Å; K199-D203 VanDerWaalsContact O-CG 3.24Å; K199-D203 PolarHBondContact O-N 3.29Å |
| 200 | V | 61.7 | Low | 66.6 | Low | 112 Ų | 112 | 104.4 Ų | 104.4 | 68% | 0.679 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.2 | -38.1 | 179 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | E198 L204 | E198-V200 PolarHBondContact O-N 2.71Å; V200-L204 PolarHBondContact O-N 2.83Å |
| 201 | N | 70.3 | Confident | 68.4 | Low | 110 Ų | 110 | 104.8 Ų | 104.8 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.7 | -37.1 | -178.1 | -69.7 | -18 | 0 | 0 | 0 | 112.3 | E198 D203 L204 S205 | E198-N201 PolarHBondContact O-N 3.33Å; E198-N201 VanDerWaalsContact O-N 3.14Å; N201-D203 VanDerWaalsContact C-N 3.29Å; N201-D203 PolarHBondContact O-N 3.45Å; N201-L204 PolarHBondContact O-N 3.46Å; N201-S205 PolarHBondContact O-N 3.36Å |
| 202 | S | 74.8 | Confident | 69.9 | Low | 55 Ų | 55 | 108 Ų | 108 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.7 | -33 | 176.5 | 62 | 0 | 0 | 0 | 0 | 112.7 | E198 K199 K206 | E198-S202 PolarHBondContact O-N 3.47Å; K199-S202 PolarHBondContact O-OG 2.89Å; K199-S202 VanDerWaalsContact O-OG 3.08Å; S202-K206 WeakPolarHBondContact O-CG 3.06Å; S202-K206 PolarHBondContact O-N 2.73Å |
| 203 | D | 76.2 | Confident | 71.4 | Confident | 61 Ų | 61 | 111.2 Ų | 111.2 | 33% | 0.326 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.6 | -39.3 | 177.9 | -69.4 | -13.1 | 0 | 0 | 0 | 110.1 | K199 N201 S205 K206 F207 | K199-D203 VanDerWaalsContact O-CG 3.24Å; K199-D203 PolarHBondContact O-N 3.29Å; N201-D203 VanDerWaalsContact C-N 3.29Å; N201-D203 PolarHBondContact O-N 3.45Å; D203-S205 PolarHBondContact O-N 2.88Å; D203-K206 PolarHBondContact O-N 2.73Å; D203-F207 HydrophobicContact CB-CE2 4.34Å; D203-F207 WeakPolarHBondContact O-CD2 3.41Å; D203-F207 PolarHBondContact O-N 2.68Å; D203-F207 VanDerWaalsContact O-N 3.08Å |
| 204 | L | 74 | Confident | 73.1 | Confident | 106 Ų | 106 | 108.7 Ų | 108.7 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.1 | -48.3 | 176.2 | -164 | 78.9 | 0 | 0 | 0 | 112.7 | V200 N201 K206 F207 E208 | V200-L204 PolarHBondContact O-N 2.83Å; N201-L204 PolarHBondContact O-N 3.46Å; L204-K206 VanDerWaalsContact C-N 3.34Å; L204-K206 PolarHBondContact O-N 3.37Å; L204-F207 PolarHBondContact O-N 2.96Å; L204-F207 VanDerWaalsContact O-N 3.16Å; L204-E208 PolarHBondContact O-N 3.4Å |
| 205 | S | 79.2 | Confident | 75.1 | Confident | 59 Ų | 59 | 108.3 Ų | 108.3 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 179.9 | 171.6 | 0 | 0 | 0 | 0 | 112.8 | N201 D203 E208 D209 | N201-S205 PolarHBondContact O-N 3.36Å; D203-S205 PolarHBondContact O-N 2.88Å; S205-E208 PolarHBondContact O-N 3.16Å; S205-D209 PolarHBondContact O-N 3.24Å |
| 206 | K | 79.2 | Confident | 76.8 | Confident | 127 Ų | 127 | 106.5 Ų | 106.5 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 173.3 | -73.3 | 175 | -177.5 | 173.4 | 0 | 111.9 | S202 D203 L204 E208 D209 E210 | S202-K206 WeakPolarHBondContact O-CG 3.06Å; S202-K206 PolarHBondContact O-N 2.73Å; D203-K206 PolarHBondContact O-N 2.73Å; L204-K206 VanDerWaalsContact C-N 3.34Å; L204-K206 PolarHBondContact O-N 3.37Å; K206-E208 VanDerWaalsContact C-N 3.3Å; K206-E208 PolarHBondContact O-N 3.42Å; K206-D209 PolarHBondContact O-N 2.66Å; K206-E210 WeakPolarHBondContact O-CB 3.12Å; K206-E210 WeakPolarHBondContact O-CG 3.32Å; K206-E210 PolarHBondContact O-N 3.41Å |
| 207 | F | 79.3 | Confident | 78.4 | Confident | 133 Ų | 133 | 107 Ų | 107 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.8 | -34.1 | 175 | -73.8 | -58.9 | 0 | 0 | 0 | 112.3 | D203 L204 K211 | D203-F207 HydrophobicContact CB-CE2 4.34Å; D203-F207 WeakPolarHBondContact O-CD2 3.41Å; D203-F207 PolarHBondContact O-N 2.68Å; D203-F207 VanDerWaalsContact O-N 3.08Å; L204-F207 PolarHBondContact O-N 2.96Å; L204-F207 VanDerWaalsContact O-N 3.16Å; F207-K211 WeakPolarHBondContact O-CB 3.27Å; F207-K211 WeakPolarHBondContact O-CG 3.43Å; F207-K211 PolarHBondContact O-N 2.68Å |
| 208 | E | 82.5 | Confident | 80.1 | Confident | 118 Ų | 118 | 105.9 Ų | 105.9 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67 | -46.2 | 174.3 | -71.4 | 175.1 | 166.7 | 0 | 0 | 112.4 | L204 S205 K206 E210 K211 L212 | L204-E208 PolarHBondContact O-N 3.4Å; S205-E208 PolarHBondContact O-N 3.16Å; K206-E208 VanDerWaalsContact C-N 3.3Å; K206-E208 PolarHBondContact O-N 3.42Å; E208-E210 VanDerWaalsContact C-N 3.34Å; E208-E210 PolarHBondContact O-N 2.67Å; E208-K211 WeakPolarHBondContact O-CB 3.33Å; E208-K211 PolarHBondContact O-N 2.81Å; E208-K211 VanDerWaalsContact O-N 3.13Å; E208-L212 PolarHBondContact O-N 3.49Å |
| 209 | D | 84.6 | Confident | 81.6 | Confident | 90 Ų | 90 | 105.4 Ų | 105.4 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 176.8 | -78.4 | -20.8 | 0 | 0 | 0 | 112.1 | S205 K206 K211 L212 R213 | S205-D209 PolarHBondContact O-N 3.24Å; K206-D209 PolarHBondContact O-N 2.66Å; D209-K211 VanDerWaalsContact C-N 3.32Å; D209-L212 PolarHBondContact O-N 2.79Å; D209-R213 WeakPolarHBondContact O-CG 2.96Å; D209-R213 PolarHBondContact O-N 3.14Å |
| 210 | E | 84.2 | Confident | 82.7 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 48% | 0.481 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 173.6 | -74.6 | 179.3 | -178.8 | 0 | 0 | 111.6 | K206 E208 R213 Q214 | K206-E210 WeakPolarHBondContact O-CB 3.12Å; K206-E210 WeakPolarHBondContact O-CG 3.32Å; K206-E210 PolarHBondContact O-N 3.41Å; E208-E210 VanDerWaalsContact C-N 3.34Å; E208-E210 PolarHBondContact O-N 2.67Å; E210-R213 PolarHBondContact O-N 3.43Å; E210-Q214 VanDerWaalsContact O-CG 3.31Å; E210-Q214 WeakPolarHBondContact O-CG 3.42Å; E210-Q214 PolarHBondContact O-N 2.64Å |
| 211 | K | 86.5 | Confident | 84.1 | Confident | 115 Ų | 115 | 108 Ų | 108 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 174.2 | -89.2 | -73.9 | 166.7 | -152.5 | 0 | 112.4 | F207 E208 D209 R213 Q214 D215 | F207-K211 WeakPolarHBondContact O-CB 3.27Å; F207-K211 WeakPolarHBondContact O-CG 3.43Å; F207-K211 PolarHBondContact O-N 2.68Å; E208-K211 WeakPolarHBondContact O-CB 3.33Å; E208-K211 PolarHBondContact O-N 2.81Å; E208-K211 VanDerWaalsContact O-N 3.13Å; D209-K211 VanDerWaalsContact C-N 3.32Å; K211-R213 VanDerWaalsContact C-N 3.33Å; K211-R213 PolarHBondContact O-N 3.33Å; K211-Q214 CarbonylContact O-C 3.58Å; K211-Q214 WeakPolarHBondContact O-CA 3.36Å; K211-Q214 WeakPolarHBondContact O-CB 3.45Å; K211-Q214 PolarHBondContact O-N 2.67Å; K211-Q214 VanDerWaalsContact O-N 3.12Å; K211-D215 VanDerWaalsContact O-CG 3.24Å; K211-D215 PolarHBondContact O-N 3.04Å |
| 212 | L | 86.5 | Confident | 85.2 | Confident | 102 Ų | 102 | 107 Ų | 107 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 176.5 | -177.5 | 65.5 | 0 | 0 | 0 | 111.8 | E208 D209 Q214 D215 I216 | E208-L212 PolarHBondContact O-N 3.49Å; D209-L212 PolarHBondContact O-N 2.79Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-D215 PolarHBondContact O-N 3.26Å; L212-I216 HydrophobicContact CD1-CD1 4.47Å; L212-I216 HydrophobicContact CG-CD1 4.21Å; L212-I216 WeakPolarHBondContact O-CG1 3.29Å; L212-I216 PolarHBondContact O-N 2.97Å |
| 213 | R | 86.5 | Confident | 86 | Confident | 188 Ų | 188 | 107.4 Ų | 107.4 | 71% | 0.709 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -39.6 | 174.6 | -74.7 | 179.5 | -176.5 | 165.9 | 4.2 | 112.3 | D209 E210 K211 L217 | D209-R213 WeakPolarHBondContact O-CG 2.96Å; D209-R213 PolarHBondContact O-N 3.14Å; E210-R213 PolarHBondContact O-N 3.43Å; K211-R213 VanDerWaalsContact C-N 3.33Å; K211-R213 PolarHBondContact O-N 3.33Å; R213-L217 WeakPolarHBondContact O-CB 3.16Å; R213-L217 PolarHBondContact O-N 3.17Å; R213-L217 VanDerWaalsContact O-N 3.16Å |
| 214 | Q | 87.2 | Confident | 86.8 | Confident | 95 Ų | 95 | 109.5 Ų | 109.5 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 172.9 | -76.7 | 175.5 | 6.6 | 0 | 0 | 110.8 | E210 K211 L212 I216 L217 V218 | E210-Q214 VanDerWaalsContact O-CG 3.31Å; E210-Q214 WeakPolarHBondContact O-CG 3.42Å; E210-Q214 PolarHBondContact O-N 2.64Å; K211-Q214 CarbonylContact O-C 3.58Å; K211-Q214 WeakPolarHBondContact O-CA 3.36Å; K211-Q214 WeakPolarHBondContact O-CB 3.45Å; K211-Q214 PolarHBondContact O-N 2.67Å; K211-Q214 VanDerWaalsContact O-N 3.12Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; Q214-I216 PolarHBondContact O-N 3.48Å; Q214-L217 PolarHBondContact O-N 3.32Å; Q214-V218 VanDerWaalsContact O-CG2 3.26Å; Q214-V218 WeakPolarHBondContact O-CG2 3.3Å; Q214-V218 PolarHBondContact O-N 2.87Å |
| 215 | D | 92.3 | Very high | 87.6 | Confident | 92 Ų | 92 | 107.4 Ų | 107.4 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | -177 | -67.2 | -19 | 0 | 0 | 0 | 112.1 | K211 L212 L217 V218 D219 | K211-D215 VanDerWaalsContact O-CG 3.24Å; K211-D215 PolarHBondContact O-N 3.04Å; L212-D215 PolarHBondContact O-N 3.26Å; D215-L217 VanDerWaalsContact C-N 3.33Å; D215-L217 PolarHBondContact O-N 3.45Å; D215-V218 PolarHBondContact O-N 2.81Å; D215-D219 WeakPolarHBondContact O-CB 3.18Å; D215-D219 PolarHBondContact O-N 2.73Å |
| 216 | I | 88.9 | Confident | 88.3 | Confident | 110 Ų | 110 | 107.6 Ų | 107.6 | 56% | 0.564 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 174.5 | -67 | 167.6 | 0 | 0 | 0 | 111.2 | L212 Q214 D219 R220 | L212-I216 HydrophobicContact CD1-CD1 4.47Å; L212-I216 HydrophobicContact CG-CD1 4.21Å; L212-I216 WeakPolarHBondContact O-CG1 3.29Å; L212-I216 PolarHBondContact O-N 2.97Å; Q214-I216 PolarHBondContact O-N 3.48Å; I216-D219 PolarHBondContact O-N 3.36Å; I216-R220 PolarHBondContact O-N 2.84Å |
| 217 | L | 89 | Confident | 89 | Confident | 101 Ų | 101 | 106.5 Ų | 106.5 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.8 | -177 | 64.8 | 0 | 0 | 0 | 111 | R213 Q214 D215 R220 M221 | R213-L217 WeakPolarHBondContact O-CB 3.16Å; R213-L217 PolarHBondContact O-N 3.17Å; R213-L217 VanDerWaalsContact O-N 3.16Å; Q214-L217 PolarHBondContact O-N 3.32Å; D215-L217 VanDerWaalsContact C-N 3.33Å; D215-L217 PolarHBondContact O-N 3.45Å; L217-R220 PolarHBondContact O-N 3.18Å; L217-M221 HydrophobicContact CD1-CE 4.33Å; L217-M221 WeakPolarHBondContact O-CB 3.1Å; L217-M221 VanDerWaalsContact O-CG 3.26Å; L217-M221 WeakPolarHBondContact O-CG 3.25Å; L217-M221 PolarHBondContact O-N 3.27Å |
| 218 | V | 91.3 | Very high | 89.6 | Confident | 89 Ų | 89 | 104.2 Ų | 104.2 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 175.8 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | Q214 D215 R220 M221 Q222 | Q214-V218 VanDerWaalsContact O-CG2 3.26Å; Q214-V218 WeakPolarHBondContact O-CG2 3.3Å; Q214-V218 PolarHBondContact O-N 2.87Å; D215-V218 PolarHBondContact O-N 2.81Å; V218-R220 PolarHBondContact O-N 2.89Å; V218-M221 CarbonylContact O-C 3.57Å; V218-M221 PolarHBondContact O-N 3.12Å; V218-Q222 VanDerWaalsContact O-CB 3.3Å; V218-Q222 WeakPolarHBondContact O-CB 3.5Å; V218-Q222 PolarHBondContact O-N 2.71Å |
| 219 | D | 92 | Very high | 90.1 | Very high | 104 Ų | 104 | 103.9 Ų | 103.9 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | 178.3 | -173.4 | 59.4 | 0 | 0 | 0 | 112.3 | D215 I216 M221 Q222 T223 | D215-D219 WeakPolarHBondContact O-CB 3.18Å; D215-D219 PolarHBondContact O-N 2.73Å; I216-D219 PolarHBondContact O-N 3.36Å; D219-M221 VanDerWaalsContact C-N 3.33Å; D219-M221 PolarHBondContact O-N 2.69Å; D219-Q222 PolarHBondContact O-N 3.32Å; D219-T223 WeakPolarHBondContact O-CG2 3.25Å; D219-T223 PolarHBondContact O-N 2.71Å; D219-T223 PolarHBondContact O-OG1 3Å |
| 220 | R | 91.6 | Very high | 90.6 | Very high | 191 Ų | 191 | 105 Ų | 105 | 72% | 0.721 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | 174.5 | -170.8 | 177.8 | 178.7 | 173.5 | 1 | 112.5 | I216 L217 V218 T223 K224 | I216-R220 PolarHBondContact O-N 2.84Å; L217-R220 PolarHBondContact O-N 3.18Å; V218-R220 PolarHBondContact O-N 2.89Å; R220-T223 WeakPolarHBondContact CA-OG1 3.19Å; R220-T223 PolarHBondContact O-OG1 3.35Å; R220-K224 WeakPolarHBondContact O-CB 3.22Å; R220-K224 PolarHBondContact O-N 2.82Å |
| 221 | M | 90.8 | Very high | 91.1 | Very high | 120 Ų | 120 | 103.8 Ų | 103.8 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.7 | -40 | 174.8 | -71.2 | -67 | -176.5 | 0 | 0 | 111 | L217 V218 D219 K224 V225 | L217-M221 HydrophobicContact CD1-CE 4.33Å; L217-M221 WeakPolarHBondContact O-CB 3.1Å; L217-M221 VanDerWaalsContact O-CG 3.26Å; L217-M221 WeakPolarHBondContact O-CG 3.25Å; L217-M221 PolarHBondContact O-N 3.27Å; V218-M221 CarbonylContact O-C 3.57Å; V218-M221 PolarHBondContact O-N 3.12Å; D219-M221 VanDerWaalsContact C-N 3.33Å; D219-M221 PolarHBondContact O-N 2.69Å; M221-K224 PolarHBondContact O-N 3.34Å; M221-V225 WeakPolarHBondContact O-CB 3.47Å; M221-V225 VanDerWaalsContact O-CG2 3.26Å; M221-V225 WeakPolarHBondContact O-CG2 3.25Å; M221-V225 PolarHBondContact O-N 3.35Å |
| 222 | Q | 92.9 | Very high | 91.3 | Very high | 88 Ų | 88 | 102.8 Ų | 102.8 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -48.2 | -180 | -170.9 | 61.4 | 35.1 | 0 | 0 | 111.4 | V218 D219 K224 V225 D226 | V218-Q222 VanDerWaalsContact O-CB 3.3Å; V218-Q222 WeakPolarHBondContact O-CB 3.5Å; V218-Q222 PolarHBondContact O-N 2.71Å; D219-Q222 PolarHBondContact O-N 3.32Å; Q222-K224 VanDerWaalsContact C-N 3.26Å; Q222-K224 PolarHBondContact O-N 3.47Å; Q222-V225 WeakPolarHBondContact O-CB 3.2Å; Q222-V225 PolarHBondContact O-N 2.71Å; Q222-V225 VanDerWaalsContact O-N 3.1Å; Q222-D226 PolarHBondContact NE2-OD1 3.36Å; Q222-D226 VanDerWaalsContact O-CG 3.3Å; Q222-D226 PolarHBondContact O-N 3.47Å |
| 223 | T | 91 | Very high | 91.5 | Very high | 64 Ų | 64 | 100.2 Ų | 100.2 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.5 | -37.6 | 173.7 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | D219 R220 D226 Q227 | D219-T223 WeakPolarHBondContact O-CG2 3.25Å; D219-T223 PolarHBondContact O-N 2.71Å; D219-T223 PolarHBondContact O-OG1 3Å; R220-T223 WeakPolarHBondContact CA-OG1 3.19Å; R220-T223 PolarHBondContact O-OG1 3.35Å; T223-D226 PolarHBondContact O-N 3.15Å; T223-Q227 WeakPolarHBondContact O-CG 3.48Å; T223-Q227 PolarHBondContact O-N 2.79Å |
| 224 | K | 93 | Very high | 91.8 | Very high | 104 Ų | 104 | 95.7 Ų | 95.7 | 45% | 0.452 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.1 | -36.8 | 175.3 | -166.9 | 50.7 | 170.8 | 168.4 | 0 | 112.8 | R220 M221 Q222 D226 L228 | R220-K224 WeakPolarHBondContact O-CB 3.22Å; R220-K224 PolarHBondContact O-N 2.82Å; M221-K224 PolarHBondContact O-N 3.34Å; Q222-K224 VanDerWaalsContact C-N 3.26Å; Q222-K224 PolarHBondContact O-N 3.47Å; K224-D226 VanDerWaalsContact C-N 3.34Å; K224-L228 HydrophobicContact CG-CD1 4.4Å; K224-L228 WeakPolarHBondContact O-CB 3.47Å; K224-L228 VanDerWaalsContact O-CG 3.27Å; K224-L228 WeakPolarHBondContact O-CG 3.5Å; K224-L228 PolarHBondContact O-N 2.94Å |
| 225 | V | 91.5 | Very high | 92.1 | Very high | 63 Ų | 63 | 98 Ų | 98 | 38% | 0.382 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 173 | 164.9 | 0 | 0 | 0 | 0 | 110.6 | M221 Q222 L228 K229 | M221-V225 WeakPolarHBondContact O-CB 3.47Å; M221-V225 VanDerWaalsContact O-CG2 3.26Å; M221-V225 WeakPolarHBondContact O-CG2 3.25Å; M221-V225 PolarHBondContact O-N 3.35Å; Q222-V225 WeakPolarHBondContact O-CB 3.2Å; Q222-V225 PolarHBondContact O-N 2.71Å; Q222-V225 VanDerWaalsContact O-N 3.1Å; V225-L228 PolarHBondContact O-N 3.39Å; V225-K229 HydrophobicContact CG1-CD 4.24Å; V225-K229 WeakPolarHBondContact O-CG 3.5Å; V225-K229 PolarHBondContact O-N 3.03Å |
| 226 | D | 93.1 | Very high | 92.2 | Very high | 63 Ų | 63 | 99.5 Ų | 99.5 | 34% | 0.337 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.7 | -41.9 | -179.4 | -64.8 | -26.2 | 0 | 0 | 0 | 111.4 | Q222 T223 K224 L228 K229 D230 | Q222-D226 PolarHBondContact NE2-OD1 3.36Å; Q222-D226 VanDerWaalsContact O-CG 3.3Å; Q222-D226 PolarHBondContact O-N 3.47Å; T223-D226 PolarHBondContact O-N 3.15Å; K224-D226 VanDerWaalsContact C-N 3.34Å; D226-L228 VanDerWaalsContact C-N 3.33Å; D226-L228 PolarHBondContact O-N 3.42Å; D226-K229 WeakPolarHBondContact O-CB 3.41Å; D226-K229 PolarHBondContact O-N 2.99Å; D226-K229 VanDerWaalsContact O-N 3.16Å; D226-K229 IonicContact OD1-NZ 2.81Å; D226-K229 PolarHBondContact OD1-NZ 2.85Å; D226-D230 PolarHBondContact O-N 2.66Å |
| 227 | Q | 93.8 | Very high | 92.3 | Very high | 103 Ų | 103 | 98.6 Ų | 98.6 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.8 | -45.8 | 169.9 | -74.6 | 174.3 | 1.7 | 0 | 0 | 112.5 | T223 K229 D230 D231 | T223-Q227 WeakPolarHBondContact O-CG 3.48Å; T223-Q227 PolarHBondContact O-N 2.79Å; Q227-K229 VanDerWaalsContact C-N 3.32Å; Q227-K229 PolarHBondContact O-N 3.11Å; Q227-D230 PolarHBondContact O-N 3.49Å; Q227-D231 PolarHBondContact O-N 3.2Å |
| 228 | L | 93.7 | Very high | 92.4 | Very high | 86 Ų | 86 | 98.2 Ų | 98.2 | 45% | 0.45 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -32.7 | 179.4 | -73 | 171.2 | 0 | 0 | 0 | 112.2 | K224 V225 D226 I232 | K224-L228 HydrophobicContact CG-CD1 4.4Å; K224-L228 WeakPolarHBondContact O-CB 3.47Å; K224-L228 VanDerWaalsContact O-CG 3.27Å; K224-L228 WeakPolarHBondContact O-CG 3.5Å; K224-L228 PolarHBondContact O-N 2.94Å; V225-L228 PolarHBondContact O-N 3.39Å; D226-L228 VanDerWaalsContact C-N 3.33Å; D226-L228 PolarHBondContact O-N 3.42Å; L228-I232 WeakPolarHBondContact O-CB 3.48Å; L228-I232 WeakPolarHBondContact O-CD1 3.06Å; L228-I232 WeakPolarHBondContact O-CG1 3.04Å; L228-I232 PolarHBondContact O-N 2.84Å |
| 229 | K | 92.8 | Very high | 92.4 | Very high | 110 Ų | 110 | 98.4 Ų | 98.4 | 48% | 0.478 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 173.3 | -75.6 | 171.8 | -175.4 | 164 | 0 | 111.7 | V225 D226 Q227 I232 A233 | V225-K229 HydrophobicContact CG1-CD 4.24Å; V225-K229 WeakPolarHBondContact O-CG 3.5Å; V225-K229 PolarHBondContact O-N 3.03Å; D226-K229 WeakPolarHBondContact O-CB 3.41Å; D226-K229 PolarHBondContact O-N 2.99Å; D226-K229 VanDerWaalsContact O-N 3.16Å; D226-K229 IonicContact OD1-NZ 2.81Å; D226-K229 PolarHBondContact OD1-NZ 2.85Å; Q227-K229 VanDerWaalsContact C-N 3.32Å; Q227-K229 PolarHBondContact O-N 3.11Å; K229-I232 PolarHBondContact O-N 3.39Å; K229-A233 WeakPolarHBondContact O-CB 3.15Å; K229-A233 PolarHBondContact O-N 3.44Å |
| 230 | D | 93.3 | Very high | 92.4 | Very high | 115 Ų | 115 | 95.6 Ų | 95.6 | 62% | 0.615 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 176.3 | -70.8 | -15.8 | 0 | 0 | 0 | 110.6 | D226 Q227 I232 A233 L234 | D226-D230 PolarHBondContact O-N 2.66Å; Q227-D230 PolarHBondContact O-N 3.49Å; D230-I232 PolarHBondContact O-N 2.92Å; D230-A233 PolarHBondContact O-N 2.81Å; D230-L234 WeakPolarHBondContact O-CB 3.49Å; D230-L234 PolarHBondContact O-N 2.85Å |
| 231 | D | 94.6 | Very high | 92.4 | Very high | 76 Ų | 76 | 88.8 Ų | 88.8 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 174.2 | -72.9 | -21 | 0 | 0 | 0 | 111.4 | Q227 L234 Y235 | Q227-D231 PolarHBondContact O-N 3.2Å; D231-L234 PolarHBondContact O-N 3.48Å; D231-Y235 HydrophobicContact CB-CD2 4.49Å; D231-Y235 HydrophobicContact CB-CE2 4.24Å; D231-Y235 WeakPolarHBondContact O-CD2 3.24Å; D231-Y235 PolarHBondContact O-N 3.44Å |
| 232 | I | 90.7 | Very high | 92.4 | Very high | 95 Ų | 95 | 89 Ų | 89 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 176.6 | -72.6 | 163.4 | 0 | 0 | 0 | 110.6 | L228 K229 D230 L234 Y235 E236 | L228-I232 WeakPolarHBondContact O-CB 3.48Å; L228-I232 WeakPolarHBondContact O-CD1 3.06Å; L228-I232 WeakPolarHBondContact O-CG1 3.04Å; L228-I232 PolarHBondContact O-N 2.84Å; K229-I232 PolarHBondContact O-N 3.39Å; D230-I232 PolarHBondContact O-N 2.92Å; I232-L234 VanDerWaalsContact C-N 3.28Å; I232-L234 PolarHBondContact O-N 3.07Å; I232-Y235 PolarHBondContact O-N 3.3Å; I232-E236 HydrophobicContact CG2-CG 4.34Å; I232-E236 WeakPolarHBondContact O-CB 3.19Å; I232-E236 WeakPolarHBondContact O-CG 3.41Å; I232-E236 PolarHBondContact O-N 3.38Å |
| 233 | A | 92.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 90.1 Ų | 90.1 | 39% | 0.388 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K229 D230 E236 T237 | K229-A233 WeakPolarHBondContact O-CB 3.15Å; K229-A233 PolarHBondContact O-N 3.44Å; D230-A233 PolarHBondContact O-N 2.81Å; A233-E236 PolarHBondContact O-N 3.29Å; A233-T237 WeakPolarHBondContact O-CG2 3.32Å; A233-T237 PolarHBondContact O-N 2.74Å; A233-T237 PolarHBondContact O-OG1 3.5Å |
| 234 | L | 92.3 | Very high | 92.4 | Very high | 94 Ų | 94 | 92.4 Ų | 92.4 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 177.5 | -147.5 | 155.9 | 0 | 0 | 0 | 111 | D230 D231 I232 E236 T237 Q238 | D230-L234 WeakPolarHBondContact O-CB 3.49Å; D230-L234 PolarHBondContact O-N 2.85Å; D231-L234 PolarHBondContact O-N 3.48Å; I232-L234 VanDerWaalsContact C-N 3.28Å; I232-L234 PolarHBondContact O-N 3.07Å; L234-E236 PolarHBondContact O-N 2.92Å; L234-T237 PolarHBondContact O-N 3.33Å; L234-T237 PolarHBondContact O-OG1 3.41Å; L234-Q238 HydrophobicContact CD2-CG 4.35Å; L234-Q238 WeakPolarHBondContact O-CG 3.37Å; L234-Q238 PolarHBondContact O-N 3.17Å |
| 235 | Y | 94 | Very high | 92.1 | Very high | 143 Ų | 143 | 93.7 Ų | 93.7 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.6 | -37.9 | 174.7 | -70.2 | -56.6 | 0 | 0 | 0 | 112.8 | D231 I232 T237 Q238 I239 | D231-Y235 HydrophobicContact CB-CD2 4.49Å; D231-Y235 HydrophobicContact CB-CE2 4.24Å; D231-Y235 WeakPolarHBondContact O-CD2 3.24Å; D231-Y235 PolarHBondContact O-N 3.44Å; I232-Y235 PolarHBondContact O-N 3.3Å; Y235-T237 PolarHBondContact O-N 2.79Å; Y235-Q238 PolarHBondContact O-N 3.35Å; Y235-I239 VanDerWaalsContact O-CG1 3.27Å; Y235-I239 WeakPolarHBondContact O-CG1 3.08Å; Y235-I239 PolarHBondContact O-N 2.78Å |
| 236 | E | 93.6 | Very high | 91.9 | Very high | 123 Ų | 123 | 95.9 Ų | 95.9 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.8 | -43.4 | 174 | -76.3 | 177.8 | 172.7 | 0 | 0 | 111.6 | I232 A233 L234 Q238 I239 A240 | I232-E236 HydrophobicContact CG2-CG 4.34Å; I232-E236 WeakPolarHBondContact O-CB 3.19Å; I232-E236 WeakPolarHBondContact O-CG 3.41Å; I232-E236 PolarHBondContact O-N 3.38Å; A233-E236 PolarHBondContact O-N 3.29Å; L234-E236 PolarHBondContact O-N 2.92Å; E236-Q238 VanDerWaalsContact C-N 3.34Å; E236-Q238 PolarHBondContact O-N 3.04Å; E236-I239 PolarHBondContact O-N 3.41Å; E236-A240 WeakPolarHBondContact O-CB 3.26Å; E236-A240 PolarHBondContact O-N 3.3Å |
| 237 | T | 91.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 96.8 Ų | 96.8 | 56% | 0.564 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65 | -36.6 | 175.5 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | A233 L234 Y235 A241 | A233-T237 WeakPolarHBondContact O-CG2 3.32Å; A233-T237 PolarHBondContact O-N 2.74Å; A233-T237 PolarHBondContact O-OG1 3.5Å; L234-T237 PolarHBondContact O-N 3.33Å; L234-T237 PolarHBondContact O-OG1 3.41Å; Y235-T237 PolarHBondContact O-N 2.79Å; T237-A241 WeakPolarHBondContact O-CB 3.34Å; T237-A241 PolarHBondContact O-N 2.76Å |
| 238 | Q | 91 | Very high | 91.8 | Very high | 92 Ų | 92 | 95.6 Ų | 95.6 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 175.4 | -74.4 | -178.5 | -3.4 | 0 | 0 | 112.1 | L234 Y235 E236 A241 Q242 | L234-Q238 HydrophobicContact CD2-CG 4.35Å; L234-Q238 WeakPolarHBondContact O-CG 3.37Å; L234-Q238 PolarHBondContact O-N 3.17Å; Y235-Q238 PolarHBondContact O-N 3.35Å; E236-Q238 VanDerWaalsContact C-N 3.34Å; E236-Q238 PolarHBondContact O-N 3.04Å; Q238-A241 PolarHBondContact O-N 3.33Å; Q238-Q242 WeakPolarHBondContact O-CG 3.45Å; Q238-Q242 PolarHBondContact O-N 2.75Å |
| 239 | I | 90.8 | Very high | 91.5 | Very high | 93 Ų | 93 | 94.8 Ų | 94.8 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 177 | -69.3 | 165.9 | 0 | 0 | 0 | 109.9 | Y235 E236 A241 Q242 E243 | Y235-I239 VanDerWaalsContact O-CG1 3.27Å; Y235-I239 WeakPolarHBondContact O-CG1 3.08Å; Y235-I239 PolarHBondContact O-N 2.78Å; E236-I239 PolarHBondContact O-N 3.41Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 2.84Å; I239-Q242 PolarHBondContact O-N 2.75Å; I239-E243 HydrophobicContact CG2-CG 4.49Å; I239-E243 WeakPolarHBondContact O-CG 3.38Å; I239-E243 PolarHBondContact O-N 2.86Å |
| 240 | A | 93 | Very high | 91.5 | Very high | 45 Ų | 45 | 93.2 Ų | 93.2 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E236 E243 I244 | E236-A240 WeakPolarHBondContact O-CB 3.26Å; E236-A240 PolarHBondContact O-N 3.3Å; A240-E243 PolarHBondContact O-N 2.99Å; A240-I244 WeakPolarHBondContact O-CG1 3.29Å; A240-I244 PolarHBondContact O-N 3.45Å; A240-I244 VanDerWaalsContact O-N 3.14Å |
| 241 | A | 91.2 | Very high | 91.4 | Very high | 49 Ų | 49 | 92.8 Ų | 92.8 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | T237 Q238 I239 E243 I244 E245 | T237-A241 WeakPolarHBondContact O-CB 3.34Å; T237-A241 PolarHBondContact O-N 2.76Å; Q238-A241 PolarHBondContact O-N 3.33Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 2.84Å; A241-E243 PolarHBondContact O-N 3.29Å; A241-I244 PolarHBondContact O-N 3.12Å; A241-E245 PolarHBondContact O-N 3.22Å |
| 242 | Q | 90.3 | Very high | 91.2 | Very high | 125 Ų | 125 | 95.4 Ų | 95.4 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -36.4 | 177.4 | -73.3 | 177.7 | -4.3 | 0 | 0 | 112.5 | Q238 I239 E245 M246 | Q238-Q242 WeakPolarHBondContact O-CG 3.45Å; Q238-Q242 PolarHBondContact O-N 2.75Å; I239-Q242 PolarHBondContact O-N 2.75Å; Q242-E245 PolarHBondContact O-N 3.49Å; Q242-M246 VanDerWaalsContact O-CB 3.3Å; Q242-M246 WeakPolarHBondContact O-CB 3.42Å; Q242-M246 PolarHBondContact O-N 3.13Å |
| 243 | E | 91.9 | Very high | 91.2 | Very high | 111 Ų | 111 | 96.4 Ų | 96.4 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 173.5 | -76.7 | -177.6 | 171 | 0 | 0 | 112 | I239 A240 A241 M246 N247 | I239-E243 HydrophobicContact CG2-CG 4.49Å; I239-E243 WeakPolarHBondContact O-CG 3.38Å; I239-E243 PolarHBondContact O-N 2.86Å; A240-E243 PolarHBondContact O-N 2.99Å; A241-E243 PolarHBondContact O-N 3.29Å; E243-M246 PolarHBondContact O-N 2.82Å; E243-N247 VanDerWaalsContact O-CB 3.31Å; E243-N247 WeakPolarHBondContact O-CB 3.27Å; E243-N247 VanDerWaalsContact O-CG 3.26Å; E243-N247 PolarHBondContact O-N 3.08Å; E243-N247 PolarHBondContact O-ND2 3.13Å; E243-N247 VanDerWaalsContact O-ND2 3.09Å |
| 244 | I | 91.7 | Very high | 91.2 | Very high | 111 Ų | 111 | 100.1 Ų | 100.1 | 57% | 0.569 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 174.6 | -66.3 | 165.5 | 0 | 0 | 0 | 110.5 | A240 A241 N247 T248 | A240-I244 WeakPolarHBondContact O-CG1 3.29Å; A240-I244 PolarHBondContact O-N 3.45Å; A240-I244 VanDerWaalsContact O-N 3.14Å; A241-I244 PolarHBondContact O-N 3.12Å; I244-N247 PolarHBondContact O-N 2.68Å; I244-T248 WeakPolarHBondContact O-CB 3.31Å; I244-T248 WeakPolarHBondContact O-CG2 3.12Å; I244-T248 PolarHBondContact O-N 3.45Å; I244-T248 PolarHBondContact O-OG1 2.55Å |
| 245 | E | 87.8 | Confident | 91.1 | Very high | 131 Ų | 131 | 97.7 Ų | 97.7 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.5 | -39.8 | 176.2 | -74.8 | -171.7 | 166.9 | 0 | 0 | 112.7 | A241 Q242 T248 S249 | A241-E245 PolarHBondContact O-N 3.22Å; Q242-E245 PolarHBondContact O-N 3.49Å; E245-T248 VanDerWaalsContact CA-OG1 3.3Å; E245-T248 WeakPolarHBondContact CA-OG1 3.49Å; E245-T248 PolarHBondContact O-OG1 3.4Å; E245-S249 VanDerWaalsContact O-CB 3.27Å; E245-S249 WeakPolarHBondContact O-CB 3.38Å; E245-S249 PolarHBondContact O-N 3.06Å; E245-S249 PolarHBondContact O-OG 2.95Å |
| 246 | M | 87.9 | Confident | 90.9 | Very high | 110 Ų | 110 | 92.9 Ų | 92.9 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 175.8 | -171.5 | -171.2 | 74.5 | 0 | 0 | 110.8 | Q242 E243 S249 Q250 | Q242-M246 VanDerWaalsContact O-CB 3.3Å; Q242-M246 WeakPolarHBondContact O-CB 3.42Å; Q242-M246 PolarHBondContact O-N 3.13Å; E243-M246 PolarHBondContact O-N 2.82Å; M246-S249 PolarHBondContact O-N 3.47Å; M246-Q250 VanDerWaalsContact O-CB 3.31Å; M246-Q250 WeakPolarHBondContact O-CB 3.28Å; M246-Q250 PolarHBondContact O-N 3.44Å |
| 247 | N | 92.3 | Very high | 90.8 | Very high | 82 Ų | 82 | 92.7 Ų | 92.7 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 178.4 | -78.3 | -34.8 | 0 | 0 | 0 | 112.3 | E243 I244 Q250 N251 | E243-N247 VanDerWaalsContact O-CB 3.31Å; E243-N247 WeakPolarHBondContact O-CB 3.27Å; E243-N247 VanDerWaalsContact O-CG 3.26Å; E243-N247 PolarHBondContact O-N 3.08Å; E243-N247 PolarHBondContact O-ND2 3.13Å; E243-N247 VanDerWaalsContact O-ND2 3.09Å; I244-N247 PolarHBondContact O-N 2.68Å; N247-Q250 PolarHBondContact O-N 2.91Å; N247-N251 WeakPolarHBondContact O-CB 3.48Å; N247-N251 VanDerWaalsContact O-CG 3.26Å; N247-N251 PolarHBondContact O-N 2.75Å; N247-N251 PolarHBondContact O-ND2 2.78Å |
| 248 | T | 91 | Very high | 90.8 | Very high | 78 Ų | 78 | 92.4 Ų | 92.4 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.9 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | I244 E245 N251 L252 | I244-T248 WeakPolarHBondContact O-CB 3.31Å; I244-T248 WeakPolarHBondContact O-CG2 3.12Å; I244-T248 PolarHBondContact O-N 3.45Å; I244-T248 PolarHBondContact O-OG1 2.55Å; E245-T248 VanDerWaalsContact CA-OG1 3.3Å; E245-T248 WeakPolarHBondContact CA-OG1 3.49Å; E245-T248 PolarHBondContact O-OG1 3.4Å; T248-N251 PolarHBondContact O-N 3.42Å; T248-L252 WeakPolarHBondContact O-CB 3.21Å; T248-L252 PolarHBondContact O-N 2.61Å |
| 249 | S | 88.1 | Confident | 90.7 | Very high | 69 Ų | 69 | 94 Ų | 94 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 174.8 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | E245 M246 L252 L253 | E245-S249 VanDerWaalsContact O-CB 3.27Å; E245-S249 WeakPolarHBondContact O-CB 3.38Å; E245-S249 PolarHBondContact O-N 3.06Å; E245-S249 PolarHBondContact O-OG 2.95Å; M246-S249 PolarHBondContact O-N 3.47Å; S249-L252 WeakPolarHBondContact O-CB 3.44Å; S249-L252 PolarHBondContact O-N 3.28Å; S249-L253 WeakPolarHBondContact O-CG 3.44Å; S249-L253 PolarHBondContact O-N 2.71Å |
| 250 | Q | 92.3 | Very high | 90.7 | Very high | 76 Ų | 76 | 95.7 Ų | 95.7 | 36% | 0.355 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 177.1 | -172.8 | 165.1 | -3.9 | 0 | 0 | 111.9 | M246 N247 L252 L253 Y254 | M246-Q250 VanDerWaalsContact O-CB 3.31Å; M246-Q250 WeakPolarHBondContact O-CB 3.28Å; M246-Q250 PolarHBondContact O-N 3.44Å; N247-Q250 PolarHBondContact O-N 2.91Å; Q250-L252 VanDerWaalsContact C-N 3.29Å; Q250-L252 PolarHBondContact O-N 2.83Å; Q250-L253 PolarHBondContact O-N 2.61Å; Q250-Y254 HydrophobicContact CG-CD2 4.07Å; Q250-Y254 HydrophobicContact CG-CE2 3.55Å; Q250-Y254 PolarHBondContact NE2-OH 3.21Å; Q250-Y254 VanDerWaalsContact NE2-OH 3.12Å; Q250-Y254 VanDerWaalsContact O-CD2 3.24Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.43Å; Q250-Y254 PolarHBondContact O-N 3.2Å |
| 251 | N | 92.2 | Very high | 90.7 | Very high | 107 Ų | 107 | 97.7 Ų | 97.7 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -37.6 | 171.8 | -73 | -28.1 | 0 | 0 | 0 | 112.3 | N247 T248 Y254 A255 | N247-N251 WeakPolarHBondContact O-CB 3.48Å; N247-N251 VanDerWaalsContact O-CG 3.26Å; N247-N251 PolarHBondContact O-N 2.75Å; N247-N251 PolarHBondContact O-ND2 2.78Å; T248-N251 PolarHBondContact O-N 3.42Å; N251-Y254 PolarHBondContact O-N 2.86Å; N251-A255 WeakPolarHBondContact O-CB 3.14Å; N251-A255 PolarHBondContact O-N 2.7Å |
| 252 | L | 89.9 | Confident | 90.7 | Very high | 131 Ų | 131 | 99 Ų | 99 | 69% | 0.686 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.9 | -38.7 | 177.6 | -150 | 125.9 | 0 | 0 | 0 | 111.6 | T248 S249 Q250 A255 A256 | T248-L252 WeakPolarHBondContact O-CB 3.21Å; T248-L252 PolarHBondContact O-N 2.61Å; S249-L252 WeakPolarHBondContact O-CB 3.44Å; S249-L252 PolarHBondContact O-N 3.28Å; Q250-L252 VanDerWaalsContact C-N 3.29Å; Q250-L252 PolarHBondContact O-N 2.83Å; L252-A255 PolarHBondContact O-N 3.31Å; L252-A256 WeakPolarHBondContact O-CB 3.27Å; L252-A256 PolarHBondContact O-N 2.87Å |
| 253 | L | 89.8 | Confident | 90.7 | Very high | 115 Ų | 115 | 98 Ų | 98 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 172 | -72.6 | 172.9 | 0 | 0 | 0 | 111.6 | S249 Q250 A255 A256 E257 | S249-L253 WeakPolarHBondContact O-CG 3.44Å; S249-L253 PolarHBondContact O-N 2.71Å; Q250-L253 PolarHBondContact O-N 2.61Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 2.71Å; L253-A256 PolarHBondContact O-N 2.72Å; L253-A256 VanDerWaalsContact O-N 3.15Å; L253-E257 WeakPolarHBondContact O-CG 3.45Å; L253-E257 PolarHBondContact O-N 3.49Å |
| 254 | Y | 92.5 | Very high | 90.7 | Very high | 125 Ų | 125 | 97.5 Ų | 97.5 | 49% | 0.49 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.3 | -72.1 | -45.6 | 0 | 0 | 0 | 112.6 | Q250 N251 E257 T258 | Q250-Y254 HydrophobicContact CG-CD2 4.07Å; Q250-Y254 HydrophobicContact CG-CE2 3.55Å; Q250-Y254 PolarHBondContact NE2-OH 3.21Å; Q250-Y254 VanDerWaalsContact NE2-OH 3.12Å; Q250-Y254 VanDerWaalsContact O-CD2 3.24Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.43Å; Q250-Y254 PolarHBondContact O-N 3.2Å; N251-Y254 PolarHBondContact O-N 2.86Å; Y254-E257 PolarHBondContact O-N 3.38Å; Y254-T258 PolarHBondContact O-N 2.77Å; Y254-T258 PolarHBondContact O-OG1 2.8Å |
| 255 | A | 90.3 | Very high | 90.8 | Very high | 43 Ų | 43 | 97.1 Ų | 97.1 | 36% | 0.355 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | N251 L252 L253 T258 Q259 | N251-A255 WeakPolarHBondContact O-CB 3.14Å; N251-A255 PolarHBondContact O-N 2.7Å; L252-A255 PolarHBondContact O-N 3.31Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 2.71Å; A255-T258 VanDerWaalsContact CA-OG1 3.3Å; A255-T258 WeakPolarHBondContact CA-OG1 3.4Å; A255-T258 PolarHBondContact O-OG1 3.27Å; A255-T258 VanDerWaalsContact O-OG1 3.06Å; A255-Q259 VanDerWaalsContact O-CG 3.29Å; A255-Q259 WeakPolarHBondContact O-CG 3.05Å; A255-Q259 PolarHBondContact O-N 3.32Å |
| 256 | A | 90.4 | Very high | 91 | Very high | 43 Ų | 43 | 95.1 Ų | 95.1 | 36% | 0.355 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L252 L253 T258 Q259 M260 | L252-A256 WeakPolarHBondContact O-CB 3.27Å; L252-A256 PolarHBondContact O-N 2.87Å; L253-A256 PolarHBondContact O-N 2.72Å; L253-A256 VanDerWaalsContact O-N 3.15Å; A256-T258 PolarHBondContact O-N 2.76Å; A256-Q259 PolarHBondContact O-N 3.35Å; A256-M260 WeakPolarHBondContact O-CG 3.41Å; A256-M260 PolarHBondContact O-N 3.38Å |
| 257 | E | 90.7 | Very high | 91.2 | Very high | 118 Ų | 118 | 96.1 Ų | 96.1 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.9 | -44.7 | 174.5 | -76.2 | -177.6 | 167.1 | 0 | 0 | 111.5 | L253 Y254 Q259 M260 V261 | L253-E257 WeakPolarHBondContact O-CG 3.45Å; L253-E257 PolarHBondContact O-N 3.49Å; Y254-E257 PolarHBondContact O-N 3.38Å; E257-Q259 PolarHBondContact O-N 2.78Å; E257-M260 PolarHBondContact O-N 3.48Å; E257-V261 WeakPolarHBondContact O-CG2 3.36Å; E257-V261 PolarHBondContact O-N 3.46Å |
| 258 | T | 91.4 | Very high | 91.2 | Very high | 87 Ų | 87 | 94.8 Ų | 94.8 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.3 | 25.9 | 0 | 0 | 0 | 0 | 111.9 | Y254 A255 A256 M260 V261 T262 | Y254-T258 PolarHBondContact O-N 2.77Å; Y254-T258 PolarHBondContact O-OG1 2.8Å; A255-T258 VanDerWaalsContact CA-OG1 3.3Å; A255-T258 WeakPolarHBondContact CA-OG1 3.4Å; A255-T258 PolarHBondContact O-OG1 3.27Å; A255-T258 VanDerWaalsContact O-OG1 3.06Å; A256-T258 PolarHBondContact O-N 2.76Å; T258-M260 PolarHBondContact O-N 2.81Å; T258-V261 PolarHBondContact O-N 2.79Å; T258-T262 PolarHBondContact O-N 3.47Å; T258-T262 PolarHBondContact O-OG1 2.97Å |
| 259 | Q | 90.3 | Very high | 91.3 | Very high | 125 Ų | 125 | 96.2 Ų | 96.2 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 174.6 | -74.5 | 175.9 | 21.6 | 0 | 0 | 112.5 | A255 A256 E257 V261 T262 I263 | A255-Q259 VanDerWaalsContact O-CG 3.29Å; A255-Q259 WeakPolarHBondContact O-CG 3.05Å; A255-Q259 PolarHBondContact O-N 3.32Å; A256-Q259 PolarHBondContact O-N 3.35Å; E257-Q259 PolarHBondContact O-N 2.78Å; Q259-V261 VanDerWaalsContact C-N 3.33Å; Q259-V261 PolarHBondContact O-N 2.98Å; Q259-T262 PolarHBondContact O-N 2.81Å; Q259-I263 VanDerWaalsContact O-CG1 3.29Å; Q259-I263 WeakPolarHBondContact O-CG1 3.35Å; Q259-I263 PolarHBondContact O-N 3.3Å |
| 260 | M | 89 | Confident | 91.6 | Very high | 129 Ų | 129 | 98 Ų | 98 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -40 | 175.7 | -73.1 | -171.8 | 85.6 | 0 | 0 | 111.9 | A256 E257 T258 I263 N264 | A256-M260 WeakPolarHBondContact O-CG 3.41Å; A256-M260 PolarHBondContact O-N 3.38Å; E257-M260 PolarHBondContact O-N 3.48Å; T258-M260 PolarHBondContact O-N 2.81Å; M260-I263 PolarHBondContact O-N 2.94Å; M260-N264 WeakPolarHBondContact O-CB 3.33Å; M260-N264 PolarHBondContact O-N 3.28Å; M260-N264 PolarHBondContact O-ND2 3.48Å |
| 261 | V | 93.1 | Very high | 91.6 | Very high | 86 Ų | 86 | 98.5 Ų | 98.5 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | E257 T258 Q259 N264 I265 | E257-V261 WeakPolarHBondContact O-CG2 3.36Å; E257-V261 PolarHBondContact O-N 3.46Å; T258-V261 PolarHBondContact O-N 2.79Å; Q259-V261 VanDerWaalsContact C-N 3.33Å; Q259-V261 PolarHBondContact O-N 2.98Å; V261-N264 PolarHBondContact O-N 3.3Å; V261-I265 HydrophobicContact CG1-CD1 3.98Å; V261-I265 WeakPolarHBondContact O-CG1 3.4Å; V261-I265 PolarHBondContact O-N 2.83Å |
| 262 | T | 91.8 | Very high | 91.6 | Very high | 76 Ų | 76 | 97.3 Ų | 97.3 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60 | -47 | 176.8 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | T258 Q259 N264 I265 D266 | T258-T262 PolarHBondContact O-N 3.47Å; T258-T262 PolarHBondContact O-OG1 2.97Å; Q259-T262 PolarHBondContact O-N 2.81Å; T262-N264 VanDerWaalsContact C-N 3.29Å; T262-N264 PolarHBondContact O-N 2.82Å; T262-I265 WeakPolarHBondContact O-CB 3.29Å; T262-I265 PolarHBondContact O-N 3.48Å; T262-I265 VanDerWaalsContact O-N 3.12Å; T262-D266 PolarHBondContact O-N 3.18Å |
| 263 | I | 89.8 | Confident | 91.7 | Very high | 104 Ų | 104 | 95.7 Ų | 95.7 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 177.6 | -69.4 | 166.2 | 0 | 0 | 0 | 111.3 | Q259 M260 I265 D266 K267 | Q259-I263 VanDerWaalsContact O-CG1 3.29Å; Q259-I263 WeakPolarHBondContact O-CG1 3.35Å; Q259-I263 PolarHBondContact O-N 3.3Å; M260-I263 PolarHBondContact O-N 2.94Å; I263-I265 VanDerWaalsContact C-N 3.35Å; I263-D266 PolarHBondContact O-N 3.2Å; I263-K267 WeakPolarHBondContact O-CB 3.48Å; I263-K267 PolarHBondContact O-N 3.45Å |
| 264 | N | 92.5 | Very high | 91.9 | Very high | 101 Ų | 101 | 97.3 Ų | 97.3 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 177.1 | -79.8 | -31.5 | 0 | 0 | 0 | 112.2 | M260 V261 T262 A268 | M260-N264 WeakPolarHBondContact O-CB 3.33Å; M260-N264 PolarHBondContact O-N 3.28Å; M260-N264 PolarHBondContact O-ND2 3.48Å; V261-N264 PolarHBondContact O-N 3.3Å; T262-N264 VanDerWaalsContact C-N 3.29Å; T262-N264 PolarHBondContact O-N 2.82Å; N264-A268 WeakPolarHBondContact O-CB 3.4Å; N264-A268 PolarHBondContact O-N 3.06Å |
| 265 | I | 93.7 | Very high | 91.8 | Very high | 104 Ų | 104 | 97.6 Ų | 97.6 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 173.8 | -67 | 166 | 0 | 0 | 0 | 110.3 | V261 T262 I263 K267 A268 H269 | V261-I265 HydrophobicContact CG1-CD1 3.98Å; V261-I265 WeakPolarHBondContact O-CG1 3.4Å; V261-I265 PolarHBondContact O-N 2.83Å; T262-I265 WeakPolarHBondContact O-CB 3.29Å; T262-I265 PolarHBondContact O-N 3.48Å; T262-I265 VanDerWaalsContact O-N 3.12Å; I263-I265 VanDerWaalsContact C-N 3.35Å; I265-K267 VanDerWaalsContact C-N 3.35Å; I265-K267 PolarHBondContact O-N 2.97Å; I265-A268 WeakPolarHBondContact O-CB 3.43Å; I265-A268 PolarHBondContact O-N 2.66Å; I265-H269 PolarHBondContact O-N 3.39Å |
| 266 | D | 92.6 | Very high | 92 | Very high | 88 Ų | 88 | 99.8 Ų | 99.8 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 178.7 | -71.2 | -17.6 | 0 | 0 | 0 | 111.9 | T262 I263 A268 H269 L270 | T262-D266 PolarHBondContact O-N 3.18Å; I263-D266 PolarHBondContact O-N 3.2Å; D266-A268 PolarHBondContact O-N 3.48Å; D266-H269 WeakPolarHBondContact O-CB 3.41Å; D266-H269 PolarHBondContact O-N 3.02Å; D266-L270 WeakPolarHBondContact O-CB 3.26Å; D266-L270 WeakPolarHBondContact O-CG 3.18Å; D266-L270 PolarHBondContact O-N 3.4Å |
| 267 | K | 91.1 | Very high | 91.9 | Very high | 132 Ų | 132 | 101 Ų | 101 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 174.6 | -175.6 | -179.9 | 177.7 | -178.7 | 0 | 111.6 | I263 I265 H269 L270 L271 | I263-K267 WeakPolarHBondContact O-CB 3.48Å; I263-K267 PolarHBondContact O-N 3.45Å; I265-K267 VanDerWaalsContact C-N 3.35Å; I265-K267 PolarHBondContact O-N 2.97Å; K267-H269 VanDerWaalsContact C-N 3.31Å; K267-L270 PolarHBondContact O-N 3.23Å; K267-L271 HydrophobicContact CG-CD1 4.34Å; K267-L271 WeakPolarHBondContact O-CB 3.44Å; K267-L271 WeakPolarHBondContact O-CG 3.44Å; K267-L271 PolarHBondContact O-N 3.45Å |
| 268 | A | 93.2 | Very high | 91.8 | Very high | 54 Ų | 54 | 99.5 Ų | 99.5 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N264 I265 D266 T272 | N264-A268 WeakPolarHBondContact O-CB 3.4Å; N264-A268 PolarHBondContact O-N 3.06Å; I265-A268 WeakPolarHBondContact O-CB 3.43Å; I265-A268 PolarHBondContact O-N 2.66Å; D266-A268 PolarHBondContact O-N 3.48Å; A268-T272 WeakPolarHBondContact O-CB 3.17Å; A268-T272 PolarHBondContact O-N 2.92Å; A268-T272 PolarHBondContact O-OG1 3.28Å |
| 269 | H | 92.1 | Very high | 91.7 | Very high | 108 Ų | 108 | 100 Ų | 100 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -48 | 177 | -170.5 | 62.2 | 0 | 0 | 0 | 111.9 | I265 D266 K267 L271 T272 Q273 | I265-H269 PolarHBondContact O-N 3.39Å; D266-H269 WeakPolarHBondContact O-CB 3.41Å; D266-H269 PolarHBondContact O-N 3.02Å; K267-H269 VanDerWaalsContact C-N 3.31Å; H269-L271 PolarHBondContact O-N 2.91Å; H269-T272 WeakPolarHBondContact O-CB 3.33Å; H269-T272 PolarHBondContact O-N 3.41Å; H269-T272 VanDerWaalsContact O-N 3.12Å; H269-Q273 PolarHBondContact CD2-NE2 3.31Å; H269-Q273 VanDerWaalsContact CD2-NE2 3.31Å; H269-Q273 PolarHBondContact NE2-NE2 3.11Å; H269-Q273 WeakPolarHBondContact O-CG 3.41Å; H269-Q273 PolarHBondContact O-N 3.46Å |
| 270 | L | 93.9 | Very high | 91.8 | Very high | 106 Ų | 106 | 95 Ų | 95 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 176.6 | -76.1 | 169.8 | 0 | 0 | 0 | 112.4 | D266 K267 T272 Q273 W274 | D266-L270 WeakPolarHBondContact O-CB 3.26Å; D266-L270 WeakPolarHBondContact O-CG 3.18Å; D266-L270 PolarHBondContact O-N 3.4Å; K267-L270 PolarHBondContact O-N 3.23Å; L270-T272 VanDerWaalsContact C-N 3.27Å; L270-T272 PolarHBondContact O-N 3.36Å; L270-Q273 PolarHBondContact O-N 2.82Å; L270-W274 VanDerWaalsContact O-CB 3.29Å; L270-W274 WeakPolarHBondContact O-CB 3.23Å; L270-W274 PolarHBondContact O-N 2.83Å |
| 271 | L | 93.3 | Very high | 91.7 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 173.9 | -80 | 169.1 | 0 | 0 | 0 | 112 | K267 H269 K275 | K267-L271 HydrophobicContact CG-CD1 4.34Å; K267-L271 WeakPolarHBondContact O-CB 3.44Å; K267-L271 WeakPolarHBondContact O-CG 3.44Å; K267-L271 PolarHBondContact O-N 3.45Å; H269-L271 PolarHBondContact O-N 2.91Å; L271-K275 WeakPolarHBondContact O-CB 3.28Å; L271-K275 WeakPolarHBondContact O-CG 3.36Å; L271-K275 PolarHBondContact O-N 3.12Å |
| 272 | T | 92.8 | Very high | 91.5 | Very high | 82 Ų | 82 | 94.4 Ų | 94.4 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.5 | -49.2 | 175.9 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | A268 H269 L270 W274 K275 T276 | A268-T272 WeakPolarHBondContact O-CB 3.17Å; A268-T272 PolarHBondContact O-N 2.92Å; A268-T272 PolarHBondContact O-OG1 3.28Å; H269-T272 WeakPolarHBondContact O-CB 3.33Å; H269-T272 PolarHBondContact O-N 3.41Å; H269-T272 VanDerWaalsContact O-N 3.12Å; L270-T272 VanDerWaalsContact C-N 3.27Å; L270-T272 PolarHBondContact O-N 3.36Å; T272-W274 VanDerWaalsContact C-N 3.3Å; T272-W274 PolarHBondContact O-N 2.85Å; T272-K275 PolarHBondContact O-N 3.41Å; T272-T276 PolarHBondContact O-N 3.35Å; T272-T276 PolarHBondContact O-OG1 2.92Å |
| 273 | Q | 92 | Very high | 91.4 | Very high | 97 Ų | 97 | 99.5 Ų | 99.5 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.6 | -43.1 | 175.4 | -70.4 | -174.2 | -1.1 | 0 | 0 | 111.8 | H269 L270 T276 S277 | H269-Q273 PolarHBondContact CD2-NE2 3.31Å; H269-Q273 VanDerWaalsContact CD2-NE2 3.31Å; H269-Q273 PolarHBondContact NE2-NE2 3.11Å; H269-Q273 WeakPolarHBondContact O-CG 3.41Å; H269-Q273 PolarHBondContact O-N 3.46Å; L270-Q273 PolarHBondContact O-N 2.82Å; Q273-T276 PolarHBondContact O-N 3.25Å; Q273-S277 WeakPolarHBondContact O-CB 3.44Å; Q273-S277 PolarHBondContact O-N 2.88Å |
| 274 | W | 92.3 | Very high | 91.4 | Very high | 148 Ų | 148 | 102.8 Ų | 102.8 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -47.4 | 177.2 | -179.8 | 67.6 | 0 | 0 | 0 | 111.5 | L270 T272 T276 S277 L278 | L270-W274 VanDerWaalsContact O-CB 3.29Å; L270-W274 WeakPolarHBondContact O-CB 3.23Å; L270-W274 PolarHBondContact O-N 2.83Å; T272-W274 VanDerWaalsContact C-N 3.3Å; T272-W274 PolarHBondContact O-N 2.85Å; W274-T276 VanDerWaalsContact C-N 3.33Å; W274-T276 PolarHBondContact O-N 2.94Å; W274-S277 PolarHBondContact O-N 2.82Å; W274-S277 VanDerWaalsContact O-N 3.16Å; W274-S277 PolarHBondContact O-OG 2.97Å; W274-L278 HydrophobicContact CZ2-CD1 4.09Å; W274-L278 PolarHBondContact O-N 2.78Å |
| 275 | K | 92.5 | Very high | 91.3 | Very high | 132 Ų | 132 | 102.6 Ų | 102.6 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.1 | -42.7 | 173.6 | -78.2 | 178.6 | 179.4 | -179.7 | 0 | 112.4 | L271 T272 S277 L278 L279 | L271-K275 WeakPolarHBondContact O-CB 3.28Å; L271-K275 WeakPolarHBondContact O-CG 3.36Å; L271-K275 PolarHBondContact O-N 3.12Å; T272-K275 PolarHBondContact O-N 3.41Å; K275-S277 VanDerWaalsContact C-N 3.35Å; K275-L278 PolarHBondContact O-N 3.31Å; K275-L279 WeakPolarHBondContact O-CG 3.47Å; K275-L279 PolarHBondContact O-N 2.98Å |
| 276 | T | 92.7 | Very high | 91.1 | Very high | 89 Ų | 89 | 102.4 Ų | 102.4 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 176.2 | -50.3 | 0 | 0 | 0 | 0 | 111.7 | T272 Q273 W274 L279 G280 | T272-T276 PolarHBondContact O-N 3.35Å; T272-T276 PolarHBondContact O-OG1 2.92Å; Q273-T276 PolarHBondContact O-N 3.25Å; W274-T276 VanDerWaalsContact C-N 3.33Å; W274-T276 PolarHBondContact O-N 2.94Å; T276-L279 PolarHBondContact O-N 2.97Å; T276-G280 PolarHBondContact O-N 3.48Å |
| 277 | S | 88.6 | Confident | 91 | Very high | 68 Ų | 68 | 100.9 Ų | 100.9 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.4 | 78.2 | 0 | 0 | 0 | 0 | 111.9 | Q273 W274 K275 G280 L281 | Q273-S277 WeakPolarHBondContact O-CB 3.44Å; Q273-S277 PolarHBondContact O-N 2.88Å; W274-S277 PolarHBondContact O-N 2.82Å; W274-S277 VanDerWaalsContact O-N 3.16Å; W274-S277 PolarHBondContact O-OG 2.97Å; K275-S277 VanDerWaalsContact C-N 3.35Å; S277-G280 PolarHBondContact O-N 3.16Å; S277-L281 PolarHBondContact O-N 3.4Å |
| 278 | L | 89.3 | Confident | 90.9 | Very high | 87 Ų | 87 | 102.1 Ų | 102.1 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 177.4 | -147.2 | 95.1 | 0 | 0 | 0 | 111 | W274 K275 G280 L281 Q282 | W274-L278 HydrophobicContact CZ2-CD1 4.09Å; W274-L278 PolarHBondContact O-N 2.78Å; K275-L278 PolarHBondContact O-N 3.31Å; L278-G280 VanDerWaalsContact C-N 3.3Å; L278-G280 PolarHBondContact O-N 2.97Å; L278-L281 WeakPolarHBondContact O-CB 3.5Å; L278-L281 PolarHBondContact O-N 3.39Å; L278-Q282 WeakPolarHBondContact O-CB 3.13Å; L278-Q282 PolarHBondContact O-N 3.39Å |
| 279 | L | 89.6 | Confident | 90.8 | Very high | 97 Ų | 97 | 102 Ų | 102 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 173.2 | -77 | 165.2 | 0 | 0 | 0 | 111.7 | K275 T276 L281 Q282 R283 | K275-L279 WeakPolarHBondContact O-CG 3.47Å; K275-L279 PolarHBondContact O-N 2.98Å; T276-L279 PolarHBondContact O-N 2.97Å; L279-L281 VanDerWaalsContact C-N 3.35Å; L279-Q282 PolarHBondContact O-N 3.12Å; L279-R283 WeakPolarHBondContact O-CG 3.16Å; L279-R283 PolarHBondContact O-N 2.83Å |
| 280 | G | 91.2 | Very high | 90.7 | Very high | 21 Ų | 21 | 102.5 Ų | 102.5 | 22% | 0.216 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | T276 S277 L278 R284 | T276-G280 PolarHBondContact O-N 3.48Å; S277-G280 PolarHBondContact O-N 3.16Å; L278-G280 VanDerWaalsContact C-N 3.3Å; L278-G280 PolarHBondContact O-N 2.97Å; G280-R284 WeakPolarHBondContact O-CG 3.28Å; G280-R284 PolarHBondContact O-N 2.98Å; G280-R284 VanDerWaalsContact O-N 3.16Å; G280-R284 PolarHBondContact O-NH1 3.38Å |
| 281 | L | 88.5 | Confident | 90.5 | Very high | 98 Ų | 98 | 103.4 Ų | 103.4 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.1 | -44 | 174.3 | -166.9 | 75.9 | 0 | 0 | 0 | 110.9 | S277 L278 L279 R283 R284 N285 | S277-L281 PolarHBondContact O-N 3.4Å; L278-L281 WeakPolarHBondContact O-CB 3.5Å; L278-L281 PolarHBondContact O-N 3.39Å; L279-L281 VanDerWaalsContact C-N 3.35Å; L281-R283 PolarHBondContact O-N 2.95Å; L281-R284 PolarHBondContact O-N 2.97Å; L281-N285 VanDerWaalsContact O-CG 3.29Å; L281-N285 PolarHBondContact O-N 2.77Å |
| 282 | Q | 88.9 | Confident | 90.4 | Very high | 103 Ų | 103 | 102.8 Ų | 102.8 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 177.3 | -171.4 | -179 | -15.5 | 0 | 0 | 111.6 | L278 L279 R284 N285 E286 | L278-Q282 WeakPolarHBondContact O-CB 3.13Å; L278-Q282 PolarHBondContact O-N 3.39Å; L279-Q282 PolarHBondContact O-N 3.12Å; Q282-R284 VanDerWaalsContact C-N 3.32Å; Q282-R284 PolarHBondContact O-N 3.46Å; Q282-N285 WeakPolarHBondContact O-CB 3.14Å; Q282-N285 PolarHBondContact O-N 3.27Å; Q282-N285 VanDerWaalsContact O-N 3.15Å; Q282-E286 PolarHBondContact NE2-OE1 2.8Å; Q282-E286 WeakPolarHBondContact O-CG 3.2Å; Q282-E286 PolarHBondContact O-N 2.82Å |
| 283 | R | 89.5 | Confident | 90.3 | Very high | 184 Ų | 184 | 101.3 Ų | 101.3 | 69% | 0.694 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -36.4 | 175.5 | -73.8 | 179.8 | 177.4 | 176 | -0.5 | 113.2 | L279 L281 A287 | L279-R283 WeakPolarHBondContact O-CG 3.16Å; L279-R283 PolarHBondContact O-N 2.83Å; L281-R283 PolarHBondContact O-N 2.95Å; R283-A287 WeakPolarHBondContact O-CB 3.47Å; R283-A287 PolarHBondContact O-N 3.11Å |
| 284 | R | 88.8 | Confident | 90.3 | Very high | 172 Ų | 172 | 99.1 Ų | 99.1 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.1 | -39 | 174.4 | -77.3 | -175.7 | -172.2 | 96.7 | -5.6 | 111.8 | G280 L281 Q282 A287 Y288 | G280-R284 WeakPolarHBondContact O-CG 3.28Å; G280-R284 PolarHBondContact O-N 2.98Å; G280-R284 VanDerWaalsContact O-N 3.16Å; G280-R284 PolarHBondContact O-NH1 3.38Å; L281-R284 PolarHBondContact O-N 2.97Å; Q282-R284 VanDerWaalsContact C-N 3.32Å; Q282-R284 PolarHBondContact O-N 3.46Å; R284-A287 PolarHBondContact O-N 3.29Å; R284-Y288 VanDerWaalsContact O-CB 3.28Å; R284-Y288 WeakPolarHBondContact O-CB 3.06Å; R284-Y288 PolarHBondContact O-N 3.45Å |
| 285 | N | 90.4 | Very high | 90.2 | Very high | 98 Ų | 98 | 98.5 Ų | 98.5 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 175.9 | -70.8 | -14.2 | 0 | 0 | 0 | 111.4 | L281 Q282 Y288 A289 | L281-N285 VanDerWaalsContact O-CG 3.29Å; L281-N285 PolarHBondContact O-N 2.77Å; Q282-N285 WeakPolarHBondContact O-CB 3.14Å; Q282-N285 PolarHBondContact O-N 3.27Å; Q282-N285 VanDerWaalsContact O-N 3.15Å; N285-Y288 PolarHBondContact O-N 2.94Å; N285-A289 WeakPolarHBondContact O-CB 3.5Å; N285-A289 PolarHBondContact O-N 3.38Å |
| 286 | E | 90.4 | Very high | 90.3 | Very high | 99 Ų | 99 | 95.7 Ų | 95.7 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 172.4 | -73.4 | 166.4 | -172.7 | 0 | 0 | 110.8 | Q282 Y288 A289 D290 | Q282-E286 PolarHBondContact NE2-OE1 2.8Å; Q282-E286 WeakPolarHBondContact O-CG 3.2Å; Q282-E286 PolarHBondContact O-N 2.82Å; E286-Y288 VanDerWaalsContact C-N 3.29Å; E286-Y288 PolarHBondContact O-N 2.77Å; E286-A289 WeakPolarHBondContact O-CB 3.38Å; E286-A289 PolarHBondContact O-N 3.09Å; E286-A289 VanDerWaalsContact O-N 3.13Å; E286-D290 PolarHBondContact O-N 3.44Å |
| 287 | A | 89.3 | Confident | 90.2 | Very high | 57 Ų | 57 | 97.9 Ų | 97.9 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R283 R284 L291 | R283-A287 WeakPolarHBondContact O-CB 3.47Å; R283-A287 PolarHBondContact O-N 3.11Å; R284-A287 PolarHBondContact O-N 3.29Å; A287-L291 VanDerWaalsContact O-CB 3.29Å; A287-L291 WeakPolarHBondContact O-CB 3.21Å; A287-L291 PolarHBondContact O-N 2.74Å |
| 288 | Y | 88.9 | Confident | 90.3 | Very high | 158 Ų | 158 | 99.3 Ų | 99.3 | 62% | 0.62 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67 | -41.8 | 175.1 | -179.5 | -94.5 | 0 | 0 | 0 | 111.7 | R284 N285 E286 L291 L292 | R284-Y288 VanDerWaalsContact O-CB 3.28Å; R284-Y288 WeakPolarHBondContact O-CB 3.06Å; R284-Y288 PolarHBondContact O-N 3.45Å; N285-Y288 PolarHBondContact O-N 2.94Å; E286-Y288 VanDerWaalsContact C-N 3.29Å; E286-Y288 PolarHBondContact O-N 2.77Å; Y288-L291 PolarHBondContact O-N 3.48Å; Y288-L292 HydrophobicContact CE1-CD2 4.36Å; Y288-L292 VanDerWaalsContact O-CB 3.25Å; Y288-L292 WeakPolarHBondContact O-CB 3.47Å; Y288-L292 PolarHBondContact O-N 3.27Å |
| 289 | A | 91.3 | Very high | 90.4 | Very high | 52 Ų | 52 | 101.1 Ų | 101.1 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N285 E286 L292 A293 | N285-A289 WeakPolarHBondContact O-CB 3.5Å; N285-A289 PolarHBondContact O-N 3.38Å; E286-A289 WeakPolarHBondContact O-CB 3.38Å; E286-A289 PolarHBondContact O-N 3.09Å; E286-A289 VanDerWaalsContact O-N 3.13Å; A289-L292 PolarHBondContact O-N 2.9Å; A289-A293 WeakPolarHBondContact O-CB 3.01Å; A289-A293 PolarHBondContact O-N 3.44Å |
| 290 | D | 91.2 | Very high | 90.4 | Very high | 118 Ų | 118 | 102.9 Ų | 102.9 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 175 | -72.4 | -19.8 | 0 | 0 | 0 | 111.8 | E286 A293 A294 | E286-D290 PolarHBondContact O-N 3.44Å; D290-A293 PolarHBondContact O-N 2.87Å; D290-A294 WeakPolarHBondContact O-CB 3.16Å; D290-A294 PolarHBondContact O-N 3.28Å |
| 291 | L | 89.7 | Confident | 90.5 | Very high | 124 Ų | 124 | 107.1 Ų | 107.1 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.3 | -38.7 | 178 | -152.1 | 161.1 | 0 | 0 | 0 | 111 | A287 Y288 A294 Y295 | A287-L291 VanDerWaalsContact O-CB 3.29Å; A287-L291 WeakPolarHBondContact O-CB 3.21Å; A287-L291 PolarHBondContact O-N 2.74Å; Y288-L291 PolarHBondContact O-N 3.48Å; L291-A294 PolarHBondContact O-N 3.35Å; L291-Y295 VanDerWaalsContact O-CB 3.31Å; L291-Y295 WeakPolarHBondContact O-CB 3.23Å; L291-Y295 PolarHBondContact O-N 2.77Å |
| 292 | L | 91.2 | Very high | 90.6 | Very high | 75 Ų | 75 | 107.5 Ų | 107.5 | 39% | 0.393 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.4 | -170.4 | 69.3 | 0 | 0 | 0 | 111.4 | Y288 A289 Y295 N296 | Y288-L292 HydrophobicContact CE1-CD2 4.36Å; Y288-L292 VanDerWaalsContact O-CB 3.25Å; Y288-L292 WeakPolarHBondContact O-CB 3.47Å; Y288-L292 PolarHBondContact O-N 3.27Å; A289-L292 PolarHBondContact O-N 2.9Å; L292-Y295 PolarHBondContact O-N 3.3Å; L292-N296 WeakPolarHBondContact O-CB 2.98Å; L292-N296 VanDerWaalsContact O-CG 3.25Å; L292-N296 PolarHBondContact O-N 3.41Å; L292-N296 PolarHBondContact O-ND2 2.79Å |
| 293 | A | 90.8 | Very high | 90.7 | Very high | 51 Ų | 51 | 107.4 Ų | 107.4 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A289 D290 N296 K297 | A289-A293 WeakPolarHBondContact O-CB 3.01Å; A289-A293 PolarHBondContact O-N 3.44Å; D290-A293 PolarHBondContact O-N 2.87Å; A293-N296 PolarHBondContact O-N 3.25Å; A293-K297 PolarHBondContact O-N 3.33Å |
| 294 | A | 91.1 | Very high | 90.9 | Very high | 50 Ų | 50 | 102.4 Ų | 102.4 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D290 L291 K297 L298 | D290-A294 WeakPolarHBondContact O-CB 3.16Å; D290-A294 PolarHBondContact O-N 3.28Å; L291-A294 PolarHBondContact O-N 3.35Å; A294-K297 PolarHBondContact O-N 2.74Å; A294-L298 PolarHBondContact O-N 2.89Å |
| 295 | Y | 90.7 | Very high | 90.9 | Very high | 135 Ų | 135 | 98.4 Ų | 98.4 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 174.2 | 173.6 | -98.4 | 0 | 0 | 0 | 111.5 | L291 L292 K297 L298 K299 | L291-Y295 VanDerWaalsContact O-CB 3.31Å; L291-Y295 WeakPolarHBondContact O-CB 3.23Å; L291-Y295 PolarHBondContact O-N 2.77Å; L292-Y295 PolarHBondContact O-N 3.3Å; Y295-K297 VanDerWaalsContact C-N 3.35Å; Y295-K297 PolarHBondContact O-N 3.22Å; Y295-L298 PolarHBondContact O-N 2.96Å; Y295-K299 HydrophobicContact CE1-CD 4.48Å; Y295-K299 WeakPolarHBondContact O-CB 3.48Å; Y295-K299 PolarHBondContact O-N 3.49Å |
| 296 | N | 93.2 | Very high | 91 | Very high | 74 Ų | 74 | 99.1 Ų | 99.1 | 40% | 0.396 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.9 | -71.6 | -27.6 | 0 | 0 | 0 | 111.6 | L292 A293 K299 E300 | L292-N296 WeakPolarHBondContact O-CB 2.98Å; L292-N296 VanDerWaalsContact O-CG 3.25Å; L292-N296 PolarHBondContact O-N 3.41Å; L292-N296 PolarHBondContact O-ND2 2.79Å; A293-N296 PolarHBondContact O-N 3.25Å; N296-K299 WeakPolarHBondContact O-CB 3.39Å; N296-K299 PolarHBondContact O-N 2.77Å; N296-E300 WeakPolarHBondContact O-CG 3.09Å; N296-E300 PolarHBondContact O-N 2.97Å |
| 297 | K | 92.4 | Very high | 91 | Very high | 134 Ų | 134 | 98.9 Ų | 98.9 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.5 | -48 | 172.3 | -78.1 | -177.6 | 177.3 | -178.4 | 0 | 112.4 | A293 A294 Y295 K299 E300 E301 | A293-K297 PolarHBondContact O-N 3.33Å; A294-K297 PolarHBondContact O-N 2.74Å; Y295-K297 VanDerWaalsContact C-N 3.35Å; Y295-K297 PolarHBondContact O-N 3.22Å; K297-K299 VanDerWaalsContact C-N 3.25Å; K297-K299 PolarHBondContact O-N 3.08Å; K297-E300 PolarHBondContact O-N 3.47Å; K297-E300 VanDerWaalsContact O-N 3.16Å; K297-E301 WeakPolarHBondContact O-CG 3.15Å; K297-E301 PolarHBondContact O-N 2.92Å |
| 298 | L | 89.7 | Confident | 91 | Very high | 98 Ų | 98 | 100.5 Ų | 100.5 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -36.4 | 176.2 | -84.3 | 165.2 | 0 | 0 | 0 | 112 | A294 Y295 E301 L302 | A294-L298 PolarHBondContact O-N 2.89Å; Y295-L298 PolarHBondContact O-N 2.96Å; L298-E301 PolarHBondContact O-N 3.18Å; L298-L302 WeakPolarHBondContact O-CB 3.02Å; L298-L302 WeakPolarHBondContact O-CG 3.23Å; L298-L302 PolarHBondContact O-N 2.96Å |
| 299 | K | 91.7 | Very high | 91 | Very high | 126 Ų | 126 | 98.3 Ų | 98.3 | 55% | 0.548 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 175.4 | -171.8 | -179.2 | 178.2 | -176 | 0 | 111.7 | Y295 N296 K297 L302 L303 | Y295-K299 HydrophobicContact CE1-CD 4.48Å; Y295-K299 WeakPolarHBondContact O-CB 3.48Å; Y295-K299 PolarHBondContact O-N 3.49Å; N296-K299 WeakPolarHBondContact O-CB 3.39Å; N296-K299 PolarHBondContact O-N 2.77Å; K297-K299 VanDerWaalsContact C-N 3.25Å; K297-K299 PolarHBondContact O-N 3.08Å; K299-L302 PolarHBondContact O-N 2.77Å; K299-L303 WeakPolarHBondContact O-CB 3.15Å; K299-L303 PolarHBondContact O-N 2.81Å |
| 300 | E | 90.4 | Very high | 91 | Very high | 133 Ų | 133 | 99.3 Ų | 99.3 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 173.1 | -72.7 | 175 | -179 | 0 | 0 | 111.5 | N296 K297 L303 V304 | N296-E300 WeakPolarHBondContact O-CG 3.09Å; N296-E300 PolarHBondContact O-N 2.97Å; K297-E300 PolarHBondContact O-N 3.47Å; K297-E300 VanDerWaalsContact O-N 3.16Å; E300-L303 WeakPolarHBondContact O-CB 3.49Å; E300-L303 PolarHBondContact O-N 2.85Å; E300-V304 WeakPolarHBondContact O-CG2 3.46Å; E300-V304 PolarHBondContact O-N 3.47Å |
| 301 | E | 91.7 | Very high | 90.9 | Very high | 110 Ų | 110 | 96.4 Ų | 96.4 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 174.8 | -73.4 | 173.4 | -171.3 | 0 | 0 | 112 | K297 L298 L303 V304 L305 | K297-E301 WeakPolarHBondContact O-CG 3.15Å; K297-E301 PolarHBondContact O-N 2.92Å; L298-E301 PolarHBondContact O-N 3.18Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.5Å; E301-V304 PolarHBondContact O-N 3.34Å; E301-L305 WeakPolarHBondContact O-CB 3.09Å; E301-L305 WeakPolarHBondContact O-CG 3.13Å; E301-L305 PolarHBondContact O-N 3.31Å |
| 302 | L | 90.7 | Very high | 90.9 | Very high | 106 Ų | 106 | 97.9 Ų | 97.9 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62 | -40.9 | 173.7 | -79.3 | 171.7 | 0 | 0 | 0 | 111.7 | L298 K299 V304 L305 E306 | L298-L302 WeakPolarHBondContact O-CB 3.02Å; L298-L302 WeakPolarHBondContact O-CG 3.23Å; L298-L302 PolarHBondContact O-N 2.96Å; K299-L302 PolarHBondContact O-N 2.77Å; L302-V304 VanDerWaalsContact C-N 3.34Å; L302-L305 PolarHBondContact O-N 3.22Å; L302-E306 WeakPolarHBondContact O-CB 3.15Å; L302-E306 WeakPolarHBondContact O-CG 3.2Å; L302-E306 PolarHBondContact O-N 2.76Å |
| 303 | L | 92.3 | Very high | 90.9 | Very high | 102 Ų | 102 | 99.8 Ų | 99.8 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.9 | -163.5 | 99.9 | 0 | 0 | 0 | 111.4 | K299 E300 E301 N307 | K299-L303 WeakPolarHBondContact O-CB 3.15Å; K299-L303 PolarHBondContact O-N 2.81Å; E300-L303 WeakPolarHBondContact O-CB 3.49Å; E300-L303 PolarHBondContact O-N 2.85Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.5Å; L303-N307 WeakPolarHBondContact O-CB 3.26Å; L303-N307 PolarHBondContact O-N 2.78Å; L303-N307 PolarHBondContact O-ND2 3.06Å |
| 304 | V | 92.2 | Very high | 90.9 | Very high | 78 Ų | 78 | 106.3 Ų | 106.3 | 47% | 0.473 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 174 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | E300 E301 L302 E306 N307 E308 | E300-V304 WeakPolarHBondContact O-CG2 3.46Å; E300-V304 PolarHBondContact O-N 3.47Å; E301-V304 PolarHBondContact O-N 3.34Å; L302-V304 VanDerWaalsContact C-N 3.34Å; V304-E306 PolarHBondContact O-N 3.27Å; V304-N307 CarbonylContact O-C 3.57Å; V304-N307 WeakPolarHBondContact O-CB 3.36Å; V304-N307 PolarHBondContact O-N 3.18Å; V304-E308 HydrophobicContact CG1-CG 4.48Å; V304-E308 WeakPolarHBondContact O-CG 3.34Å; V304-E308 PolarHBondContact O-N 3.39Å |
| 305 | L | 90.3 | Very high | 91 | Very high | 88 Ų | 88 | 107 Ų | 107 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 177.3 | -74.4 | 169.3 | 0 | 0 | 0 | 112.7 | E301 L302 E308 Q309 | E301-L305 WeakPolarHBondContact O-CB 3.09Å; E301-L305 WeakPolarHBondContact O-CG 3.13Å; E301-L305 PolarHBondContact O-N 3.31Å; L302-L305 PolarHBondContact O-N 3.22Å; L305-E308 PolarHBondContact O-N 2.9Å; L305-Q309 WeakPolarHBondContact O-CB 3.2Å; L305-Q309 WeakPolarHBondContact O-CG 3.27Å; L305-Q309 PolarHBondContact O-N 2.81Å |
| 306 | E | 92 | Very high | 90.9 | Very high | 113 Ų | 113 | 104.9 Ų | 104.9 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 173.2 | -81.5 | -176.7 | 170.2 | 0 | 0 | 111.2 | L302 V304 Q309 N310 | L302-E306 WeakPolarHBondContact O-CB 3.15Å; L302-E306 WeakPolarHBondContact O-CG 3.2Å; L302-E306 PolarHBondContact O-N 2.76Å; V304-E306 PolarHBondContact O-N 3.27Å; E306-Q309 PolarHBondContact O-N 2.79Å; E306-N310 WeakPolarHBondContact O-CB 3.38Å; E306-N310 PolarHBondContact O-N 2.82Å; E306-N310 PolarHBondContact O-ND2 3.35Å; E306-N310 VanDerWaalsContact O-ND2 3.1Å |
| 307 | N | 90 | Very high | 90.9 | Very high | 94 Ų | 94 | 105.4 Ų | 105.4 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 174.9 | -73.6 | -34.8 | 0 | 0 | 0 | 111.7 | L303 V304 N310 A311 | L303-N307 WeakPolarHBondContact O-CB 3.26Å; L303-N307 PolarHBondContact O-N 2.78Å; L303-N307 PolarHBondContact O-ND2 3.06Å; V304-N307 CarbonylContact O-C 3.57Å; V304-N307 WeakPolarHBondContact O-CB 3.36Å; V304-N307 PolarHBondContact O-N 3.18Å; N307-N310 PolarHBondContact O-N 3.39Å; N307-A311 WeakPolarHBondContact O-CB 3.43Å; N307-A311 PolarHBondContact O-N 3.33Å |
| 308 | E | 90.2 | Very high | 90.9 | Very high | 91 Ų | 91 | 105.8 Ų | 105.8 | 43% | 0.425 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 172.8 | -74.1 | 178.8 | 178.8 | 0 | 0 | 111.5 | V304 L305 N310 A311 Y312 | V304-E308 HydrophobicContact CG1-CG 4.48Å; V304-E308 WeakPolarHBondContact O-CG 3.34Å; V304-E308 PolarHBondContact O-N 3.39Å; L305-E308 PolarHBondContact O-N 2.9Å; E308-N310 VanDerWaalsContact C-N 3.29Å; E308-N310 PolarHBondContact O-N 2.96Å; E308-A311 CarbonylContact O-C 3.6Å; E308-A311 WeakPolarHBondContact O-CB 3.32Å; E308-A311 PolarHBondContact O-N 2.81Å; E308-A311 VanDerWaalsContact O-N 3.12Å; E308-Y312 HydrophobicContact CB-CD2 4.42Å; E308-Y312 HydrophobicContact CB-CE2 4.31Å; E308-Y312 WeakPolarHBondContact O-CD2 3.39Å; E308-Y312 PolarHBondContact O-N 3.34Å |
| 309 | Q | 87.3 | Confident | 90.9 | Very high | 113 Ų | 113 | 107.1 Ų | 107.1 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59 | -41.1 | 174.7 | -79.1 | -175.3 | 12.4 | 0 | 0 | 111.8 | L305 E306 Y312 K313 | L305-Q309 WeakPolarHBondContact O-CB 3.2Å; L305-Q309 WeakPolarHBondContact O-CG 3.27Å; L305-Q309 PolarHBondContact O-N 2.81Å; E306-Q309 PolarHBondContact O-N 2.79Å; Q309-Y312 PolarHBondContact O-N 3.23Å; Q309-K313 WeakPolarHBondContact O-CB 3.49Å; Q309-K313 VanDerWaalsContact O-CG 3.31Å; Q309-K313 WeakPolarHBondContact O-CG 3.47Å; Q309-K313 PolarHBondContact O-N 3.47Å |
| 310 | N | 91.6 | Very high | 90.8 | Very high | 72 Ų | 72 | 106.2 Ų | 106.2 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 175.8 | -72.8 | -33 | 0 | 0 | 0 | 111.7 | E306 N307 E308 K313 R314 | E306-N310 WeakPolarHBondContact O-CB 3.38Å; E306-N310 PolarHBondContact O-N 2.82Å; E306-N310 PolarHBondContact O-ND2 3.35Å; E306-N310 VanDerWaalsContact O-ND2 3.1Å; N307-N310 PolarHBondContact O-N 3.39Å; E308-N310 VanDerWaalsContact C-N 3.29Å; E308-N310 PolarHBondContact O-N 2.96Å; N310-K313 PolarHBondContact O-N 2.68Å; N310-R314 WeakPolarHBondContact O-CG 3.12Å; N310-R314 PolarHBondContact O-N 2.83Å |
| 311 | A | 90.1 | Very high | 90.8 | Very high | 58 Ų | 58 | 105.3 Ų | 105.3 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N307 E308 R314 S315 | N307-A311 WeakPolarHBondContact O-CB 3.43Å; N307-A311 PolarHBondContact O-N 3.33Å; E308-A311 CarbonylContact O-C 3.6Å; E308-A311 WeakPolarHBondContact O-CB 3.32Å; E308-A311 PolarHBondContact O-N 2.81Å; E308-A311 VanDerWaalsContact O-N 3.12Å; A311-R314 PolarHBondContact O-N 3.39Å; A311-S315 PolarHBondContact O-N 3.4Å |
| 312 | Y | 89.9 | Confident | 90.7 | Very high | 154 Ų | 154 | 102.5 Ų | 102.5 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 174.4 | -75.8 | -58.4 | 0 | 0 | 0 | 112 | E308 Q309 R314 S315 I316 | E308-Y312 HydrophobicContact CB-CD2 4.42Å; E308-Y312 HydrophobicContact CB-CE2 4.31Å; E308-Y312 WeakPolarHBondContact O-CD2 3.39Å; E308-Y312 PolarHBondContact O-N 3.34Å; Q309-Y312 PolarHBondContact O-N 3.23Å; Y312-R314 VanDerWaalsContact C-N 3.33Å; Y312-R314 PolarHBondContact O-N 3.31Å; Y312-S315 CarbonylContact O-C 3.59Å; Y312-S315 WeakPolarHBondContact O-CB 3.37Å; Y312-S315 PolarHBondContact O-N 2.88Å; Y312-S315 VanDerWaalsContact O-N 3.12Å; Y312-I316 WeakPolarHBondContact O-CB 3.31Å; Y312-I316 VanDerWaalsContact O-CG1 3.25Å; Y312-I316 WeakPolarHBondContact O-CG1 3.48Å; Y312-I316 PolarHBondContact O-N 2.6Å |
| 313 | K | 91.4 | Very high | 90.6 | Very high | 116 Ų | 116 | 103.2 Ų | 103.2 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 173.3 | -77.6 | 173.7 | -176.5 | 171.5 | 0 | 111.6 | Q309 N310 S315 I316 N317 | Q309-K313 WeakPolarHBondContact O-CB 3.49Å; Q309-K313 VanDerWaalsContact O-CG 3.31Å; Q309-K313 WeakPolarHBondContact O-CG 3.47Å; Q309-K313 PolarHBondContact O-N 3.47Å; N310-K313 PolarHBondContact O-N 2.68Å; K313-S315 VanDerWaalsContact C-N 3.31Å; K313-S315 PolarHBondContact O-N 2.78Å; K313-I316 PolarHBondContact O-N 3.25Å; K313-N317 WeakPolarHBondContact O-CB 3.48Å; K313-N317 VanDerWaalsContact O-CG 3.32Å; K313-N317 PolarHBondContact O-N 2.78Å; K313-N317 PolarHBondContact O-OD1 3.35Å |
| 314 | R | 91.2 | Very high | 90.5 | Very high | 187 Ų | 187 | 105.1 Ų | 105.1 | 71% | 0.706 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -39.6 | 174.7 | -70.7 | 175.2 | -173.2 | -161.8 | 3 | 111.7 | N310 A311 Y312 K318 | N310-R314 WeakPolarHBondContact O-CG 3.12Å; N310-R314 PolarHBondContact O-N 2.83Å; A311-R314 PolarHBondContact O-N 3.39Å; Y312-R314 VanDerWaalsContact C-N 3.33Å; Y312-R314 PolarHBondContact O-N 3.31Å; R314-K318 WeakPolarHBondContact O-CG 3.42Å; R314-K318 PolarHBondContact O-N 3.09Å |
| 315 | S | 91.9 | Very high | 90.5 | Very high | 64 Ų | 64 | 108 Ų | 108 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 175.8 | -164.5 | 0 | 0 | 0 | 0 | 112.1 | A311 Y312 K313 K318 E319 | A311-S315 PolarHBondContact O-N 3.4Å; Y312-S315 CarbonylContact O-C 3.59Å; Y312-S315 WeakPolarHBondContact O-CB 3.37Å; Y312-S315 PolarHBondContact O-N 2.88Å; Y312-S315 VanDerWaalsContact O-N 3.12Å; K313-S315 VanDerWaalsContact C-N 3.31Å; K313-S315 PolarHBondContact O-N 2.78Å; S315-K318 PolarHBondContact O-N 2.76Å; S315-E319 PolarHBondContact O-N 2.8Å |
| 316 | I | 89.9 | Confident | 90.5 | Very high | 91 Ų | 91 | 109.1 Ų | 109.1 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.7 | -70.8 | 164.2 | 0 | 0 | 0 | 109.9 | Y312 K313 K318 E319 Q320 | Y312-I316 WeakPolarHBondContact O-CB 3.31Å; Y312-I316 VanDerWaalsContact O-CG1 3.25Å; Y312-I316 WeakPolarHBondContact O-CG1 3.48Å; Y312-I316 PolarHBondContact O-N 2.6Å; K313-I316 PolarHBondContact O-N 3.25Å; I316-K318 VanDerWaalsContact C-N 3.32Å; I316-K318 PolarHBondContact O-N 2.74Å; I316-E319 CarbonylContact O-C 3.54Å; I316-E319 PolarHBondContact O-N 3.17Å; I316-E319 VanDerWaalsContact O-N 3.14Å; I316-Q320 HydrophobicContact CG2-CG 4.29Å; I316-Q320 WeakPolarHBondContact O-CB 3.31Å; I316-Q320 WeakPolarHBondContact O-CG 3.3Å; I316-Q320 PolarHBondContact O-N 2.7Å |
| 317 | N | 92.7 | Very high | 90.5 | Very high | 85 Ų | 85 | 105.9 Ų | 105.9 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.7 | -73 | 4.6 | 0 | 0 | 0 | 111.3 | K313 E319 Q320 E321 | K313-N317 WeakPolarHBondContact O-CB 3.48Å; K313-N317 VanDerWaalsContact O-CG 3.32Å; K313-N317 PolarHBondContact O-N 2.78Å; K313-N317 PolarHBondContact O-OD1 3.35Å; N317-E319 VanDerWaalsContact C-N 3.34Å; N317-E319 PolarHBondContact O-N 2.89Å; N317-Q320 WeakPolarHBondContact O-CB 3.49Å; N317-Q320 PolarHBondContact O-N 2.83Å; N317-E321 WeakPolarHBondContact O-CG 3.47Å; N317-E321 PolarHBondContact O-N 2.88Å |
| 318 | K | 91.7 | Very high | 90.5 | Very high | 143 Ų | 143 | 103.3 Ų | 103.3 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -42.1 | 173.5 | -75.8 | -180 | 178.7 | -175.4 | 0 | 112.1 | R314 S315 I316 Q320 E321 T322 | R314-K318 WeakPolarHBondContact O-CG 3.42Å; R314-K318 PolarHBondContact O-N 3.09Å; S315-K318 PolarHBondContact O-N 2.76Å; I316-K318 VanDerWaalsContact C-N 3.32Å; I316-K318 PolarHBondContact O-N 2.74Å; K318-Q320 VanDerWaalsContact C-N 3.32Å; K318-E321 PolarHBondContact O-N 3.22Å; K318-T322 WeakPolarHBondContact O-CG2 3.38Å; K318-T322 PolarHBondContact O-N 3.43Å; K318-T322 PolarHBondContact O-OG1 3.41Å |
| 319 | E | 89.6 | Confident | 90.5 | Very high | 125 Ų | 125 | 103.8 Ų | 103.8 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.9 | -28.8 | 175.3 | -75.9 | -60 | 156.6 | 0 | 0 | 113.2 | S315 I316 N317 T322 H323 | S315-E319 PolarHBondContact O-N 2.8Å; I316-E319 CarbonylContact O-C 3.54Å; I316-E319 PolarHBondContact O-N 3.17Å; I316-E319 VanDerWaalsContact O-N 3.14Å; N317-E319 VanDerWaalsContact C-N 3.34Å; N317-E319 PolarHBondContact O-N 2.89Å; E319-T322 VanDerWaalsContact CA-OG1 3.26Å; E319-T322 WeakPolarHBondContact CA-OG1 3.41Å; E319-T322 PolarHBondContact O-OG1 2.9Å; E319-T322 PolarHBondContact OE2-OG1 2.88Å; E319-H323 WeakPolarHBondContact O-CB 3.49Å; E319-H323 PolarHBondContact O-N 3.19Å |
| 320 | Q | 89.3 | Confident | 90.7 | Very high | 108 Ų | 108 | 104.1 Ų | 104.1 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71 | -42.5 | 171.9 | -75.1 | 176.3 | -12.5 | 0 | 0 | 110.9 | I316 N317 K318 T322 H323 E324 | I316-Q320 HydrophobicContact CG2-CG 4.29Å; I316-Q320 WeakPolarHBondContact O-CB 3.31Å; I316-Q320 WeakPolarHBondContact O-CG 3.3Å; I316-Q320 PolarHBondContact O-N 2.7Å; N317-Q320 WeakPolarHBondContact O-CB 3.49Å; N317-Q320 PolarHBondContact O-N 2.83Å; K318-Q320 VanDerWaalsContact C-N 3.32Å; Q320-T322 PolarHBondContact O-N 2.9Å; Q320-H323 PolarHBondContact O-N 3.49Å; Q320-E324 WeakPolarHBondContact O-CB 3.37Å; Q320-E324 WeakPolarHBondContact O-CG 3.38Å; Q320-E324 PolarHBondContact O-N 3.5Å |
| 321 | E | 90 | Very high | 90.7 | Very high | 113 Ų | 113 | 105 Ų | 105 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 173.8 | -72.8 | 171 | -170.2 | 0 | 0 | 111.3 | N317 K318 E324 Q325 | N317-E321 WeakPolarHBondContact O-CG 3.47Å; N317-E321 PolarHBondContact O-N 2.88Å; K318-E321 PolarHBondContact O-N 3.22Å; E321-E324 PolarHBondContact O-N 3.09Å; E321-Q325 VanDerWaalsContact O-CG 3.25Å; E321-Q325 WeakPolarHBondContact O-CG 3.34Å; E321-Q325 PolarHBondContact O-N 2.68Å |
| 322 | T | 90.4 | Very high | 90.7 | Very high | 52 Ų | 52 | 108.3 Ų | 108.3 | 32% | 0.319 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 174.8 | 58 | 0 | 0 | 0 | 0 | 111.4 | K318 E319 Q320 Q325 L326 | K318-T322 WeakPolarHBondContact O-CG2 3.38Å; K318-T322 PolarHBondContact O-N 3.43Å; K318-T322 PolarHBondContact O-OG1 3.41Å; E319-T322 VanDerWaalsContact CA-OG1 3.26Å; E319-T322 WeakPolarHBondContact CA-OG1 3.41Å; E319-T322 PolarHBondContact O-OG1 2.9Å; E319-T322 PolarHBondContact OE2-OG1 2.88Å; Q320-T322 PolarHBondContact O-N 2.9Å; T322-Q325 PolarHBondContact O-N 3.25Å; T322-L326 WeakPolarHBondContact O-CB 3.25Å; T322-L326 WeakPolarHBondContact O-CG 3.36Å; T322-L326 PolarHBondContact O-N 2.93Å |
| 323 | H | 89.3 | Confident | 90.7 | Very high | 120 Ų | 120 | 104.8 Ų | 104.8 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 175.7 | -179.1 | -80.6 | 0 | 0 | 0 | 112.2 | E319 Q320 L326 T327 | E319-H323 WeakPolarHBondContact O-CB 3.49Å; E319-H323 PolarHBondContact O-N 3.19Å; Q320-H323 PolarHBondContact O-N 3.49Å; H323-L326 PolarHBondContact O-N 3.46Å; H323-T327 PolarHBondContact CE1-OG1 3.29Å; H323-T327 PolarHBondContact ND1-OG1 2.88Å; H323-T327 VanDerWaalsContact O-CB 3.25Å; H323-T327 WeakPolarHBondContact O-CB 3.41Å; H323-T327 PolarHBondContact O-N 2.84Å; H323-T327 PolarHBondContact O-OG1 3.39Å |
| 324 | E | 89.9 | Confident | 90.7 | Very high | 143 Ų | 143 | 104 Ų | 104 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 174.9 | -77.5 | -176.1 | 178 | 0 | 0 | 111.4 | Q320 E321 T327 G328 | Q320-E324 WeakPolarHBondContact O-CB 3.37Å; Q320-E324 WeakPolarHBondContact O-CG 3.38Å; Q320-E324 PolarHBondContact O-N 3.5Å; E321-E324 PolarHBondContact O-N 3.09Å; E324-T327 PolarHBondContact O-N 3.38Å; E324-G328 PolarHBondContact O-N 3.04Å |
| 325 | Q | 91.2 | Very high | 90.6 | Very high | 138 Ų | 138 | 97.9 Ų | 97.9 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 174.2 | -71.8 | 171.9 | 17.7 | 0 | 0 | 111.9 | E321 T322 G328 L329 | E321-Q325 VanDerWaalsContact O-CG 3.25Å; E321-Q325 WeakPolarHBondContact O-CG 3.34Å; E321-Q325 PolarHBondContact O-N 2.68Å; T322-Q325 PolarHBondContact O-N 3.25Å; Q325-G328 PolarHBondContact O-N 2.9Å; Q325-L329 PolarHBondContact O-N 3.35Å |
| 326 | L | 91.2 | Very high | 90.6 | Very high | 112 Ų | 112 | 98.3 Ų | 98.3 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.7 | -40.1 | 177.1 | -74.5 | 172.2 | 0 | 0 | 0 | 112.1 | T322 H323 L329 Q330 | T322-L326 WeakPolarHBondContact O-CB 3.25Å; T322-L326 WeakPolarHBondContact O-CG 3.36Å; T322-L326 PolarHBondContact O-N 2.93Å; H323-L326 PolarHBondContact O-N 3.46Å; L326-L329 WeakPolarHBondContact O-CB 3.36Å; L326-L329 PolarHBondContact O-N 2.83Å; L326-Q330 WeakPolarHBondContact O-CB 3.39Å; L326-Q330 PolarHBondContact O-N 2.8Å |
| 327 | T | 91.4 | Very high | 90.5 | Very high | 45 Ų | 45 | 98.5 Ų | 98.5 | 28% | 0.276 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | H323 E324 L329 Q330 N331 | H323-T327 PolarHBondContact CE1-OG1 3.29Å; H323-T327 PolarHBondContact ND1-OG1 2.88Å; H323-T327 VanDerWaalsContact O-CB 3.25Å; H323-T327 WeakPolarHBondContact O-CB 3.41Å; H323-T327 PolarHBondContact O-N 2.84Å; H323-T327 PolarHBondContact O-OG1 3.39Å; E324-T327 PolarHBondContact O-N 3.38Å; T327-L329 VanDerWaalsContact C-N 3.33Å; T327-L329 PolarHBondContact O-N 2.91Å; T327-Q330 PolarHBondContact O-N 2.86Å; T327-N331 WeakPolarHBondContact O-CB 3.46Å; T327-N331 VanDerWaalsContact O-CG 3.25Å; T327-N331 PolarHBondContact O-N 2.87Å; T327-N331 PolarHBondContact O-ND2 2.86Å |
| 328 | G | 90.5 | Very high | 90.5 | Very high | 40 Ų | 40 | 97.6 Ų | 97.6 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E324 Q325 K332 | E324-G328 PolarHBondContact O-N 3.04Å; Q325-G328 PolarHBondContact O-N 2.9Å; G328-K332 WeakPolarHBondContact O-CB 3.25Å; G328-K332 PolarHBondContact O-N 2.94Å |
| 329 | L | 90.9 | Very high | 90.4 | Very high | 100 Ų | 100 | 94.1 Ų | 94.1 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 175.1 | -162.5 | 92 | 0 | 0 | 0 | 111.9 | Q325 L326 T327 K332 N333 | Q325-L329 PolarHBondContact O-N 3.35Å; L326-L329 WeakPolarHBondContact O-CB 3.36Å; L326-L329 PolarHBondContact O-N 2.83Å; T327-L329 VanDerWaalsContact C-N 3.33Å; T327-L329 PolarHBondContact O-N 2.91Å; L329-K332 PolarHBondContact O-N 2.72Å; L329-N333 WeakPolarHBondContact O-CB 3.22Å; L329-N333 VanDerWaalsContact O-CG 3.25Å; L329-N333 PolarHBondContact O-N 2.88Å; L329-N333 PolarHBondContact O-ND2 3.4Å |
| 330 | Q | 89.8 | Confident | 90.5 | Very high | 121 Ų | 121 | 92.9 Ų | 92.9 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.3 | -48.5 | 177.4 | 179.6 | 178.6 | -29.7 | 0 | 0 | 111 | L326 T327 K332 N333 E334 | L326-Q330 WeakPolarHBondContact O-CB 3.39Å; L326-Q330 PolarHBondContact O-N 2.8Å; T327-Q330 PolarHBondContact O-N 2.86Å; Q330-K332 VanDerWaalsContact C-N 3.28Å; Q330-K332 PolarHBondContact O-N 3.25Å; Q330-N333 CarbonylContact O-C 3.54Å; Q330-N333 PolarHBondContact O-N 3.42Å; Q330-E334 WeakPolarHBondContact O-CB 3.38Å; Q330-E334 PolarHBondContact O-N 3.37Å |
| 331 | N | 91.8 | Very high | 90.6 | Very high | 91 Ų | 91 | 95.7 Ų | 95.7 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -40.5 | 177.6 | -71.5 | -20.3 | 0 | 0 | 0 | 111.4 | T327 E334 S335 | T327-N331 WeakPolarHBondContact O-CB 3.46Å; T327-N331 VanDerWaalsContact O-CG 3.25Å; T327-N331 PolarHBondContact O-N 2.87Å; T327-N331 PolarHBondContact O-ND2 2.86Å; N331-E334 PolarHBondContact O-N 2.95Å; N331-S335 WeakPolarHBondContact O-CB 3.4Å; N331-S335 PolarHBondContact O-N 2.78Å; N331-S335 PolarHBondContact O-OG 3.12Å |
| 332 | K | 91.5 | Very high | 90.6 | Very high | 127 Ų | 127 | 97.8 Ų | 97.8 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -50.7 | 174 | -171.3 | -178.4 | 176.9 | -177.1 | 0 | 111.2 | G328 L329 Q330 E334 S335 D336 | G328-K332 WeakPolarHBondContact O-CB 3.25Å; G328-K332 PolarHBondContact O-N 2.94Å; L329-K332 PolarHBondContact O-N 2.72Å; Q330-K332 VanDerWaalsContact C-N 3.28Å; Q330-K332 PolarHBondContact O-N 3.25Å; K332-E334 VanDerWaalsContact C-N 3.28Å; K332-E334 PolarHBondContact O-N 2.85Å; K332-S335 PolarHBondContact O-N 2.76Å; K332-S335 VanDerWaalsContact O-N 3.16Å; K332-S335 PolarHBondContact O-OG 2.87Å; K332-D336 VanDerWaalsContact O-CG 3.31Å; K332-D336 PolarHBondContact O-N 3.23Å |
| 333 | N | 90.1 | Very high | 90.7 | Very high | 80 Ų | 80 | 100.9 Ų | 100.9 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 177.4 | -73.1 | -21.4 | 0 | 0 | 0 | 112.5 | L329 Q330 D336 L337 | L329-N333 WeakPolarHBondContact O-CB 3.22Å; L329-N333 VanDerWaalsContact O-CG 3.25Å; L329-N333 PolarHBondContact O-N 2.88Å; L329-N333 PolarHBondContact O-ND2 3.4Å; Q330-N333 CarbonylContact O-C 3.54Å; Q330-N333 PolarHBondContact O-N 3.42Å; N333-D336 PolarHBondContact O-N 2.84Å; N333-L337 VanDerWaalsContact O-CB 3.29Å; N333-L337 WeakPolarHBondContact O-CB 3.24Å; N333-L337 WeakPolarHBondContact O-CG 3.31Å; N333-L337 PolarHBondContact O-N 2.75Å |
| 334 | E | 90.5 | Very high | 90.7 | Very high | 98 Ų | 98 | 100.1 Ų | 100.1 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71 | -39 | 177.1 | -169 | 169.2 | -165.7 | 0 | 0 | 111.4 | Q330 N331 K332 L337 N338 | Q330-E334 WeakPolarHBondContact O-CB 3.38Å; Q330-E334 PolarHBondContact O-N 3.37Å; N331-E334 PolarHBondContact O-N 2.95Å; K332-E334 VanDerWaalsContact C-N 3.28Å; K332-E334 PolarHBondContact O-N 2.85Å; E334-L337 PolarHBondContact O-N 3.25Å; E334-N338 VanDerWaalsContact O-CB 3.31Å; E334-N338 WeakPolarHBondContact O-CB 3.43Å; E334-N338 PolarHBondContact O-N 2.75Å; E334-N338 PolarHBondContact O-ND2 3.2Å |
| 335 | S | 89.7 | Confident | 90.8 | Very high | 59 Ų | 59 | 98.3 Ų | 98.3 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 171.2 | 78.2 | 0 | 0 | 0 | 0 | 111.7 | N331 K332 N338 T339 | N331-S335 WeakPolarHBondContact O-CB 3.4Å; N331-S335 PolarHBondContact O-N 2.78Å; N331-S335 PolarHBondContact O-OG 3.12Å; K332-S335 PolarHBondContact O-N 2.76Å; K332-S335 VanDerWaalsContact O-N 3.16Å; K332-S335 PolarHBondContact O-OG 2.87Å; S335-N338 PolarHBondContact O-N 2.99Å; S335-T339 WeakPolarHBondContact O-CB 3.36Å; S335-T339 PolarHBondContact O-N 3.36Å; S335-T339 PolarHBondContact O-OG1 3.08Å |
| 336 | D | 91.4 | Very high | 90.7 | Very high | 74 Ų | 74 | 96.9 Ų | 96.9 | 40% | 0.396 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 176.6 | -70.1 | -22.1 | 0 | 0 | 0 | 110.7 | K332 N333 N338 T339 L340 | K332-D336 VanDerWaalsContact O-CG 3.31Å; K332-D336 PolarHBondContact O-N 3.23Å; N333-D336 PolarHBondContact O-N 2.84Å; D336-N338 PolarHBondContact O-N 3.03Å; D336-T339 WeakPolarHBondContact O-CB 3.49Å; D336-T339 PolarHBondContact O-N 3.38Å; D336-L340 WeakPolarHBondContact O-CB 3.23Å; D336-L340 WeakPolarHBondContact O-CG 3.36Å; D336-L340 PolarHBondContact O-N 2.94Å |
| 337 | L | 88.4 | Confident | 90.6 | Very high | 94 Ų | 94 | 95.2 Ų | 95.2 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 174 | -86.4 | 171.1 | 0 | 0 | 0 | 112.3 | N333 E334 T339 L340 R341 | N333-L337 VanDerWaalsContact O-CB 3.29Å; N333-L337 WeakPolarHBondContact O-CB 3.24Å; N333-L337 WeakPolarHBondContact O-CG 3.31Å; N333-L337 PolarHBondContact O-N 2.75Å; E334-L337 PolarHBondContact O-N 3.25Å; L337-T339 VanDerWaalsContact C-N 3.31Å; L337-L340 PolarHBondContact O-N 2.79Å; L337-R341 WeakPolarHBondContact O-CB 3.49Å; L337-R341 VanDerWaalsContact O-CG 3.28Å; L337-R341 WeakPolarHBondContact O-CG 3.37Å; L337-R341 PolarHBondContact O-N 3.06Å |
| 338 | N | 91.9 | Very high | 90.5 | Very high | 66 Ų | 66 | 98.2 Ų | 98.2 | 35% | 0.353 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 176.4 | -76.9 | -29.6 | 0 | 0 | 0 | 111.5 | E334 S335 D336 R341 K342 | E334-N338 VanDerWaalsContact O-CB 3.31Å; E334-N338 WeakPolarHBondContact O-CB 3.43Å; E334-N338 PolarHBondContact O-N 2.75Å; E334-N338 PolarHBondContact O-ND2 3.2Å; S335-N338 PolarHBondContact O-N 2.99Å; D336-N338 PolarHBondContact O-N 3.03Å; N338-R341 PolarHBondContact O-N 3.18Å; N338-K342 WeakPolarHBondContact O-CG 3.47Å; N338-K342 PolarHBondContact O-N 3.14Å |
| 339 | T | 90.5 | Very high | 90.5 | Very high | 70 Ų | 70 | 100.1 Ų | 100.1 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 175.1 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | S335 D336 L337 K342 Q343 | S335-T339 WeakPolarHBondContact O-CB 3.36Å; S335-T339 PolarHBondContact O-N 3.36Å; S335-T339 PolarHBondContact O-OG1 3.08Å; D336-T339 WeakPolarHBondContact O-CB 3.49Å; D336-T339 PolarHBondContact O-N 3.38Å; L337-T339 VanDerWaalsContact C-N 3.31Å; T339-K342 PolarHBondContact O-N 3.42Å; T339-Q343 WeakPolarHBondContact O-CG 3.44Å; T339-Q343 PolarHBondContact O-N 2.83Å |
| 340 | L | 90.2 | Very high | 90.5 | Very high | 100 Ų | 100 | 100.9 Ų | 100.9 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 174.6 | -74.2 | 169.9 | 0 | 0 | 0 | 112 | D336 L337 K342 Q343 L344 | D336-L340 WeakPolarHBondContact O-CB 3.23Å; D336-L340 WeakPolarHBondContact O-CG 3.36Å; D336-L340 PolarHBondContact O-N 2.94Å; L337-L340 PolarHBondContact O-N 2.79Å; L340-K342 PolarHBondContact O-N 2.84Å; L340-Q343 PolarHBondContact O-N 3.45Å; L340-L344 VanDerWaalsContact O-CB 3.29Å; L340-L344 WeakPolarHBondContact O-CB 3.28Å; L340-L344 PolarHBondContact O-N 3.25Å |
| 341 | R | 91.8 | Very high | 90.5 | Very high | 166 Ų | 166 | 99.7 Ų | 99.7 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -43.3 | 174.4 | -79.5 | 174.5 | 177.4 | 166.9 | -1.4 | 111.8 | L337 N338 L344 L345 | L337-R341 WeakPolarHBondContact O-CB 3.49Å; L337-R341 VanDerWaalsContact O-CG 3.28Å; L337-R341 WeakPolarHBondContact O-CG 3.37Å; L337-R341 PolarHBondContact O-N 3.06Å; N338-R341 PolarHBondContact O-N 3.18Å; R341-L344 PolarHBondContact O-N 3.35Å; R341-L345 WeakPolarHBondContact O-CB 3.33Å; R341-L345 PolarHBondContact O-N 2.86Å |
| 342 | K | 91 | Very high | 90.4 | Very high | 157 Ų | 157 | 99.8 Ų | 99.8 | 68% | 0.683 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 174.9 | -73.9 | 174.8 | -178 | 178.4 | 0 | 111.5 | N338 T339 L340 L344 H346 | N338-K342 WeakPolarHBondContact O-CG 3.47Å; N338-K342 PolarHBondContact O-N 3.14Å; T339-K342 PolarHBondContact O-N 3.42Å; L340-K342 PolarHBondContact O-N 2.84Å; K342-L344 VanDerWaalsContact C-N 3.34Å; K342-H346 WeakPolarHBondContact O-CB 3.44Å; K342-H346 PolarHBondContact O-N 3.21Å |
| 343 | Q | 91.9 | Very high | 90.3 | Very high | 118 Ų | 118 | 96.3 Ų | 96.3 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 176 | -72.1 | 176.9 | -1.1 | 0 | 0 | 112.1 | T339 L340 H346 S347 | T339-Q343 WeakPolarHBondContact O-CG 3.44Å; T339-Q343 PolarHBondContact O-N 2.83Å; L340-Q343 PolarHBondContact O-N 3.45Å; Q343-H346 WeakPolarHBondContact O-CB 3.37Å; Q343-H346 PolarHBondContact O-N 2.97Å; Q343-S347 WeakPolarHBondContact O-CB 3.37Å; Q343-S347 PolarHBondContact O-N 3.47Å |
| 344 | L | 88.5 | Confident | 90.4 | Very high | 103 Ų | 103 | 97.8 Ų | 97.8 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 178.6 | -161.2 | 141 | 0 | 0 | 0 | 111.1 | L340 R341 K342 H346 S347 E348 | L340-L344 VanDerWaalsContact O-CB 3.29Å; L340-L344 WeakPolarHBondContact O-CB 3.28Å; L340-L344 PolarHBondContact O-N 3.25Å; R341-L344 PolarHBondContact O-N 3.35Å; K342-L344 VanDerWaalsContact C-N 3.34Å; L344-H346 VanDerWaalsContact C-N 3.32Å; L344-H346 PolarHBondContact O-N 3.31Å; L344-S347 CarbonylContact O-C 3.58Å; L344-S347 WeakPolarHBondContact O-CA 3.2Å; L344-S347 WeakPolarHBondContact O-CB 3.37Å; L344-S347 PolarHBondContact O-N 2.83Å; L344-S347 VanDerWaalsContact O-N 3.08Å; L344-E348 HydrophobicContact CD2-CG 4.13Å; L344-E348 WeakPolarHBondContact CD2-OE1 3.48Å; L344-E348 WeakPolarHBondContact O-CG 3.48Å; L344-E348 PolarHBondContact O-N 3.36Å |
| 345 | L | 91.9 | Very high | 90.3 | Very high | 105 Ų | 105 | 97.8 Ų | 97.8 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 171.5 | -174.7 | 77.4 | 0 | 0 | 0 | 111.6 | R341 S347 E348 T349 | R341-L345 WeakPolarHBondContact O-CB 3.33Å; R341-L345 PolarHBondContact O-N 2.86Å; L345-S347 VanDerWaalsContact C-N 3.3Å; L345-S347 PolarHBondContact O-N 3.5Å; L345-E348 PolarHBondContact O-N 3.36Å; L345-T349 WeakPolarHBondContact O-CB 3.48Å; L345-T349 WeakPolarHBondContact O-CG2 3.33Å; L345-T349 PolarHBondContact O-N 3.22Å; L345-T349 PolarHBondContact O-OG1 2.85Å |
| 346 | H | 91 | Very high | 90.3 | Very high | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 174.5 | -174.7 | 66.4 | 0 | 0 | 0 | 112.1 | K342 Q343 L344 T349 K350 | K342-H346 WeakPolarHBondContact O-CB 3.44Å; K342-H346 PolarHBondContact O-N 3.21Å; Q343-H346 WeakPolarHBondContact O-CB 3.37Å; Q343-H346 PolarHBondContact O-N 2.97Å; L344-H346 VanDerWaalsContact C-N 3.32Å; L344-H346 PolarHBondContact O-N 3.31Å; H346-T349 WeakPolarHBondContact CA-OG1 3.33Å; H346-T349 PolarHBondContact O-OG1 3.36Å; H346-K350 VanDerWaalsContact NE2-CE 3.31Å; H346-K350 WeakPolarHBondContact NE2-CE 3.49Å; H346-K350 WeakPolarHBondContact O-CB 3.43Å; H346-K350 WeakPolarHBondContact O-CG 3.25Å; H346-K350 PolarHBondContact O-N 3.01Å; H346-K350 VanDerWaalsContact O-N 3.11Å |
| 347 | S | 87.9 | Confident | 90.1 | Very high | 76 Ų | 76 | 99 Ų | 99 | 53% | 0.531 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 175 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | Q343 L344 L345 K350 L351 | Q343-S347 WeakPolarHBondContact O-CB 3.37Å; Q343-S347 PolarHBondContact O-N 3.47Å; L344-S347 CarbonylContact O-C 3.58Å; L344-S347 WeakPolarHBondContact O-CA 3.2Å; L344-S347 WeakPolarHBondContact O-CB 3.37Å; L344-S347 PolarHBondContact O-N 2.83Å; L344-S347 VanDerWaalsContact O-N 3.08Å; L345-S347 VanDerWaalsContact C-N 3.3Å; L345-S347 PolarHBondContact O-N 3.5Å; S347-K350 PolarHBondContact O-N 3.16Å; S347-L351 WeakPolarHBondContact O-CB 3.16Å; S347-L351 PolarHBondContact O-N 3.41Å |
| 348 | E | 90.1 | Very high | 90.1 | Very high | 109 Ų | 109 | 102.6 Ų | 102.6 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 176.7 | -76.8 | 179.3 | 160.2 | 0 | 0 | 111.8 | L344 L345 K350 L351 E352 | L344-E348 HydrophobicContact CD2-CG 4.13Å; L344-E348 WeakPolarHBondContact CD2-OE1 3.48Å; L344-E348 WeakPolarHBondContact O-CG 3.48Å; L344-E348 PolarHBondContact O-N 3.36Å; L345-E348 PolarHBondContact O-N 3.36Å; E348-K350 VanDerWaalsContact C-N 3.31Å; E348-K350 PolarHBondContact O-N 3.27Å; E348-L351 WeakPolarHBondContact O-CB 3.29Å; E348-L351 PolarHBondContact O-N 2.77Å; E348-E352 WeakPolarHBondContact O-CB 3.38Å; E348-E352 PolarHBondContact O-N 3.23Å |
| 349 | T | 90.8 | Very high | 90.1 | Very high | 79 Ų | 79 | 103.6 Ų | 103.6 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 176.1 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | L345 H346 E352 A353 | L345-T349 WeakPolarHBondContact O-CB 3.48Å; L345-T349 WeakPolarHBondContact O-CG2 3.33Å; L345-T349 PolarHBondContact O-N 3.22Å; L345-T349 PolarHBondContact O-OG1 2.85Å; H346-T349 WeakPolarHBondContact CA-OG1 3.33Å; H346-T349 PolarHBondContact O-OG1 3.36Å; T349-E352 PolarHBondContact O-N 3.38Å; T349-A353 WeakPolarHBondContact O-CB 3.42Å; T349-A353 PolarHBondContact O-N 3.08Å |
| 350 | K | 90.8 | Very high | 90 | Very high | 117 Ų | 117 | 103.4 Ų | 103.4 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 170.2 | -81 | -177.6 | 171.5 | -174.5 | 0 | 112.4 | H346 S347 E348 E352 A353 D354 | H346-K350 VanDerWaalsContact NE2-CE 3.31Å; H346-K350 WeakPolarHBondContact NE2-CE 3.49Å; H346-K350 WeakPolarHBondContact O-CB 3.43Å; H346-K350 WeakPolarHBondContact O-CG 3.25Å; H346-K350 PolarHBondContact O-N 3.01Å; H346-K350 VanDerWaalsContact O-N 3.11Å; S347-K350 PolarHBondContact O-N 3.16Å; E348-K350 VanDerWaalsContact C-N 3.31Å; E348-K350 PolarHBondContact O-N 3.27Å; K350-E352 VanDerWaalsContact C-N 3.28Å; K350-E352 PolarHBondContact O-N 3.08Å; K350-A353 WeakPolarHBondContact O-CB 3.14Å; K350-A353 PolarHBondContact O-N 3.27Å; K350-D354 WeakPolarHBondContact O-CB 2.94Å; K350-D354 VanDerWaalsContact O-CG 3.32Å; K350-D354 PolarHBondContact O-N 3.02Å |
| 351 | L | 89.1 | Confident | 89.9 | Confident | 96 Ų | 96 | 106.3 Ų | 106.3 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 178.1 | -170.9 | 101 | 0 | 0 | 0 | 111.5 | S347 E348 D354 K355 | S347-L351 WeakPolarHBondContact O-CB 3.16Å; S347-L351 PolarHBondContact O-N 3.41Å; E348-L351 WeakPolarHBondContact O-CB 3.29Å; E348-L351 PolarHBondContact O-N 2.77Å; L351-D354 PolarHBondContact O-N 2.98Å; L351-K355 WeakPolarHBondContact O-CG 3.32Å; L351-K355 PolarHBondContact O-N 3.49Å |
| 352 | E | 89.9 | Confident | 89.8 | Confident | 93 Ų | 93 | 100.3 Ų | 100.3 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.5 | -38.9 | 179.3 | -150.4 | 64.9 | -163.6 | 0 | 0 | 111.7 | E348 T349 K350 D354 K355 Q356 | E348-E352 WeakPolarHBondContact O-CB 3.38Å; E348-E352 PolarHBondContact O-N 3.23Å; T349-E352 PolarHBondContact O-N 3.38Å; K350-E352 VanDerWaalsContact C-N 3.28Å; K350-E352 PolarHBondContact O-N 3.08Å; E352-D354 VanDerWaalsContact C-N 3.33Å; E352-K355 PolarHBondContact O-N 3.35Å; E352-K355 IonicContact OE2-NZ 3.66Å; E352-K355 PolarHBondContact OE2-NZ 3.36Å; E352-Q356 WeakPolarHBondContact O-CG 3.41Å; E352-Q356 PolarHBondContact O-N 3.46Å |
| 353 | A | 89.3 | Confident | 89.7 | Confident | 53 Ų | 53 | 99.6 Ų | 99.6 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T349 K350 Q356 A357 | T349-A353 WeakPolarHBondContact O-CB 3.42Å; T349-A353 PolarHBondContact O-N 3.08Å; K350-A353 WeakPolarHBondContact O-CB 3.14Å; K350-A353 PolarHBondContact O-N 3.27Å; A353-Q356 PolarHBondContact O-N 3.13Å; A353-A357 WeakPolarHBondContact O-CB 3.32Å; A353-A357 PolarHBondContact O-N 2.87Å |
| 354 | D | 91 | Very high | 89.5 | Confident | 111 Ų | 111 | 97.7 Ų | 97.7 | 59% | 0.594 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.4 | -36.8 | 176.7 | -72 | -19.5 | 0 | 0 | 0 | 111.9 | K350 L351 E352 A357 Y358 | K350-D354 WeakPolarHBondContact O-CB 2.94Å; K350-D354 VanDerWaalsContact O-CG 3.32Å; K350-D354 PolarHBondContact O-N 3.02Å; L351-D354 PolarHBondContact O-N 2.98Å; E352-D354 VanDerWaalsContact C-N 3.33Å; D354-A357 PolarHBondContact O-N 3.42Å; D354-Y358 WeakPolarHBondContact O-CB 3.22Å; D354-Y358 PolarHBondContact O-N 2.94Å |
| 355 | K | 89.7 | Confident | 89.5 | Confident | 99 Ų | 99 | 97.4 Ų | 97.4 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 171.4 | -75.3 | 178.3 | -163.2 | 158.2 | 0 | 111.9 | L351 E352 Y358 T359 | L351-K355 WeakPolarHBondContact O-CG 3.32Å; L351-K355 PolarHBondContact O-N 3.49Å; E352-K355 PolarHBondContact O-N 3.35Å; E352-K355 IonicContact OE2-NZ 3.66Å; E352-K355 PolarHBondContact OE2-NZ 3.36Å; K355-Y358 PolarHBondContact O-N 3.01Å; K355-T359 WeakPolarHBondContact O-CG2 3.48Å; K355-T359 PolarHBondContact O-N 2.87Å; K355-T359 PolarHBondContact O-OG1 3.39Å |
| 356 | Q | 88.4 | Confident | 89.4 | Confident | 126 Ų | 126 | 98.5 Ų | 98.5 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 174.4 | -73.6 | 178.9 | 11.4 | 0 | 0 | 110.6 | E352 A353 Y358 T359 T360 | E352-Q356 WeakPolarHBondContact O-CG 3.41Å; E352-Q356 PolarHBondContact O-N 3.46Å; A353-Q356 PolarHBondContact O-N 3.13Å; Q356-Y358 PolarHBondContact O-N 2.79Å; Q356-T359 WeakPolarHBondContact CA-OG1 3.33Å; Q356-T359 PolarHBondContact O-N 3.37Å; Q356-T359 PolarHBondContact O-OG1 2.87Å; Q356-T360 VanDerWaalsContact O-CG2 3.3Å; Q356-T360 WeakPolarHBondContact O-CG2 3.37Å; Q356-T360 PolarHBondContact O-N 3.35Å; Q356-T360 PolarHBondContact O-OG1 2.9Å |
| 357 | A | 88.7 | Confident | 89.3 | Confident | 33 Ų | 33 | 97.6 Ų | 97.6 | 27% | 0.273 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A353 D354 T359 T360 Y361 | A353-A357 WeakPolarHBondContact O-CB 3.32Å; A353-A357 PolarHBondContact O-N 2.87Å; D354-A357 PolarHBondContact O-N 3.42Å; A357-T359 PolarHBondContact O-N 2.86Å; A357-T360 WeakPolarHBondContact CA-OG1 3.26Å; A357-T360 PolarHBondContact O-N 3.48Å; A357-T360 PolarHBondContact O-OG1 2.88Å; A357-Y361 HydrophobicContact CB-CD2 4.29Å; A357-Y361 HydrophobicContact CB-CE2 4.05Å; A357-Y361 WeakPolarHBondContact O-CB 3.44Å; A357-Y361 WeakPolarHBondContact O-CD2 3.15Å; A357-Y361 PolarHBondContact O-N 3.47Å |
| 358 | Y | 88.4 | Confident | 89.2 | Confident | 169 Ų | 169 | 97.3 Ų | 97.3 | 66% | 0.663 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.9 | -44.7 | 178 | -177.4 | -94.1 | 0 | 0 | 0 | 112.9 | D354 K355 Q356 Y361 S362 | D354-Y358 WeakPolarHBondContact O-CB 3.22Å; D354-Y358 PolarHBondContact O-N 2.94Å; K355-Y358 PolarHBondContact O-N 3.01Å; Q356-Y358 PolarHBondContact O-N 2.79Å; Y358-Y361 PolarHBondContact O-N 2.94Å; Y358-S362 VanDerWaalsContact O-CB 3.25Å; Y358-S362 WeakPolarHBondContact O-CB 2.92Å; Y358-S362 PolarHBondContact O-N 2.99Å |
| 359 | T | 90.7 | Very high | 89.1 | Confident | 86 Ų | 86 | 97.7 Ų | 97.7 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 177.1 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | K355 Q356 A357 S362 R363 | K355-T359 WeakPolarHBondContact O-CG2 3.48Å; K355-T359 PolarHBondContact O-N 2.87Å; K355-T359 PolarHBondContact O-OG1 3.39Å; Q356-T359 WeakPolarHBondContact CA-OG1 3.33Å; Q356-T359 PolarHBondContact O-N 3.37Å; Q356-T359 PolarHBondContact O-OG1 2.87Å; A357-T359 PolarHBondContact O-N 2.86Å; T359-S362 PolarHBondContact O-N 3.43Å; T359-R363 PolarHBondContact O-N 3.12Å |
| 360 | T | 88.1 | Confident | 89 | Confident | 67 Ų | 67 | 102.1 Ų | 102.1 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 173 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | Q356 A357 S362 R363 I364 | Q356-T360 VanDerWaalsContact O-CG2 3.3Å; Q356-T360 WeakPolarHBondContact O-CG2 3.37Å; Q356-T360 PolarHBondContact O-N 3.35Å; Q356-T360 PolarHBondContact O-OG1 2.9Å; A357-T360 WeakPolarHBondContact CA-OG1 3.26Å; A357-T360 PolarHBondContact O-N 3.48Å; A357-T360 PolarHBondContact O-OG1 2.88Å; T360-S362 VanDerWaalsContact C-N 3.34Å; T360-S362 PolarHBondContact O-N 3.48Å; T360-R363 PolarHBondContact O-N 3.43Å; T360-I364 WeakPolarHBondContact O-CB 3.4Å; T360-I364 VanDerWaalsContact O-CG1 3.24Å; T360-I364 WeakPolarHBondContact O-CG1 3.1Å; T360-I364 PolarHBondContact O-N 2.96Å |
| 361 | Y | 88.5 | Confident | 88.8 | Confident | 160 Ų | 160 | 101 Ų | 101 | 63% | 0.627 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -38.3 | 175.9 | -71.7 | -51.9 | 0 | 0 | 0 | 112.4 | A357 Y358 I364 L365 | A357-Y361 HydrophobicContact CB-CD2 4.29Å; A357-Y361 HydrophobicContact CB-CE2 4.05Å; A357-Y361 WeakPolarHBondContact O-CB 3.44Å; A357-Y361 WeakPolarHBondContact O-CD2 3.15Å; A357-Y361 PolarHBondContact O-N 3.47Å; Y358-Y361 PolarHBondContact O-N 2.94Å; Y361-I364 PolarHBondContact O-N 3.47Å; Y361-L365 VanDerWaalsContact O-CB 3.27Å; Y361-L365 WeakPolarHBondContact O-CB 3.14Å; Y361-L365 PolarHBondContact O-N 2.96Å |
| 362 | S | 90.5 | Very high | 88.7 | Confident | 41 Ų | 41 | 101.1 Ų | 101.1 | 29% | 0.287 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 175.8 | -176 | 0 | 0 | 0 | 0 | 111.6 | Y358 T359 T360 L365 Q366 | Y358-S362 VanDerWaalsContact O-CB 3.25Å; Y358-S362 WeakPolarHBondContact O-CB 2.92Å; Y358-S362 PolarHBondContact O-N 2.99Å; T359-S362 PolarHBondContact O-N 3.43Å; T360-S362 VanDerWaalsContact C-N 3.34Å; T360-S362 PolarHBondContact O-N 3.48Å; S362-L365 PolarHBondContact O-N 3.46Å; S362-Q366 WeakPolarHBondContact O-CG 3.28Å; S362-Q366 PolarHBondContact O-N 2.83Å |
| 363 | R | 88.9 | Confident | 88.7 | Confident | 141 Ų | 141 | 102 Ų | 102 | 53% | 0.532 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 173.9 | -174.1 | -179.4 | 72.3 | 96.5 | -4.8 | 111.5 | T359 T360 L365 Q366 E367 | T359-R363 PolarHBondContact O-N 3.12Å; T360-R363 PolarHBondContact O-N 3.43Å; R363-L365 VanDerWaalsContact C-N 3.29Å; R363-L365 PolarHBondContact O-N 3Å; R363-Q366 PolarHBondContact O-N 3.39Å; R363-E367 IonicContact CZ-OE1 3.52Å; R363-E367 IonicContact NH1-OE1 3.56Å; R363-E367 PolarHBondContact NH1-OE1 3.06Å; R363-E367 IonicContact NH1-OE2 3.46Å; R363-E367 WeakPolarHBondContact O-CB 3.15Å; R363-E367 PolarHBondContact O-N 3.49Å |
| 364 | I | 88 | Confident | 88.7 | Confident | 79 Ų | 79 | 102.7 Ų | 102.7 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.1 | -67.9 | 164.8 | 0 | 0 | 0 | 109.7 | T360 Y361 E367 T368 | T360-I364 WeakPolarHBondContact O-CB 3.4Å; T360-I364 VanDerWaalsContact O-CG1 3.24Å; T360-I364 WeakPolarHBondContact O-CG1 3.1Å; T360-I364 PolarHBondContact O-N 2.96Å; Y361-I364 PolarHBondContact O-N 3.47Å; I364-E367 PolarHBondContact O-N 3.29Å; I364-T368 HydrophobicContact CG2-CG2 4.23Å; I364-T368 WeakPolarHBondContact O-CB 3.41Å; I364-T368 VanDerWaalsContact O-CG2 3.23Å; I364-T368 WeakPolarHBondContact O-CG2 3.16Å; I364-T368 PolarHBondContact O-N 2.87Å; I364-T368 PolarHBondContact O-OG1 3.13Å |
| 365 | L | 88.3 | Confident | 88.3 | Confident | 97 Ų | 97 | 99.8 Ų | 99.8 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 177.3 | -174.8 | 67.8 | 0 | 0 | 0 | 111.2 | Y361 S362 R363 E367 T368 E369 | Y361-L365 VanDerWaalsContact O-CB 3.27Å; Y361-L365 WeakPolarHBondContact O-CB 3.14Å; Y361-L365 PolarHBondContact O-N 2.96Å; S362-L365 PolarHBondContact O-N 3.46Å; R363-L365 VanDerWaalsContact C-N 3.29Å; R363-L365 PolarHBondContact O-N 3Å; L365-E367 VanDerWaalsContact C-N 3.33Å; L365-E367 PolarHBondContact O-N 2.93Å; L365-T368 WeakPolarHBondContact CA-OG1 3.09Å; L365-T368 CarbonylContact O-C 3.58Å; L365-T368 PolarHBondContact O-N 3.15Å; L365-T368 VanDerWaalsContact O-N 3.12Å; L365-T368 PolarHBondContact O-OG1 3.36Å; L365-E369 HydrophobicContact CG-CG 4.45Å; L365-E369 WeakPolarHBondContact O-CB 3.27Å; L365-E369 WeakPolarHBondContact O-CG 3.43Å; L365-E369 PolarHBondContact O-N 3.04Å |
| 366 | Q | 90.1 | Very high | 88.2 | Confident | 128 Ų | 128 | 100.9 Ų | 100.9 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.5 | -41.7 | 176.8 | -75.9 | -178.1 | -5.9 | 0 | 0 | 112.6 | S362 R363 E369 R370 | S362-Q366 WeakPolarHBondContact O-CG 3.28Å; S362-Q366 PolarHBondContact O-N 2.83Å; R363-Q366 PolarHBondContact O-N 3.39Å; Q366-E369 PolarHBondContact O-N 3.49Å; Q366-R370 WeakPolarHBondContact O-CB 3.23Å; Q366-R370 PolarHBondContact O-N 2.82Å |
| 367 | E | 87.4 | Confident | 88.1 | Confident | 89 Ų | 89 | 98.4 Ų | 98.4 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.3 | -79.1 | 176 | -172.3 | 0 | 0 | 111.3 | R363 I364 L365 R370 N371 | R363-E367 IonicContact CZ-OE1 3.52Å; R363-E367 IonicContact NH1-OE1 3.56Å; R363-E367 PolarHBondContact NH1-OE1 3.06Å; R363-E367 IonicContact NH1-OE2 3.46Å; R363-E367 WeakPolarHBondContact O-CB 3.15Å; R363-E367 PolarHBondContact O-N 3.49Å; I364-E367 PolarHBondContact O-N 3.29Å; L365-E367 VanDerWaalsContact C-N 3.33Å; L365-E367 PolarHBondContact O-N 2.93Å; E367-R370 PolarHBondContact O-N 3.21Å; E367-N371 WeakPolarHBondContact O-CB 3.39Å; E367-N371 PolarHBondContact O-N 3.39Å; E367-N371 PolarHBondContact O-ND2 3.44Å |
| 368 | T | 86.5 | Confident | 87.9 | Confident | 71 Ų | 71 | 103.1 Ų | 103.1 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 177.1 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | I364 L365 N371 L372 | I364-T368 HydrophobicContact CG2-CG2 4.23Å; I364-T368 WeakPolarHBondContact O-CB 3.41Å; I364-T368 VanDerWaalsContact O-CG2 3.23Å; I364-T368 WeakPolarHBondContact O-CG2 3.16Å; I364-T368 PolarHBondContact O-N 2.87Å; I364-T368 PolarHBondContact O-OG1 3.13Å; L365-T368 WeakPolarHBondContact CA-OG1 3.09Å; L365-T368 CarbonylContact O-C 3.58Å; L365-T368 PolarHBondContact O-N 3.15Å; L365-T368 VanDerWaalsContact O-N 3.12Å; L365-T368 PolarHBondContact O-OG1 3.36Å; T368-N371 PolarHBondContact O-N 2.87Å; T368-L372 VanDerWaalsContact O-CB 3.26Å; T368-L372 WeakPolarHBondContact O-CB 2.97Å; T368-L372 PolarHBondContact O-N 2.88Å |
| 369 | E | 87.5 | Confident | 87.8 | Confident | 116 Ų | 116 | 99.8 Ų | 99.8 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 175.1 | -75.6 | -178.4 | 164 | 0 | 0 | 111.3 | L365 Q366 L372 L373 | L365-E369 HydrophobicContact CG-CG 4.45Å; L365-E369 WeakPolarHBondContact O-CB 3.27Å; L365-E369 WeakPolarHBondContact O-CG 3.43Å; L365-E369 PolarHBondContact O-N 3.04Å; Q366-E369 PolarHBondContact O-N 3.49Å; E369-L372 PolarHBondContact O-N 2.95Å; E369-L373 WeakPolarHBondContact O-CB 3.28Å; E369-L373 PolarHBondContact O-N 3.05Å |
| 370 | R | 88.4 | Confident | 87.7 | Confident | 173 Ų | 173 | 101.2 Ų | 101.2 | 65% | 0.653 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 175.3 | -163.3 | -179.3 | 98.7 | 133.1 | 3.4 | 111.4 | Q366 E367 L372 L373 N374 | Q366-R370 WeakPolarHBondContact O-CB 3.23Å; Q366-R370 PolarHBondContact O-N 2.82Å; E367-R370 PolarHBondContact O-N 3.21Å; R370-L372 VanDerWaalsContact C-N 3.34Å; R370-L373 PolarHBondContact O-N 3.04Å; R370-N374 VanDerWaalsContact O-CG 3.28Å; R370-N374 PolarHBondContact O-N 3.41Å |
| 371 | N | 88.1 | Confident | 87.7 | Confident | 94 Ų | 94 | 102 Ų | 102 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 176.3 | -69.9 | -18 | 0 | 0 | 0 | 111.5 | E367 T368 N374 A375 | E367-N371 WeakPolarHBondContact O-CB 3.39Å; E367-N371 PolarHBondContact O-N 3.39Å; E367-N371 PolarHBondContact O-ND2 3.44Å; T368-N371 PolarHBondContact O-N 2.87Å; N371-N374 PolarHBondContact O-N 2.89Å; N371-A375 VanDerWaalsContact O-CB 3.31Å; N371-A375 WeakPolarHBondContact O-CB 3.41Å; N371-A375 PolarHBondContact O-N 3.27Å |
| 372 | L | 86.8 | Confident | 87.4 | Confident | 97 Ų | 97 | 96.6 Ų | 96.6 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 173.9 | -176.5 | 76.3 | 0 | 0 | 0 | 111.4 | T368 E369 R370 A375 K376 | T368-L372 VanDerWaalsContact O-CB 3.26Å; T368-L372 WeakPolarHBondContact O-CB 2.97Å; T368-L372 PolarHBondContact O-N 2.88Å; E369-L372 PolarHBondContact O-N 2.95Å; R370-L372 VanDerWaalsContact C-N 3.34Å; L372-A375 PolarHBondContact O-N 3.46Å; L372-K376 HydrophobicContact CG-CD 4.5Å; L372-K376 WeakPolarHBondContact O-CB 3.23Å; L372-K376 WeakPolarHBondContact O-CG 3.5Å; L372-K376 PolarHBondContact O-N 3.4Å |
| 373 | L | 88.7 | Confident | 87.2 | Confident | 113 Ų | 113 | 98.8 Ų | 98.8 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 177.4 | -161.9 | 111.6 | 0 | 0 | 0 | 110.8 | E369 R370 K376 T377 | E369-L373 WeakPolarHBondContact O-CB 3.28Å; E369-L373 PolarHBondContact O-N 3.05Å; R370-L373 PolarHBondContact O-N 3.04Å; L373-K376 PolarHBondContact O-N 2.84Å; L373-T377 WeakPolarHBondContact O-CG2 3.37Å; L373-T377 PolarHBondContact O-N 3.48Å; L373-T377 PolarHBondContact O-OG1 3.45Å |
| 374 | N | 89.3 | Confident | 87 | Confident | 66 Ų | 66 | 94.8 Ų | 94.8 | 35% | 0.353 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 174.7 | -69.7 | -12 | 0 | 0 | 0 | 111.3 | R370 N371 K376 T377 E378 | R370-N374 VanDerWaalsContact O-CG 3.28Å; R370-N374 PolarHBondContact O-N 3.41Å; N371-N374 PolarHBondContact O-N 2.89Å; N374-K376 VanDerWaalsContact C-N 3.31Å; N374-K376 PolarHBondContact O-N 3.18Å; N374-T377 WeakPolarHBondContact CA-OG1 3.34Å; N374-T377 PolarHBondContact O-N 3.3Å; N374-T377 VanDerWaalsContact O-N 3.12Å; N374-T377 PolarHBondContact O-OG1 3.21Å; N374-E378 WeakPolarHBondContact O-CG 3.29Å; N374-E378 PolarHBondContact O-N 2.99Å |
| 375 | A | 83.3 | Confident | 86.9 | Confident | 51 Ų | 51 | 95.9 Ų | 95.9 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | N371 L372 N379 | N371-A375 VanDerWaalsContact O-CB 3.31Å; N371-A375 WeakPolarHBondContact O-CB 3.41Å; N371-A375 PolarHBondContact O-N 3.27Å; L372-A375 PolarHBondContact O-N 3.46Å; A375-N379 WeakPolarHBondContact O-CB 3.22Å; A375-N379 PolarHBondContact O-N 2.86Å |
| 376 | K | 86.9 | Confident | 86.7 | Confident | 122 Ų | 122 | 94 Ų | 94 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 172.8 | -80.7 | 179.8 | 178.1 | 178.1 | 0 | 111.7 | L372 L373 N374 N379 N380 | L372-K376 HydrophobicContact CG-CD 4.5Å; L372-K376 WeakPolarHBondContact O-CB 3.23Å; L372-K376 WeakPolarHBondContact O-CG 3.5Å; L372-K376 PolarHBondContact O-N 3.4Å; L373-K376 PolarHBondContact O-N 2.84Å; N374-K376 VanDerWaalsContact C-N 3.31Å; N374-K376 PolarHBondContact O-N 3.18Å; K376-N379 PolarHBondContact O-N 3.42Å; K376-N380 WeakPolarHBondContact O-CB 3.23Å; K376-N380 VanDerWaalsContact O-CG 3.22Å; K376-N380 PolarHBondContact O-N 2.77Å; K376-N380 PolarHBondContact O-ND2 3.2Å |
| 377 | T | 87.6 | Confident | 86.4 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 45% | 0.454 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.2 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | L373 N374 N380 T381 | L373-T377 WeakPolarHBondContact O-CG2 3.37Å; L373-T377 PolarHBondContact O-N 3.48Å; L373-T377 PolarHBondContact O-OG1 3.45Å; N374-T377 WeakPolarHBondContact CA-OG1 3.34Å; N374-T377 PolarHBondContact O-N 3.3Å; N374-T377 VanDerWaalsContact O-N 3.12Å; N374-T377 PolarHBondContact O-OG1 3.21Å; T377-N380 PolarHBondContact O-N 3.26Å; T377-T381 WeakPolarHBondContact O-CG2 3.23Å; T377-T381 PolarHBondContact O-N 2.86Å; T377-T381 PolarHBondContact O-OG1 3.23Å |
| 378 | E | 84.9 | Confident | 86.5 | Confident | 131 Ų | 131 | 92 Ų | 92 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.7 | -46.8 | 175 | -75.1 | 179 | 176.7 | 0 | 0 | 111.3 | N374 N380 T381 A382 | N374-E378 WeakPolarHBondContact O-CG 3.29Å; N374-E378 PolarHBondContact O-N 2.99Å; E378-N380 VanDerWaalsContact C-N 3.33Å; E378-N380 PolarHBondContact O-N 3.16Å; E378-T381 WeakPolarHBondContact CA-OG1 3.47Å; E378-T381 PolarHBondContact O-N 2.99Å; E378-T381 VanDerWaalsContact O-N 3.13Å; E378-T381 PolarHBondContact O-OG1 3.36Å; E378-A382 WeakPolarHBondContact O-CB 3.48Å; E378-A382 PolarHBondContact O-N 2.86Å |
| 379 | N | 86.2 | Confident | 86.2 | Confident | 100 Ų | 100 | 93.7 Ų | 93.7 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 177 | -169 | 16.7 | 0 | 0 | 0 | 111.7 | A375 K376 T381 A382 Q383 | A375-N379 WeakPolarHBondContact O-CB 3.22Å; A375-N379 PolarHBondContact O-N 2.86Å; K376-N379 PolarHBondContact O-N 3.42Å; N379-T381 VanDerWaalsContact C-N 3.34Å; N379-T381 PolarHBondContact O-N 3.22Å; N379-A382 PolarHBondContact O-N 3.06Å; N379-Q383 VanDerWaalsContact O-CB 3.28Å; N379-Q383 WeakPolarHBondContact O-CB 3.23Å; N379-Q383 PolarHBondContact O-N 2.99Å |
| 380 | N | 88.3 | Confident | 86 | Confident | 116 Ų | 116 | 95.9 Ų | 95.9 | 62% | 0.62 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.7 | -41 | 175.4 | -73.6 | -17.2 | 0 | 0 | 0 | 112 | K376 T377 E378 A384 | K376-N380 WeakPolarHBondContact O-CB 3.23Å; K376-N380 VanDerWaalsContact O-CG 3.22Å; K376-N380 PolarHBondContact O-N 2.77Å; K376-N380 PolarHBondContact O-ND2 3.2Å; T377-N380 PolarHBondContact O-N 3.26Å; E378-N380 VanDerWaalsContact C-N 3.33Å; E378-N380 PolarHBondContact O-N 3.16Å; N380-A384 PolarHBondContact O-N 2.81Å |
| 381 | T | 88.1 | Confident | 85.7 | Confident | 84 Ų | 84 | 95.2 Ų | 95.2 | 52% | 0.515 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 175.3 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | T377 E378 N379 A384 N385 | T377-T381 WeakPolarHBondContact O-CG2 3.23Å; T377-T381 PolarHBondContact O-N 2.86Å; T377-T381 PolarHBondContact O-OG1 3.23Å; E378-T381 WeakPolarHBondContact CA-OG1 3.47Å; E378-T381 PolarHBondContact O-N 2.99Å; E378-T381 VanDerWaalsContact O-N 3.13Å; E378-T381 PolarHBondContact O-OG1 3.36Å; N379-T381 VanDerWaalsContact C-N 3.34Å; N379-T381 PolarHBondContact O-N 3.22Å; T381-A384 PolarHBondContact O-N 3.47Å; T381-N385 PolarHBondContact O-N 3.03Å; T381-N385 PolarHBondContact O-ND2 3.18Å |
| 382 | A | 82.2 | Confident | 85.5 | Confident | 45 Ų | 45 | 96.5 Ų | 96.5 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E378 N379 A384 N385 V386 | E378-A382 WeakPolarHBondContact O-CB 3.48Å; E378-A382 PolarHBondContact O-N 2.86Å; N379-A382 PolarHBondContact O-N 3.06Å; A382-A384 PolarHBondContact O-N 2.94Å; A382-N385 WeakPolarHBondContact O-CB 3.41Å; A382-N385 PolarHBondContact O-N 2.83Å; A382-V386 WeakPolarHBondContact O-CG2 3.43Å; A382-V386 PolarHBondContact O-N 2.85Å |
| 383 | Q | 86.4 | Confident | 85.2 | Confident | 88 Ų | 88 | 97 Ų | 97 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 176.6 | -168.1 | 63.8 | 29.9 | 0 | 0 | 111.8 | N379 N385 V386 N387 | N379-Q383 VanDerWaalsContact O-CB 3.28Å; N379-Q383 WeakPolarHBondContact O-CB 3.23Å; N379-Q383 PolarHBondContact O-N 2.99Å; Q383-N385 VanDerWaalsContact C-N 3.33Å; Q383-V386 PolarHBondContact O-N 3.39Å; Q383-N387 WeakPolarHBondContact O-CB 3.26Å; Q383-N387 PolarHBondContact O-N 3.5Å; Q383-N387 PolarHBondContact O-ND2 3.34Å |
| 384 | A | 85.1 | Confident | 84.8 | Confident | 57 Ų | 57 | 98.2 Ų | 98.2 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N380 T381 A382 N387 N388 | N380-A384 PolarHBondContact O-N 2.81Å; T381-A384 PolarHBondContact O-N 3.47Å; A382-A384 PolarHBondContact O-N 2.94Å; A384-N387 PolarHBondContact O-N 2.86Å; A384-N388 PolarHBondContact O-N 3.12Å; A384-N388 VanDerWaalsContact O-N 3.09Å |
| 385 | N | 85.9 | Confident | 84.5 | Confident | 101 Ų | 101 | 102.3 Ų | 102.3 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 175.7 | -70.7 | -20.8 | 0 | 0 | 0 | 112.4 | T381 A382 Q383 N387 N388 I389 | T381-N385 PolarHBondContact O-N 3.03Å; T381-N385 PolarHBondContact O-ND2 3.18Å; A382-N385 WeakPolarHBondContact O-CB 3.41Å; A382-N385 PolarHBondContact O-N 2.83Å; Q383-N385 VanDerWaalsContact C-N 3.33Å; N385-N387 VanDerWaalsContact C-N 3.33Å; N385-N387 PolarHBondContact O-N 3.48Å; N385-N388 WeakPolarHBondContact O-CB 3.3Å; N385-N388 PolarHBondContact O-N 3.27Å; N385-N388 VanDerWaalsContact O-N 3.11Å; N385-I389 WeakPolarHBondContact O-CG1 3.49Å; N385-I389 PolarHBondContact O-N 2.88Å |
| 386 | V | 82.7 | Confident | 84.4 | Confident | 58 Ų | 58 | 105.9 Ų | 105.9 | 35% | 0.352 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 176.2 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | A382 Q383 N388 I389 R390 | A382-V386 WeakPolarHBondContact O-CG2 3.43Å; A382-V386 PolarHBondContact O-N 2.85Å; Q383-V386 PolarHBondContact O-N 3.39Å; V386-N388 VanDerWaalsContact C-N 3.26Å; V386-N388 PolarHBondContact O-N 2.89Å; V386-I389 PolarHBondContact O-N 3.49Å; V386-R390 HydrophobicContact CG1-CG 4.41Å; V386-R390 WeakPolarHBondContact O-CB 3.33Å; V386-R390 WeakPolarHBondContact O-CG 3.34Å; V386-R390 PolarHBondContact O-N 3.3Å |
| 387 | N | 84.8 | Confident | 84.2 | Confident | 82 Ų | 82 | 103 Ų | 103 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 176.3 | -73.3 | -17.1 | 0 | 0 | 0 | 111.9 | Q383 A384 N385 K391 | Q383-N387 WeakPolarHBondContact O-CB 3.26Å; Q383-N387 PolarHBondContact O-N 3.5Å; Q383-N387 PolarHBondContact O-ND2 3.34Å; A384-N387 PolarHBondContact O-N 2.86Å; N385-N387 VanDerWaalsContact C-N 3.33Å; N385-N387 PolarHBondContact O-N 3.48Å; N387-K391 PolarHBondContact O-N 3Å |
| 388 | N | 88.3 | Confident | 83.7 | Confident | 93 Ų | 93 | 105 Ų | 105 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.1 | -43.7 | 175.5 | -158 | 14.4 | 0 | 0 | 0 | 112 | A384 N385 V386 K391 Q392 | A384-N388 PolarHBondContact O-N 3.12Å; A384-N388 VanDerWaalsContact O-N 3.09Å; N385-N388 WeakPolarHBondContact O-CB 3.3Å; N385-N388 PolarHBondContact O-N 3.27Å; N385-N388 VanDerWaalsContact O-N 3.11Å; V386-N388 VanDerWaalsContact C-N 3.26Å; V386-N388 PolarHBondContact O-N 2.89Å; N388-K391 PolarHBondContact O-N 3.43Å; N388-Q392 PolarHBondContact O-N 2.84Å |
| 389 | I | 81.5 | Confident | 83.7 | Confident | 106 Ų | 106 | 103.4 Ų | 103.4 | 54% | 0.544 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.7 | -67 | 170.5 | 0 | 0 | 0 | 111.3 | N385 V386 K391 Q392 L393 | N385-I389 WeakPolarHBondContact O-CG1 3.49Å; N385-I389 PolarHBondContact O-N 2.88Å; V386-I389 PolarHBondContact O-N 3.49Å; I389-K391 VanDerWaalsContact C-N 3.31Å; I389-K391 PolarHBondContact O-N 3.34Å; I389-Q392 WeakPolarHBondContact O-CA 3.39Å; I389-Q392 WeakPolarHBondContact O-CB 3.24Å; I389-Q392 PolarHBondContact O-N 3.41Å; I389-L393 PolarHBondContact O-N 3.1Å |
| 390 | R | 81.7 | Confident | 83.3 | Confident | 162 Ų | 162 | 103.9 Ų | 103.9 | 61% | 0.611 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.1 | -43.2 | 176.5 | -78.7 | -177.5 | 176.6 | -174.5 | -0.5 | 112 | V386 Q392 L393 E394 | V386-R390 HydrophobicContact CG1-CG 4.41Å; V386-R390 WeakPolarHBondContact O-CB 3.33Å; V386-R390 WeakPolarHBondContact O-CG 3.34Å; V386-R390 PolarHBondContact O-N 3.3Å; R390-Q392 VanDerWaalsContact C-N 3.28Å; R390-Q392 PolarHBondContact O-N 2.84Å; R390-L393 PolarHBondContact O-N 2.85Å; R390-E394 PolarHBondContact O-N 3.38Å |
| 391 | K | 82.4 | Confident | 82.9 | Confident | 159 Ų | 159 | 103.2 Ų | 103.2 | 69% | 0.691 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -35.5 | 173.6 | -78.9 | -177.6 | 175.3 | -179.4 | 0 | 112.8 | N387 N388 I389 | N387-K391 PolarHBondContact O-N 3Å; N388-K391 PolarHBondContact O-N 3.43Å; I389-K391 VanDerWaalsContact C-N 3.31Å; I389-K391 PolarHBondContact O-N 3.34Å |
| 392 | Q | 85.1 | Confident | 82.4 | Confident | 122 Ų | 122 | 104.2 Ų | 104.2 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.4 | -39.1 | 175.5 | -67.1 | -179.8 | 1.1 | 0 | 0 | 112.3 | N388 I389 R390 K395 K396 | N388-Q392 PolarHBondContact O-N 2.84Å; I389-Q392 WeakPolarHBondContact O-CA 3.39Å; I389-Q392 WeakPolarHBondContact O-CB 3.24Å; I389-Q392 PolarHBondContact O-N 3.41Å; R390-Q392 VanDerWaalsContact C-N 3.28Å; R390-Q392 PolarHBondContact O-N 2.84Å; Q392-K395 WeakPolarHBondContact O-CB 3.46Å; Q392-K395 PolarHBondContact O-N 3.46Å; Q392-K396 PolarHBondContact O-N 3.31Å |
| 393 | L | 79.5 | Confident | 82 | Confident | 106 Ų | 106 | 107.2 Ų | 107.2 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -43.7 | 179.4 | -175.8 | 67.1 | 0 | 0 | 0 | 112.1 | I389 R390 K395 K396 V397 | I389-L393 PolarHBondContact O-N 3.1Å; R390-L393 PolarHBondContact O-N 2.85Å; L393-K395 PolarHBondContact O-N 3.28Å; L393-K396 PolarHBondContact O-N 3.47Å; L393-V397 HydrophobicContact CD1-CG2 4.44Å; L393-V397 HydrophobicContact CG-CG2 4.33Å; L393-V397 WeakPolarHBondContact O-CG2 3.29Å; L393-V397 PolarHBondContact O-N 3.33Å |
| 394 | E | 81 | Confident | 81.7 | Confident | 140 Ų | 140 | 107.8 Ų | 107.8 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -55.7 | -40.1 | 174.6 | -87.4 | -179.5 | 155.3 | 0 | 0 | 111.7 | R390 K396 V397 L398 | R390-E394 PolarHBondContact O-N 3.38Å; E394-K396 VanDerWaalsContact C-N 3.33Å; E394-K396 PolarHBondContact O-N 3.03Å; E394-V397 PolarHBondContact O-N 3.37Å; E394-L398 PolarHBondContact O-N 2.95Å |
| 395 | K | 82.7 | Confident | 81.2 | Confident | 151 Ų | 151 | 111.9 Ų | 111.9 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 176.1 | -145.1 | 179 | -175.6 | -176.3 | 0 | 112 | Q392 L393 | Q392-K395 WeakPolarHBondContact O-CB 3.46Å; Q392-K395 PolarHBondContact O-N 3.46Å; L393-K395 PolarHBondContact O-N 3.28Å |
| 396 | K | 81.9 | Confident | 80.7 | Confident | 126 Ų | 126 | 114 Ų | 114 | 55% | 0.548 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -75.6 | -33.3 | 178.8 | -71.3 | -60.9 | 179.7 | -169.8 | 0 | 114.5 | Q392 L393 E394 L398 E399 K400 | Q392-K396 PolarHBondContact O-N 3.31Å; L393-K396 PolarHBondContact O-N 3.47Å; E394-K396 VanDerWaalsContact C-N 3.33Å; E394-K396 PolarHBondContact O-N 3.03Å; K396-L398 VanDerWaalsContact C-N 3.32Å; K396-E399 VanDerWaalsContact CD-OE2 3.27Å; K396-E399 WeakPolarHBondContact CD-OE2 3.21Å; K396-E399 IonicContact NZ-OE1 3.76Å; K396-E399 IonicContact NZ-OE2 2.73Å; K396-E399 PolarHBondContact NZ-OE2 3.04Å; K396-E399 PolarHBondContact O-N 2.95Å; K396-K400 PolarHBondContact O-N 3.16Å |
| 397 | V | 81.2 | Confident | 80 | Confident | 63 Ų | 63 | 116.2 Ų | 116.2 | 38% | 0.382 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L393 E394 K400 Q401 | L393-V397 HydrophobicContact CD1-CG2 4.44Å; L393-V397 HydrophobicContact CG-CG2 4.33Å; L393-V397 WeakPolarHBondContact O-CG2 3.29Å; L393-V397 PolarHBondContact O-N 3.33Å; E394-V397 PolarHBondContact O-N 3.37Å; V397-K400 PolarHBondContact O-N 3.2Å; V397-Q401 PolarHBondContact O-N 3.18Å; V397-Q401 VanDerWaalsContact O-N 3.14Å |
| 398 | L | 78.9 | Confident | 79.5 | Confident | 116 Ų | 116 | 115.3 Ų | 115.3 | 61% | 0.607 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 174.9 | -72.8 | 167.6 | 0 | 0 | 0 | 111.9 | E394 K396 K400 Q401 | E394-L398 PolarHBondContact O-N 2.95Å; K396-L398 VanDerWaalsContact C-N 3.32Å; L398-K400 VanDerWaalsContact C-N 3.34Å; L398-K400 PolarHBondContact O-N 3.34Å; L398-Q401 PolarHBondContact O-N 3.3Å |
| 399 | E | 83.2 | Confident | 78.4 | Confident | 97 Ų | 97 | 117.9 Ų | 117.9 | 45% | 0.453 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.3 | -38.9 | 175.3 | -69.3 | 173 | -171 | 0 | 0 | 112.5 | K396 | K396-E399 VanDerWaalsContact CD-OE2 3.27Å; K396-E399 WeakPolarHBondContact CD-OE2 3.21Å; K396-E399 IonicContact NZ-OE1 3.76Å; K396-E399 IonicContact NZ-OE2 2.73Å; K396-E399 PolarHBondContact NZ-OE2 3.04Å; K396-E399 PolarHBondContact O-N 2.95Å |
| 400 | K | 78.8 | Confident | 77.5 | Confident | 110 Ų | 110 | 120.4 Ų | 120.4 | 48% | 0.478 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.3 | -44.4 | 179.8 | -173.7 | -150.8 | 148.9 | -168.8 | 0 | 112.3 | K396 V397 L398 D402 L403 E404 | K396-K400 PolarHBondContact O-N 3.16Å; V397-K400 PolarHBondContact O-N 3.2Å; L398-K400 VanDerWaalsContact C-N 3.34Å; L398-K400 PolarHBondContact O-N 3.34Å; K400-D402 PolarHBondContact O-N 2.95Å; K400-L403 PolarHBondContact O-N 3.46Å; K400-L403 VanDerWaalsContact O-N 3.1Å; K400-E404 WeakPolarHBondContact CE-OE1 3.31Å; K400-E404 VanDerWaalsContact CE-OE2 3.22Å; K400-E404 WeakPolarHBondContact CE-OE2 3.45Å; K400-E404 IonicContact NZ-OE1 2.8Å; K400-E404 PolarHBondContact NZ-OE1 2.86Å; K400-E404 IonicContact NZ-OE2 3.27Å; K400-E404 PolarHBondContact NZ-OE2 2.92Å; K400-E404 PolarHBondContact O-N 2.99Å |
| 401 | Q | 80 | Confident | 76.5 | Confident | 101 Ų | 101 | 118.2 Ų | 118.2 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -29.2 | -176.5 | -74.8 | 179.6 | -7.5 | 0 | 0 | 113 | V397 L398 | V397-Q401 PolarHBondContact O-N 3.18Å; V397-Q401 VanDerWaalsContact O-N 3.14Å; L398-Q401 PolarHBondContact O-N 3.3Å |
| 402 | D | 77 | Confident | 75.3 | Confident | 106 Ų | 106 | 120.3 Ų | 120.3 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.5 | -26.9 | 175.8 | -80.9 | -17.8 | 0 | 0 | 0 | 113.4 | K400 | K400-D402 PolarHBondContact O-N 2.95Å |
| 403 | L | 74.6 | Confident | 73.7 | Confident | 107 Ų | 107 | 121 Ų | 121 | 56% | 0.56 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -78.5 | -41.4 | 176.4 | -75.7 | 171.1 | 0 | 0 | 0 | 112.3 | K400 K405 K406 | K400-L403 PolarHBondContact O-N 3.46Å; K400-L403 VanDerWaalsContact O-N 3.1Å; L403-K405 VanDerWaalsContact C-N 3.27Å; L403-K405 PolarHBondContact O-N 2.89Å; L403-K406 PolarHBondContact O-N 3.32Å; L403-K406 VanDerWaalsContact O-N 3.14Å |
| 404 | E | 78.8 | Confident | 72.2 | Confident | 101 Ų | 101 | 126.9 Ų | 126.9 | 47% | 0.472 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61 | -36 | -178.5 | -76.7 | -177.2 | 152.1 | 0 | 0 | 112.3 | K400 K406 I407 S408 | K400-E404 WeakPolarHBondContact CE-OE1 3.31Å; K400-E404 VanDerWaalsContact CE-OE2 3.22Å; K400-E404 WeakPolarHBondContact CE-OE2 3.45Å; K400-E404 IonicContact NZ-OE1 2.8Å; K400-E404 PolarHBondContact NZ-OE1 2.86Å; K400-E404 IonicContact NZ-OE2 3.27Å; K400-E404 PolarHBondContact NZ-OE2 2.92Å; K400-E404 PolarHBondContact O-N 2.99Å; E404-K406 VanDerWaalsContact C-N 3.27Å; E404-K406 PolarHBondContact O-N 3.33Å; E404-I407 PolarHBondContact O-N 2.81Å; E404-S408 PolarHBondContact O-N 3.21Å; E404-S408 PolarHBondContact O-OG 3.48Å; E404-S408 VanDerWaalsContact O-OG 3.12Å |
| 405 | K | 75.3 | Confident | 70.8 | Confident | 143 Ų | 143 | 127.4 Ų | 127.4 | 62% | 0.622 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.3 | -35.6 | 176.8 | -75.3 | 176.8 | -179.4 | 170.3 | 0 | 113.1 | L403 S408 | L403-K405 VanDerWaalsContact C-N 3.27Å; L403-K405 PolarHBondContact O-N 2.89Å; K405-S408 PolarHBondContact O-OG 3.46Å |
| 406 | K | 74.9 | Confident | 68.9 | Low | 145 Ų | 145 | 126.6 Ų | 126.6 | 63% | 0.63 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.8 | -35.2 | -178.6 | -65.1 | 178.4 | -179.1 | 176.7 | 0 | 112.8 | L403 E404 | L403-K406 PolarHBondContact O-N 3.32Å; L403-K406 VanDerWaalsContact O-N 3.14Å; E404-K406 VanDerWaalsContact C-N 3.27Å; E404-K406 PolarHBondContact O-N 3.33Å |
| 407 | I | 69.4 | Low | 67 | Low | 105 Ų | 105 | 124.7 Ų | 124.7 | 54% | 0.538 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -72.9 | -35 | -176.9 | -63.4 | 171.5 | 0 | 0 | 0 | 111.2 | E404 E409 E410 L411 | E404-I407 PolarHBondContact O-N 2.81Å; I407-E409 PolarHBondContact O-N 2.76Å; I407-E410 PolarHBondContact O-N 3.35Å; I407-L411 HydrophobicContact CG2-CD1 3.99Å |
| 408 | S | 72.9 | Confident | 65.3 | Low | 62 Ų | 62 | 130.3 Ų | 130.3 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.8 | -20.4 | 179.5 | 34.8 | 0 | 0 | 0 | 0 | 114.9 | E404 K405 | E404-S408 PolarHBondContact O-N 3.21Å; E404-S408 PolarHBondContact O-OG 3.48Å; E404-S408 VanDerWaalsContact O-OG 3.12Å; K405-S408 PolarHBondContact O-OG 3.46Å |
| 409 | E | 65.8 | Low | 63.5 | Low | 147 Ų | 147 | 133.6 Ų | 133.6 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.9 | -42.6 | 177.2 | -74.1 | 174.5 | 161.5 | 0 | 0 | 111.6 | I407 L411 | I407-E409 PolarHBondContact O-N 2.76Å; E409-L411 PolarHBondContact O-N 2.96Å |
| 410 | E | 62 | Low | 62.1 | Low | 160 Ų | 160 | 133.1 Ų | 133.1 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.1 | -30.8 | -177.5 | -75 | -157.2 | 159.3 | 0 | 0 | 114.7 | I407 R412 | I407-E410 PolarHBondContact O-N 3.35Å; E410-R412 PolarHBondContact O-N 3.27Å |
| 411 | L | 61.8 | Low | 61.1 | Low | 116 Ų | 116 | 131 Ų | 131 | 61% | 0.607 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -19.2 | -172.8 | -82.2 | 167.6 | 0 | 0 | 0 | 114.3 | I407 E409 | I407-L411 HydrophobicContact CG2-CD1 3.99Å; E409-L411 PolarHBondContact O-N 2.96Å |
| 412 | R | 57.4 | Low | 60.4 | Low | 202 Ų | 202 | 130.5 Ų | 130.5 | 76% | 0.762 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -28.7 | 179.4 | -88.4 | 179.4 | 173.6 | 134.7 | -2.1 | 113.3 | E410 R414 | E410-R412 PolarHBondContact O-N 3.27Å; R412-R414 VanDerWaalsContact C-N 3.34Å; R412-R414 PolarHBondContact O-N 3.38Å |
| 413 | D | 49.9 | Very low | 59.5 | Low | 138 Ų | 138 | 134.3 Ų | 134.3 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -20.8 | -175.4 | -72.2 | -17.3 | 0 | 0 | 0 | 114.1 | ||
| 414 | R | 48.8 | Very low | 59 | Low | 229 Ų | 229 | 134.4 Ų | 134.4 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -8.7 | -174.4 | -93.2 | -179.9 | 132.1 | 150.6 | -2.4 | 116 | R412 | R412-R414 VanDerWaalsContact C-N 3.34Å; R412-R414 PolarHBondContact O-N 3.38Å |
| 415 | L | 51.3 | Low | 58.6 | Low | 150 Ų | 150 | 133.7 Ų | 133.7 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -1.1 | -167.1 | -121.1 | 141.6 | 0 | 0 | 0 | 115.1 | ||
| 416 | T | 43 | Very low | 58.6 | Low | 135 Ų | 135 | 134.3 Ų | 134.3 | 83% | 0.828 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 5.2 | -176.1 | 30.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 417 | A | 43 | Very low | 58.4 | Low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -127.1 | 129.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 418 | Q | 43.8 | Very low | 58.7 | Low | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | trans | 104.4 | 73.2 | 152.4 | -137 | 163.1 | 11.3 | 0 | 0 | 118.7 | A420 | Q418-A420 PolarHBondContact O-N 3.03Š| ||
| 419 | K | 41.9 | Very low | 58.8 | Low | 184 Ų | 184 | 132.7 Ų | 132.7 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -74.1 | 15.2 | 176.9 | -101.5 | 176.7 | 176.5 | 174.9 | 0 | 117.6 | ||
| 420 | A | 53.1 | Low | 59.5 | Low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -84.6 | -13.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q418 N422 | Q418-A420 PolarHBondContact O-N 3.03Å; A420-N422 PolarHBondContact O-N 2.93Å; A420-N422 VanDerWaalsContact O-N 3.11Å |
| 421 | A | 58.9 | Low | 60.2 | Low | 65 Ų | 65 | 128.4 Ų | 128.4 | 54% | 0.537 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -64 | -11.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y423 | A421-Y423 PolarHBondContact O-N 2.95Š|
| 422 | N | 64.6 | Low | 61 | Low | 91 Ų | 91 | 127.5 Ų | 127.5 | 49% | 0.487 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -81.6 | -13.1 | -167.8 | -71 | -13.4 | 0 | 0 | 0 | 115.2 | A420 | A420-N422 PolarHBondContact O-N 2.93Å; A420-N422 VanDerWaalsContact O-N 3.11Å |
| 423 | Y | 59.1 | Low | 62.2 | Low | 186 Ų | 186 | 121.1 Ų | 121.1 | 73% | 0.729 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -82.9 | -38 | 176.4 | -159.6 | -95.6 | 0 | 0 | 0 | 112.5 | A421 N425 K426 | A421-Y423 PolarHBondContact O-N 2.95Å; Y423-N425 VanDerWaalsContact C-N 3.32Å; Y423-N425 PolarHBondContact O-N 3.33Å; Y423-K426 PolarHBondContact O-N 3.26Å |
| 424 | V | 64.1 | Low | 63.7 | Low | 109 Ų | 109 | 120.7 Ų | 120.7 | 66% | 0.661 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.1 | -35.4 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | K426 I427 N428 | V424-K426 VanDerWaalsContact C-N 3.3Å; V424-K426 PolarHBondContact O-N 3.34Å; V424-I427 PolarHBondContact O-N 2.89Å; V424-N428 PolarHBondContact O-N 3.5Å |
| 425 | N | 70.3 | Confident | 65.1 | Low | 85 Ų | 85 | 112.8 Ų | 112.8 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.4 | -33.9 | 175.7 | -92.5 | -12.2 | 0 | 0 | 0 | 113.5 | Y423 I427 N428 I429 | Y423-N425 VanDerWaalsContact C-N 3.32Å; Y423-N425 PolarHBondContact O-N 3.33Å; N425-I427 PolarHBondContact O-N 3.33Å; N425-N428 PolarHBondContact O-N 2.91Å; N425-I429 WeakPolarHBondContact O-CD1 3.38Å; N425-I429 VanDerWaalsContact O-CG1 3.23Å; N425-I429 WeakPolarHBondContact O-CG1 3.44Å; N425-I429 PolarHBondContact O-N 2.93Å |
| 426 | K | 75.5 | Confident | 66.5 | Low | 157 Ų | 157 | 113 Ų | 113 | 68% | 0.683 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.2 | -38.5 | -177.2 | -107.2 | -175.4 | 176.1 | -176 | 0 | 113.2 | Y423 V424 | Y423-K426 PolarHBondContact O-N 3.26Å; V424-K426 VanDerWaalsContact C-N 3.3Å; V424-K426 PolarHBondContact O-N 3.34Å |
| 427 | I | 70.5 | Confident | 68.3 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71 | -38.5 | 176.6 | -62.2 | 177.1 | 0 | 0 | 0 | 110.2 | V424 N425 I429 N430 | V424-I427 PolarHBondContact O-N 2.89Å; N425-I427 PolarHBondContact O-N 3.33Å; I427-I429 VanDerWaalsContact C-N 3.34Å; I427-I429 PolarHBondContact O-N 2.93Å; I427-N430 PolarHBondContact O-N 3.36Å |
| 428 | N | 74.3 | Confident | 70.2 | Confident | 83 Ų | 83 | 113.8 Ų | 113.8 | 44% | 0.444 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.8 | -35.6 | -179.9 | -131.3 | -8 | 0 | 0 | 0 | 112.6 | V424 N425 N430 I431 Q432 | V424-N428 PolarHBondContact O-N 3.5Å; N425-N428 PolarHBondContact O-N 2.91Å; N428-N430 PolarHBondContact O-N 3.47Å; N428-I431 PolarHBondContact O-N 3.49Å; N428-Q432 WeakPolarHBondContact O-CG 3.26Å; N428-Q432 PolarHBondContact O-N 3.15Å; N428-Q432 VanDerWaalsContact O-N 3.07Å |
| 429 | I | 76.2 | Confident | 71.8 | Confident | 82 Ų | 82 | 109.7 Ų | 109.7 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.8 | -42.6 | 176.2 | -70.2 | 162 | 0 | 0 | 0 | 111.1 | N425 I427 I431 Q432 D433 | N425-I429 WeakPolarHBondContact O-CD1 3.38Å; N425-I429 VanDerWaalsContact O-CG1 3.23Å; N425-I429 WeakPolarHBondContact O-CG1 3.44Å; N425-I429 PolarHBondContact O-N 2.93Å; I427-I429 VanDerWaalsContact C-N 3.34Å; I427-I429 PolarHBondContact O-N 2.93Å; I429-I431 VanDerWaalsContact C-N 3.34Å; I429-I431 PolarHBondContact O-N 2.89Å; I429-Q432 WeakPolarHBondContact O-CB 3.49Å; I429-Q432 PolarHBondContact O-N 3.32Å; I429-Q432 VanDerWaalsContact O-N 3.13Å; I429-D433 WeakPolarHBondContact CG2-OD2 3.43Å; I429-D433 PolarHBondContact O-N 2.94Å |
| 430 | N | 79.5 | Confident | 73.8 | Confident | 110 Ų | 110 | 104.5 Ų | 104.5 | 59% | 0.588 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.2 | -35.1 | -175.6 | -147 | 30 | 0 | 0 | 0 | 112.6 | I427 N428 Q434 | I427-N430 PolarHBondContact O-N 3.36Å; N428-N430 PolarHBondContact O-N 3.47Å; N430-Q434 PolarHBondContact O-N 3.24Å |
| 431 | I | 76.5 | Confident | 75.2 | Confident | 106 Ų | 106 | 105.3 Ų | 105.3 | 54% | 0.544 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.7 | -38.7 | 173 | -66 | 175.6 | 0 | 0 | 0 | 110.8 | N428 I429 D433 S435 | N428-I431 PolarHBondContact O-N 3.49Å; I429-I431 VanDerWaalsContact C-N 3.34Å; I429-I431 PolarHBondContact O-N 2.89Å; I431-D433 VanDerWaalsContact C-N 3.33Å; I431-D433 PolarHBondContact O-N 2.95Å; I431-S435 PolarHBondContact O-N 2.89Å |
| 432 | Q | 79.2 | Confident | 76.3 | Confident | 98 Ų | 98 | 106.3 Ų | 106.3 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 176.1 | -78 | -178.6 | -12 | 0 | 0 | 112.5 | N428 I429 S435 R436 | N428-Q432 WeakPolarHBondContact O-CG 3.26Å; N428-Q432 PolarHBondContact O-N 3.15Å; N428-Q432 VanDerWaalsContact O-N 3.07Å; I429-Q432 WeakPolarHBondContact O-CB 3.49Å; I429-Q432 PolarHBondContact O-N 3.32Å; I429-Q432 VanDerWaalsContact O-N 3.13Å; Q432-S435 PolarHBondContact O-N 3Å; Q432-R436 WeakPolarHBondContact O-CB 3.04Å; Q432-R436 WeakPolarHBondContact O-CG 3.25Å; Q432-R436 PolarHBondContact O-N 2.96Å |
| 433 | D | 83.1 | Confident | 77.1 | Confident | 68 Ų | 68 | 105.4 Ų | 105.4 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.7 | -42 | 179.8 | -70.4 | -23.7 | 0 | 0 | 0 | 111.4 | I429 I431 S435 R436 E437 | I429-D433 WeakPolarHBondContact CG2-OD2 3.43Å; I429-D433 PolarHBondContact O-N 2.94Å; I431-D433 VanDerWaalsContact C-N 3.33Å; I431-D433 PolarHBondContact O-N 2.95Å; D433-S435 VanDerWaalsContact C-N 3.32Å; D433-S435 PolarHBondContact O-N 3.03Å; D433-R436 PolarHBondContact O-N 3.21Å; D433-R436 VanDerWaalsContact O-N 3.17Å; D433-R436 IonicContact OD1-NH1 3.34Å; D433-E437 PolarHBondContact O-N 3.4Å |
| 434 | Q | 81 | Confident | 78.4 | Confident | 128 Ų | 128 | 102.3 Ų | 102.3 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 171.6 | -71.4 | -176.7 | -18.7 | 0 | 0 | 112.3 | N430 R436 E437 L438 | N430-Q434 PolarHBondContact O-N 3.24Å; Q434-R436 VanDerWaalsContact C-N 3.34Å; Q434-R436 PolarHBondContact O-N 3.27Å; Q434-E437 PolarHBondContact O-N 3.45Å; Q434-L438 PolarHBondContact O-N 3.49Å |
| 435 | S | 78.1 | Confident | 79.1 | Confident | 63 Ų | 63 | 102.6 Ų | 102.6 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 175 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | I431 Q432 D433 L439 | I431-S435 PolarHBondContact O-N 2.89Å; Q432-S435 PolarHBondContact O-N 3Å; D433-S435 VanDerWaalsContact C-N 3.32Å; D433-S435 PolarHBondContact O-N 3.03Å; S435-L439 WeakPolarHBondContact O-CB 3.37Å; S435-L439 WeakPolarHBondContact O-CG 3.39Å; S435-L439 PolarHBondContact O-N 3.47Å |
| 436 | R | 80 | Confident | 79.6 | Confident | 154 Ų | 154 | 104.1 Ų | 104.1 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.7 | -38.7 | 177.2 | -78.9 | 171.7 | 173.4 | 174 | -2.5 | 112 | Q432 D433 Q434 L439 T440 | Q432-R436 WeakPolarHBondContact O-CB 3.04Å; Q432-R436 WeakPolarHBondContact O-CG 3.25Å; Q432-R436 PolarHBondContact O-N 2.96Å; D433-R436 PolarHBondContact O-N 3.21Å; D433-R436 VanDerWaalsContact O-N 3.17Å; D433-R436 IonicContact OD1-NH1 3.34Å; Q434-R436 VanDerWaalsContact C-N 3.34Å; Q434-R436 PolarHBondContact O-N 3.27Å; R436-L439 PolarHBondContact O-N 3.32Å; R436-T440 WeakPolarHBondContact O-CB 3.46Å; R436-T440 PolarHBondContact O-N 3.14Å; R436-T440 PolarHBondContact O-OG1 3.08Å |
| 437 | E | 81.5 | Confident | 80 | Confident | 130 Ų | 130 | 101.6 Ų | 101.6 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.7 | -42.2 | 179.6 | -160.6 | 153.9 | -156.5 | 0 | 0 | 111.2 | D433 Q434 T440 Q441 | D433-E437 PolarHBondContact O-N 3.4Å; Q434-E437 PolarHBondContact O-N 3.45Å; E437-T440 PolarHBondContact O-N 3.05Å; E437-Q441 WeakPolarHBondContact O-CG 3.24Å; E437-Q441 PolarHBondContact O-N 3.3Å |
| 438 | L | 82.2 | Confident | 80.7 | Confident | 109 Ų | 109 | 102.1 Ų | 102.1 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 171.7 | -72.6 | 172.7 | 0 | 0 | 0 | 112.7 | Q434 T440 Q441 I442 | Q434-L438 PolarHBondContact O-N 3.49Å; L438-T440 VanDerWaalsContact C-N 3.28Å; L438-T440 PolarHBondContact O-N 3Å; L438-Q441 PolarHBondContact O-N 3.49Å; L438-I442 WeakPolarHBondContact O-CG1 3.25Å; L438-I442 PolarHBondContact O-N 3.3Å |
| 439 | L | 78.9 | Confident | 81.2 | Confident | 95 Ų | 95 | 102.5 Ų | 102.5 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 174 | -83.7 | 163.3 | 0 | 0 | 0 | 112.1 | S435 R436 I442 V443 | S435-L439 WeakPolarHBondContact O-CB 3.37Å; S435-L439 WeakPolarHBondContact O-CG 3.39Å; S435-L439 PolarHBondContact O-N 3.47Å; R436-L439 PolarHBondContact O-N 3.32Å; L439-I442 PolarHBondContact O-N 3.01Å; L439-V443 WeakPolarHBondContact O-CG2 3.28Å; L439-V443 PolarHBondContact O-N 2.82Å |
| 440 | T | 82.8 | Confident | 81.5 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 178.3 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | R436 E437 L438 V443 Q444 | R436-T440 WeakPolarHBondContact O-CB 3.46Å; R436-T440 PolarHBondContact O-N 3.14Å; R436-T440 PolarHBondContact O-OG1 3.08Å; E437-T440 PolarHBondContact O-N 3.05Å; L438-T440 VanDerWaalsContact C-N 3.28Å; L438-T440 PolarHBondContact O-N 3Å; T440-V443 PolarHBondContact O-N 3.49Å; T440-Q444 WeakPolarHBondContact O-CG 3.27Å; T440-Q444 PolarHBondContact O-N 2.89Å |
| 441 | Q | 83.7 | Confident | 81.8 | Confident | 104 Ų | 104 | 103.4 Ų | 103.4 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 173.7 | -69.7 | 174.8 | 19 | 0 | 0 | 112.1 | E437 L438 Q444 M445 | E437-Q441 WeakPolarHBondContact O-CG 3.24Å; E437-Q441 PolarHBondContact O-N 3.3Å; L438-Q441 PolarHBondContact O-N 3.49Å; Q441-Q444 PolarHBondContact O-N 2.72Å; Q441-M445 WeakPolarHBondContact O-CG 3.31Å; Q441-M445 PolarHBondContact O-N 3.48Å |
| 442 | I | 81.6 | Confident | 82.3 | Confident | 87 Ų | 87 | 103.9 Ų | 103.9 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 174.1 | -69 | 167.3 | 0 | 0 | 0 | 110.5 | L438 L439 Q444 M445 E446 | L438-I442 WeakPolarHBondContact O-CG1 3.25Å; L438-I442 PolarHBondContact O-N 3.3Å; L439-I442 PolarHBondContact O-N 3.01Å; I442-Q444 VanDerWaalsContact C-N 3.28Å; I442-Q444 PolarHBondContact O-N 3.48Å; I442-M445 PolarHBondContact O-N 3.04Å; I442-E446 HydrophobicContact CG2-CG 4.33Å; I442-E446 WeakPolarHBondContact O-CG 3.41Å; I442-E446 PolarHBondContact O-N 3.2Å |
| 443 | V | 81.4 | Confident | 82.7 | Confident | 72 Ų | 72 | 105.4 Ų | 105.4 | 44% | 0.436 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | L439 T440 N447 | L439-V443 WeakPolarHBondContact O-CG2 3.28Å; L439-V443 PolarHBondContact O-N 2.82Å; T440-V443 PolarHBondContact O-N 3.49Å; V443-N447 WeakPolarHBondContact O-CB 3.29Å; V443-N447 PolarHBondContact O-N 3.4Å; V443-N447 PolarHBondContact O-ND2 2.85Å |
| 444 | Q | 85.3 | Confident | 82.8 | Confident | 120 Ų | 120 | 108.1 Ų | 108.1 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.7 | -46.7 | 173.8 | -75.8 | 174.8 | -2.1 | 0 | 0 | 111.4 | T440 Q441 I442 N447 E448 | T440-Q444 WeakPolarHBondContact O-CG 3.27Å; T440-Q444 PolarHBondContact O-N 2.89Å; Q441-Q444 PolarHBondContact O-N 2.72Å; I442-Q444 VanDerWaalsContact C-N 3.28Å; I442-Q444 PolarHBondContact O-N 3.48Å; Q444-N447 PolarHBondContact O-N 3.46Å; Q444-E448 PolarHBondContact O-N 2.84Å |
| 445 | M | 79.7 | Confident | 83.1 | Confident | 116 Ų | 116 | 103.7 Ų | 103.7 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 175.9 | -72.3 | -77.9 | -68.7 | 0 | 0 | 112.2 | Q441 I442 N447 E448 I449 | Q441-M445 WeakPolarHBondContact O-CG 3.31Å; Q441-M445 PolarHBondContact O-N 3.48Å; I442-M445 PolarHBondContact O-N 3.04Å; M445-N447 VanDerWaalsContact C-N 3.34Å; M445-N447 PolarHBondContact O-N 3.24Å; M445-E448 PolarHBondContact O-N 3.24Å; M445-I449 VanDerWaalsContact O-CG1 3.25Å; M445-I449 WeakPolarHBondContact O-CG1 3.25Å; M445-I449 PolarHBondContact O-N 3.04Å |
| 446 | E | 81.2 | Confident | 83.5 | Confident | 116 Ų | 116 | 104.5 Ų | 104.5 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 175.7 | -75 | 178.6 | 165 | 0 | 0 | 112.1 | I442 I449 A450 | I442-E446 HydrophobicContact CG2-CG 4.33Å; I442-E446 WeakPolarHBondContact O-CG 3.41Å; I442-E446 PolarHBondContact O-N 3.2Å; E446-I449 PolarHBondContact O-N 3.16Å; E446-A450 WeakPolarHBondContact O-CB 3.21Å; E446-A450 PolarHBondContact O-N 3.4Å |
| 447 | N | 84.3 | Confident | 83.8 | Confident | 104 Ų | 104 | 99.8 Ų | 99.8 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.9 | -37.8 | 174.7 | -83 | -58.9 | 0 | 0 | 0 | 112.4 | V443 Q444 M445 A450 K451 | V443-N447 WeakPolarHBondContact O-CB 3.29Å; V443-N447 PolarHBondContact O-N 3.4Å; V443-N447 PolarHBondContact O-ND2 2.85Å; Q444-N447 PolarHBondContact O-N 3.46Å; M445-N447 VanDerWaalsContact C-N 3.34Å; M445-N447 PolarHBondContact O-N 3.24Å; N447-A450 PolarHBondContact O-N 2.95Å; N447-K451 VanDerWaalsContact O-CB 3.3Å; N447-K451 WeakPolarHBondContact O-CB 3.48Å; N447-K451 PolarHBondContact O-N 3.35Å |
| 448 | E | 84.6 | Confident | 84 | Confident | 125 Ų | 125 | 100.4 Ų | 100.4 | 58% | 0.584 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 173.4 | -73.5 | -168.4 | 164.6 | 0 | 0 | 111.3 | Q444 M445 A450 K451 D452 | Q444-E448 PolarHBondContact O-N 2.84Å; M445-E448 PolarHBondContact O-N 3.24Å; E448-A450 PolarHBondContact O-N 3.43Å; E448-K451 WeakPolarHBondContact O-CB 3.49Å; E448-K451 PolarHBondContact O-N 3.46Å; E448-D452 PolarHBondContact O-N 2.91Å |
| 449 | I | 83.4 | Confident | 84.3 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 174.2 | -68.4 | 165.4 | 0 | 0 | 0 | 110.8 | M445 E446 K451 D452 E453 | M445-I449 VanDerWaalsContact O-CG1 3.25Å; M445-I449 WeakPolarHBondContact O-CG1 3.25Å; M445-I449 PolarHBondContact O-N 3.04Å; E446-I449 PolarHBondContact O-N 3.16Å; I449-K451 VanDerWaalsContact C-N 3.27Å; I449-K451 PolarHBondContact O-N 3.09Å; I449-D452 PolarHBondContact O-N 3.34Å; I449-E453 HydrophobicContact CG2-CG 4.36Å; I449-E453 WeakPolarHBondContact O-CB 3.32Å; I449-E453 WeakPolarHBondContact O-CG 3.33Å; I449-E453 PolarHBondContact O-N 3.23Å |
| 450 | A | 83.7 | Confident | 84.8 | Confident | 46 Ų | 46 | 104.4 Ų | 104.4 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | E446 N447 E448 L454 | E446-A450 WeakPolarHBondContact O-CB 3.21Å; E446-A450 PolarHBondContact O-N 3.4Å; N447-A450 PolarHBondContact O-N 2.95Å; E448-A450 PolarHBondContact O-N 3.43Å; A450-L454 WeakPolarHBondContact O-CB 3.34Å; A450-L454 PolarHBondContact O-N 2.95Å |
| 451 | K | 86.6 | Confident | 85.1 | Confident | 165 Ų | 165 | 103.5 Ų | 103.5 | 72% | 0.717 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.1 | -39.6 | 177.4 | -155.5 | 177.1 | -172.5 | -178.9 | 0 | 111.5 | N447 E448 I449 L454 G455 | N447-K451 VanDerWaalsContact O-CB 3.3Å; N447-K451 WeakPolarHBondContact O-CB 3.48Å; N447-K451 PolarHBondContact O-N 3.35Å; E448-K451 WeakPolarHBondContact O-CB 3.49Å; E448-K451 PolarHBondContact O-N 3.46Å; I449-K451 VanDerWaalsContact C-N 3.27Å; I449-K451 PolarHBondContact O-N 3.09Å; K451-L454 PolarHBondContact O-N 3.34Å; K451-G455 PolarHBondContact O-N 3.2Å |
| 452 | D | 86.6 | Confident | 85.4 | Confident | 116 Ų | 116 | 103.9 Ų | 103.9 | 62% | 0.62 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.6 | -39.6 | 174.7 | -76.8 | -15.2 | 0 | 0 | 0 | 112 | E448 I449 L454 G455 V456 | E448-D452 PolarHBondContact O-N 2.91Å; I449-D452 PolarHBondContact O-N 3.34Å; D452-L454 PolarHBondContact O-N 2.84Å; D452-G455 CarbonylContact O-C 3.47Å; D452-G455 WeakPolarHBondContact O-CA 3.36Å; D452-G455 PolarHBondContact O-N 2.97Å; D452-G455 VanDerWaalsContact O-N 3.15Å; D452-V456 WeakPolarHBondContact O-CG2 3.45Å; D452-V456 PolarHBondContact O-N 3.05Å |
| 453 | E | 86.9 | Confident | 85.7 | Confident | 130 Ų | 130 | 104.9 Ų | 104.9 | 61% | 0.607 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 173 | -76.6 | -175.5 | 167 | 0 | 0 | 111.9 | I449 G455 V456 A457 | I449-E453 HydrophobicContact CG2-CG 4.36Å; I449-E453 WeakPolarHBondContact O-CB 3.32Å; I449-E453 WeakPolarHBondContact O-CG 3.33Å; I449-E453 PolarHBondContact O-N 3.23Å; E453-G455 VanDerWaalsContact C-N 3.32Å; E453-G455 PolarHBondContact O-N 2.86Å; E453-V456 PolarHBondContact O-N 3.35Å; E453-A457 WeakPolarHBondContact O-CB 3.3Å; E453-A457 PolarHBondContact O-N 3.38Å |
| 454 | L | 84.7 | Confident | 86.2 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.4 | -40 | 173.7 | -132.2 | 162.3 | 0 | 0 | 0 | 110.8 | A450 K451 D452 A457 H458 | A450-L454 WeakPolarHBondContact O-CB 3.34Å; A450-L454 PolarHBondContact O-N 2.95Å; K451-L454 PolarHBondContact O-N 3.34Å; D452-L454 PolarHBondContact O-N 2.84Å; L454-A457 PolarHBondContact O-N 2.82Å; L454-H458 WeakPolarHBondContact O-CB 2.98Å; L454-H458 PolarHBondContact O-N 3.09Å |
| 455 | G | 88.7 | Confident | 86.3 | Confident | 34 Ų | 34 | 108.7 Ų | 108.7 | 35% | 0.351 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.9 | -47.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K451 D452 E453 H458 K459 | K451-G455 PolarHBondContact O-N 3.2Å; D452-G455 CarbonylContact O-C 3.47Å; D452-G455 WeakPolarHBondContact O-CA 3.36Å; D452-G455 PolarHBondContact O-N 2.97Å; D452-G455 VanDerWaalsContact O-N 3.15Å; E453-G455 VanDerWaalsContact C-N 3.32Å; E453-G455 PolarHBondContact O-N 2.86Å; G455-H458 PolarHBondContact O-N 3.44Å; G455-K459 VanDerWaalsContact O-CG 3.32Å; G455-K459 WeakPolarHBondContact O-CG 3.38Å; G455-K459 PolarHBondContact O-N 3.19Å |
| 456 | V | 84.9 | Confident | 86.7 | Confident | 80 Ų | 80 | 108.1 Ų | 108.1 | 49% | 0.485 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -43.9 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | D452 E453 H458 K459 K460 | D452-V456 WeakPolarHBondContact O-CG2 3.45Å; D452-V456 PolarHBondContact O-N 3.05Å; E453-V456 PolarHBondContact O-N 3.35Å; V456-H458 VanDerWaalsContact C-N 3.34Å; V456-H458 PolarHBondContact O-N 3.31Å; V456-K459 PolarHBondContact O-N 2.94Å; V456-K460 HydrophobicContact CG1-CD 4.22Å; V456-K460 HydrophobicContact CG1-CG 4.46Å; V456-K460 WeakPolarHBondContact O-CB 3.37Å; V456-K460 WeakPolarHBondContact O-CG 3.49Å; V456-K460 PolarHBondContact O-N 2.83Å |
| 457 | A | 86.7 | Confident | 87.1 | Confident | 56 Ų | 56 | 109.5 Ų | 109.5 | 46% | 0.463 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.5 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E453 L454 K460 A461 | E453-A457 WeakPolarHBondContact O-CB 3.3Å; E453-A457 PolarHBondContact O-N 3.38Å; L454-A457 PolarHBondContact O-N 2.82Å; A457-K460 PolarHBondContact O-N 2.87Å; A457-A461 WeakPolarHBondContact O-CB 3.33Å; A457-A461 PolarHBondContact O-N 3.47Å |
| 458 | H | 86.9 | Confident | 87.3 | Confident | 142 Ų | 142 | 109 Ų | 109 | 66% | 0.657 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.2 | -40.3 | 178.2 | -159.2 | 43.9 | 0 | 0 | 0 | 112 | L454 G455 V456 A461 K462 | L454-H458 WeakPolarHBondContact O-CB 2.98Å; L454-H458 PolarHBondContact O-N 3.09Å; G455-H458 PolarHBondContact O-N 3.44Å; V456-H458 VanDerWaalsContact C-N 3.34Å; V456-H458 PolarHBondContact O-N 3.31Å; H458-A461 PolarHBondContact O-N 3.45Å; H458-K462 WeakPolarHBondContact O-CB 3.31Å; H458-K462 PolarHBondContact O-N 3.28Å |
| 459 | K | 88.3 | Confident | 87.4 | Confident | 141 Ų | 141 | 109 Ų | 109 | 61% | 0.613 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.1 | -39.3 | 173.9 | -67.5 | -63.9 | -178.1 | -179.1 | 0 | 112.5 | G455 V456 K462 N463 | G455-K459 VanDerWaalsContact O-CG 3.32Å; G455-K459 WeakPolarHBondContact O-CG 3.38Å; G455-K459 PolarHBondContact O-N 3.19Å; V456-K459 PolarHBondContact O-N 2.94Å; K459-K462 PolarHBondContact O-N 3.3Å; K459-N463 PolarHBondContact O-N 2.95Å |
| 460 | K | 89.6 | Confident | 87.7 | Confident | 148 Ų | 148 | 108.2 Ų | 108.2 | 64% | 0.643 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 173.7 | -80.2 | -177.9 | 178.5 | 178 | 0 | 111.9 | V456 A457 K462 N463 K464 | V456-K460 HydrophobicContact CG1-CD 4.22Å; V456-K460 HydrophobicContact CG1-CG 4.46Å; V456-K460 WeakPolarHBondContact O-CB 3.37Å; V456-K460 WeakPolarHBondContact O-CG 3.49Å; V456-K460 PolarHBondContact O-N 2.83Å; A457-K460 PolarHBondContact O-N 2.87Å; K460-K462 VanDerWaalsContact C-N 3.34Å; K460-K462 PolarHBondContact O-N 3.27Å; K460-N463 PolarHBondContact O-N 2.99Å; K460-K464 PolarHBondContact O-N 3.4Å |
| 461 | A | 88 | Confident | 88 | Confident | 55 Ų | 55 | 108.6 Ų | 108.6 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | A457 H458 K464 Q465 | A457-A461 WeakPolarHBondContact O-CB 3.33Å; A457-A461 PolarHBondContact O-N 3.47Å; H458-A461 PolarHBondContact O-N 3.45Å; A461-K464 PolarHBondContact O-N 3.16Å; A461-Q465 PolarHBondContact O-N 3.48Å |
| 462 | K | 89.6 | Confident | 88 | Confident | 112 Ų | 112 | 105.9 Ų | 105.9 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 176.3 | -169.1 | 177 | -179.9 | 174.9 | 0 | 112.6 | H458 K459 K460 K464 Q465 Q466 | H458-K462 WeakPolarHBondContact O-CB 3.31Å; H458-K462 PolarHBondContact O-N 3.28Å; K459-K462 PolarHBondContact O-N 3.3Å; K460-K462 VanDerWaalsContact C-N 3.34Å; K460-K462 PolarHBondContact O-N 3.27Å; K462-K464 VanDerWaalsContact C-N 3.34Å; K462-K464 PolarHBondContact O-N 3.24Å; K462-Q465 PolarHBondContact O-N 3.4Å; K462-Q466 PolarHBondContact O-N 3.05Å |
| 463 | N | 89 | Confident | 88 | Confident | 108 Ų | 108 | 104.5 Ų | 104.5 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 175 | -101.3 | -4.7 | 0 | 0 | 0 | 111.6 | K459 K460 Q466 Q467 | K459-N463 PolarHBondContact O-N 2.95Å; K460-N463 PolarHBondContact O-N 2.99Å; N463-Q466 PolarHBondContact O-N 3.41Å; N463-Q467 WeakPolarHBondContact O-CB 3.34Å; N463-Q467 PolarHBondContact O-N 3.3Å |
| 464 | K | 90.9 | Very high | 88.1 | Confident | 134 Ų | 134 | 104 Ų | 104 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.8 | -45.8 | 176.2 | -170.2 | 179.4 | 177.8 | -172.8 | 0 | 111.6 | K460 A461 K462 Q466 Q467 E468 | K460-K464 PolarHBondContact O-N 3.4Å; A461-K464 PolarHBondContact O-N 3.16Å; K462-K464 VanDerWaalsContact C-N 3.34Å; K462-K464 PolarHBondContact O-N 3.24Å; K464-Q466 VanDerWaalsContact C-N 3.33Å; K464-Q466 PolarHBondContact O-N 2.99Å; K464-Q467 PolarHBondContact O-N 3.14Å; K464-E468 VanDerWaalsContact CE-OE1 3.26Å; K464-E468 WeakPolarHBondContact CE-OE1 3.34Å; K464-E468 WeakPolarHBondContact O-CG 3.45Å; K464-E468 PolarHBondContact O-N 3.46Å |
| 465 | Q | 88.6 | Confident | 88.3 | Confident | 138 Ų | 138 | 106.7 Ų | 106.7 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.6 | -42.7 | 173.8 | -100.4 | -174.2 | -14.6 | 0 | 0 | 112.5 | A461 K462 Q467 K469 | A461-Q465 PolarHBondContact O-N 3.48Å; K462-Q465 PolarHBondContact O-N 3.4Å; Q465-Q467 VanDerWaalsContact C-N 3.34Å; Q465-K469 WeakPolarHBondContact O-CB 3.37Å; Q465-K469 PolarHBondContact O-N 3.22Å |
| 466 | Q | 88.5 | Confident | 88.2 | Confident | 104 Ų | 104 | 110.6 Ų | 110.6 | 49% | 0.486 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.7 | -34.9 | 177.4 | -87.2 | 168.1 | -55.1 | 0 | 0 | 112.2 | K462 N463 K464 K469 V470 | K462-Q466 PolarHBondContact O-N 3.05Å; N463-Q466 PolarHBondContact O-N 3.41Å; K464-Q466 VanDerWaalsContact C-N 3.33Å; K464-Q466 PolarHBondContact O-N 2.99Å; Q466-K469 WeakPolarHBondContact O-CB 3.43Å; Q466-K469 PolarHBondContact O-N 2.94Å; Q466-V470 VanDerWaalsContact O-CG2 3.26Å; Q466-V470 WeakPolarHBondContact O-CG2 3.41Å; Q466-V470 PolarHBondContact O-N 2.89Å |
| 467 | Q | 88.9 | Confident | 88.3 | Confident | 146 Ų | 146 | 111.3 Ų | 111.3 | 68% | 0.682 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.9 | -38.1 | 177.4 | -157.7 | 149 | 8.2 | 0 | 0 | 112.1 | N463 K464 Q465 V470 S471 | N463-Q467 WeakPolarHBondContact O-CB 3.34Å; N463-Q467 PolarHBondContact O-N 3.3Å; K464-Q467 PolarHBondContact O-N 3.14Å; Q465-Q467 VanDerWaalsContact C-N 3.34Å; Q467-V470 PolarHBondContact O-N 2.67Å; Q467-S471 PolarHBondContact O-N 2.86Å; Q467-S471 PolarHBondContact O-OG 3.47Å |
| 468 | E | 88.4 | Confident | 88.5 | Confident | 92 Ų | 92 | 113.4 Ų | 113.4 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 169.1 | -74 | 168.8 | -177.7 | 0 | 0 | 110.5 | K464 V470 S471 E472 | K464-E468 VanDerWaalsContact CE-OE1 3.26Å; K464-E468 WeakPolarHBondContact CE-OE1 3.34Å; K464-E468 WeakPolarHBondContact O-CG 3.45Å; K464-E468 PolarHBondContact O-N 3.46Å; E468-V470 VanDerWaalsContact C-N 3.34Å; E468-V470 PolarHBondContact O-N 3.3Å; E468-S471 WeakPolarHBondContact CA-OG 3.36Å; E468-S471 PolarHBondContact O-N 3.46Å; E468-S471 VanDerWaalsContact O-N 3.13Å; E468-S471 PolarHBondContact O-OG 2.92Å; E468-E472 PolarHBondContact O-N 3.47Å |
| 469 | K | 87.9 | Confident | 88.7 | Confident | 127 Ų | 127 | 111.5 Ų | 111.5 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.3 | -41.8 | 176.3 | -158.8 | 79.1 | -179.1 | 169 | 0 | 112.6 | Q465 Q466 E472 L473 | Q465-K469 WeakPolarHBondContact O-CB 3.37Å; Q465-K469 PolarHBondContact O-N 3.22Å; Q466-K469 WeakPolarHBondContact O-CB 3.43Å; Q466-K469 PolarHBondContact O-N 2.94Å; K469-E472 PolarHBondContact O-N 3.3Å; K469-L473 VanDerWaalsContact O-CG 3.32Å; K469-L473 WeakPolarHBondContact O-CG 3.33Å; K469-L473 PolarHBondContact O-N 3.19Å |
| 470 | V | 87.9 | Confident | 88.6 | Confident | 74 Ų | 74 | 108.2 Ų | 108.2 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | Q466 Q467 E468 E472 L473 E474 | Q466-V470 VanDerWaalsContact O-CG2 3.26Å; Q466-V470 WeakPolarHBondContact O-CG2 3.41Å; Q466-V470 PolarHBondContact O-N 2.89Å; Q467-V470 PolarHBondContact O-N 2.67Å; E468-V470 VanDerWaalsContact C-N 3.34Å; E468-V470 PolarHBondContact O-N 3.3Å; V470-E472 VanDerWaalsContact C-N 3.33Å; V470-E472 PolarHBondContact O-N 2.83Å; V470-L473 PolarHBondContact O-N 3.25Å; V470-E474 HydrophobicContact CG1-CG 4.4Å; V470-E474 WeakPolarHBondContact O-CG 3.39Å; V470-E474 PolarHBondContact O-N 3.36Å |
| 471 | S | 89.9 | Confident | 88.5 | Confident | 53 Ų | 53 | 105 Ų | 105 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -32.1 | 178.2 | 72 | 0 | 0 | 0 | 0 | 113.8 | Q467 E468 R475 | Q467-S471 PolarHBondContact O-N 2.86Å; Q467-S471 PolarHBondContact O-OG 3.47Å; E468-S471 WeakPolarHBondContact CA-OG 3.36Å; E468-S471 PolarHBondContact O-N 3.46Å; E468-S471 VanDerWaalsContact O-N 3.13Å; E468-S471 PolarHBondContact O-OG 2.92Å; S471-R475 PolarHBondContact O-N 3.26Å; S471-R475 VanDerWaalsContact O-N 3.11Å |
| 472 | E | 88.2 | Confident | 88.6 | Confident | 108 Ų | 108 | 107.5 Ų | 107.5 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 171.4 | -75.8 | 175.8 | 169.7 | 0 | 0 | 110.8 | E468 K469 V470 R475 E476 | E468-E472 PolarHBondContact O-N 3.47Å; K469-E472 PolarHBondContact O-N 3.3Å; V470-E472 VanDerWaalsContact C-N 3.33Å; V470-E472 PolarHBondContact O-N 2.83Å; E472-R475 WeakPolarHBondContact O-CB 3.35Å; E472-R475 PolarHBondContact O-N 2.96Å; E472-E476 WeakPolarHBondContact O-CG 3.42Å; E472-E476 PolarHBondContact O-N 3.39Å |
| 473 | L | 86.5 | Confident | 88.6 | Confident | 88 Ų | 88 | 107 Ų | 107 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 177.9 | -71.6 | 171 | 0 | 0 | 0 | 112.4 | K469 V470 R475 E476 I477 | K469-L473 VanDerWaalsContact O-CG 3.32Å; K469-L473 WeakPolarHBondContact O-CG 3.33Å; K469-L473 PolarHBondContact O-N 3.19Å; V470-L473 PolarHBondContact O-N 3.25Å; L473-R475 VanDerWaalsContact C-N 3.34Å; L473-E476 PolarHBondContact O-N 3.45Å; L473-I477 VanDerWaalsContact O-CG1 3.25Å; L473-I477 WeakPolarHBondContact O-CG1 3.5Å; L473-I477 PolarHBondContact O-N 2.92Å |
| 474 | E | 89.1 | Confident | 88.5 | Confident | 118 Ų | 118 | 105.7 Ų | 105.7 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 173.7 | -75.7 | 175.3 | 168.5 | 0 | 0 | 111.3 | V470 E476 I477 D478 | V470-E474 HydrophobicContact CG1-CG 4.4Å; V470-E474 WeakPolarHBondContact O-CG 3.39Å; V470-E474 PolarHBondContact O-N 3.36Å; E474-E476 PolarHBondContact O-N 3.46Å; E474-I477 PolarHBondContact O-N 2.9Å; E474-D478 PolarHBondContact O-N 2.95Å |
| 475 | R | 88.5 | Confident | 88.5 | Confident | 183 Ų | 183 | 103.5 Ų | 103.5 | 69% | 0.691 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 173.5 | -98.3 | -175.6 | 167.4 | 136.9 | -1.6 | 113.2 | S471 E472 L473 I477 D478 N479 | S471-R475 PolarHBondContact O-N 3.26Å; S471-R475 VanDerWaalsContact O-N 3.11Å; E472-R475 WeakPolarHBondContact O-CB 3.35Å; E472-R475 PolarHBondContact O-N 2.96Å; L473-R475 VanDerWaalsContact C-N 3.34Å; R475-I477 VanDerWaalsContact C-N 3.35Å; R475-D478 PolarHBondContact O-N 2.85Å; R475-N479 WeakPolarHBondContact O-CB 3.31Å; R475-N479 PolarHBondContact O-N 3.16Å; R475-N479 PolarHBondContact O-ND2 2.91Å; R475-N479 VanDerWaalsContact O-ND2 3.16Å |
| 476 | E | 86.2 | Confident | 88.4 | Confident | 116 Ų | 116 | 103.7 Ų | 103.7 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 174.9 | -74.9 | 177.9 | -177.1 | 0 | 0 | 110.7 | E472 L473 E474 N479 T480 | E472-E476 WeakPolarHBondContact O-CG 3.42Å; E472-E476 PolarHBondContact O-N 3.39Å; L473-E476 PolarHBondContact O-N 3.45Å; E474-E476 PolarHBondContact O-N 3.46Å; E476-N479 PolarHBondContact O-N 3.18Å; E476-T480 VanDerWaalsContact O-CG2 3.3Å; E476-T480 WeakPolarHBondContact O-CG2 3.43Å; E476-T480 PolarHBondContact O-N 3.02Å; E476-T480 PolarHBondContact O-OG1 3.3Å |
| 477 | I | 87.5 | Confident | 88.3 | Confident | 95 Ų | 95 | 102.6 Ų | 102.6 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 175.4 | -70 | 165.7 | 0 | 0 | 0 | 110.5 | L473 E474 R475 N479 T480 N481 | L473-I477 VanDerWaalsContact O-CG1 3.25Å; L473-I477 WeakPolarHBondContact O-CG1 3.5Å; L473-I477 PolarHBondContact O-N 2.92Å; E474-I477 PolarHBondContact O-N 2.9Å; R475-I477 VanDerWaalsContact C-N 3.35Å; I477-N479 VanDerWaalsContact C-N 3.35Å; I477-N479 PolarHBondContact O-N 3.29Å; I477-T480 WeakPolarHBondContact CA-OG1 3.38Å; I477-T480 PolarHBondContact O-N 3.17Å; I477-T480 PolarHBondContact O-OG1 3.23Å; I477-N481 WeakPolarHBondContact O-CB 3.43Å; I477-N481 PolarHBondContact O-N 3.3Å; I477-N481 PolarHBondContact O-ND2 3.03Å |
| 478 | D | 90.5 | Very high | 88.1 | Confident | 99 Ų | 99 | 101.1 Ų | 101.1 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 178.3 | -74.9 | -18.4 | 0 | 0 | 0 | 112.5 | E474 R475 N481 L482 | E474-D478 PolarHBondContact O-N 2.95Å; R475-D478 PolarHBondContact O-N 2.85Å; D478-N481 PolarHBondContact O-N 3.22Å; D478-L482 WeakPolarHBondContact O-CG 3.37Å; D478-L482 PolarHBondContact O-N 3.14Å |
| 479 | N | 90.1 | Very high | 88.1 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 175.9 | -73.8 | -28.8 | 0 | 0 | 0 | 111.9 | R475 E476 I477 L482 L483 | R475-N479 WeakPolarHBondContact O-CB 3.31Å; R475-N479 PolarHBondContact O-N 3.16Å; R475-N479 PolarHBondContact O-ND2 2.91Å; R475-N479 VanDerWaalsContact O-ND2 3.16Å; E476-N479 PolarHBondContact O-N 3.18Å; I477-N479 VanDerWaalsContact C-N 3.35Å; I477-N479 PolarHBondContact O-N 3.29Å; N479-L482 PolarHBondContact O-N 2.93Å; N479-L483 PolarHBondContact O-N 3.36Å |
| 480 | T | 86.1 | Confident | 88 | Confident | 72 Ų | 72 | 98 Ų | 98 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 175.5 | 57.8 | 0 | 0 | 0 | 0 | 111.8 | E476 I477 L483 I484 | E476-T480 VanDerWaalsContact O-CG2 3.3Å; E476-T480 WeakPolarHBondContact O-CG2 3.43Å; E476-T480 PolarHBondContact O-N 3.02Å; E476-T480 PolarHBondContact O-OG1 3.3Å; I477-T480 WeakPolarHBondContact CA-OG1 3.38Å; I477-T480 PolarHBondContact O-N 3.17Å; I477-T480 PolarHBondContact O-OG1 3.23Å; T480-L483 WeakPolarHBondContact O-CB 3.43Å; T480-L483 PolarHBondContact O-N 3.48Å; T480-I484 VanDerWaalsContact O-CG1 3.23Å; T480-I484 WeakPolarHBondContact O-CG1 3.46Å; T480-I484 PolarHBondContact O-N 3.43Å |
| 481 | N | 89.3 | Confident | 87.8 | Confident | 79 Ų | 79 | 99.1 Ų | 99.1 | 42% | 0.422 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 175 | -74.4 | -29.3 | 0 | 0 | 0 | 111.7 | I477 D478 L483 I484 T485 | I477-N481 WeakPolarHBondContact O-CB 3.43Å; I477-N481 PolarHBondContact O-N 3.3Å; I477-N481 PolarHBondContact O-ND2 3.03Å; D478-N481 PolarHBondContact O-N 3.22Å; N481-L483 VanDerWaalsContact C-N 3.28Å; N481-L483 PolarHBondContact O-N 3.39Å; N481-I484 PolarHBondContact O-N 3.03Å; N481-T485 PolarHBondContact O-N 3Å; N481-T485 PolarHBondContact O-OG1 3.27Å |
| 482 | L | 89.3 | Confident | 87.7 | Confident | 109 Ų | 109 | 102.1 Ų | 102.1 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60 | -39 | 173.7 | -79 | 168.5 | 0 | 0 | 0 | 112.3 | D478 N479 K486 | D478-L482 WeakPolarHBondContact O-CG 3.37Å; D478-L482 PolarHBondContact O-N 3.14Å; N479-L482 PolarHBondContact O-N 2.93Å; L482-K486 WeakPolarHBondContact O-CG 3.39Å; L482-K486 PolarHBondContact O-N 2.77Å; L482-K486 VanDerWaalsContact O-N 3.12Å |
| 483 | L | 89.3 | Confident | 87.5 | Confident | 102 Ų | 102 | 103.3 Ų | 103.3 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 175.1 | -175.6 | 64.2 | 0 | 0 | 0 | 111.2 | N479 T480 N481 K486 L487 | N479-L483 PolarHBondContact O-N 3.36Å; T480-L483 WeakPolarHBondContact O-CB 3.43Å; T480-L483 PolarHBondContact O-N 3.48Å; N481-L483 VanDerWaalsContact C-N 3.28Å; N481-L483 PolarHBondContact O-N 3.39Å; L483-K486 PolarHBondContact O-N 3.42Å; L483-L487 HydrophobicContact CG-CD1 4.1Å; L483-L487 HydrophobicContact CG-CG 4.49Å; L483-L487 WeakPolarHBondContact O-CB 3.23Å; L483-L487 VanDerWaalsContact O-CG 3.31Å; L483-L487 WeakPolarHBondContact O-CG 3.38Å; L483-L487 PolarHBondContact O-N 2.95Å |
| 484 | I | 87.6 | Confident | 87.4 | Confident | 79 Ų | 79 | 101.5 Ų | 101.5 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.3 | -48.6 | 175.5 | -70.3 | 163.8 | 0 | 0 | 0 | 110.2 | T480 N481 K486 L487 E488 | T480-I484 VanDerWaalsContact O-CG1 3.23Å; T480-I484 WeakPolarHBondContact O-CG1 3.46Å; T480-I484 PolarHBondContact O-N 3.43Å; N481-I484 PolarHBondContact O-N 3.03Å; I484-K486 VanDerWaalsContact C-N 3.29Å; I484-K486 PolarHBondContact O-N 3.17Å; I484-L487 CarbonylContact O-C 3.52Å; I484-L487 PolarHBondContact O-N 3.23Å; I484-L487 VanDerWaalsContact O-N 3.12Å; I484-E488 HydrophobicContact CG2-CG 4.18Å; I484-E488 WeakPolarHBondContact O-CB 3.48Å; I484-E488 WeakPolarHBondContact O-CG 3.44Å; I484-E488 PolarHBondContact O-N 3.47Å |
| 485 | T | 89.3 | Confident | 87.5 | Confident | 89 Ų | 89 | 100 Ų | 100 | 55% | 0.546 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 178.2 | -53.2 | 0 | 0 | 0 | 0 | 112.4 | N481 G489 | N481-T485 PolarHBondContact O-N 3Å; N481-T485 PolarHBondContact O-OG1 3.27Å; T485-G489 PolarHBondContact O-N 3.14Å |
| 486 | K | 88.1 | Confident | 87.4 | Confident | 141 Ų | 141 | 93.6 Ų | 93.6 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.6 | -47.1 | 173.4 | -75.9 | 178 | -178.2 | 179.4 | 0 | 111.7 | L482 L483 I484 E488 G489 E490 | L482-K486 WeakPolarHBondContact O-CG 3.39Å; L482-K486 PolarHBondContact O-N 2.77Å; L482-K486 VanDerWaalsContact O-N 3.12Å; L483-K486 PolarHBondContact O-N 3.42Å; I484-K486 VanDerWaalsContact C-N 3.29Å; I484-K486 PolarHBondContact O-N 3.17Å; K486-E488 VanDerWaalsContact C-N 3.34Å; K486-E488 PolarHBondContact O-N 2.94Å; K486-G489 PolarHBondContact O-N 3.11Å; K486-E490 WeakPolarHBondContact O-CG 3.38Å; K486-E490 PolarHBondContact O-N 3.39Å |
| 487 | L | 85.4 | Confident | 87.5 | Confident | 81 Ų | 81 | 90.7 Ų | 90.7 | 42% | 0.424 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 178.4 | -69.7 | 172.9 | 0 | 0 | 0 | 111.8 | L483 I484 E490 I491 | L483-L487 HydrophobicContact CG-CD1 4.1Å; L483-L487 HydrophobicContact CG-CG 4.49Å; L483-L487 WeakPolarHBondContact O-CB 3.23Å; L483-L487 VanDerWaalsContact O-CG 3.31Å; L483-L487 WeakPolarHBondContact O-CG 3.38Å; L483-L487 PolarHBondContact O-N 2.95Å; I484-L487 CarbonylContact O-C 3.52Å; I484-L487 PolarHBondContact O-N 3.23Å; I484-L487 VanDerWaalsContact O-N 3.12Å; L487-E490 PolarHBondContact O-N 2.92Å; L487-I491 WeakPolarHBondContact O-CB 3.48Å; L487-I491 WeakPolarHBondContact O-CD1 3.41Å; L487-I491 WeakPolarHBondContact O-CG1 3.36Å; L487-I491 PolarHBondContact O-N 3.2Å |
| 488 | E | 84.9 | Confident | 87.3 | Confident | 116 Ų | 116 | 90.2 Ų | 90.2 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 173.6 | -74.8 | 176.7 | 160.6 | 0 | 0 | 111.7 | I484 K486 I491 H492 | I484-E488 HydrophobicContact CG2-CG 4.18Å; I484-E488 WeakPolarHBondContact O-CB 3.48Å; I484-E488 WeakPolarHBondContact O-CG 3.44Å; I484-E488 PolarHBondContact O-N 3.47Å; K486-E488 VanDerWaalsContact C-N 3.34Å; K486-E488 PolarHBondContact O-N 2.94Å; E488-I491 PolarHBondContact O-N 2.91Å; E488-H492 WeakPolarHBondContact O-CB 3.47Å; E488-H492 PolarHBondContact O-N 3.37Å |
| 489 | G | 87.4 | Confident | 86.9 | Confident | 31 Ų | 31 | 92.3 Ų | 92.3 | 32% | 0.32 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T485 K486 H492 H493 | T485-G489 PolarHBondContact O-N 3.14Å; K486-G489 PolarHBondContact O-N 3.11Å; G489-H492 PolarHBondContact O-N 3.27Å; G489-H493 PolarHBondContact O-CD2 2.92Å; G489-H493 VanDerWaalsContact O-CD2 3.22Å; G489-H493 PolarHBondContact O-N 3.4Å |
| 490 | E | 86.9 | Confident | 86.6 | Confident | 122 Ų | 122 | 95.8 Ų | 95.8 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.4 | -42.4 | 175.2 | -73.3 | 175.5 | -168.9 | 0 | 0 | 111.9 | K486 L487 H492 H493 A494 | K486-E490 WeakPolarHBondContact O-CG 3.38Å; K486-E490 PolarHBondContact O-N 3.39Å; L487-E490 PolarHBondContact O-N 2.92Å; E490-H492 VanDerWaalsContact C-N 3.35Å; E490-H493 PolarHBondContact O-N 2.85Å; E490-A494 VanDerWaalsContact O-CB 3.24Å; E490-A494 WeakPolarHBondContact O-CB 3.45Å; E490-A494 PolarHBondContact O-N 3.18Å |
| 491 | I | 84.2 | Confident | 86.5 | Confident | 98 Ų | 98 | 98.6 Ų | 98.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 174.3 | -71.1 | 164.2 | 0 | 0 | 0 | 110.2 | L487 E488 A494 N495 | L487-I491 WeakPolarHBondContact O-CB 3.48Å; L487-I491 WeakPolarHBondContact O-CD1 3.41Å; L487-I491 WeakPolarHBondContact O-CG1 3.36Å; L487-I491 PolarHBondContact O-N 3.2Å; E488-I491 PolarHBondContact O-N 2.91Å; I491-A494 PolarHBondContact O-N 3.17Å; I491-N495 WeakPolarHBondContact O-CB 3.48Å; I491-N495 PolarHBondContact O-N 3.09Å; I491-N495 PolarHBondContact O-ND2 2.96Å |
| 492 | H | 86.8 | Confident | 86.1 | Confident | 115 Ų | 115 | 99.1 Ų | 99.1 | 53% | 0.532 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.6 | -175.2 | 63.4 | 0 | 0 | 0 | 111.7 | E488 G489 E490 N495 I496 | E488-H492 WeakPolarHBondContact O-CB 3.47Å; E488-H492 PolarHBondContact O-N 3.37Å; G489-H492 PolarHBondContact O-N 3.27Å; E490-H492 VanDerWaalsContact C-N 3.35Å; H492-N495 PolarHBondContact O-N 3.46Å; H492-I496 WeakPolarHBondContact O-CG1 3.43Å; H492-I496 PolarHBondContact O-N 3.32Å |
| 493 | H | 85.4 | Confident | 85.9 | Confident | 134 Ų | 134 | 95.3 Ų | 95.3 | 62% | 0.62 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -39.9 | 173.9 | -76 | -47.2 | 0 | 0 | 0 | 112.8 | G489 E490 I496 S497 | G489-H493 PolarHBondContact O-CD2 2.92Å; G489-H493 VanDerWaalsContact O-CD2 3.22Å; G489-H493 PolarHBondContact O-N 3.4Å; E490-H493 PolarHBondContact O-N 2.85Å; H493-I496 PolarHBondContact O-N 2.91Å; H493-S497 WeakPolarHBondContact O-CB 3.38Å; H493-S497 PolarHBondContact O-N 2.92Å |
| 494 | A | 84.3 | Confident | 85.7 | Confident | 49 Ų | 49 | 95.1 Ų | 95.1 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E490 I491 S497 V498 | E490-A494 VanDerWaalsContact O-CB 3.24Å; E490-A494 WeakPolarHBondContact O-CB 3.45Å; E490-A494 PolarHBondContact O-N 3.18Å; I491-A494 PolarHBondContact O-N 3.17Å; A494-S497 CarbonylContact O-C 3.57Å; A494-S497 WeakPolarHBondContact O-CB 3.48Å; A494-S497 PolarHBondContact O-N 3.43Å; A494-V498 WeakPolarHBondContact O-CB 3.3Å; A494-V498 VanDerWaalsContact O-CG2 3.24Å; A494-V498 WeakPolarHBondContact O-CG2 3.26Å; A494-V498 PolarHBondContact O-N 2.96Å |
| 495 | N | 89.3 | Confident | 85.4 | Confident | 87 Ų | 87 | 94.8 Ų | 94.8 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 176.5 | -75 | -14.9 | 0 | 0 | 0 | 111.9 | I491 H492 S497 V498 E499 | I491-N495 WeakPolarHBondContact O-CB 3.48Å; I491-N495 PolarHBondContact O-N 3.09Å; I491-N495 PolarHBondContact O-ND2 2.96Å; H492-N495 PolarHBondContact O-N 3.46Å; N495-S497 VanDerWaalsContact C-N 3.29Å; N495-S497 PolarHBondContact O-N 2.82Å; N495-V498 CarbonylContact O-C 3.59Å; N495-V498 PolarHBondContact O-N 2.93Å; N495-E499 WeakPolarHBondContact O-CG 3.44Å; N495-E499 PolarHBondContact O-N 3.47Å |
| 496 | I | 87.2 | Confident | 85 | Confident | 48 Ų | 48 | 94 Ų | 94 | 25% | 0.246 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 173.6 | -67.5 | 166.5 | 0 | 0 | 0 | 110.9 | H492 H493 E499 R500 | H492-I496 WeakPolarHBondContact O-CG1 3.43Å; H492-I496 PolarHBondContact O-N 3.32Å; H493-I496 PolarHBondContact O-N 2.91Å; I496-E499 PolarHBondContact O-N 2.89Å; I496-R500 VanDerWaalsContact O-CG 3.31Å; I496-R500 WeakPolarHBondContact O-CG 3.47Å; I496-R500 PolarHBondContact O-N 2.93Å |
| 497 | S | 88 | Confident | 84.9 | Confident | 55 Ų | 55 | 91.8 Ų | 91.8 | 39% | 0.385 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 177 | -170.5 | 0 | 0 | 0 | 0 | 111.7 | H493 A494 N495 R500 K501 | H493-S497 WeakPolarHBondContact O-CB 3.38Å; H493-S497 PolarHBondContact O-N 2.92Å; A494-S497 CarbonylContact O-C 3.57Å; A494-S497 WeakPolarHBondContact O-CB 3.48Å; A494-S497 PolarHBondContact O-N 3.43Å; N495-S497 VanDerWaalsContact C-N 3.29Å; N495-S497 PolarHBondContact O-N 2.82Å; S497-R500 PolarHBondContact O-N 3.01Å; S497-K501 WeakPolarHBondContact O-CB 3.26Å; S497-K501 VanDerWaalsContact O-CG 3.3Å; S497-K501 WeakPolarHBondContact O-CG 3.49Å; S497-K501 PolarHBondContact O-N 3.39Å |
| 498 | V | 83.5 | Confident | 84.7 | Confident | 86 Ų | 86 | 93 Ų | 93 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 174.5 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | A494 N495 R500 K501 Q502 | A494-V498 WeakPolarHBondContact O-CB 3.3Å; A494-V498 VanDerWaalsContact O-CG2 3.24Å; A494-V498 WeakPolarHBondContact O-CG2 3.26Å; A494-V498 PolarHBondContact O-N 2.96Å; N495-V498 CarbonylContact O-C 3.59Å; N495-V498 PolarHBondContact O-N 2.93Å; V498-R500 PolarHBondContact O-N 3.44Å; V498-K501 CarbonylContact O-C 3.6Å; V498-K501 PolarHBondContact O-N 3.49Å; V498-Q502 VanDerWaalsContact O-CB 3.23Å; V498-Q502 WeakPolarHBondContact O-CB 3.43Å; V498-Q502 PolarHBondContact O-N 2.79Å |
| 499 | E | 82.6 | Confident | 84.5 | Confident | 143 Ų | 143 | 91.1 Ų | 91.1 | 67% | 0.668 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | 175.4 | -78.7 | -179.5 | 174.6 | 0 | 0 | 112 | N495 I496 Q502 G503 | N495-E499 WeakPolarHBondContact O-CG 3.44Å; N495-E499 PolarHBondContact O-N 3.47Å; I496-E499 PolarHBondContact O-N 2.89Å; E499-Q502 PolarHBondContact O-N 3.31Å; E499-G503 PolarHBondContact O-N 3.03Å |
| 500 | R | 83.6 | Confident | 84.1 | Confident | 175 Ų | 175 | 95.5 Ų | 95.5 | 66% | 0.66 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 174.4 | -72.5 | 176.2 | -173.4 | 176.4 | 3.3 | 111.7 | I496 S497 V498 G503 N504 | I496-R500 VanDerWaalsContact O-CG 3.31Å; I496-R500 WeakPolarHBondContact O-CG 3.47Å; I496-R500 PolarHBondContact O-N 2.93Å; S497-R500 PolarHBondContact O-N 3.01Å; V498-R500 PolarHBondContact O-N 3.44Å; R500-G503 PolarHBondContact O-N 3.36Å; R500-N504 VanDerWaalsContact O-CG 3.27Å; R500-N504 PolarHBondContact O-N 2.9Å; R500-N504 PolarHBondContact O-ND2 3.14Å |
| 501 | K | 83.3 | Confident | 83.6 | Confident | 132 Ų | 132 | 95.3 Ų | 95.3 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 175.8 | -76.1 | -179.2 | -179.3 | -175.9 | 0 | 111.4 | S497 V498 N504 I505 | S497-K501 WeakPolarHBondContact O-CB 3.26Å; S497-K501 VanDerWaalsContact O-CG 3.3Å; S497-K501 WeakPolarHBondContact O-CG 3.49Å; S497-K501 PolarHBondContact O-N 3.39Å; V498-K501 CarbonylContact O-C 3.6Å; V498-K501 PolarHBondContact O-N 3.49Å; K501-N504 CarbonylContact O-C 3.58Å; K501-N504 WeakPolarHBondContact O-CB 3.34Å; K501-N504 PolarHBondContact O-N 2.92Å; K501-I505 WeakPolarHBondContact O-CB 3.49Å; K501-I505 WeakPolarHBondContact O-CG1 3.49Å; K501-I505 PolarHBondContact O-N 3.19Å |
| 502 | Q | 81.5 | Confident | 83 | Confident | 89 Ų | 89 | 95 Ų | 95 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 176.6 | -170.5 | 62.1 | 40.3 | 0 | 0 | 110.4 | V498 E499 N504 I505 D506 | V498-Q502 VanDerWaalsContact O-CB 3.23Å; V498-Q502 WeakPolarHBondContact O-CB 3.43Å; V498-Q502 PolarHBondContact O-N 2.79Å; E499-Q502 PolarHBondContact O-N 3.31Å; Q502-N504 VanDerWaalsContact C-N 3.32Å; Q502-N504 PolarHBondContact O-N 3.45Å; Q502-I505 CarbonylContact O-C 3.46Å; Q502-I505 WeakPolarHBondContact O-CB 3.4Å; Q502-I505 PolarHBondContact O-N 2.92Å; Q502-I505 VanDerWaalsContact O-N 3.14Å; Q502-D506 PolarHBondContact NE2-OD1 2.97Å; Q502-D506 VanDerWaalsContact NE2-OD1 3.14Å; Q502-D506 PolarHBondContact O-N 2.82Å |
| 503 | G | 84.5 | Confident | 82.4 | Confident | 30 Ų | 30 | 95.7 Ų | 95.7 | 31% | 0.309 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E499 R500 D506 I507 | E499-G503 PolarHBondContact O-N 3.03Å; R500-G503 PolarHBondContact O-N 3.36Å; G503-D506 PolarHBondContact O-N 3.34Å; G503-I507 WeakPolarHBondContact O-CD1 3.4Å; G503-I507 VanDerWaalsContact O-CG1 3.24Å; G503-I507 WeakPolarHBondContact O-CG1 3.3Å; G503-I507 PolarHBondContact O-N 3.41Å |
| 504 | N | 85.5 | Confident | 81.9 | Confident | 97 Ų | 97 | 97 Ų | 97 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 172.7 | -72.3 | -20.6 | 0 | 0 | 0 | 112.2 | R500 K501 Q502 I507 L508 | R500-N504 VanDerWaalsContact O-CG 3.27Å; R500-N504 PolarHBondContact O-N 2.9Å; R500-N504 PolarHBondContact O-ND2 3.14Å; K501-N504 CarbonylContact O-C 3.58Å; K501-N504 WeakPolarHBondContact O-CB 3.34Å; K501-N504 PolarHBondContact O-N 2.92Å; Q502-N504 VanDerWaalsContact C-N 3.32Å; Q502-N504 PolarHBondContact O-N 3.45Å; N504-I507 PolarHBondContact O-N 3.38Å; N504-L508 WeakPolarHBondContact O-CB 3.35Å; N504-L508 VanDerWaalsContact O-CG 3.26Å; N504-L508 WeakPolarHBondContact O-CG 3.43Å; N504-L508 PolarHBondContact O-N 3.44Å |
| 505 | I | 81.6 | Confident | 81.2 | Confident | 73 Ų | 73 | 99.6 Ų | 99.6 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 174.2 | -72 | 163.2 | 0 | 0 | 0 | 109.9 | K501 Q502 I507 L508 N509 | K501-I505 WeakPolarHBondContact O-CB 3.49Å; K501-I505 WeakPolarHBondContact O-CG1 3.49Å; K501-I505 PolarHBondContact O-N 3.19Å; Q502-I505 CarbonylContact O-C 3.46Å; Q502-I505 WeakPolarHBondContact O-CB 3.4Å; Q502-I505 PolarHBondContact O-N 2.92Å; Q502-I505 VanDerWaalsContact O-N 3.14Å; I505-I507 VanDerWaalsContact C-N 3.34Å; I505-I507 PolarHBondContact O-N 2.76Å; I505-L508 CarbonylContact O-C 3.54Å; I505-L508 PolarHBondContact O-N 3.39Å; I505-L508 VanDerWaalsContact O-N 3.16Å; I505-N509 WeakPolarHBondContact CG2-ND2 3.42Å; I505-N509 VanDerWaalsContact O-CB 3.31Å; I505-N509 WeakPolarHBondContact O-CB 3.38Å; I505-N509 VanDerWaalsContact O-CG 3.23Å; I505-N509 PolarHBondContact O-N 3.49Å |
| 506 | D | 82.3 | Confident | 80.2 | Confident | 72 Ų | 72 | 97.6 Ų | 97.6 | 39% | 0.385 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 178.4 | -65.4 | -16.5 | 0 | 0 | 0 | 111.6 | Q502 G503 K510 | Q502-D506 PolarHBondContact NE2-OD1 2.97Å; Q502-D506 VanDerWaalsContact NE2-OD1 3.14Å; Q502-D506 PolarHBondContact O-N 2.82Å; G503-D506 PolarHBondContact O-N 3.34Å; D506-K510 WeakPolarHBondContact O-CB 3.47Å; D506-K510 WeakPolarHBondContact O-CG 3.26Å; D506-K510 PolarHBondContact O-N 3.5Å |
| 507 | I | 84.8 | Confident | 79.3 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 172.2 | -68.8 | 163.9 | 0 | 0 | 0 | 110.6 | G503 N504 I505 K510 K511 | G503-I507 WeakPolarHBondContact O-CD1 3.4Å; G503-I507 VanDerWaalsContact O-CG1 3.24Å; G503-I507 WeakPolarHBondContact O-CG1 3.3Å; G503-I507 PolarHBondContact O-N 3.41Å; N504-I507 PolarHBondContact O-N 3.38Å; I505-I507 VanDerWaalsContact C-N 3.34Å; I505-I507 PolarHBondContact O-N 2.76Å; I507-K510 PolarHBondContact O-N 3.14Å; I507-K511 WeakPolarHBondContact O-CG 3.43Å; I507-K511 PolarHBondContact O-N 2.96Å |
| 508 | L | 80.7 | Confident | 78.4 | Confident | 106 Ų | 106 | 105.7 Ų | 105.7 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68 | -40.3 | 178 | -73.5 | 168.5 | 0 | 0 | 0 | 111.7 | N504 I505 K511 L512 | N504-L508 WeakPolarHBondContact O-CB 3.35Å; N504-L508 VanDerWaalsContact O-CG 3.26Å; N504-L508 WeakPolarHBondContact O-CG 3.43Å; N504-L508 PolarHBondContact O-N 3.44Å; I505-L508 CarbonylContact O-C 3.54Å; I505-L508 PolarHBondContact O-N 3.39Å; I505-L508 VanDerWaalsContact O-N 3.16Å; L508-K511 CarbonylContact O-C 3.54Å; L508-K511 WeakPolarHBondContact O-CB 3.35Å; L508-K511 PolarHBondContact O-N 2.93Å; L508-K511 VanDerWaalsContact O-N 3.15Å; L508-L512 WeakPolarHBondContact O-CB 3.34Å; L508-L512 PolarHBondContact O-N 3.4Å |
| 509 | N | 80.7 | Confident | 77.2 | Confident | 77 Ų | 77 | 103.9 Ų | 103.9 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 174.8 | -74.8 | -14.3 | 0 | 0 | 0 | 110.7 | I505 K511 L512 E513 | I505-N509 WeakPolarHBondContact CG2-ND2 3.42Å; I505-N509 VanDerWaalsContact O-CB 3.31Å; I505-N509 WeakPolarHBondContact O-CB 3.38Å; I505-N509 VanDerWaalsContact O-CG 3.23Å; I505-N509 PolarHBondContact O-N 3.49Å; N509-K511 VanDerWaalsContact C-N 3.29Å; N509-K511 PolarHBondContact O-N 3.31Å; N509-L512 CarbonylContact O-C 3.56Å; N509-L512 WeakPolarHBondContact O-CB 3.34Å; N509-L512 PolarHBondContact O-N 3.33Å; N509-L512 VanDerWaalsContact O-N 3.13Å; N509-E513 WeakPolarHBondContact O-CG 3.43Å; N509-E513 PolarHBondContact O-N 3.01Å |
| 510 | K | 79.5 | Confident | 76.4 | Confident | 124 Ų | 124 | 100.5 Ų | 100.5 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -34.9 | 172 | -78.3 | 174.7 | 179.8 | 172.9 | 0 | 112.7 | D506 I507 R514 | D506-K510 WeakPolarHBondContact O-CB 3.47Å; D506-K510 WeakPolarHBondContact O-CG 3.26Å; D506-K510 PolarHBondContact O-N 3.5Å; I507-K510 PolarHBondContact O-N 3.14Å; K510-R514 VanDerWaalsContact O-CG 3.25Å; K510-R514 WeakPolarHBondContact O-CG 3.44Å; K510-R514 PolarHBondContact O-N 2.88Å |
| 511 | K | 77 | Confident | 75.5 | Confident | 118 Ų | 118 | 94.8 Ų | 94.8 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 172.5 | -77.5 | 178.9 | 178.4 | -178.3 | 0 | 111.3 | I507 L508 N509 R514 L515 | I507-K511 WeakPolarHBondContact O-CG 3.43Å; I507-K511 PolarHBondContact O-N 2.96Å; L508-K511 CarbonylContact O-C 3.54Å; L508-K511 WeakPolarHBondContact O-CB 3.35Å; L508-K511 PolarHBondContact O-N 2.93Å; L508-K511 VanDerWaalsContact O-N 3.15Å; N509-K511 VanDerWaalsContact C-N 3.29Å; N509-K511 PolarHBondContact O-N 3.31Å; K511-R514 PolarHBondContact O-N 2.85Å; K511-L515 WeakPolarHBondContact O-CB 3.27Å; K511-L515 VanDerWaalsContact O-CG 3.26Å; K511-L515 WeakPolarHBondContact O-CG 3.47Å; K511-L515 PolarHBondContact O-N 3.31Å |
| 512 | L | 71.7 | Confident | 74.2 | Confident | 91 Ų | 91 | 95 Ų | 95 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 176.6 | -168.6 | 78.3 | 0 | 0 | 0 | 111 | L508 N509 R514 L515 I516 | L508-L512 WeakPolarHBondContact O-CB 3.34Å; L508-L512 PolarHBondContact O-N 3.4Å; N509-L512 CarbonylContact O-C 3.56Å; N509-L512 WeakPolarHBondContact O-CB 3.34Å; N509-L512 PolarHBondContact O-N 3.33Å; N509-L512 VanDerWaalsContact O-N 3.13Å; L512-R514 VanDerWaalsContact C-N 3.33Å; L512-R514 PolarHBondContact O-N 2.97Å; L512-L515 CarbonylContact O-C 3.58Å; L512-L515 WeakPolarHBondContact O-CB 3.43Å; L512-L515 PolarHBondContact O-N 3.24Å; L512-L515 VanDerWaalsContact O-N 3.11Å; L512-I516 HydrophobicContact CD2-CD1 4.22Å; L512-I516 HydrophobicContact CG-CD1 3.93Å; L512-I516 HydrophobicContact CG-CG1 4.48Å; L512-I516 VanDerWaalsContact O-CG1 3.28Å; L512-I516 WeakPolarHBondContact O-CG1 3.4Å; L512-I516 PolarHBondContact O-N 2.85Å |
| 513 | E | 74.2 | Confident | 73.1 | Confident | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -41.9 | 176.1 | -77 | 178 | 174 | 0 | 0 | 112.2 | N509 I516 H517 | N509-E513 WeakPolarHBondContact O-CG 3.43Å; N509-E513 PolarHBondContact O-N 3.01Å; E513-I516 PolarHBondContact O-N 3.28Å; E513-H517 WeakPolarHBondContact O-CB 3.29Å; E513-H517 PolarHBondContact O-N 3.15Å |
| 514 | R | 73.9 | Confident | 71.7 | Confident | 161 Ų | 161 | 100.2 Ų | 100.2 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | 173.1 | -71.8 | 173.4 | -158.6 | 171.3 | 3.5 | 111.4 | K510 K511 L512 I516 H517 D518 | K510-R514 VanDerWaalsContact O-CG 3.25Å; K510-R514 WeakPolarHBondContact O-CG 3.44Å; K510-R514 PolarHBondContact O-N 2.88Å; K511-R514 PolarHBondContact O-N 2.85Å; L512-R514 VanDerWaalsContact C-N 3.33Å; L512-R514 PolarHBondContact O-N 2.97Å; R514-I516 VanDerWaalsContact C-N 3.35Å; R514-I516 PolarHBondContact O-N 3.46Å; R514-H517 PolarHBondContact O-N 3.45Å; R514-D518 WeakPolarHBondContact O-CB 3.43Å; R514-D518 PolarHBondContact O-N 2.88Å |
| 515 | L | 69.3 | Low | 70.8 | Confident | 105 Ų | 105 | 97.2 Ų | 97.2 | 55% | 0.55 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 176.7 | -71.9 | 167.5 | 0 | 0 | 0 | 112 | K511 L512 D518 C519 | K511-L515 WeakPolarHBondContact O-CB 3.27Å; K511-L515 VanDerWaalsContact O-CG 3.26Å; K511-L515 WeakPolarHBondContact O-CG 3.47Å; K511-L515 PolarHBondContact O-N 3.31Å; L512-L515 CarbonylContact O-C 3.58Å; L512-L515 WeakPolarHBondContact O-CB 3.43Å; L512-L515 PolarHBondContact O-N 3.24Å; L512-L515 VanDerWaalsContact O-N 3.11Å; L515-D518 PolarHBondContact O-N 3.25Å; L515-C519 VanDerWaalsContact O-CB 3.22Å; L515-C519 WeakPolarHBondContact O-CB 3.49Å; L515-C519 PolarHBondContact O-N 3.02Å; L515-C519 PolarHBondContact O-SG 3.23Å |
| 516 | I | 68.3 | Low | 70.1 | Confident | 44 Ų | 44 | 99.2 Ų | 99.2 | 23% | 0.226 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -66 | -43.7 | 176.1 | -69.2 | 166.4 | 0 | 0 | 0 | 110.6 | L512 E513 R514 C519 G520 G521 E523 | L512-I516 HydrophobicContact CD2-CD1 4.22Å; L512-I516 HydrophobicContact CG-CD1 3.93Å; L512-I516 HydrophobicContact CG-CG1 4.48Å; L512-I516 VanDerWaalsContact O-CG1 3.28Å; L512-I516 WeakPolarHBondContact O-CG1 3.4Å; L512-I516 PolarHBondContact O-N 2.85Å; E513-I516 PolarHBondContact O-N 3.28Å; R514-I516 VanDerWaalsContact C-N 3.35Å; R514-I516 PolarHBondContact O-N 3.46Å; I516-C519 CarbonylContact O-C 3.58Å; I516-C519 PolarHBondContact O-N 3.21Å; I516-G520 PolarHBondContact O-N 3.38Å; I516-G521 PolarHBondContact O-N 2.67Å; I516-E523 HydrophobicContact CD1-CG 4.24Å |
| 517 | H | 69.9 | Low | 69.6 | Low | 150 Ų | 150 | 102 Ų | 102 | 69% | 0.694 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.4 | -47.4 | 176 | -179.4 | -75.4 | 0 | 0 | 0 | 111.2 | E513 R514 C519 G520 | E513-H517 WeakPolarHBondContact O-CB 3.29Å; E513-H517 PolarHBondContact O-N 3.15Å; R514-H517 PolarHBondContact O-N 3.45Å; H517-C519 PolarHBondContact O-N 2.95Å; H517-G520 PolarHBondContact O-N 3.48Å; H517-G520 VanDerWaalsContact O-N 3.11Å |
| 518 | D | 67.8 | Low | 69 | Low | 123 Ų | 123 | 102.1 Ų | 102.1 | 66% | 0.658 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.7 | -27.5 | 178.1 | -66 | -16.5 | 0 | 0 | 0 | 112.1 | R514 L515 | R514-D518 WeakPolarHBondContact O-CB 3.43Å; R514-D518 PolarHBondContact O-N 2.88Å; L515-D518 PolarHBondContact O-N 3.25Å |
| 519 | C | 59.7 | Low | 68.4 | Low | 48 Ų | 48 | 97.8 Ų | 97.8 | 32% | 0.324 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 9.9 | 175.5 | -64.1 | 0 | 0 | 0 | 0 | 114.2 | L515 I516 H517 | L515-C519 VanDerWaalsContact O-CB 3.22Å; L515-C519 WeakPolarHBondContact O-CB 3.49Å; L515-C519 PolarHBondContact O-N 3.02Å; L515-C519 PolarHBondContact O-SG 3.23Å; I516-C519 CarbonylContact O-C 3.58Å; I516-C519 PolarHBondContact O-N 3.21Å; H517-C519 PolarHBondContact O-N 2.95Å |
| 520 | G | 66.1 | Low | 68.2 | Low | 72 Ų | 72 | 99.7 Ų | 99.7 | 74% | 0.742 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 25.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | I516 H517 | I516-G520 PolarHBondContact O-N 3.38Å; H517-G520 PolarHBondContact O-N 3.48Å; H517-G520 VanDerWaalsContact O-N 3.11Å |
| 521 | G | 63.7 | Low | 68.1 | Low | 55 Ų | 55 | 97 Ų | 97 | 57% | 0.567 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | 8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I516 | I516-G521 PolarHBondContact O-N 2.67Š|
| 522 | Q | 55.9 | Low | 68.2 | Low | 136 Ų | 136 | 94.8 Ų | 94.8 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -113.5 | 135.8 | 174.4 | -69.8 | -176.3 | -3.4 | 0 | 0 | 111.6 | I524 | Q522-I524 VanDerWaalsContact C-N 3.34Å; Q522-I524 HydrophobicContact CB-CD1 4.23Å; Q522-I524 HydrophobicContact CB-CG1 4.16Å; Q522-I524 PolarHBondContact O-N 2.94Å |
| 523 | E | 57.9 | Low | 68.6 | Low | 174 Ų | 174 | 95.4 Ų | 95.4 | 81% | 0.813 | 53% | 0.525 | S | S | * | . | trans | -70.8 | 86.1 | 175.9 | -69.5 | -177.3 | 173.4 | 0 | 0 | 110.1 | I516 | I516-E523 HydrophobicContact CD1-CG 4.24Š| ||
| 524 | I | 56.3 | Low | 68.9 | Low | 55 Ų | 55 | 93.7 Ų | 93.7 | 28% | 0.282 | 52% | 0.52 | S | S | . | . | trans | -106.6 | 129.6 | 177.4 | -60.7 | 173.5 | 0 | 0 | 0 | 107.9 | Q522 D528 | Q522-I524 VanDerWaalsContact C-N 3.34Å; Q522-I524 HydrophobicContact CB-CD1 4.23Å; Q522-I524 HydrophobicContact CB-CG1 4.16Å; Q522-I524 PolarHBondContact O-N 2.94Å; I524-D528 HydrophobicContact CG2-CB 3.22Å | ||
| 525 | G | 65 | Low | 69.6 | Low | 34 Ų | 34 | 90.3 Ų | 90.3 | 35% | 0.351 | 51% | 0.514 | S | S | . | . | trans | -59.7 | 155.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L527 D528 A529 | G525-L527 PolarHBondContact O-N 3.3Å; G525-L527 VanDerWaalsContact O-N 3.15Å; G525-D528 CarbonylContact O-C 3.6Å; G525-D528 PolarHBondContact O-N 2.94Å; G525-A529 PolarHBondContact O-N 3.43Å | ||
| 526 | P | 66.7 | Low | 70.2 | Confident | 116 Ų | 116 | 92.1 Ų | 92.1 | 75% | 0.753 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.2 | -33.8 | -173.4 | 18.8 | -30.2 | 0 | 0 | 0 | 113.8 | Q530 | P526-Q530 WeakPolarHBondContact O-CB 3.44Å; P526-Q530 PolarHBondContact O-N 2.97Å |
| 527 | L | 73.4 | Confident | 71.1 | Confident | 129 Ų | 129 | 92.3 Ų | 92.3 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.6 | -44.5 | 173.8 | -79.6 | 160.2 | 0 | 0 | 0 | 111.7 | G525 Q530 V531 | G525-L527 PolarHBondContact O-N 3.3Å; G525-L527 VanDerWaalsContact O-N 3.15Å; L527-Q530 CarbonylContact O-C 3.53Å; L527-Q530 WeakPolarHBondContact O-CB 3.36Å; L527-Q530 PolarHBondContact O-N 3.42Å; L527-V531 VanDerWaalsContact O-CG2 3.29Å; L527-V531 WeakPolarHBondContact O-CG2 3.34Å; L527-V531 PolarHBondContact O-N 2.92Å |
| 528 | D | 71 | Confident | 71.9 | Confident | 97 Ų | 97 | 89.1 Ų | 89.1 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.1 | -33.2 | 178.5 | -69.7 | -30 | 0 | 0 | 0 | 112 | I524 G525 Q530 V531 N532 | I524-D528 HydrophobicContact CG2-CB 3.22Å; G525-D528 CarbonylContact O-C 3.6Å; G525-D528 PolarHBondContact O-N 2.94Å; D528-Q530 VanDerWaalsContact C-N 3.34Å; D528-V531 PolarHBondContact O-N 2.95Å; D528-N532 WeakPolarHBondContact O-CB 3.4Å; D528-N532 VanDerWaalsContact O-CG 3.29Å; D528-N532 PolarHBondContact O-N 3.2Å |
| 529 | A | 68.4 | Low | 73 | Confident | 16 Ų | 16 | 84.2 Ų | 84.2 | 13% | 0.132 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | G525 N532 N533 | G525-A529 PolarHBondContact O-N 3.43Å; A529-N532 PolarHBondContact O-N 3.41Å; A529-N533 WeakPolarHBondContact O-CB 3.39Å; A529-N533 PolarHBondContact O-N 2.92Å |
| 530 | Q | 76.1 | Confident | 74.4 | Confident | 117 Ų | 117 | 87.1 Ų | 87.1 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 173.2 | -166.9 | 172 | 17.2 | 0 | 0 | 111.4 | P526 L527 D528 N533 L534 | P526-Q530 WeakPolarHBondContact O-CB 3.44Å; P526-Q530 PolarHBondContact O-N 2.97Å; L527-Q530 CarbonylContact O-C 3.53Å; L527-Q530 WeakPolarHBondContact O-CB 3.36Å; L527-Q530 PolarHBondContact O-N 3.42Å; D528-Q530 VanDerWaalsContact C-N 3.34Å; Q530-N533 PolarHBondContact O-N 2.74Å; Q530-L534 HydrophobicContact CG-CD1 4.26Å; Q530-L534 VanDerWaalsContact O-CB 3.31Å; Q530-L534 WeakPolarHBondContact O-CB 3.14Å; Q530-L534 WeakPolarHBondContact O-CG 3.28Å; Q530-L534 PolarHBondContact O-N 2.84Å |
| 531 | V | 77.3 | Confident | 75.6 | Confident | 68 Ų | 68 | 89 Ų | 89 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 173.3 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | L527 D528 L534 N535 | L527-V531 VanDerWaalsContact O-CG2 3.29Å; L527-V531 WeakPolarHBondContact O-CG2 3.34Å; L527-V531 PolarHBondContact O-N 2.92Å; D528-V531 PolarHBondContact O-N 2.95Å; V531-L534 CarbonylContact O-C 3.55Å; V531-L534 PolarHBondContact O-N 3.42Å; V531-N535 VanDerWaalsContact O-CB 3.32Å; V531-N535 WeakPolarHBondContact O-CB 3.48Å; V531-N535 PolarHBondContact O-N 3.31Å; V531-N535 PolarHBondContact O-ND2 3.39Å |
| 532 | N | 79.9 | Confident | 76.9 | Confident | 71 Ų | 71 | 92.3 Ų | 92.3 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 176.2 | -77.8 | -18.8 | 0 | 0 | 0 | 112.1 | D528 A529 N535 K536 | D528-N532 WeakPolarHBondContact O-CB 3.4Å; D528-N532 VanDerWaalsContact O-CG 3.29Å; D528-N532 PolarHBondContact O-N 3.2Å; A529-N532 PolarHBondContact O-N 3.41Å; N532-N535 PolarHBondContact O-N 2.8Å; N532-K536 WeakPolarHBondContact O-CB 3.32Å; N532-K536 WeakPolarHBondContact O-CG 3.46Å; N532-K536 PolarHBondContact O-N 2.95Å |
| 533 | N | 80.1 | Confident | 78.6 | Confident | 103 Ų | 103 | 90.9 Ų | 90.9 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.6 | -39.3 | 173.9 | -78.8 | -17.5 | 0 | 0 | 0 | 111.9 | A529 Q530 K536 A537 | A529-N533 WeakPolarHBondContact O-CB 3.39Å; A529-N533 PolarHBondContact O-N 2.92Å; Q530-N533 PolarHBondContact O-N 2.74Å; N533-K536 PolarHBondContact O-N 3.26Å; N533-A537 VanDerWaalsContact O-CB 3.26Å; N533-A537 WeakPolarHBondContact O-CB 3.44Å; N533-A537 PolarHBondContact O-N 3.31Å |
| 534 | L | 81.4 | Confident | 80.2 | Confident | 94 Ų | 94 | 86.7 Ų | 86.7 | 49% | 0.492 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 173.8 | -74.2 | 171.5 | 0 | 0 | 0 | 111.1 | Q530 V531 A537 I538 | Q530-L534 HydrophobicContact CG-CD1 4.26Å; Q530-L534 VanDerWaalsContact O-CB 3.31Å; Q530-L534 WeakPolarHBondContact O-CB 3.14Å; Q530-L534 WeakPolarHBondContact O-CG 3.28Å; Q530-L534 PolarHBondContact O-N 2.84Å; V531-L534 CarbonylContact O-C 3.55Å; V531-L534 PolarHBondContact O-N 3.42Å; L534-A537 CarbonylContact O-C 3.53Å; L534-A537 PolarHBondContact O-N 3.49Å; L534-I538 VanDerWaalsContact O-CB 3.28Å; L534-I538 WeakPolarHBondContact O-CB 3Å; L534-I538 WeakPolarHBondContact O-CD1 3.3Å; L534-I538 WeakPolarHBondContact O-CG1 3.46Å; L534-I538 PolarHBondContact O-N 3.38Å |
| 535 | N | 86.6 | Confident | 81.8 | Confident | 90 Ų | 90 | 88.4 Ų | 88.4 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 175.5 | -74.3 | -23.2 | 0 | 0 | 0 | 111.5 | V531 N532 I538 G539 | V531-N535 VanDerWaalsContact O-CB 3.32Å; V531-N535 WeakPolarHBondContact O-CB 3.48Å; V531-N535 PolarHBondContact O-N 3.31Å; V531-N535 PolarHBondContact O-ND2 3.39Å; N532-N535 PolarHBondContact O-N 2.8Å; N535-I538 PolarHBondContact O-N 3.34Å; N535-G539 PolarHBondContact O-N 3.34Å |
| 536 | K | 83.3 | Confident | 83.1 | Confident | 142 Ų | 142 | 88.1 Ų | 88.1 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 171 | -77.4 | -180 | -179.3 | 177.2 | 0 | 111.3 | N532 N533 G539 L540 | N532-K536 WeakPolarHBondContact O-CB 3.32Å; N532-K536 WeakPolarHBondContact O-CG 3.46Å; N532-K536 PolarHBondContact O-N 2.95Å; N533-K536 PolarHBondContact O-N 3.26Å; K536-G539 PolarHBondContact O-N 3.01Å; K536-L540 WeakPolarHBondContact O-CB 3.39Å; K536-L540 VanDerWaalsContact O-CG 3.29Å; K536-L540 WeakPolarHBondContact O-CG 3.36Å; K536-L540 PolarHBondContact O-N 2.82Å |
| 537 | A | 86.4 | Confident | 84.3 | Confident | 48 Ų | 48 | 89 Ų | 89 | 40% | 0.397 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | N533 L534 K541 | N533-A537 VanDerWaalsContact O-CB 3.26Å; N533-A537 WeakPolarHBondContact O-CB 3.44Å; N533-A537 PolarHBondContact O-N 3.31Å; L534-A537 CarbonylContact O-C 3.53Å; L534-A537 PolarHBondContact O-N 3.49Å; A537-K541 WeakPolarHBondContact O-CB 3.32Å; A537-K541 VanDerWaalsContact O-CG 3.25Å; A537-K541 WeakPolarHBondContact O-CG 3.5Å; A537-K541 PolarHBondContact O-N 3Å |
| 538 | I | 87 | Confident | 85.2 | Confident | 83 Ų | 83 | 87.9 Ų | 87.9 | 43% | 0.426 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 173.4 | -71.7 | 163.4 | 0 | 0 | 0 | 109.6 | L534 N535 K541 Q542 | L534-I538 VanDerWaalsContact O-CB 3.28Å; L534-I538 WeakPolarHBondContact O-CB 3Å; L534-I538 WeakPolarHBondContact O-CD1 3.3Å; L534-I538 WeakPolarHBondContact O-CG1 3.46Å; L534-I538 PolarHBondContact O-N 3.38Å; N535-I538 PolarHBondContact O-N 3.34Å; I538-K541 CarbonylContact O-C 3.6Å; I538-K541 PolarHBondContact O-N 2.88Å; I538-Q542 HydrophobicContact CG2-CG 4.32Å; I538-Q542 WeakPolarHBondContact O-CB 3.48Å; I538-Q542 VanDerWaalsContact O-CG 3.27Å; I538-Q542 WeakPolarHBondContact O-CG 3.47Å; I538-Q542 PolarHBondContact O-N 2.93Å |
| 539 | G | 90.1 | Very high | 86.1 | Confident | 20 Ų | 20 | 89 Ų | 89 | 21% | 0.206 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -59.3 | -49.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | N535 K536 K541 Q542 D543 | N535-G539 PolarHBondContact O-N 3.34Å; K536-G539 PolarHBondContact O-N 3.01Å; G539-K541 VanDerWaalsContact C-N 3.28Å; G539-K541 PolarHBondContact O-N 3.3Å; G539-Q542 CarbonylContact O-C 3.59Å; G539-Q542 WeakPolarHBondContact O-CB 3.38Å; G539-Q542 PolarHBondContact O-N 3.45Å; G539-D543 PolarHBondContact O-N 2.97Å |
| 540 | L | 90.5 | Very high | 87.2 | Confident | 110 Ų | 110 | 94.2 Ų | 94.2 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.9 | -39.1 | 174.5 | -72 | 171.9 | 0 | 0 | 0 | 112 | K536 D543 E544 | K536-L540 WeakPolarHBondContact O-CB 3.39Å; K536-L540 VanDerWaalsContact O-CG 3.29Å; K536-L540 WeakPolarHBondContact O-CG 3.36Å; K536-L540 PolarHBondContact O-N 2.82Å; L540-D543 PolarHBondContact O-N 2.91Å; L540-E544 WeakPolarHBondContact O-CB 3.49Å; L540-E544 WeakPolarHBondContact O-CG 3.27Å; L540-E544 PolarHBondContact O-N 3.34Å |
| 541 | K | 90.2 | Very high | 87.9 | Confident | 111 Ų | 111 | 92.9 Ų | 92.9 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.5 | -33.5 | 175.1 | -72.4 | -65 | 171.9 | -143.3 | 0 | 112.9 | A537 I538 G539 E544 I545 | A537-K541 WeakPolarHBondContact O-CB 3.32Å; A537-K541 VanDerWaalsContact O-CG 3.25Å; A537-K541 WeakPolarHBondContact O-CG 3.5Å; A537-K541 PolarHBondContact O-N 3Å; I538-K541 CarbonylContact O-C 3.6Å; I538-K541 PolarHBondContact O-N 2.88Å; G539-K541 VanDerWaalsContact C-N 3.28Å; G539-K541 PolarHBondContact O-N 3.3Å; K541-E544 WeakPolarHBondContact CD-OE2 3.47Å; K541-E544 IonicContact NZ-OE1 2.82Å; K541-E544 PolarHBondContact NZ-OE1 2.84Å; K541-E544 IonicContact NZ-OE2 3.41Å; K541-E544 PolarHBondContact NZ-OE2 3.36Å; K541-I545 WeakPolarHBondContact O-CB 3.36Å; K541-I545 WeakPolarHBondContact O-CD1 3.26Å; K541-I545 WeakPolarHBondContact O-CG1 3.33Å; K541-I545 PolarHBondContact O-N 3.38Å |
| 542 | Q | 91.3 | Very high | 88.7 | Confident | 124 Ų | 124 | 97 Ų | 97 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.4 | -39.7 | 173.2 | -76.2 | 166.6 | -23.3 | 0 | 0 | 111.2 | I538 G539 I545 G546 | I538-Q542 HydrophobicContact CG2-CG 4.32Å; I538-Q542 WeakPolarHBondContact O-CB 3.48Å; I538-Q542 VanDerWaalsContact O-CG 3.27Å; I538-Q542 WeakPolarHBondContact O-CG 3.47Å; I538-Q542 PolarHBondContact O-N 2.93Å; G539-Q542 CarbonylContact O-C 3.59Å; G539-Q542 WeakPolarHBondContact O-CB 3.38Å; G539-Q542 PolarHBondContact O-N 3.45Å; Q542-I545 PolarHBondContact O-N 3.4Å; Q542-G546 PolarHBondContact O-N 2.95Å |
| 543 | D | 90.8 | Very high | 89.3 | Confident | 107 Ų | 107 | 98 Ų | 98 | 57% | 0.572 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -47.5 | 173.6 | -67.2 | -23.5 | 0 | 0 | 0 | 110.6 | G539 L540 I545 G546 E547 | G539-D543 PolarHBondContact O-N 2.97Å; L540-D543 PolarHBondContact O-N 2.91Å; D543-I545 VanDerWaalsContact C-N 3.34Å; D543-I545 PolarHBondContact O-N 2.8Å; D543-G546 PolarHBondContact O-N 3.15Å; D543-G546 VanDerWaalsContact O-N 3.15Å; D543-E547 WeakPolarHBondContact O-CG 3.33Å; D543-E547 PolarHBondContact O-N 2.88Å |
| 544 | E | 93 | Very high | 89.8 | Confident | 86 Ų | 86 | 100.2 Ų | 100.2 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 173.7 | -77.4 | 176.9 | -152.4 | 0 | 0 | 112.1 | L540 K541 E547 L548 | L540-E544 WeakPolarHBondContact O-CB 3.49Å; L540-E544 WeakPolarHBondContact O-CG 3.27Å; L540-E544 PolarHBondContact O-N 3.34Å; K541-E544 WeakPolarHBondContact CD-OE2 3.47Å; K541-E544 IonicContact NZ-OE1 2.82Å; K541-E544 PolarHBondContact NZ-OE1 2.84Å; K541-E544 IonicContact NZ-OE2 3.41Å; K541-E544 PolarHBondContact NZ-OE2 3.36Å; E544-E547 PolarHBondContact O-N 3.2Å; E544-L548 WeakPolarHBondContact O-CB 3.44Å; E544-L548 VanDerWaalsContact O-CG 3.27Å; E544-L548 WeakPolarHBondContact O-CG 3.34Å; E544-L548 PolarHBondContact O-N 2.78Å |
| 545 | I | 90.2 | Very high | 90.3 | Very high | 90 Ų | 90 | 100.6 Ų | 100.6 | 46% | 0.462 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.6 | -72.9 | 163.6 | 0 | 0 | 0 | 110 | K541 Q542 D543 E547 L548 E549 | K541-I545 WeakPolarHBondContact O-CB 3.36Å; K541-I545 WeakPolarHBondContact O-CD1 3.26Å; K541-I545 WeakPolarHBondContact O-CG1 3.33Å; K541-I545 PolarHBondContact O-N 3.38Å; Q542-I545 PolarHBondContact O-N 3.4Å; D543-I545 VanDerWaalsContact C-N 3.34Å; D543-I545 PolarHBondContact O-N 2.8Å; I545-E547 VanDerWaalsContact C-N 3.35Å; I545-E547 PolarHBondContact O-N 2.64Å; I545-L548 PolarHBondContact O-N 3.34Å; I545-E549 HydrophobicContact CG2-CG 4.26Å; I545-E549 WeakPolarHBondContact O-CB 3.04Å; I545-E549 WeakPolarHBondContact O-CG 3.43Å; I545-E549 PolarHBondContact O-N 2.79Å |
| 546 | G | 92.4 | Very high | 90.5 | Very high | 28 Ų | 28 | 100 Ų | 100 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q542 D543 E549 Q550 | Q542-G546 PolarHBondContact O-N 2.95Å; D543-G546 PolarHBondContact O-N 3.15Å; D543-G546 VanDerWaalsContact O-N 3.15Å; G546-E549 PolarHBondContact O-N 2.9Å; G546-Q550 WeakPolarHBondContact O-CG 3.48Å; G546-Q550 PolarHBondContact O-N 3.25Å |
| 547 | E | 91.8 | Very high | 90.8 | Very high | 134 Ų | 134 | 98.3 Ų | 98.3 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 173.8 | -73.1 | -174.9 | 171 | 0 | 0 | 111.9 | D543 E544 I545 Q550 Q551 | D543-E547 WeakPolarHBondContact O-CG 3.33Å; D543-E547 PolarHBondContact O-N 2.88Å; E544-E547 PolarHBondContact O-N 3.2Å; I545-E547 VanDerWaalsContact C-N 3.35Å; I545-E547 PolarHBondContact O-N 2.64Å; E547-Q550 PolarHBondContact O-N 3.44Å; E547-Q551 WeakPolarHBondContact O-CB 3.45Å; E547-Q551 PolarHBondContact O-N 3.4Å |
| 548 | L | 92.6 | Very high | 91.1 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.7 | -38 | 177.1 | -73.5 | 171.6 | 0 | 0 | 0 | 112.2 | E544 I545 Q551 W552 | E544-L548 WeakPolarHBondContact O-CB 3.44Å; E544-L548 VanDerWaalsContact O-CG 3.27Å; E544-L548 WeakPolarHBondContact O-CG 3.34Å; E544-L548 PolarHBondContact O-N 2.78Å; I545-L548 PolarHBondContact O-N 3.34Å; L548-Q551 PolarHBondContact O-N 2.83Å; L548-W552 VanDerWaalsContact O-CB 3.24Å; L548-W552 WeakPolarHBondContact O-CB 3.32Å; L548-W552 PolarHBondContact O-N 2.87Å |
| 549 | E | 89.9 | Confident | 91.3 | Very high | 119 Ų | 119 | 102 Ų | 102 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 173.3 | -76.5 | 179.4 | 173.3 | 0 | 0 | 111.2 | I545 G546 W552 L553 | I545-E549 HydrophobicContact CG2-CG 4.26Å; I545-E549 WeakPolarHBondContact O-CB 3.04Å; I545-E549 WeakPolarHBondContact O-CG 3.43Å; I545-E549 PolarHBondContact O-N 2.79Å; G546-E549 PolarHBondContact O-N 2.9Å; E549-W552 PolarHBondContact O-N 3.02Å; E549-L553 WeakPolarHBondContact O-CB 3.45Å; E549-L553 WeakPolarHBondContact O-CG 3.37Å; E549-L553 PolarHBondContact O-N 3.45Å |
| 550 | Q | 89.6 | Confident | 91.5 | Very high | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 173.6 | -79 | -171.8 | 8.9 | 0 | 0 | 112.5 | G546 E547 R554 | G546-Q550 WeakPolarHBondContact O-CG 3.48Å; G546-Q550 PolarHBondContact O-N 3.25Å; E547-Q550 PolarHBondContact O-N 3.44Å; Q550-R554 WeakPolarHBondContact O-CB 3.43Å; Q550-R554 WeakPolarHBondContact O-CG 3.33Å; Q550-R554 PolarHBondContact O-N 3.24Å; Q550-R554 PolarHBondContact O-NE 2.84Å |
| 551 | Q | 91.2 | Very high | 91.6 | Very high | 88 Ų | 88 | 102.4 Ų | 102.4 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 174.6 | -175.6 | 173.6 | -4.6 | 0 | 0 | 110.8 | E547 L548 L553 R554 E555 | E547-Q551 WeakPolarHBondContact O-CB 3.45Å; E547-Q551 PolarHBondContact O-N 3.4Å; L548-Q551 PolarHBondContact O-N 2.83Å; Q551-L553 PolarHBondContact O-N 3.34Å; Q551-R554 WeakPolarHBondContact O-CB 3.45Å; Q551-R554 PolarHBondContact O-N 3.43Å; Q551-R554 VanDerWaalsContact O-N 3.14Å; Q551-E555 HydrophobicContact CG-CG 4.48Å; Q551-E555 WeakPolarHBondContact CG-OE1 3.5Å; Q551-E555 PolarHBondContact NE2-OE1 3.15Å; Q551-E555 WeakPolarHBondContact O-CG 3.28Å; Q551-E555 PolarHBondContact O-N 3.48Å |
| 552 | W | 95.5 | Very high | 91.7 | Very high | 156 Ų | 156 | 101.4 Ų | 101.4 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.8 | -43.3 | 176.6 | -178.5 | 84.6 | 0 | 0 | 0 | 112 | L548 E549 R554 E555 Q556 | L548-W552 VanDerWaalsContact O-CB 3.24Å; L548-W552 WeakPolarHBondContact O-CB 3.32Å; L548-W552 PolarHBondContact O-N 2.87Å; E549-W552 PolarHBondContact O-N 3.02Å; W552-R554 VanDerWaalsContact C-N 3.34Å; W552-R554 PolarHBondContact O-N 3.06Å; W552-E555 PolarHBondContact O-N 2.67Å; W552-Q556 HydrophobicContact CH2-CG 4.35Å; W552-Q556 WeakPolarHBondContact O-CB 3.43Å; W552-Q556 PolarHBondContact O-N 2.99Å |
| 553 | L | 90.8 | Very high | 91.8 | Very high | 92 Ų | 92 | 98.8 Ų | 98.8 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 175.2 | -77.3 | 170.5 | 0 | 0 | 0 | 112.5 | E549 Q551 N557 | E549-L553 WeakPolarHBondContact O-CB 3.45Å; E549-L553 WeakPolarHBondContact O-CG 3.37Å; E549-L553 PolarHBondContact O-N 3.45Å; Q551-L553 PolarHBondContact O-N 3.34Å; L553-N557 WeakPolarHBondContact O-CB 3.45Å; L553-N557 VanDerWaalsContact O-CG 3.27Å; L553-N557 PolarHBondContact O-N 3.09Å; L553-N557 PolarHBondContact O-ND2 3.12Å |
| 554 | R | 90.3 | Very high | 91.9 | Very high | 148 Ų | 148 | 97.7 Ų | 97.7 | 56% | 0.558 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.6 | -50.4 | 174.2 | -78.5 | -178 | -73.7 | 174.5 | -2.7 | 111.2 | Q550 Q551 W552 Q556 N557 E558 | Q550-R554 WeakPolarHBondContact O-CB 3.43Å; Q550-R554 WeakPolarHBondContact O-CG 3.33Å; Q550-R554 PolarHBondContact O-N 3.24Å; Q550-R554 PolarHBondContact O-NE 2.84Å; Q551-R554 WeakPolarHBondContact O-CB 3.45Å; Q551-R554 PolarHBondContact O-N 3.43Å; Q551-R554 VanDerWaalsContact O-N 3.14Å; W552-R554 VanDerWaalsContact C-N 3.34Å; W552-R554 PolarHBondContact O-N 3.06Å; R554-Q556 VanDerWaalsContact C-N 3.32Å; R554-Q556 PolarHBondContact O-N 3.4Å; R554-N557 PolarHBondContact O-N 3.06Å; R554-E558 WeakPolarHBondContact O-CG 3.46Å; R554-E558 PolarHBondContact O-N 3.45Å |
| 555 | E | 92.3 | Very high | 91.8 | Very high | 103 Ų | 103 | 98.5 Ų | 98.5 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 178.3 | -70.8 | 177.3 | -167.2 | 0 | 0 | 111.7 | Q551 W552 E558 L559 | Q551-E555 HydrophobicContact CG-CG 4.48Å; Q551-E555 WeakPolarHBondContact CG-OE1 3.5Å; Q551-E555 PolarHBondContact NE2-OE1 3.15Å; Q551-E555 WeakPolarHBondContact O-CG 3.28Å; Q551-E555 PolarHBondContact O-N 3.48Å; W552-E555 PolarHBondContact O-N 2.67Å; E555-E558 PolarHBondContact O-N 2.85Å; E555-L559 VanDerWaalsContact O-CB 3.3Å; E555-L559 WeakPolarHBondContact O-CB 3.36Å; E555-L559 PolarHBondContact O-N 3.44Å |
| 556 | Q | 91.2 | Very high | 91.9 | Very high | 77 Ų | 77 | 101.7 Ų | 101.7 | 36% | 0.36 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 175 | -175.6 | 63.1 | 23.8 | 0 | 0 | 111.7 | W552 R554 L559 V560 | W552-Q556 HydrophobicContact CH2-CG 4.35Å; W552-Q556 WeakPolarHBondContact O-CB 3.43Å; W552-Q556 PolarHBondContact O-N 2.99Å; R554-Q556 VanDerWaalsContact C-N 3.32Å; R554-Q556 PolarHBondContact O-N 3.4Å; Q556-L559 PolarHBondContact O-N 3.18Å; Q556-V560 VanDerWaalsContact O-CG2 3.31Å; Q556-V560 WeakPolarHBondContact O-CG2 3.03Å; Q556-V560 PolarHBondContact O-N 2.75Å |
| 557 | N | 90.7 | Very high | 92 | Very high | 106 Ų | 106 | 103.3 Ų | 103.3 | 57% | 0.567 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.3 | -43.6 | 174.8 | -79.4 | -29.5 | 0 | 0 | 0 | 111.5 | L553 R554 L559 V560 V561 | L553-N557 WeakPolarHBondContact O-CB 3.45Å; L553-N557 VanDerWaalsContact O-CG 3.27Å; L553-N557 PolarHBondContact O-N 3.09Å; L553-N557 PolarHBondContact O-ND2 3.12Å; R554-N557 PolarHBondContact O-N 3.06Å; N557-L559 VanDerWaalsContact C-N 3.33Å; N557-L559 PolarHBondContact O-N 2.87Å; N557-V560 PolarHBondContact O-N 2.95Å; N557-V561 WeakPolarHBondContact O-CG2 3.35Å; N557-V561 PolarHBondContact O-N 2.76Å |
| 558 | E | 92.3 | Very high | 92 | Very high | 124 Ų | 124 | 103.8 Ų | 103.8 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.1 | -41.5 | 174 | -75.9 | -178 | -176.5 | 0 | 0 | 111.5 | R554 E555 V560 V561 N562 | R554-E558 WeakPolarHBondContact O-CG 3.46Å; R554-E558 PolarHBondContact O-N 3.45Å; E555-E558 PolarHBondContact O-N 2.85Å; E558-V560 PolarHBondContact O-N 2.9Å; E558-V561 PolarHBondContact O-N 3.09Å; E558-N562 WeakPolarHBondContact O-CB 3.45Å; E558-N562 PolarHBondContact O-N 3.26Å; E558-N562 PolarHBondContact O-ND2 2.78Å; E558-N562 VanDerWaalsContact O-ND2 3.13Å |
| 559 | L | 91.8 | Very high | 92 | Very high | 86 Ų | 86 | 104 Ų | 104 | 45% | 0.45 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 174.9 | -178.4 | 62.9 | 0 | 0 | 0 | 111.6 | E555 Q556 N557 N562 I563 | E555-L559 VanDerWaalsContact O-CB 3.3Å; E555-L559 WeakPolarHBondContact O-CB 3.36Å; E555-L559 PolarHBondContact O-N 3.44Å; Q556-L559 PolarHBondContact O-N 3.18Å; N557-L559 VanDerWaalsContact C-N 3.33Å; N557-L559 PolarHBondContact O-N 2.87Å; L559-N562 PolarHBondContact O-N 3.4Å; L559-I563 HydrophobicContact CD1-CD1 4.2Å; L559-I563 HydrophobicContact CD1-CG1 4.37Å; L559-I563 HydrophobicContact CG-CD1 3.91Å; L559-I563 HydrophobicContact CG-CG1 4.49Å; L559-I563 WeakPolarHBondContact O-CB 3.38Å; L559-I563 WeakPolarHBondContact O-CG1 3.38Å; L559-I563 PolarHBondContact O-N 3.49Å |
| 560 | V | 93.3 | Very high | 92.1 | Very high | 62 Ų | 62 | 100.7 Ų | 100.7 | 38% | 0.376 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | Q556 N557 E558 I563 N564 | Q556-V560 VanDerWaalsContact O-CG2 3.31Å; Q556-V560 WeakPolarHBondContact O-CG2 3.03Å; Q556-V560 PolarHBondContact O-N 2.75Å; N557-V560 PolarHBondContact O-N 2.95Å; E558-V560 PolarHBondContact O-N 2.9Å; V560-I563 PolarHBondContact O-N 3.15Å; V560-N564 WeakPolarHBondContact O-CB 3.41Å; V560-N564 VanDerWaalsContact O-CG 3.26Å; V560-N564 PolarHBondContact O-N 3.3Å; V560-N564 PolarHBondContact O-ND2 3.29Å |
| 561 | V | 92.9 | Very high | 92.2 | Very high | 76 Ų | 76 | 101.1 Ų | 101.1 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 173.7 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | N557 E558 I563 N564 E565 | N557-V561 WeakPolarHBondContact O-CG2 3.35Å; N557-V561 PolarHBondContact O-N 2.76Å; E558-V561 PolarHBondContact O-N 3.09Å; V561-I563 VanDerWaalsContact C-N 3.35Å; V561-I563 PolarHBondContact O-N 3.28Å; V561-N564 PolarHBondContact O-N 3.32Å; V561-E565 WeakPolarHBondContact O-CG 3.35Å; V561-E565 PolarHBondContact O-N 3.09Å |
| 562 | N | 92.9 | Very high | 92.3 | Very high | 90 Ų | 90 | 99.2 Ų | 99.2 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 178.5 | -72.3 | -33.2 | 0 | 0 | 0 | 112.6 | E558 L559 E565 R566 | E558-N562 WeakPolarHBondContact O-CB 3.45Å; E558-N562 PolarHBondContact O-N 3.26Å; E558-N562 PolarHBondContact O-ND2 2.78Å; E558-N562 VanDerWaalsContact O-ND2 3.13Å; L559-N562 PolarHBondContact O-N 3.4Å; N562-E565 PolarHBondContact O-N 2.97Å; N562-R566 VanDerWaalsContact O-CB 3.26Å; N562-R566 WeakPolarHBondContact O-CB 3.25Å; N562-R566 PolarHBondContact O-N 3.25Å |
| 563 | I | 92.5 | Very high | 92.1 | Very high | 69 Ų | 69 | 95.4 Ų | 95.4 | 35% | 0.354 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 174.4 | -72 | 166 | 0 | 0 | 0 | 110.3 | L559 V560 V561 E565 R566 D567 | L559-I563 HydrophobicContact CD1-CD1 4.2Å; L559-I563 HydrophobicContact CD1-CG1 4.37Å; L559-I563 HydrophobicContact CG-CD1 3.91Å; L559-I563 HydrophobicContact CG-CG1 4.49Å; L559-I563 WeakPolarHBondContact O-CB 3.38Å; L559-I563 WeakPolarHBondContact O-CG1 3.38Å; L559-I563 PolarHBondContact O-N 3.49Å; V560-I563 PolarHBondContact O-N 3.15Å; V561-I563 VanDerWaalsContact C-N 3.35Å; V561-I563 PolarHBondContact O-N 3.28Å; I563-E565 VanDerWaalsContact C-N 3.32Å; I563-E565 PolarHBondContact O-N 3.43Å; I563-R566 WeakPolarHBondContact O-CB 3.37Å; I563-R566 PolarHBondContact O-N 2.87Å; I563-D567 WeakPolarHBondContact O-CB 3.38Å; I563-D567 VanDerWaalsContact O-CG 3.26Å; I563-D567 PolarHBondContact O-N 3.44Å |
| 564 | N | 92.4 | Very high | 92.1 | Very high | 84 Ų | 84 | 94.6 Ų | 94.6 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 177.5 | -72.8 | -30.9 | 0 | 0 | 0 | 111.9 | V560 V561 K568 | V560-N564 WeakPolarHBondContact O-CB 3.41Å; V560-N564 VanDerWaalsContact O-CG 3.26Å; V560-N564 PolarHBondContact O-N 3.3Å; V560-N564 PolarHBondContact O-ND2 3.29Å; V561-N564 PolarHBondContact O-N 3.32Å; N564-K568 VanDerWaalsContact O-CG 3.3Å; N564-K568 WeakPolarHBondContact O-CG 3.28Å; N564-K568 PolarHBondContact O-N 2.9Å |
| 565 | E | 92.5 | Very high | 92.2 | Very high | 103 Ų | 103 | 95.8 Ų | 95.8 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 173.6 | -73.7 | -176.3 | 178.2 | 0 | 0 | 111.9 | V561 N562 I563 D567 K568 L569 | V561-E565 WeakPolarHBondContact O-CG 3.35Å; V561-E565 PolarHBondContact O-N 3.09Å; N562-E565 PolarHBondContact O-N 2.97Å; I563-E565 VanDerWaalsContact C-N 3.32Å; I563-E565 PolarHBondContact O-N 3.43Å; E565-D567 VanDerWaalsContact C-N 3.3Å; E565-D567 PolarHBondContact O-N 3.43Å; E565-K568 PolarHBondContact O-N 3.28Å; E565-L569 WeakPolarHBondContact O-CB 3.5Å; E565-L569 VanDerWaalsContact O-CG 3.29Å; E565-L569 WeakPolarHBondContact O-CG 3.41Å; E565-L569 PolarHBondContact O-N 2.9Å |
| 566 | R | 92.1 | Very high | 92.2 | Very high | 157 Ų | 157 | 95.4 Ų | 95.4 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.8 | -43.6 | 174.1 | -174.6 | -156 | 73.4 | 162.1 | -0.3 | 111.3 | N562 I563 L569 A570 | N562-R566 VanDerWaalsContact O-CB 3.26Å; N562-R566 WeakPolarHBondContact O-CB 3.25Å; N562-R566 PolarHBondContact O-N 3.25Å; I563-R566 WeakPolarHBondContact O-CB 3.37Å; I563-R566 PolarHBondContact O-N 2.87Å; R566-L569 PolarHBondContact O-N 3.27Å; R566-A570 WeakPolarHBondContact O-CB 3.34Å; R566-A570 PolarHBondContact O-N 3.48Å |
| 567 | D | 92.6 | Very high | 92.2 | Very high | 61 Ų | 61 | 96.2 Ų | 96.2 | 33% | 0.326 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.2 | -42 | -179 | -69.2 | -9 | 0 | 0 | 0 | 111.1 | I563 E565 L569 A570 E571 | I563-D567 WeakPolarHBondContact O-CB 3.38Å; I563-D567 VanDerWaalsContact O-CG 3.26Å; I563-D567 PolarHBondContact O-N 3.44Å; E565-D567 VanDerWaalsContact C-N 3.3Å; E565-D567 PolarHBondContact O-N 3.43Å; D567-L569 VanDerWaalsContact C-N 3.34Å; D567-L569 PolarHBondContact O-N 3.26Å; D567-A570 PolarHBondContact O-N 3.47Å; D567-E571 WeakPolarHBondContact O-CG 3.41Å; D567-E571 PolarHBondContact O-N 3.24Å |
| 568 | K | 92.6 | Very high | 92.2 | Very high | 145 Ų | 145 | 98.1 Ų | 98.1 | 63% | 0.63 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.3 | -43.1 | 170.5 | -74.4 | 173.3 | -177.3 | 175.4 | 0 | 112.3 | N564 E565 E571 S572 | N564-K568 VanDerWaalsContact O-CG 3.3Å; N564-K568 WeakPolarHBondContact O-CG 3.28Å; N564-K568 PolarHBondContact O-N 2.9Å; E565-K568 PolarHBondContact O-N 3.28Å; K568-E571 PolarHBondContact O-N 3.08Å; K568-S572 PolarHBondContact O-N 2.87Å |
| 569 | L | 91.9 | Very high | 92.2 | Very high | 111 Ų | 111 | 96.7 Ų | 96.7 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 176.5 | -74 | 172.9 | 0 | 0 | 0 | 111 | E565 R566 D567 E571 S572 V573 | E565-L569 WeakPolarHBondContact O-CB 3.5Å; E565-L569 VanDerWaalsContact O-CG 3.29Å; E565-L569 WeakPolarHBondContact O-CG 3.41Å; E565-L569 PolarHBondContact O-N 2.9Å; R566-L569 PolarHBondContact O-N 3.27Å; D567-L569 VanDerWaalsContact C-N 3.34Å; D567-L569 PolarHBondContact O-N 3.26Å; L569-E571 PolarHBondContact O-N 3.49Å; L569-S572 WeakPolarHBondContact CA-OG 3.32Å; L569-S572 WeakPolarHBondContact O-CB 3.33Å; L569-S572 PolarHBondContact O-N 2.96Å; L569-S572 VanDerWaalsContact O-N 3.15Å; L569-S572 PolarHBondContact O-OG 3.28Å; L569-V573 WeakPolarHBondContact O-CG2 3.5Å; L569-V573 PolarHBondContact O-N 2.92Å |
| 570 | A | 92.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 97.4 Ų | 97.4 | 41% | 0.413 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R566 D567 S572 V573 T574 | R566-A570 WeakPolarHBondContact O-CB 3.34Å; R566-A570 PolarHBondContact O-N 3.48Å; D567-A570 PolarHBondContact O-N 3.47Å; A570-S572 VanDerWaalsContact C-N 3.34Å; A570-S572 PolarHBondContact O-N 3.47Å; A570-V573 PolarHBondContact O-N 3.29Å; A570-T574 WeakPolarHBondContact O-CG2 3.49Å; A570-T574 PolarHBondContact O-N 3.33Å |
| 571 | E | 92.5 | Very high | 92 | Very high | 136 Ų | 136 | 97.2 Ų | 97.2 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.8 | -44.5 | 172.3 | -73.6 | -178.9 | 178.8 | 0 | 0 | 111.6 | D567 K568 L569 V573 T574 R575 | D567-E571 WeakPolarHBondContact O-CG 3.41Å; D567-E571 PolarHBondContact O-N 3.24Å; K568-E571 PolarHBondContact O-N 3.08Å; L569-E571 PolarHBondContact O-N 3.49Å; E571-V573 PolarHBondContact O-N 2.95Å; E571-T574 PolarHBondContact O-N 2.86Å; E571-T574 PolarHBondContact O-OG1 3.2Å; E571-R575 PolarHBondContact O-N 2.96Å |
| 572 | S | 93.3 | Very high | 92 | Very high | 48 Ų | 48 | 97.9 Ų | 97.9 | 34% | 0.336 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 177.1 | 81.8 | 0 | 0 | 0 | 0 | 112.5 | K568 L569 A570 R575 I576 | K568-S572 PolarHBondContact O-N 2.87Å; L569-S572 WeakPolarHBondContact CA-OG 3.32Å; L569-S572 WeakPolarHBondContact O-CB 3.33Å; L569-S572 PolarHBondContact O-N 2.96Å; L569-S572 VanDerWaalsContact O-N 3.15Å; L569-S572 PolarHBondContact O-OG 3.28Å; A570-S572 VanDerWaalsContact C-N 3.34Å; A570-S572 PolarHBondContact O-N 3.47Å; S572-R575 WeakPolarHBondContact O-CB 3.48Å; S572-R575 PolarHBondContact O-N 3.13Å; S572-I576 WeakPolarHBondContact O-CG1 3.31Å; S572-I576 PolarHBondContact O-N 2.82Å |
| 573 | V | 91.3 | Very high | 92 | Very high | 76 Ų | 76 | 99 Ų | 99 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 176.7 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | L569 A570 E571 R575 I576 N577 | L569-V573 WeakPolarHBondContact O-CG2 3.5Å; L569-V573 PolarHBondContact O-N 2.92Å; A570-V573 PolarHBondContact O-N 3.29Å; E571-V573 PolarHBondContact O-N 2.95Å; V573-R575 VanDerWaalsContact C-N 3.3Å; V573-R575 PolarHBondContact O-N 2.82Å; V573-I576 PolarHBondContact O-N 3.41Å; V573-N577 WeakPolarHBondContact O-CB 3.16Å; V573-N577 PolarHBondContact O-N 3.4Å; V573-N577 PolarHBondContact O-ND2 3.39Å |
| 574 | T | 90.6 | Very high | 91.9 | Very high | 75 Ų | 75 | 99.1 Ų | 99.1 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 175.9 | 65.4 | 0 | 0 | 0 | 0 | 112 | A570 E571 K578 | A570-T574 WeakPolarHBondContact O-CG2 3.49Å; A570-T574 PolarHBondContact O-N 3.33Å; E571-T574 PolarHBondContact O-N 2.86Å; E571-T574 PolarHBondContact O-OG1 3.2Å; T574-K578 VanDerWaalsContact O-CG 3.28Å; T574-K578 WeakPolarHBondContact O-CG 3.29Å; T574-K578 PolarHBondContact O-N 2.83Å |
| 575 | R | 91.9 | Very high | 91.8 | Very high | 173 Ų | 173 | 100.8 Ų | 100.8 | 65% | 0.653 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.7 | -45.3 | 175 | -176.1 | 177.3 | 176.4 | 156.5 | -0.4 | 111.7 | E571 S572 V573 K578 Q579 | E571-R575 PolarHBondContact O-N 2.96Å; S572-R575 WeakPolarHBondContact O-CB 3.48Å; S572-R575 PolarHBondContact O-N 3.13Å; V573-R575 VanDerWaalsContact C-N 3.3Å; V573-R575 PolarHBondContact O-N 2.82Å; R575-K578 PolarHBondContact O-N 3.47Å; R575-Q579 WeakPolarHBondContact O-CG 3.34Å; R575-Q579 PolarHBondContact O-N 3.43Å |
| 576 | I | 92.9 | Very high | 91.8 | Very high | 95 Ų | 95 | 101 Ų | 101 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177 | -69 | 167.9 | 0 | 0 | 0 | 110.4 | S572 V573 K578 Q579 L580 | S572-I576 WeakPolarHBondContact O-CG1 3.31Å; S572-I576 PolarHBondContact O-N 2.82Å; V573-I576 PolarHBondContact O-N 3.41Å; I576-K578 VanDerWaalsContact C-N 3.34Å; I576-K578 PolarHBondContact O-N 3.26Å; I576-Q579 CarbonylContact O-C 3.56Å; I576-Q579 WeakPolarHBondContact O-CB 3.5Å; I576-Q579 PolarHBondContact O-N 2.91Å; I576-Q579 VanDerWaalsContact O-N 3.17Å; I576-L580 WeakPolarHBondContact O-CB 3.48Å; I576-L580 PolarHBondContact O-N 2.87Å |
| 577 | N | 91.2 | Very high | 91.9 | Very high | 94 Ų | 94 | 99.8 Ų | 99.8 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 176.1 | -76.4 | -18.7 | 0 | 0 | 0 | 112.3 | V573 L580 S581 | V573-N577 WeakPolarHBondContact O-CB 3.16Å; V573-N577 PolarHBondContact O-N 3.4Å; V573-N577 PolarHBondContact O-ND2 3.39Å; N577-L580 PolarHBondContact O-N 3.48Å; N577-S581 WeakPolarHBondContact O-CB 3.3Å; N577-S581 PolarHBondContact O-N 3.19Å |
| 578 | K | 91.4 | Very high | 91.8 | Very high | 145 Ų | 145 | 102 Ų | 102 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 172.5 | -73.7 | 171.1 | -177.3 | 176.6 | 0 | 111.3 | T574 R575 I576 S581 I582 | T574-K578 VanDerWaalsContact O-CG 3.28Å; T574-K578 WeakPolarHBondContact O-CG 3.29Å; T574-K578 PolarHBondContact O-N 2.83Å; R575-K578 PolarHBondContact O-N 3.47Å; I576-K578 VanDerWaalsContact C-N 3.34Å; I576-K578 PolarHBondContact O-N 3.26Å; K578-S581 PolarHBondContact O-N 3.41Å; K578-I582 VanDerWaalsContact O-CG1 3.28Å; K578-I582 WeakPolarHBondContact O-CG1 3.27Å; K578-I582 PolarHBondContact O-N 3.01Å |
| 579 | Q | 92.2 | Very high | 91.8 | Very high | 94 Ų | 94 | 101.8 Ų | 101.8 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 176.6 | -74.3 | 177.6 | -19.9 | 0 | 0 | 112.1 | R575 I576 I582 L583 | R575-Q579 WeakPolarHBondContact O-CG 3.34Å; R575-Q579 PolarHBondContact O-N 3.43Å; I576-Q579 CarbonylContact O-C 3.56Å; I576-Q579 WeakPolarHBondContact O-CB 3.5Å; I576-Q579 PolarHBondContact O-N 2.91Å; I576-Q579 VanDerWaalsContact O-N 3.17Å; Q579-I582 PolarHBondContact O-N 3.15Å; Q579-L583 WeakPolarHBondContact O-CB 3.37Å; Q579-L583 WeakPolarHBondContact O-CG 3.35Å; Q579-L583 PolarHBondContact O-N 3.1Å |
| 580 | L | 90 | Very high | 91.8 | Very high | 102 Ų | 102 | 100.9 Ų | 100.9 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.3 | -172.3 | 139.8 | 0 | 0 | 0 | 111 | I576 N577 I582 L583 T584 | I576-L580 WeakPolarHBondContact O-CB 3.48Å; I576-L580 PolarHBondContact O-N 2.87Å; N577-L580 PolarHBondContact O-N 3.48Å; L580-I582 PolarHBondContact O-N 3.24Å; L580-L583 PolarHBondContact O-N 3.33Å; L580-T584 HydrophobicContact CD2-CG2 4.17Å; L580-T584 WeakPolarHBondContact O-CG2 3.47Å; L580-T584 PolarHBondContact O-N 3.35Å; L580-T584 PolarHBondContact O-OG1 3.38Å |
| 581 | S | 90.4 | Very high | 91.9 | Very high | 58 Ų | 58 | 102 Ų | 102 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 174.4 | -173.4 | 0 | 0 | 0 | 0 | 112.8 | N577 K578 T584 Q585 | N577-S581 WeakPolarHBondContact O-CB 3.3Å; N577-S581 PolarHBondContact O-N 3.19Å; K578-S581 PolarHBondContact O-N 3.41Å; S581-T584 WeakPolarHBondContact CA-OG1 3.37Å; S581-T584 PolarHBondContact O-OG1 2.88Å; S581-Q585 WeakPolarHBondContact O-CG 3.31Å; S581-Q585 PolarHBondContact O-N 2.98Å; S581-Q585 VanDerWaalsContact O-N 3.09Å |
| 582 | I | 91.9 | Very high | 91.9 | Very high | 90 Ų | 90 | 99.9 Ų | 99.9 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 175.3 | -66.7 | 163.2 | 0 | 0 | 0 | 110.7 | K578 Q579 L580 Q585 K586 | K578-I582 VanDerWaalsContact O-CG1 3.28Å; K578-I582 WeakPolarHBondContact O-CG1 3.27Å; K578-I582 PolarHBondContact O-N 3.01Å; Q579-I582 PolarHBondContact O-N 3.15Å; L580-I582 PolarHBondContact O-N 3.24Å; I582-Q585 PolarHBondContact O-N 3.44Å; I582-K586 HydrophobicContact CG2-CD 4.46Å; I582-K586 WeakPolarHBondContact O-CG 3.3Å; I582-K586 PolarHBondContact O-N 3.39Å |
| 583 | L | 92.9 | Very high | 91.9 | Very high | 112 Ų | 112 | 103.3 Ų | 103.3 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.2 | -38.3 | 179.8 | -73.6 | 173.4 | 0 | 0 | 0 | 112.1 | Q579 L580 K586 K587 | Q579-L583 WeakPolarHBondContact O-CB 3.37Å; Q579-L583 WeakPolarHBondContact O-CG 3.35Å; Q579-L583 PolarHBondContact O-N 3.1Å; L580-L583 PolarHBondContact O-N 3.33Å; L583-K586 PolarHBondContact O-N 3.04Å; L583-K587 WeakPolarHBondContact O-CB 3.46Å; L583-K587 PolarHBondContact O-N 3.31Å |
| 584 | T | 91.1 | Very high | 91.8 | Very high | 73 Ų | 73 | 103.6 Ų | 103.6 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 174.6 | 49.6 | 0 | 0 | 0 | 0 | 111.7 | L580 S581 K587 L588 | L580-T584 HydrophobicContact CD2-CG2 4.17Å; L580-T584 WeakPolarHBondContact O-CG2 3.47Å; L580-T584 PolarHBondContact O-N 3.35Å; L580-T584 PolarHBondContact O-OG1 3.38Å; S581-T584 WeakPolarHBondContact CA-OG1 3.37Å; S581-T584 PolarHBondContact O-OG1 2.88Å; T584-K587 PolarHBondContact O-N 3.46Å; T584-L588 WeakPolarHBondContact O-CB 3.41Å; T584-L588 PolarHBondContact O-N 3.29Å |
| 585 | Q | 91 | Very high | 91.9 | Very high | 119 Ų | 119 | 102 Ų | 102 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.3 | -38.6 | 172.3 | -75.3 | -176.7 | -1.3 | 0 | 0 | 113 | S581 I582 R589 | S581-Q585 WeakPolarHBondContact O-CG 3.31Å; S581-Q585 PolarHBondContact O-N 2.98Å; S581-Q585 VanDerWaalsContact O-N 3.09Å; I582-Q585 PolarHBondContact O-N 3.44Å; Q585-R589 PolarHBondContact O-N 2.87Å |
| 586 | K | 92.1 | Very high | 92 | Very high | 107 Ų | 107 | 97.2 Ų | 97.2 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 173.5 | -77.6 | -176.7 | 176.8 | -172.5 | 0 | 111.3 | I582 L583 L588 R589 I590 | I582-K586 HydrophobicContact CG2-CD 4.46Å; I582-K586 WeakPolarHBondContact O-CG 3.3Å; I582-K586 PolarHBondContact O-N 3.39Å; L583-K586 PolarHBondContact O-N 3.04Å; K586-L588 PolarHBondContact O-N 3.15Å; K586-R589 PolarHBondContact O-N 3.24Å; K586-I590 WeakPolarHBondContact O-CG1 3.45Å; K586-I590 PolarHBondContact O-N 2.95Å |
| 587 | K | 93.5 | Very high | 91.9 | Very high | 131 Ų | 131 | 98.1 Ų | 98.1 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.1 | -49.3 | 175.9 | -172.1 | -162 | 171.2 | -168 | 0 | 111 | L583 T584 R589 I590 D591 | L583-K587 WeakPolarHBondContact O-CB 3.46Å; L583-K587 PolarHBondContact O-N 3.31Å; T584-K587 PolarHBondContact O-N 3.46Å; K587-R589 VanDerWaalsContact C-N 3.3Å; K587-R589 PolarHBondContact O-N 3.48Å; K587-I590 PolarHBondContact O-N 2.86Å; K587-I590 VanDerWaalsContact O-N 3.14Å; K587-D591 VanDerWaalsContact CE-OD2 3.3Å; K587-D591 WeakPolarHBondContact CE-OD2 3.47Å; K587-D591 WeakPolarHBondContact O-CB 3.5Å; K587-D591 VanDerWaalsContact O-CG 3.32Å; K587-D591 PolarHBondContact O-N 3.46Å |
| 588 | L | 91.5 | Very high | 91.9 | Very high | 107 Ų | 107 | 99.2 Ų | 99.2 | 56% | 0.56 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.3 | -36.9 | -179.1 | -167 | 147 | 0 | 0 | 0 | 112.6 | T584 K586 N592 | T584-L588 WeakPolarHBondContact O-CB 3.41Å; T584-L588 PolarHBondContact O-N 3.29Å; K586-L588 PolarHBondContact O-N 3.15Å; L588-N592 WeakPolarHBondContact O-CB 3.42Å; L588-N592 VanDerWaalsContact O-CG 3.25Å; L588-N592 PolarHBondContact O-N 3.24Å; L588-N592 VanDerWaalsContact O-N 3.08Å; L588-N592 PolarHBondContact O-ND2 2.98Å |
| 589 | R | 93.1 | Very high | 91.9 | Very high | 142 Ų | 142 | 99.7 Ų | 99.7 | 54% | 0.536 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 173 | -76.7 | -174.7 | -76.3 | 171.4 | -8.1 | 112.4 | Q585 K586 K587 N592 E593 | Q585-R589 PolarHBondContact O-N 2.87Å; K586-R589 PolarHBondContact O-N 3.24Å; K587-R589 VanDerWaalsContact C-N 3.3Å; K587-R589 PolarHBondContact O-N 3.48Å; R589-N592 PolarHBondContact O-N 2.88Å; R589-E593 WeakPolarHBondContact O-CG 3.27Å; R589-E593 PolarHBondContact O-N 3.07Å |
| 590 | I | 91 | Very high | 91.8 | Very high | 91 Ų | 91 | 99.5 Ų | 99.5 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 178.5 | -66.4 | 168.8 | 0 | 0 | 0 | 110.8 | K586 K587 N592 E593 I594 | K586-I590 WeakPolarHBondContact O-CG1 3.45Å; K586-I590 PolarHBondContact O-N 2.95Å; K587-I590 PolarHBondContact O-N 2.86Å; K587-I590 VanDerWaalsContact O-N 3.14Å; I590-N592 VanDerWaalsContact C-N 3.3Å; I590-N592 PolarHBondContact O-N 2.85Å; I590-E593 PolarHBondContact O-N 3.33Å; I590-I594 HydrophobicContact CG2-CD1 3.82Å; I590-I594 HydrophobicContact CG2-CG1 4.35Å; I590-I594 VanDerWaalsContact O-CG1 3.29Å; I590-I594 WeakPolarHBondContact O-CG1 3.37Å; I590-I594 PolarHBondContact O-N 3.1Å |
| 591 | D | 94.1 | Very high | 91.8 | Very high | 75 Ų | 75 | 100.6 Ų | 100.6 | 40% | 0.401 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 176.6 | -70.4 | -20 | 0 | 0 | 0 | 111.2 | K587 I594 A595 | K587-D591 VanDerWaalsContact CE-OD2 3.3Å; K587-D591 WeakPolarHBondContact CE-OD2 3.47Å; K587-D591 WeakPolarHBondContact O-CB 3.5Å; K587-D591 VanDerWaalsContact O-CG 3.32Å; K587-D591 PolarHBondContact O-N 3.46Å; D591-I594 PolarHBondContact O-N 3.4Å; D591-A595 WeakPolarHBondContact O-CB 3.38Å; D591-A595 PolarHBondContact O-N 3.46Å |
| 592 | N | 92.9 | Very high | 92 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 174.3 | -75 | -15.1 | 0 | 0 | 0 | 112.6 | L588 R589 I590 A595 I596 | L588-N592 WeakPolarHBondContact O-CB 3.42Å; L588-N592 VanDerWaalsContact O-CG 3.25Å; L588-N592 PolarHBondContact O-N 3.24Å; L588-N592 VanDerWaalsContact O-N 3.08Å; L588-N592 PolarHBondContact O-ND2 2.98Å; R589-N592 PolarHBondContact O-N 2.88Å; I590-N592 VanDerWaalsContact C-N 3.3Å; I590-N592 PolarHBondContact O-N 2.85Å; N592-A595 PolarHBondContact O-N 3.29Å; N592-I596 WeakPolarHBondContact O-CG1 3.33Å; N592-I596 PolarHBondContact O-N 3.04Å |
| 593 | E | 93.3 | Very high | 92 | Very high | 119 Ų | 119 | 101.2 Ų | 101.2 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 174.8 | -74.2 | 169.4 | -167.4 | 0 | 0 | 111.2 | R589 I590 A595 I596 Q597 | R589-E593 WeakPolarHBondContact O-CG 3.27Å; R589-E593 PolarHBondContact O-N 3.07Å; I590-E593 PolarHBondContact O-N 3.33Å; E593-A595 VanDerWaalsContact C-N 3.34Å; E593-A595 PolarHBondContact O-N 3.31Å; E593-I596 PolarHBondContact O-N 3.27Å; E593-Q597 WeakPolarHBondContact O-CG 3.28Å; E593-Q597 PolarHBondContact O-N 3.22Å |
| 594 | I | 89.6 | Confident | 91.9 | Very high | 83 Ų | 83 | 100.7 Ų | 100.7 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 174.1 | -68.7 | 167.7 | 0 | 0 | 0 | 110.3 | I590 D591 I596 Q597 E598 | I590-I594 HydrophobicContact CG2-CD1 3.82Å; I590-I594 HydrophobicContact CG2-CG1 4.35Å; I590-I594 VanDerWaalsContact O-CG1 3.29Å; I590-I594 WeakPolarHBondContact O-CG1 3.37Å; I590-I594 PolarHBondContact O-N 3.1Å; D591-I594 PolarHBondContact O-N 3.4Å; I594-I596 VanDerWaalsContact C-N 3.28Å; I594-I596 PolarHBondContact O-N 2.94Å; I594-Q597 PolarHBondContact O-N 3.22Å; I594-E598 HydrophobicContact CG2-CG 4.31Å; I594-E598 WeakPolarHBondContact O-CB 3.5Å; I594-E598 WeakPolarHBondContact O-CG 3.5Å; I594-E598 PolarHBondContact O-N 3.45Å |
| 595 | A | 92.7 | Very high | 91.9 | Very high | 40 Ų | 40 | 102.9 Ų | 102.9 | 33% | 0.331 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -28.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D591 N592 E593 R599 | D591-A595 WeakPolarHBondContact O-CB 3.38Å; D591-A595 PolarHBondContact O-N 3.46Å; N592-A595 PolarHBondContact O-N 3.29Å; E593-A595 VanDerWaalsContact C-N 3.34Å; E593-A595 PolarHBondContact O-N 3.31Å; A595-R599 WeakPolarHBondContact O-CG 3.29Å; A595-R599 PolarHBondContact O-N 3.27Å; A595-R599 PolarHBondContact O-NE 3.49Å |
| 596 | I | 92.9 | Very high | 91.8 | Very high | 73 Ų | 73 | 103.5 Ų | 103.5 | 37% | 0.374 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.1 | -50 | 170.9 | -68.5 | 163.6 | 0 | 0 | 0 | 109.7 | N592 E593 I594 E598 R599 E600 | N592-I596 WeakPolarHBondContact O-CG1 3.33Å; N592-I596 PolarHBondContact O-N 3.04Å; E593-I596 PolarHBondContact O-N 3.27Å; I594-I596 VanDerWaalsContact C-N 3.28Å; I594-I596 PolarHBondContact O-N 2.94Å; I596-E598 VanDerWaalsContact C-N 3.3Å; I596-E598 PolarHBondContact O-N 3.47Å; I596-R599 WeakPolarHBondContact O-CB 3.48Å; I596-R599 PolarHBondContact O-N 2.9Å; I596-E600 HydrophobicContact CG2-CG 4.49Å; I596-E600 PolarHBondContact O-N 3.5Å |
| 597 | Q | 91.6 | Very high | 91.8 | Very high | 114 Ų | 114 | 103.9 Ų | 103.9 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -36 | 178.9 | -69.8 | -62.3 | -50.1 | 0 | 0 | 112.7 | E593 I594 E600 K601 | E593-Q597 WeakPolarHBondContact O-CG 3.28Å; E593-Q597 PolarHBondContact O-N 3.22Å; I594-Q597 PolarHBondContact O-N 3.22Å; Q597-E600 PolarHBondContact NE2-OE2 2.99Å; Q597-E600 PolarHBondContact O-N 3.27Å; Q597-K601 VanDerWaalsContact O-CB 3.23Å; Q597-K601 WeakPolarHBondContact O-CB 3.24Å; Q597-K601 PolarHBondContact O-N 3.03Å |
| 598 | E | 91.4 | Very high | 91.6 | Very high | 117 Ų | 117 | 102.4 Ų | 102.4 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 173.9 | -76.7 | -173.6 | 161.4 | 0 | 0 | 112.7 | I594 I596 N602 | I594-E598 HydrophobicContact CG2-CG 4.31Å; I594-E598 WeakPolarHBondContact O-CB 3.5Å; I594-E598 WeakPolarHBondContact O-CG 3.5Å; I594-E598 PolarHBondContact O-N 3.45Å; I596-E598 VanDerWaalsContact C-N 3.3Å; I596-E598 PolarHBondContact O-N 3.47Å; E598-N602 WeakPolarHBondContact O-CB 3.46Å; E598-N602 PolarHBondContact O-N 3.42Å; E598-N602 PolarHBondContact O-ND2 2.88Å; E598-N602 VanDerWaalsContact O-ND2 3.15Å |
| 599 | R | 91.4 | Very high | 91.6 | Very high | 155 Ų | 155 | 103.8 Ų | 103.8 | 59% | 0.585 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.5 | -49.1 | 173 | -78.6 | -177.1 | -77 | 153.3 | -8.2 | 111.1 | A595 I596 K601 N602 D603 | A595-R599 WeakPolarHBondContact O-CG 3.29Å; A595-R599 PolarHBondContact O-N 3.27Å; A595-R599 PolarHBondContact O-NE 3.49Å; I596-R599 WeakPolarHBondContact O-CB 3.48Å; I596-R599 PolarHBondContact O-N 2.9Å; R599-K601 VanDerWaalsContact C-N 3.33Å; R599-K601 PolarHBondContact O-N 2.94Å; R599-N602 WeakPolarHBondContact O-CB 3.31Å; R599-N602 PolarHBondContact O-N 2.8Å; R599-D603 PolarHBondContact O-N 3.14Å |
| 600 | E | 90.5 | Very high | 91.4 | Very high | 91 Ų | 91 | 103.1 Ų | 103.1 | 43% | 0.425 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 176 | -71 | 174.6 | -179 | 0 | 0 | 111.6 | I596 Q597 N602 D603 L604 | I596-E600 HydrophobicContact CG2-CG 4.49Å; I596-E600 PolarHBondContact O-N 3.5Å; Q597-E600 PolarHBondContact NE2-OE2 2.99Å; Q597-E600 PolarHBondContact O-N 3.27Å; E600-N602 VanDerWaalsContact C-N 3.3Å; E600-N602 PolarHBondContact O-N 2.96Å; E600-D603 PolarHBondContact O-N 3.36Å; E600-L604 WeakPolarHBondContact O-CB 3.27Å; E600-L604 WeakPolarHBondContact O-CG 3.47Å; E600-L604 PolarHBondContact O-N 3.33Å |
| 601 | K | 89.8 | Confident | 91.5 | Very high | 125 Ų | 125 | 103.6 Ų | 103.6 | 54% | 0.543 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.1 | -39.8 | 174.6 | 179.1 | -178.8 | 178 | 179 | 0 | 112.4 | Q597 R599 K605 | Q597-K601 VanDerWaalsContact O-CB 3.23Å; Q597-K601 WeakPolarHBondContact O-CB 3.24Å; Q597-K601 PolarHBondContact O-N 3.03Å; R599-K601 VanDerWaalsContact C-N 3.33Å; R599-K601 PolarHBondContact O-N 2.94Å; K601-K605 WeakPolarHBondContact O-CB 3.48Å; K601-K605 VanDerWaalsContact O-CG 3.31Å; K601-K605 WeakPolarHBondContact O-CG 3.43Å; K601-K605 PolarHBondContact O-N 3.04Å |
| 602 | N | 93 | Very high | 91.3 | Very high | 82 Ų | 82 | 105.6 Ų | 105.6 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.1 | -36.2 | 178.2 | -74.3 | -26.2 | 0 | 0 | 0 | 112 | E598 R599 E600 K605 K606 | E598-N602 WeakPolarHBondContact O-CB 3.46Å; E598-N602 PolarHBondContact O-N 3.42Å; E598-N602 PolarHBondContact O-ND2 2.88Å; E598-N602 VanDerWaalsContact O-ND2 3.15Å; R599-N602 WeakPolarHBondContact O-CB 3.31Å; R599-N602 PolarHBondContact O-N 2.8Å; E600-N602 VanDerWaalsContact C-N 3.3Å; E600-N602 PolarHBondContact O-N 2.96Å; N602-K605 PolarHBondContact O-N 3.43Å; N602-K606 WeakPolarHBondContact O-CG 3.4Å; N602-K606 PolarHBondContact O-N 3.38Å; N602-K606 VanDerWaalsContact O-N 3.13Å |
| 603 | D | 91.9 | Very high | 91.3 | Very high | 78 Ų | 78 | 105.2 Ų | 105.2 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.6 | -43.8 | 176.3 | -66.5 | -26.8 | 0 | 0 | 0 | 111.3 | R599 E600 K605 K606 E607 | R599-D603 PolarHBondContact O-N 3.14Å; E600-D603 PolarHBondContact O-N 3.36Å; D603-K605 VanDerWaalsContact C-N 3.28Å; D603-K605 PolarHBondContact O-N 2.83Å; D603-K606 WeakPolarHBondContact O-CA 3.41Å; D603-K606 WeakPolarHBondContact O-CB 3.45Å; D603-K606 PolarHBondContact O-N 3.2Å; D603-K606 IonicContact OD1-NZ 2.79Å; D603-K606 PolarHBondContact OD1-NZ 3.46Å; D603-E607 PolarHBondContact O-N 3.21Å |
| 604 | L | 91.3 | Very high | 91.2 | Very high | 102 Ų | 102 | 102.7 Ų | 102.7 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -37.2 | 171.4 | -72.1 | 173.3 | 0 | 0 | 0 | 112.7 | E600 K606 E607 L608 | E600-L604 WeakPolarHBondContact O-CB 3.27Å; E600-L604 WeakPolarHBondContact O-CG 3.47Å; E600-L604 PolarHBondContact O-N 3.33Å; L604-K606 VanDerWaalsContact C-N 3.35Å; L604-E607 PolarHBondContact O-N 2.95Å; L604-L608 WeakPolarHBondContact O-CB 3.47Å; L604-L608 PolarHBondContact O-N 3.45Å |
| 605 | K | 90.7 | Very high | 91.2 | Very high | 119 Ų | 119 | 103.2 Ų | 103.2 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 173.1 | -82.3 | 177.4 | 176.7 | -176.3 | 0 | 112.5 | K601 N602 D603 K609 | K601-K605 WeakPolarHBondContact O-CB 3.48Å; K601-K605 VanDerWaalsContact O-CG 3.31Å; K601-K605 WeakPolarHBondContact O-CG 3.43Å; K601-K605 PolarHBondContact O-N 3.04Å; N602-K605 PolarHBondContact O-N 3.43Å; D603-K605 VanDerWaalsContact C-N 3.28Å; D603-K605 PolarHBondContact O-N 2.83Å; K605-K609 WeakPolarHBondContact O-CB 3.42Å; K605-K609 PolarHBondContact O-N 3.14Å |
| 606 | K | 90.6 | Very high | 91.2 | Very high | 131 Ų | 131 | 105.2 Ų | 105.2 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.8 | -42.8 | 175.9 | -67.2 | 168.3 | -164.4 | 157.7 | 0 | 110.7 | N602 D603 L604 K609 H610 | N602-K606 WeakPolarHBondContact O-CG 3.4Å; N602-K606 PolarHBondContact O-N 3.38Å; N602-K606 VanDerWaalsContact O-N 3.13Å; D603-K606 WeakPolarHBondContact O-CA 3.41Å; D603-K606 WeakPolarHBondContact O-CB 3.45Å; D603-K606 PolarHBondContact O-N 3.2Å; D603-K606 IonicContact OD1-NZ 2.79Å; D603-K606 PolarHBondContact OD1-NZ 3.46Å; L604-K606 VanDerWaalsContact C-N 3.35Å; K606-K609 PolarHBondContact O-N 2.94Å; K606-H610 PolarHBondContact O-N 3.26Å |
| 607 | E | 90.9 | Very high | 91.1 | Very high | 115 Ų | 115 | 109.6 Ų | 109.6 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.5 | -71.3 | 178.3 | -177.8 | 0 | 0 | 111.7 | D603 L604 K609 H610 L611 | D603-E607 PolarHBondContact O-N 3.21Å; L604-E607 PolarHBondContact O-N 2.95Å; E607-K609 VanDerWaalsContact C-N 3.29Å; E607-K609 PolarHBondContact O-N 3.01Å; E607-H610 WeakPolarHBondContact O-CA 3.36Å; E607-H610 WeakPolarHBondContact O-CB 3.42Å; E607-H610 PolarHBondContact O-N 3.03Å; E607-H610 VanDerWaalsContact O-N 3.08Å; E607-L611 PolarHBondContact O-N 3.42Å |
| 608 | L | 89.2 | Confident | 91 | Very high | 100 Ų | 100 | 108.6 Ų | 108.6 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.8 | -41.2 | 173.8 | -93.4 | 164.8 | 0 | 0 | 0 | 112.1 | L604 L611 Q612 | L604-L608 WeakPolarHBondContact O-CB 3.47Å; L604-L608 PolarHBondContact O-N 3.45Å; L608-L611 PolarHBondContact O-N 3.12Å; L608-Q612 WeakPolarHBondContact O-CB 3.49Å; L608-Q612 VanDerWaalsContact O-CG 3.25Å; L608-Q612 WeakPolarHBondContact O-CG 3.49Å; L608-Q612 PolarHBondContact O-N 3.27Å |
| 609 | K | 92.2 | Very high | 91 | Very high | 137 Ų | 137 | 107.3 Ų | 107.3 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.1 | -38 | 175.8 | -169 | 178.3 | -178.9 | -178.7 | 0 | 111.7 | K605 K606 E607 N613 | K605-K609 WeakPolarHBondContact O-CB 3.42Å; K605-K609 PolarHBondContact O-N 3.14Å; K606-K609 PolarHBondContact O-N 2.94Å; E607-K609 VanDerWaalsContact C-N 3.29Å; E607-K609 PolarHBondContact O-N 3.01Å; K609-N613 PolarHBondContact O-N 3.44Å; K609-N613 PolarHBondContact O-ND2 2.91Å; K609-N613 PolarHBondContact O-OD1 3.12Å |
| 610 | H | 89.3 | Confident | 91 | Very high | 128 Ų | 128 | 103.6 Ų | 103.6 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -50.4 | 172.7 | -109.2 | 60.3 | 0 | 0 | 0 | 111.4 | K606 E607 Q612 N613 D614 | K606-H610 PolarHBondContact O-N 3.26Å; E607-H610 WeakPolarHBondContact O-CA 3.36Å; E607-H610 WeakPolarHBondContact O-CB 3.42Å; E607-H610 PolarHBondContact O-N 3.03Å; E607-H610 VanDerWaalsContact O-N 3.08Å; H610-Q612 VanDerWaalsContact C-N 3.33Å; H610-Q612 PolarHBondContact O-N 3.25Å; H610-N613 WeakPolarHBondContact O-CB 3.44Å; H610-N613 PolarHBondContact O-N 3.11Å; H610-N613 VanDerWaalsContact O-N 3.09Å; H610-D614 PolarHBondContact O-N 3.34Å |
| 611 | L | 91.5 | Very high | 91 | Very high | 100 Ų | 100 | 104.6 Ų | 104.6 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 177.4 | -77.9 | 161.4 | 0 | 0 | 0 | 112.4 | E607 L608 N613 D614 I615 | E607-L611 PolarHBondContact O-N 3.42Å; L608-L611 PolarHBondContact O-N 3.12Å; L611-N613 VanDerWaalsContact C-N 3.35Å; L611-D614 PolarHBondContact O-N 3.26Å; L611-I615 WeakPolarHBondContact O-CB 3.36Å; L611-I615 VanDerWaalsContact O-CG1 3.24Å; L611-I615 WeakPolarHBondContact O-CG1 3.46Å; L611-I615 PolarHBondContact O-N 2.84Å |
| 612 | Q | 89.6 | Confident | 91.1 | Very high | 117 Ų | 117 | 102.5 Ų | 102.5 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 173.8 | -77.7 | 174.8 | -11.2 | 0 | 0 | 111.5 | L608 H610 D614 I615 T616 | L608-Q612 WeakPolarHBondContact O-CB 3.49Å; L608-Q612 VanDerWaalsContact O-CG 3.25Å; L608-Q612 WeakPolarHBondContact O-CG 3.49Å; L608-Q612 PolarHBondContact O-N 3.27Å; H610-Q612 VanDerWaalsContact C-N 3.33Å; H610-Q612 PolarHBondContact O-N 3.25Å; Q612-D614 VanDerWaalsContact C-N 3.34Å; Q612-D614 PolarHBondContact O-N 3.03Å; Q612-I615 PolarHBondContact O-N 3.2Å; Q612-T616 WeakPolarHBondContact O-CG2 3.32Å; Q612-T616 PolarHBondContact O-N 3.36Å; Q612-T616 PolarHBondContact O-OG1 3.5Å |
| 613 | N | 92.9 | Very high | 91 | Very high | 83 Ų | 83 | 101.2 Ų | 101.2 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.7 | -67.9 | -18.2 | 0 | 0 | 0 | 111.4 | K609 H610 L611 T616 R617 | K609-N613 PolarHBondContact O-N 3.44Å; K609-N613 PolarHBondContact O-ND2 2.91Å; K609-N613 PolarHBondContact O-OD1 3.12Å; H610-N613 WeakPolarHBondContact O-CB 3.44Å; H610-N613 PolarHBondContact O-N 3.11Å; H610-N613 VanDerWaalsContact O-N 3.09Å; L611-N613 VanDerWaalsContact C-N 3.35Å; N613-T616 WeakPolarHBondContact CA-OG1 3.36Å; N613-T616 PolarHBondContact O-N 2.87Å; N613-T616 PolarHBondContact O-OG1 3.41Å; N613-R617 WeakPolarHBondContact O-CB 3.49Å; N613-R617 PolarHBondContact O-N 2.79Å |
| 614 | D | 91.8 | Very high | 91 | Very high | 67 Ų | 67 | 104.3 Ų | 104.3 | 36% | 0.358 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 177.5 | -71.6 | -24.3 | 0 | 0 | 0 | 111.9 | H610 L611 Q612 T616 R617 I618 | H610-D614 PolarHBondContact O-N 3.34Å; L611-D614 PolarHBondContact O-N 3.26Å; Q612-D614 VanDerWaalsContact C-N 3.34Å; Q612-D614 PolarHBondContact O-N 3.03Å; D614-T616 VanDerWaalsContact C-N 3.34Å; D614-T616 PolarHBondContact O-N 3.19Å; D614-R617 PolarHBondContact O-N 2.86Å; D614-I618 WeakPolarHBondContact O-CB 3.45Å; D614-I618 VanDerWaalsContact O-CG1 3.26Å; D614-I618 WeakPolarHBondContact O-CG1 3.35Å; D614-I618 PolarHBondContact O-N 2.92Å |
| 615 | I | 90.3 | Very high | 91 | Very high | 94 Ų | 94 | 105.4 Ų | 105.4 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 172.5 | -70.8 | 165.1 | 0 | 0 | 0 | 110.3 | L611 Q612 R617 I618 N619 | L611-I615 WeakPolarHBondContact O-CB 3.36Å; L611-I615 VanDerWaalsContact O-CG1 3.24Å; L611-I615 WeakPolarHBondContact O-CG1 3.46Å; L611-I615 PolarHBondContact O-N 2.84Å; Q612-I615 PolarHBondContact O-N 3.2Å; I615-R617 VanDerWaalsContact C-N 3.34Å; I615-R617 PolarHBondContact O-N 3.49Å; I615-I618 PolarHBondContact O-N 3.43Å; I615-N619 VanDerWaalsContact O-CB 3.3Å; I615-N619 WeakPolarHBondContact O-CB 3.38Å; I615-N619 PolarHBondContact O-N 3.25Å; I615-N619 PolarHBondContact O-ND2 2.89Å |
| 616 | T | 91.4 | Very high | 91.1 | Very high | 81 Ų | 81 | 105.5 Ų | 105.5 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 176.6 | 60 | 0 | 0 | 0 | 0 | 111.7 | Q612 N613 D614 N619 T620 | Q612-T616 WeakPolarHBondContact O-CG2 3.32Å; Q612-T616 PolarHBondContact O-N 3.36Å; Q612-T616 PolarHBondContact O-OG1 3.5Å; N613-T616 WeakPolarHBondContact CA-OG1 3.36Å; N613-T616 PolarHBondContact O-N 2.87Å; N613-T616 PolarHBondContact O-OG1 3.41Å; D614-T616 VanDerWaalsContact C-N 3.34Å; D614-T616 PolarHBondContact O-N 3.19Å; T616-N619 PolarHBondContact O-N 3.02Å; T616-T620 VanDerWaalsContact O-CG2 3.31Å; T616-T620 WeakPolarHBondContact O-CG2 3.34Å; T616-T620 PolarHBondContact O-N 2.98Å; T616-T620 PolarHBondContact O-OG1 3.46Å |
| 617 | R | 91.7 | Very high | 91 | Very high | 165 Ų | 165 | 103.2 Ų | 103.2 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -48.5 | 176.7 | -179.3 | -176.8 | -94.8 | 163.4 | -10.5 | 111.2 | N613 D614 I615 N619 T620 M621 | N613-R617 WeakPolarHBondContact O-CB 3.49Å; N613-R617 PolarHBondContact O-N 2.79Å; D614-R617 PolarHBondContact O-N 2.86Å; I615-R617 VanDerWaalsContact C-N 3.34Å; I615-R617 PolarHBondContact O-N 3.49Å; R617-N619 PolarHBondContact O-N 3.49Å; R617-T620 WeakPolarHBondContact CA-OG1 3.44Å; R617-T620 PolarHBondContact O-N 2.8Å; R617-T620 PolarHBondContact O-OG1 3.15Å; R617-M621 WeakPolarHBondContact O-CG 3.44Å; R617-M621 PolarHBondContact O-N 3.41Å |
| 618 | I | 90.1 | Very high | 91.1 | Very high | 93 Ų | 93 | 100.8 Ų | 100.8 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 177.8 | -69.4 | 167 | 0 | 0 | 0 | 110.3 | D614 I615 T620 M621 I622 | D614-I618 WeakPolarHBondContact O-CB 3.45Å; D614-I618 VanDerWaalsContact O-CG1 3.26Å; D614-I618 WeakPolarHBondContact O-CG1 3.35Å; D614-I618 PolarHBondContact O-N 2.92Å; I615-I618 PolarHBondContact O-N 3.43Å; I618-T620 VanDerWaalsContact C-N 3.31Å; I618-T620 PolarHBondContact O-N 2.87Å; I618-M621 CarbonylContact O-C 3.58Å; I618-M621 WeakPolarHBondContact O-CB 3.26Å; I618-M621 PolarHBondContact O-N 3.35Å; I618-I622 HydrophobicContact CG2-CD1 3.68Å; I618-I622 HydrophobicContact CG2-CG1 4.22Å; I618-I622 WeakPolarHBondContact O-CG1 3.38Å; I618-I622 PolarHBondContact O-N 2.84Å |
| 619 | N | 90.9 | Very high | 91.1 | Very high | 91 Ų | 91 | 102.4 Ų | 102.4 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 176.7 | -72.8 | -18.5 | 0 | 0 | 0 | 112.1 | I615 T616 R617 M621 I622 A623 | I615-N619 VanDerWaalsContact O-CB 3.3Å; I615-N619 WeakPolarHBondContact O-CB 3.38Å; I615-N619 PolarHBondContact O-N 3.25Å; I615-N619 PolarHBondContact O-ND2 2.89Å; T616-N619 PolarHBondContact O-N 3.02Å; R617-N619 PolarHBondContact O-N 3.49Å; N619-M621 VanDerWaalsContact C-N 3.34Å; N619-I622 PolarHBondContact O-N 3.39Å; N619-A623 WeakPolarHBondContact O-CB 3.3Å; N619-A623 PolarHBondContact O-N 3.31Å |
| 620 | T | 91.1 | Very high | 91.1 | Very high | 76 Ų | 76 | 101.6 Ų | 101.6 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 173.4 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | T616 R617 I618 K624 | T616-T620 VanDerWaalsContact O-CG2 3.31Å; T616-T620 WeakPolarHBondContact O-CG2 3.34Å; T616-T620 PolarHBondContact O-N 2.98Å; T616-T620 PolarHBondContact O-OG1 3.46Å; R617-T620 WeakPolarHBondContact CA-OG1 3.44Å; R617-T620 PolarHBondContact O-N 2.8Å; R617-T620 PolarHBondContact O-OG1 3.15Å; I618-T620 VanDerWaalsContact C-N 3.31Å; I618-T620 PolarHBondContact O-N 2.87Å; T620-K624 WeakPolarHBondContact O-CG 3.43Å; T620-K624 PolarHBondContact O-N 3.4Å; T620-K624 VanDerWaalsContact O-N 3.11Å |
| 621 | M | 91.6 | Very high | 91.2 | Very high | 112 Ų | 112 | 102.9 Ų | 102.9 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69 | -44.1 | 174.2 | -71.8 | -178 | 63.6 | 0 | 0 | 111.5 | R617 I618 N619 A623 K624 E625 | R617-M621 WeakPolarHBondContact O-CG 3.44Å; R617-M621 PolarHBondContact O-N 3.41Å; I618-M621 CarbonylContact O-C 3.58Å; I618-M621 WeakPolarHBondContact O-CB 3.26Å; I618-M621 PolarHBondContact O-N 3.35Å; N619-M621 VanDerWaalsContact C-N 3.34Å; M621-A623 VanDerWaalsContact C-N 3.32Å; M621-A623 PolarHBondContact O-N 2.97Å; M621-K624 PolarHBondContact O-N 3.12Å; M621-E625 WeakPolarHBondContact O-CG 3.29Å; M621-E625 PolarHBondContact O-N 2.99Å |
| 622 | I | 91.2 | Very high | 91.2 | Very high | 82 Ų | 82 | 102.6 Ų | 102.6 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 176 | -68.2 | 168.9 | 0 | 0 | 0 | 110.6 | I618 N619 K624 E625 K626 | I618-I622 HydrophobicContact CG2-CD1 3.68Å; I618-I622 HydrophobicContact CG2-CG1 4.22Å; I618-I622 WeakPolarHBondContact O-CG1 3.38Å; I618-I622 PolarHBondContact O-N 2.84Å; N619-I622 PolarHBondContact O-N 3.39Å; I622-K624 VanDerWaalsContact C-N 3.34Å; I622-K624 PolarHBondContact O-N 3.01Å; I622-E625 PolarHBondContact O-N 3.47Å; I622-K626 HydrophobicContact CG2-CD 4.33Å; I622-K626 HydrophobicContact CG2-CG 4.45Å; I622-K626 WeakPolarHBondContact O-CB 3.49Å; I622-K626 WeakPolarHBondContact O-CG 3.45Å; I622-K626 PolarHBondContact O-N 2.76Å |
| 623 | A | 91.3 | Very high | 91.2 | Very high | 55 Ų | 55 | 100.4 Ų | 100.4 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N619 M621 K626 T627 | N619-A623 WeakPolarHBondContact O-CB 3.3Å; N619-A623 PolarHBondContact O-N 3.31Å; M621-A623 VanDerWaalsContact C-N 3.32Å; M621-A623 PolarHBondContact O-N 2.97Å; A623-K626 PolarHBondContact O-N 3.35Å; A623-T627 WeakPolarHBondContact O-CG2 3.43Å; A623-T627 PolarHBondContact O-N 2.86Å; A623-T627 PolarHBondContact O-OG1 2.62Å |
| 624 | K | 92.2 | Very high | 91.2 | Very high | 143 Ų | 143 | 100.8 Ų | 100.8 | 62% | 0.622 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.8 | -47.6 | 175 | -74.1 | 175.8 | 180 | -176 | 0 | 112.1 | T620 M621 I622 K626 T627 T628 | T620-K624 WeakPolarHBondContact O-CG 3.43Å; T620-K624 PolarHBondContact O-N 3.4Å; T620-K624 VanDerWaalsContact O-N 3.11Å; M621-K624 PolarHBondContact O-N 3.12Å; I622-K624 VanDerWaalsContact C-N 3.34Å; I622-K624 PolarHBondContact O-N 3.01Å; K624-K626 VanDerWaalsContact C-N 3.34Å; K624-K626 PolarHBondContact O-N 2.68Å; K624-T627 WeakPolarHBondContact CA-OG1 3.43Å; K624-T627 PolarHBondContact O-N 3.25Å; K624-T627 VanDerWaalsContact O-N 3.17Å; K624-T627 PolarHBondContact O-OG1 2.76Å; K624-T628 PolarHBondContact O-N 3.07Å; K624-T628 PolarHBondContact O-OG1 3.32Å |
| 625 | E | 91.3 | Very high | 91.2 | Very high | 125 Ų | 125 | 101.9 Ų | 101.9 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.2 | -41.5 | 178.3 | -76.8 | -64 | 160.9 | 0 | 0 | 112 | M621 I622 T627 T628 E629 | M621-E625 WeakPolarHBondContact O-CG 3.29Å; M621-E625 PolarHBondContact O-N 2.99Å; I622-E625 PolarHBondContact O-N 3.47Å; E625-T627 PolarHBondContact O-N 2.86Å; E625-T628 VanDerWaalsContact CA-OG1 3.26Å; E625-T628 WeakPolarHBondContact CA-OG1 3.44Å; E625-T628 PolarHBondContact O-N 2.89Å; E625-T628 PolarHBondContact O-OG1 2.88Å; E625-E629 VanDerWaalsContact O-CB 3.29Å; E625-E629 WeakPolarHBondContact O-CB 3.3Å; E625-E629 PolarHBondContact O-N 2.82Å |
| 626 | K | 91 | Very high | 91.1 | Very high | 120 Ų | 120 | 101.7 Ų | 101.7 | 52% | 0.522 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 173.3 | -78.3 | -174.3 | 174.8 | -169.1 | 0 | 112.2 | I622 A623 K624 T628 E629 E630 | I622-K626 HydrophobicContact CG2-CD 4.33Å; I622-K626 HydrophobicContact CG2-CG 4.45Å; I622-K626 WeakPolarHBondContact O-CB 3.49Å; I622-K626 WeakPolarHBondContact O-CG 3.45Å; I622-K626 PolarHBondContact O-N 2.76Å; A623-K626 PolarHBondContact O-N 3.35Å; K624-K626 VanDerWaalsContact C-N 3.34Å; K624-K626 PolarHBondContact O-N 2.68Å; K626-T628 VanDerWaalsContact C-N 3.3Å; K626-T628 PolarHBondContact O-N 3.21Å; K626-E629 PolarHBondContact O-N 2.83Å; K626-E630 WeakPolarHBondContact O-CB 3.49Å; K626-E630 WeakPolarHBondContact O-CG 3.38Å; K626-E630 PolarHBondContact O-N 3.46Å |
| 627 | T | 89.6 | Confident | 91.1 | Very high | 83 Ų | 83 | 102.5 Ų | 102.5 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 177.4 | 55 | 0 | 0 | 0 | 0 | 112.7 | A623 K624 E625 Y631 | A623-T627 WeakPolarHBondContact O-CG2 3.43Å; A623-T627 PolarHBondContact O-N 2.86Å; A623-T627 PolarHBondContact O-OG1 2.62Å; K624-T627 WeakPolarHBondContact CA-OG1 3.43Å; K624-T627 PolarHBondContact O-N 3.25Å; K624-T627 VanDerWaalsContact O-N 3.17Å; K624-T627 PolarHBondContact O-OG1 2.76Å; E625-T627 PolarHBondContact O-N 2.86Å; T627-Y631 WeakPolarHBondContact O-CB 3.27Å; T627-Y631 PolarHBondContact O-N 2.9Å |
| 628 | T | 92.3 | Very high | 91 | Very high | 65 Ų | 65 | 100 Ų | 100 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74 | -37.4 | 175 | 46 | 0 | 0 | 0 | 0 | 112 | K624 E625 K626 Y631 L632 | K624-T628 PolarHBondContact O-N 3.07Å; K624-T628 PolarHBondContact O-OG1 3.32Å; E625-T628 VanDerWaalsContact CA-OG1 3.26Å; E625-T628 WeakPolarHBondContact CA-OG1 3.44Å; E625-T628 PolarHBondContact O-N 2.89Å; E625-T628 PolarHBondContact O-OG1 2.88Å; K626-T628 VanDerWaalsContact C-N 3.3Å; K626-T628 PolarHBondContact O-N 3.21Å; T628-Y631 PolarHBondContact O-N 2.86Å; T628-L632 WeakPolarHBondContact O-CB 3.36Å; T628-L632 VanDerWaalsContact O-CG 3.32Å; T628-L632 WeakPolarHBondContact O-CG 3.22Å; T628-L632 PolarHBondContact O-N 2.82Å |
| 629 | E | 90.6 | Very high | 91 | Very high | 133 Ų | 133 | 98.2 Ų | 98.2 | 62% | 0.621 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.8 | -48.8 | 173.5 | -175.4 | -179.5 | -176.3 | 0 | 0 | 110.8 | E625 K626 Y631 L632 D633 | E625-E629 VanDerWaalsContact O-CB 3.29Å; E625-E629 WeakPolarHBondContact O-CB 3.3Å; E625-E629 PolarHBondContact O-N 2.82Å; K626-E629 PolarHBondContact O-N 2.83Å; E629-Y631 VanDerWaalsContact C-N 3.32Å; E629-Y631 PolarHBondContact O-N 3.38Å; E629-L632 PolarHBondContact O-N 3.48Å; E629-D633 VanDerWaalsContact O-CB 3.29Å; E629-D633 WeakPolarHBondContact O-CB 3.44Å; E629-D633 PolarHBondContact O-N 3.11Å |
| 630 | E | 91.5 | Very high | 90.8 | Very high | 121 Ų | 121 | 99.4 Ų | 99.4 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.1 | -39.3 | 175.7 | -74.1 | 173.4 | -174.3 | 0 | 0 | 112.2 | K626 N634 | K626-E630 WeakPolarHBondContact O-CB 3.49Å; K626-E630 WeakPolarHBondContact O-CG 3.38Å; K626-E630 PolarHBondContact O-N 3.46Å; E630-N634 WeakPolarHBondContact O-CB 3.47Å; E630-N634 PolarHBondContact O-N 3.32Å; E630-N634 PolarHBondContact O-ND2 2.92Å |
| 631 | Y | 90.8 | Very high | 90.9 | Very high | 154 Ų | 154 | 100.5 Ų | 100.5 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -48.7 | 175.6 | 178.4 | -89.5 | 0 | 0 | 0 | 111.6 | T627 T628 E629 N634 E635 | T627-Y631 WeakPolarHBondContact O-CB 3.27Å; T627-Y631 PolarHBondContact O-N 2.9Å; T628-Y631 PolarHBondContact O-N 2.86Å; E629-Y631 VanDerWaalsContact C-N 3.32Å; E629-Y631 PolarHBondContact O-N 3.38Å; Y631-N634 PolarHBondContact O-N 2.83Å; Y631-E635 WeakPolarHBondContact CE1-OE2 3.36Å; Y631-E635 PolarHBondContact O-N 3.21Å |
| 632 | L | 91.2 | Very high | 90.8 | Very high | 94 Ų | 94 | 99.9 Ų | 99.9 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 179.1 | -72.4 | 171 | 0 | 0 | 0 | 112.3 | T628 E629 E635 N636 | T628-L632 WeakPolarHBondContact O-CB 3.36Å; T628-L632 VanDerWaalsContact O-CG 3.32Å; T628-L632 WeakPolarHBondContact O-CG 3.22Å; T628-L632 PolarHBondContact O-N 2.82Å; E629-L632 PolarHBondContact O-N 3.48Å; L632-E635 PolarHBondContact O-N 3.36Å; L632-N636 WeakPolarHBondContact O-CB 3.45Å; L632-N636 VanDerWaalsContact O-CG 3.24Å; L632-N636 PolarHBondContact O-N 3.37Å; L632-N636 PolarHBondContact O-ND2 2.87Å |
| 633 | D | 91.2 | Very high | 90.6 | Very high | 72 Ų | 72 | 102.8 Ų | 102.8 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.4 | -173.2 | 48.8 | 0 | 0 | 0 | 111.2 | E629 N636 K637 | E629-D633 VanDerWaalsContact O-CB 3.29Å; E629-D633 WeakPolarHBondContact O-CB 3.44Å; E629-D633 PolarHBondContact O-N 3.11Å; D633-N636 PolarHBondContact O-N 3.45Å; D633-K637 WeakPolarHBondContact O-CB 3.46Å; D633-K637 VanDerWaalsContact O-CG 3.26Å; D633-K637 WeakPolarHBondContact O-CG 3.17Å; D633-K637 PolarHBondContact O-N 3Å; D633-K637 IonicContact OD1-NZ 3.19Å; D633-K637 VanDerWaalsContact OD2-CE 3.23Å; D633-K637 WeakPolarHBondContact OD2-CE 3.5Å; D633-K637 IonicContact OD2-NZ 3.66Å; D633-K637 PolarHBondContact OD2-NZ 3.35Å |
| 634 | N | 91.7 | Very high | 90.7 | Very high | 91 Ų | 91 | 104.3 Ų | 104.3 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 173.2 | -73.2 | -33.7 | 0 | 0 | 0 | 112.3 | E630 Y631 K637 L638 | E630-N634 WeakPolarHBondContact O-CB 3.47Å; E630-N634 PolarHBondContact O-N 3.32Å; E630-N634 PolarHBondContact O-ND2 2.92Å; Y631-N634 PolarHBondContact O-N 2.83Å; N634-K637 PolarHBondContact O-N 2.99Å; N634-L638 WeakPolarHBondContact O-CB 3.28Å; N634-L638 VanDerWaalsContact O-CG 3.29Å; N634-L638 WeakPolarHBondContact O-CG 3.42Å; N634-L638 PolarHBondContact O-N 2.93Å |
| 635 | E | 91.6 | Very high | 90.6 | Very high | 89 Ų | 89 | 105 Ų | 105 | 42% | 0.416 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.9 | -168.5 | 174.4 | -177.5 | 0 | 0 | 111.5 | Y631 L632 L638 T639 | Y631-E635 WeakPolarHBondContact CE1-OE2 3.36Å; Y631-E635 PolarHBondContact O-N 3.21Å; L632-E635 PolarHBondContact O-N 3.36Å; E635-L638 PolarHBondContact O-N 3.26Å; E635-T639 WeakPolarHBondContact O-CG2 3.31Å; E635-T639 PolarHBondContact O-N 3.16Å; E635-T639 PolarHBondContact O-OG1 3.4Å; E635-T639 VanDerWaalsContact O-OG1 3.11Å |
| 636 | N | 89.9 | Confident | 90.6 | Very high | 90 Ų | 90 | 101.9 Ų | 101.9 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 174.4 | -73.5 | -21.9 | 0 | 0 | 0 | 111.6 | L632 D633 L638 T639 E640 | L632-N636 WeakPolarHBondContact O-CB 3.45Å; L632-N636 VanDerWaalsContact O-CG 3.24Å; L632-N636 PolarHBondContact O-N 3.37Å; L632-N636 PolarHBondContact O-ND2 2.87Å; D633-N636 PolarHBondContact O-N 3.45Å; N636-L638 VanDerWaalsContact C-N 3.34Å; N636-L638 PolarHBondContact O-N 2.86Å; N636-T639 WeakPolarHBondContact CA-OG1 3.3Å; N636-T639 PolarHBondContact O-N 2.89Å; N636-T639 PolarHBondContact O-OG1 3.2Å; N636-E640 WeakPolarHBondContact O-CB 3.49Å; N636-E640 WeakPolarHBondContact O-CG 3.36Å; N636-E640 PolarHBondContact O-N 2.88Å |
| 637 | K | 90.9 | Very high | 90.5 | Very high | 98 Ų | 98 | 101.2 Ų | 101.2 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175.7 | -78 | 167.4 | 177.4 | 163.2 | 0 | 112.3 | D633 N634 E640 I641 | D633-K637 WeakPolarHBondContact O-CB 3.46Å; D633-K637 VanDerWaalsContact O-CG 3.26Å; D633-K637 WeakPolarHBondContact O-CG 3.17Å; D633-K637 PolarHBondContact O-N 3Å; D633-K637 IonicContact OD1-NZ 3.19Å; D633-K637 VanDerWaalsContact OD2-CE 3.23Å; D633-K637 WeakPolarHBondContact OD2-CE 3.5Å; D633-K637 IonicContact OD2-NZ 3.66Å; D633-K637 PolarHBondContact OD2-NZ 3.35Å; N634-K637 PolarHBondContact O-N 2.99Å; K637-E640 PolarHBondContact O-N 2.72Å; K637-I641 WeakPolarHBondContact O-CB 3.37Å; K637-I641 WeakPolarHBondContact O-CD1 3.38Å; K637-I641 WeakPolarHBondContact O-CG1 3.29Å; K637-I641 PolarHBondContact O-N 3.47Å |
| 638 | L | 89.7 | Confident | 90.6 | Very high | 112 Ų | 112 | 103.2 Ų | 103.2 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -46.2 | 176.8 | -74.2 | 169.6 | 0 | 0 | 0 | 111.2 | N634 E635 N636 I641 D642 | N634-L638 WeakPolarHBondContact O-CB 3.28Å; N634-L638 VanDerWaalsContact O-CG 3.29Å; N634-L638 WeakPolarHBondContact O-CG 3.42Å; N634-L638 PolarHBondContact O-N 2.93Å; E635-L638 PolarHBondContact O-N 3.26Å; N636-L638 VanDerWaalsContact C-N 3.34Å; N636-L638 PolarHBondContact O-N 2.86Å; L638-I641 PolarHBondContact O-N 3.25Å; L638-D642 PolarHBondContact O-N 2.81Å |
| 639 | T | 89.2 | Confident | 90.5 | Very high | 56 Ų | 56 | 105 Ų | 105 | 34% | 0.344 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | E635 N636 D642 F643 | E635-T639 WeakPolarHBondContact O-CG2 3.31Å; E635-T639 PolarHBondContact O-N 3.16Å; E635-T639 PolarHBondContact O-OG1 3.4Å; E635-T639 VanDerWaalsContact O-OG1 3.11Å; N636-T639 WeakPolarHBondContact CA-OG1 3.3Å; N636-T639 PolarHBondContact O-N 2.89Å; N636-T639 PolarHBondContact O-OG1 3.2Å; T639-D642 PolarHBondContact O-N 3.34Å; T639-F643 WeakPolarHBondContact O-CD2 3.42Å; T639-F643 WeakPolarHBondContact O-CG 3.47Å; T639-F643 PolarHBondContact O-N 2.85Å |
| 640 | E | 87.3 | Confident | 90.5 | Very high | 116 Ų | 116 | 104.1 Ų | 104.1 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 172.2 | -79.2 | -175.9 | 174.4 | 0 | 0 | 112 | N636 K637 D642 F643 I644 | N636-E640 WeakPolarHBondContact O-CB 3.49Å; N636-E640 WeakPolarHBondContact O-CG 3.36Å; N636-E640 PolarHBondContact O-N 2.88Å; K637-E640 PolarHBondContact O-N 2.72Å; E640-D642 VanDerWaalsContact C-N 3.29Å; E640-D642 PolarHBondContact O-N 3.45Å; E640-F643 PolarHBondContact O-N 2.81Å; E640-I644 WeakPolarHBondContact O-CB 3.33Å; E640-I644 VanDerWaalsContact O-CG1 3.22Å; E640-I644 WeakPolarHBondContact O-CG1 3.48Å; E640-I644 PolarHBondContact O-N 3.43Å |
| 641 | I | 92 | Very high | 90.3 | Very high | 99 Ų | 99 | 104.4 Ų | 104.4 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 175.4 | -72.5 | 164.9 | 0 | 0 | 0 | 110.4 | K637 L638 I644 R645 | K637-I641 WeakPolarHBondContact O-CB 3.37Å; K637-I641 WeakPolarHBondContact O-CD1 3.38Å; K637-I641 WeakPolarHBondContact O-CG1 3.29Å; K637-I641 PolarHBondContact O-N 3.47Å; L638-I641 PolarHBondContact O-N 3.25Å; I641-I644 PolarHBondContact O-N 2.95Å; I641-R645 WeakPolarHBondContact O-CB 3.3Å; I641-R645 PolarHBondContact O-N 3.08Å |
| 642 | D | 90.3 | Very high | 90.2 | Very high | 100 Ų | 100 | 100.9 Ų | 100.9 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 176.9 | -73.1 | -21.7 | 0 | 0 | 0 | 111.8 | L638 T639 E640 R645 S646 | L638-D642 PolarHBondContact O-N 2.81Å; T639-D642 PolarHBondContact O-N 3.34Å; E640-D642 VanDerWaalsContact C-N 3.29Å; E640-D642 PolarHBondContact O-N 3.45Å; D642-R645 PolarHBondContact O-N 2.91Å; D642-S646 WeakPolarHBondContact O-CB 3.31Å; D642-S646 PolarHBondContact O-N 3.38Å |
| 643 | F | 87.4 | Confident | 90.2 | Very high | 142 Ų | 142 | 101 Ų | 101 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.4 | -44 | 174.3 | -78.8 | -55 | 0 | 0 | 0 | 112.4 | T639 E640 R645 S646 L647 | T639-F643 WeakPolarHBondContact O-CD2 3.42Å; T639-F643 WeakPolarHBondContact O-CG 3.47Å; T639-F643 PolarHBondContact O-N 2.85Å; E640-F643 PolarHBondContact O-N 2.81Å; F643-R645 VanDerWaalsContact C-N 3.34Å; F643-S646 PolarHBondContact O-N 3.15Å; F643-L647 WeakPolarHBondContact O-CB 3.45Å; F643-L647 WeakPolarHBondContact O-CG 3.5Å; F643-L647 PolarHBondContact O-N 2.85Å |
| 644 | I | 92.7 | Very high | 90 | Very high | 87 Ų | 87 | 100.2 Ų | 100.2 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 177 | -69.7 | 167.7 | 0 | 0 | 0 | 110.1 | E640 I641 L647 K648 | E640-I644 WeakPolarHBondContact O-CB 3.33Å; E640-I644 VanDerWaalsContact O-CG1 3.22Å; E640-I644 WeakPolarHBondContact O-CG1 3.48Å; E640-I644 PolarHBondContact O-N 3.43Å; I641-I644 PolarHBondContact O-N 2.95Å; I644-L647 PolarHBondContact O-N 3.47Å; I644-K648 HydrophobicContact CG2-CD 4.17Å; I644-K648 HydrophobicContact CG2-CG 4.45Å; I644-K648 WeakPolarHBondContact O-CB 3.34Å; I644-K648 WeakPolarHBondContact O-CG 3.45Å; I644-K648 PolarHBondContact O-N 2.78Å |
| 645 | R | 89.9 | Confident | 89.8 | Confident | 159 Ų | 159 | 98.5 Ų | 98.5 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.8 | -47.5 | 174.5 | 179.8 | -177.7 | -84.3 | -177.7 | -4.8 | 110.5 | I641 D642 F643 L647 K648 E649 | I641-R645 WeakPolarHBondContact O-CB 3.3Å; I641-R645 PolarHBondContact O-N 3.08Å; D642-R645 PolarHBondContact O-N 2.91Å; F643-R645 VanDerWaalsContact C-N 3.34Å; R645-L647 VanDerWaalsContact C-N 3.35Å; R645-L647 PolarHBondContact O-N 3.18Å; R645-K648 PolarHBondContact O-N 3.41Å; R645-E649 WeakPolarHBondContact O-CG 3.45Å; R645-E649 PolarHBondContact O-N 2.79Å |
| 646 | S | 91.9 | Very high | 89.7 | Confident | 58 Ų | 58 | 98.5 Ų | 98.5 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | D642 F643 E649 K650 | D642-S646 WeakPolarHBondContact O-CB 3.31Å; D642-S646 PolarHBondContact O-N 3.38Å; F643-S646 PolarHBondContact O-N 3.15Å; S646-E649 PolarHBondContact O-N 3.32Å; S646-K650 WeakPolarHBondContact O-CG 3.45Å; S646-K650 PolarHBondContact O-N 3.45Å |
| 647 | L | 89.4 | Confident | 89.7 | Confident | 106 Ų | 106 | 99.3 Ų | 99.3 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -45.7 | 174.5 | -82.8 | 164.6 | 0 | 0 | 0 | 111.4 | F643 I644 R645 E649 K650 E651 | F643-L647 WeakPolarHBondContact O-CB 3.45Å; F643-L647 WeakPolarHBondContact O-CG 3.5Å; F643-L647 PolarHBondContact O-N 2.85Å; I644-L647 PolarHBondContact O-N 3.47Å; R645-L647 VanDerWaalsContact C-N 3.35Å; R645-L647 PolarHBondContact O-N 3.18Å; L647-E649 VanDerWaalsContact C-N 3.32Å; L647-E649 PolarHBondContact O-N 3.26Å; L647-K650 CarbonylContact O-C 3.59Å; L647-K650 PolarHBondContact O-N 2.99Å; L647-E651 WeakPolarHBondContact O-CB 3.4Å; L647-E651 WeakPolarHBondContact O-CG 3.34Å; L647-E651 PolarHBondContact O-N 3.37Å |
| 648 | K | 90.3 | Very high | 89.6 | Confident | 126 Ų | 126 | 99.6 Ų | 99.6 | 55% | 0.548 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 175.8 | -76.8 | 179.9 | 177.4 | -179 | 0 | 112.2 | I644 R645 K650 E651 T652 | I644-K648 HydrophobicContact CG2-CD 4.17Å; I644-K648 HydrophobicContact CG2-CG 4.45Å; I644-K648 WeakPolarHBondContact O-CB 3.34Å; I644-K648 WeakPolarHBondContact O-CG 3.45Å; I644-K648 PolarHBondContact O-N 2.78Å; R645-K648 PolarHBondContact O-N 3.41Å; K648-K650 VanDerWaalsContact C-N 3.31Å; K648-K650 PolarHBondContact O-N 3.42Å; K648-E651 PolarHBondContact O-N 3.11Å; K648-T652 WeakPolarHBondContact O-CB 3.36Å; K648-T652 VanDerWaalsContact O-CG2 3.29Å; K648-T652 WeakPolarHBondContact O-CG2 3.47Å; K648-T652 PolarHBondContact O-N 3.17Å; K648-T652 PolarHBondContact O-OG1 3.48Å |
| 649 | E | 91 | Very high | 89.6 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 172.7 | -75.4 | 172.4 | -172.3 | 0 | 0 | 111.1 | R645 S646 L647 T652 E653 | R645-E649 WeakPolarHBondContact O-CG 3.45Å; R645-E649 PolarHBondContact O-N 2.79Å; S646-E649 PolarHBondContact O-N 3.32Å; L647-E649 VanDerWaalsContact C-N 3.32Å; L647-E649 PolarHBondContact O-N 3.26Å; E649-T652 WeakPolarHBondContact CA-OG1 3.47Å; E649-T652 PolarHBondContact O-OG1 2.92Å; E649-E653 WeakPolarHBondContact O-CG 3.48Å; E649-E653 PolarHBondContact O-N 2.88Å |
| 650 | K | 90.6 | Very high | 89.6 | Confident | 113 Ų | 113 | 102.7 Ų | 102.7 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.5 | -37 | 176.5 | -68.1 | -70 | 156.9 | -149.2 | 0 | 113.7 | S646 L647 K648 E653 A654 | S646-K650 WeakPolarHBondContact O-CG 3.45Å; S646-K650 PolarHBondContact O-N 3.45Å; L647-K650 CarbonylContact O-C 3.59Å; L647-K650 PolarHBondContact O-N 2.99Å; K648-K650 VanDerWaalsContact C-N 3.31Å; K648-K650 PolarHBondContact O-N 3.42Å; K650-E653 VanDerWaalsContact NZ-CD 3.27Å; K650-E653 IonicContact NZ-OE1 3.04Å; K650-E653 PolarHBondContact NZ-OE1 3.16Å; K650-E653 IonicContact NZ-OE2 2.69Å; K650-E653 PolarHBondContact NZ-OE2 3.38Å; K650-E653 PolarHBondContact O-N 3.19Å; K650-A654 WeakPolarHBondContact O-CB 3.4Å; K650-A654 PolarHBondContact O-N 3.15Å |
| 651 | E | 86.5 | Confident | 89.5 | Confident | 128 Ų | 128 | 100.7 Ų | 100.7 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | 174.3 | -75.5 | 178 | 167 | 0 | 0 | 111.2 | L647 K648 A654 A655 | L647-E651 WeakPolarHBondContact O-CB 3.4Å; L647-E651 WeakPolarHBondContact O-CG 3.34Å; L647-E651 PolarHBondContact O-N 3.37Å; K648-E651 PolarHBondContact O-N 3.11Å; E651-A654 PolarHBondContact O-N 2.87Å; E651-A655 VanDerWaalsContact O-CB 3.29Å; E651-A655 WeakPolarHBondContact O-CB 3.5Å; E651-A655 PolarHBondContact O-N 3.43Å |
| 652 | T | 90 | Very high | 89.4 | Confident | 79 Ų | 79 | 99.8 Ų | 99.8 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 174.7 | 48.4 | 0 | 0 | 0 | 0 | 111.6 | K648 E649 A654 A655 D656 | K648-T652 WeakPolarHBondContact O-CB 3.36Å; K648-T652 VanDerWaalsContact O-CG2 3.29Å; K648-T652 WeakPolarHBondContact O-CG2 3.47Å; K648-T652 PolarHBondContact O-N 3.17Å; K648-T652 PolarHBondContact O-OG1 3.48Å; E649-T652 WeakPolarHBondContact CA-OG1 3.47Å; E649-T652 PolarHBondContact O-OG1 2.92Å; T652-A654 VanDerWaalsContact C-N 3.31Å; T652-A654 PolarHBondContact O-N 3.38Å; T652-A655 PolarHBondContact O-N 2.87Å; T652-D656 WeakPolarHBondContact O-CB 3.49Å; T652-D656 VanDerWaalsContact O-CG 3.26Å; T652-D656 PolarHBondContact O-N 2.82Å |
| 653 | E | 89.8 | Confident | 89.2 | Confident | 96 Ų | 96 | 100.3 Ų | 100.3 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 171.2 | -76.9 | 175 | -164.6 | 0 | 0 | 112.4 | E649 K650 L657 | E649-E653 WeakPolarHBondContact O-CG 3.48Å; E649-E653 PolarHBondContact O-N 2.88Å; K650-E653 VanDerWaalsContact NZ-CD 3.27Å; K650-E653 IonicContact NZ-OE1 3.04Å; K650-E653 PolarHBondContact NZ-OE1 3.16Å; K650-E653 IonicContact NZ-OE2 2.69Å; K650-E653 PolarHBondContact NZ-OE2 3.38Å; K650-E653 PolarHBondContact O-N 3.19Å; E653-L657 WeakPolarHBondContact O-CG 3.44Å; E653-L657 PolarHBondContact O-N 2.88Å; E653-L657 VanDerWaalsContact O-N 3.08Å |
| 654 | A | 87.2 | Confident | 89.1 | Confident | 56 Ų | 56 | 96.3 Ų | 96.3 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.4 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K650 E651 T652 L657 Q658 | K650-A654 WeakPolarHBondContact O-CB 3.4Å; K650-A654 PolarHBondContact O-N 3.15Å; E651-A654 PolarHBondContact O-N 2.87Å; T652-A654 VanDerWaalsContact C-N 3.31Å; T652-A654 PolarHBondContact O-N 3.38Å; A654-L657 PolarHBondContact O-N 3.36Å; A654-Q658 WeakPolarHBondContact O-CB 3.39Å; A654-Q658 PolarHBondContact O-N 2.79Å |
| 655 | A | 88.3 | Confident | 88.8 | Confident | 56 Ų | 56 | 96.4 Ų | 96.4 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E651 T652 L657 Q658 E659 | E651-A655 VanDerWaalsContact O-CB 3.29Å; E651-A655 WeakPolarHBondContact O-CB 3.5Å; E651-A655 PolarHBondContact O-N 3.43Å; T652-A655 PolarHBondContact O-N 2.87Å; A655-L657 VanDerWaalsContact C-N 3.29Å; A655-L657 PolarHBondContact O-N 2.85Å; A655-Q658 PolarHBondContact O-N 3.21Å; A655-E659 WeakPolarHBondContact O-CB 3.43Å; A655-E659 PolarHBondContact O-N 2.99Å |
| 656 | D | 90.1 | Very high | 88.7 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -37 | 175.6 | -75.5 | -6.7 | 0 | 0 | 0 | 111.9 | T652 K660 | T652-D656 WeakPolarHBondContact O-CB 3.49Å; T652-D656 VanDerWaalsContact O-CG 3.26Å; T652-D656 PolarHBondContact O-N 2.82Å; D656-K660 VanDerWaalsContact O-CG 3.27Å; D656-K660 WeakPolarHBondContact O-CG 3.27Å; D656-K660 PolarHBondContact O-N 2.74Å; D656-K660 VanDerWaalsContact O-N 3.13Å |
| 657 | L | 88.3 | Confident | 88.3 | Confident | 108 Ų | 108 | 96.8 Ų | 96.8 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.2 | -42.4 | 174.8 | -75.4 | 171.7 | 0 | 0 | 0 | 111.8 | E653 A654 A655 K660 V661 | E653-L657 WeakPolarHBondContact O-CG 3.44Å; E653-L657 PolarHBondContact O-N 2.88Å; E653-L657 VanDerWaalsContact O-N 3.08Å; A654-L657 PolarHBondContact O-N 3.36Å; A655-L657 VanDerWaalsContact C-N 3.29Å; A655-L657 PolarHBondContact O-N 2.85Å; L657-K660 WeakPolarHBondContact O-CB 3.2Å; L657-K660 PolarHBondContact O-N 2.8Å; L657-V661 WeakPolarHBondContact O-CG2 3.37Å; L657-V661 PolarHBondContact O-N 3.34Å |
| 658 | Q | 89.3 | Confident | 88 | Confident | 103 Ų | 103 | 97.7 Ų | 97.7 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176 | -171.6 | 61.6 | 37.2 | 0 | 0 | 110.8 | A654 A655 K660 V661 D662 | A654-Q658 WeakPolarHBondContact O-CB 3.39Å; A654-Q658 PolarHBondContact O-N 2.79Å; A655-Q658 PolarHBondContact O-N 3.21Å; Q658-K660 VanDerWaalsContact C-N 3.28Å; Q658-K660 PolarHBondContact O-N 3.39Å; Q658-V661 PolarHBondContact O-N 3.31Å; Q658-V661 VanDerWaalsContact O-N 3.07Å; Q658-D662 PolarHBondContact NE2-OD1 2.9Å; Q658-D662 WeakPolarHBondContact O-CB 3.24Å; Q658-D662 VanDerWaalsContact O-CG 3.26Å; Q658-D662 PolarHBondContact O-N 3.27Å |
| 659 | E | 89.4 | Confident | 87.7 | Confident | 96 Ų | 96 | 97.6 Ų | 97.6 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -38 | 175.9 | -165.9 | -168.9 | 163.7 | 0 | 0 | 111.3 | A655 K663 | A655-E659 WeakPolarHBondContact O-CB 3.43Å; A655-E659 PolarHBondContact O-N 2.99Å; E659-K663 HydrophobicContact CG-CD 4.47Å; E659-K663 VanDerWaalsContact O-CB 3.31Å; E659-K663 WeakPolarHBondContact O-CB 3.4Å; E659-K663 VanDerWaalsContact O-CG 3.27Å; E659-K663 WeakPolarHBondContact O-CG 3.34Å; E659-K663 PolarHBondContact O-N 3.16Å; E659-K663 WeakPolarHBondContact OE1-CE 3.47Å; E659-K663 IonicContact OE1-NZ 2.64Å; E659-K663 PolarHBondContact OE1-NZ 2.78Å |
| 660 | K | 89 | Confident | 87.3 | Confident | 138 Ų | 138 | 96 Ų | 96 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.7 | -38.8 | 173.5 | -74.2 | 168 | -173.1 | 167.2 | 0 | 112.5 | D656 L657 Q658 A664 | D656-K660 VanDerWaalsContact O-CG 3.27Å; D656-K660 WeakPolarHBondContact O-CG 3.27Å; D656-K660 PolarHBondContact O-N 2.74Å; D656-K660 VanDerWaalsContact O-N 3.13Å; L657-K660 WeakPolarHBondContact O-CB 3.2Å; L657-K660 PolarHBondContact O-N 2.8Å; Q658-K660 VanDerWaalsContact C-N 3.28Å; Q658-K660 PolarHBondContact O-N 3.39Å; K660-A664 WeakPolarHBondContact O-CB 3.47Å; K660-A664 PolarHBondContact O-N 3.29Å |
| 661 | V | 86.7 | Confident | 86.7 | Confident | 73 Ų | 73 | 96 Ų | 96 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -45.8 | 176.4 | 171 | 0 | 0 | 0 | 0 | 110.7 | L657 Q658 K663 A664 L665 | L657-V661 WeakPolarHBondContact O-CG2 3.37Å; L657-V661 PolarHBondContact O-N 3.34Å; Q658-V661 PolarHBondContact O-N 3.31Å; Q658-V661 VanDerWaalsContact O-N 3.07Å; V661-K663 VanDerWaalsContact C-N 3.35Å; V661-K663 PolarHBondContact O-N 3.5Å; V661-A664 PolarHBondContact O-N 2.81Å; V661-A664 VanDerWaalsContact O-N 3.14Å; V661-L665 HydrophobicContact CG1-CD1 4.11Å; V661-L665 HydrophobicContact CG1-CG 4.44Å; V661-L665 WeakPolarHBondContact O-CG 3.4Å; V661-L665 PolarHBondContact O-N 3.39Å |
| 662 | D | 88.6 | Confident | 86.4 | Confident | 81 Ų | 81 | 94.2 Ų | 94.2 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 179 | -67.5 | -14.4 | 0 | 0 | 0 | 110.7 | Q658 A664 L665 K666 | Q658-D662 PolarHBondContact NE2-OD1 2.9Å; Q658-D662 WeakPolarHBondContact O-CB 3.24Å; Q658-D662 VanDerWaalsContact O-CG 3.26Å; Q658-D662 PolarHBondContact O-N 3.27Å; D662-A664 PolarHBondContact O-N 3.35Å; D662-L665 PolarHBondContact O-N 3.4Å; D662-K666 WeakPolarHBondContact O-CB 3.33Å; D662-K666 PolarHBondContact O-N 2.98Å |
| 663 | K | 87.4 | Confident | 85.9 | Confident | 110 Ų | 110 | 93.3 Ų | 93.3 | 48% | 0.478 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 170.6 | -79.4 | 173.9 | -175.8 | 164.2 | 0 | 111.5 | E659 V661 L665 K666 D667 | E659-K663 HydrophobicContact CG-CD 4.47Å; E659-K663 VanDerWaalsContact O-CB 3.31Å; E659-K663 WeakPolarHBondContact O-CB 3.4Å; E659-K663 VanDerWaalsContact O-CG 3.27Å; E659-K663 WeakPolarHBondContact O-CG 3.34Å; E659-K663 PolarHBondContact O-N 3.16Å; E659-K663 WeakPolarHBondContact OE1-CE 3.47Å; E659-K663 IonicContact OE1-NZ 2.64Å; E659-K663 PolarHBondContact OE1-NZ 2.78Å; V661-K663 VanDerWaalsContact C-N 3.35Å; V661-K663 PolarHBondContact O-N 3.5Å; K663-L665 PolarHBondContact O-N 2.98Å; K663-K666 PolarHBondContact O-N 3.37Å; K663-D667 WeakPolarHBondContact O-CB 3.49Å; K663-D667 PolarHBondContact O-N 3.4Å |
| 664 | A | 85.2 | Confident | 85.4 | Confident | 59 Ų | 59 | 94 Ų | 94 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K660 V661 D662 K668 | K660-A664 WeakPolarHBondContact O-CB 3.47Å; K660-A664 PolarHBondContact O-N 3.29Å; V661-A664 PolarHBondContact O-N 2.81Å; V661-A664 VanDerWaalsContact O-N 3.14Å; D662-A664 PolarHBondContact O-N 3.35Å; A664-K668 WeakPolarHBondContact O-CB 3.46Å; A664-K668 PolarHBondContact O-N 2.81Å |
| 665 | L | 85.9 | Confident | 84.9 | Confident | 89 Ų | 89 | 96.3 Ų | 96.3 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.5 | -42.2 | 174.5 | -75.3 | 175.3 | 0 | 0 | 0 | 111.2 | V661 D662 K663 K668 E669 | V661-L665 HydrophobicContact CG1-CD1 4.11Å; V661-L665 HydrophobicContact CG1-CG 4.44Å; V661-L665 WeakPolarHBondContact O-CG 3.4Å; V661-L665 PolarHBondContact O-N 3.39Å; D662-L665 PolarHBondContact O-N 3.4Å; K663-L665 PolarHBondContact O-N 2.98Å; L665-K668 WeakPolarHBondContact O-CB 3.4Å; L665-K668 PolarHBondContact O-N 3.44Å; L665-E669 WeakPolarHBondContact O-CG 3.39Å; L665-E669 PolarHBondContact O-N 2.76Å |
| 666 | K | 87.4 | Confident | 84.6 | Confident | 127 Ų | 127 | 98 Ų | 98 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -45.4 | 176.6 | -166.9 | 164.9 | -174.2 | 171.2 | 0 | 111.4 | D662 K663 K668 E669 D670 | D662-K666 WeakPolarHBondContact O-CB 3.33Å; D662-K666 PolarHBondContact O-N 2.98Å; K663-K666 PolarHBondContact O-N 3.37Å; K666-K668 PolarHBondContact O-N 3.13Å; K666-E669 CarbonylContact O-C 3.58Å; K666-E669 PolarHBondContact O-N 2.98Å; K666-E669 VanDerWaalsContact O-N 3.08Å; K666-D670 VanDerWaalsContact O-CB 3.25Å; K666-D670 WeakPolarHBondContact O-CB 3.12Å; K666-D670 PolarHBondContact O-N 3.14Å |
| 667 | D | 84.6 | Confident | 83.9 | Confident | 97 Ų | 97 | 99.6 Ų | 99.6 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 173.2 | -69.3 | -14.6 | 0 | 0 | 0 | 111.2 | K663 L671 | K663-D667 WeakPolarHBondContact O-CB 3.49Å; K663-D667 PolarHBondContact O-N 3.4Å; D667-L671 VanDerWaalsContact O-CB 3.23Å; D667-L671 WeakPolarHBondContact O-CB 3.29Å; D667-L671 WeakPolarHBondContact O-CD1 3.46Å; D667-L671 WeakPolarHBondContact O-CG 3.42Å; D667-L671 PolarHBondContact O-N 2.71Å |
| 668 | K | 82.4 | Confident | 83.3 | Confident | 126 Ų | 126 | 98.2 Ų | 98.2 | 55% | 0.548 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 174.4 | 177.8 | -165.2 | 166.6 | -169.4 | 0 | 112.1 | A664 L665 K666 L671 L672 | A664-K668 WeakPolarHBondContact O-CB 3.46Å; A664-K668 PolarHBondContact O-N 2.81Å; L665-K668 WeakPolarHBondContact O-CB 3.4Å; L665-K668 PolarHBondContact O-N 3.44Å; K666-K668 PolarHBondContact O-N 3.13Å; K668-L671 PolarHBondContact O-N 2.94Å; K668-L672 HydrophobicContact CG-CD1 4.26Å; K668-L672 WeakPolarHBondContact O-CB 3.49Å; K668-L672 VanDerWaalsContact O-CG 3.31Å; K668-L672 WeakPolarHBondContact O-CG 3.48Å; K668-L672 PolarHBondContact O-N 3.14Å |
| 669 | E | 83.4 | Confident | 82.4 | Confident | 124 Ų | 124 | 99.8 Ų | 99.8 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66 | -40.1 | 177.9 | -77.2 | -178.5 | 174.3 | 0 | 0 | 111.8 | L665 K666 L672 S673 | L665-E669 WeakPolarHBondContact O-CG 3.39Å; L665-E669 PolarHBondContact O-N 2.76Å; K666-E669 CarbonylContact O-C 3.58Å; K666-E669 PolarHBondContact O-N 2.98Å; K666-E669 VanDerWaalsContact O-N 3.08Å; E669-L672 PolarHBondContact O-N 2.92Å; E669-S673 VanDerWaalsContact O-CB 3.25Å; E669-S673 WeakPolarHBondContact O-CB 3.4Å; E669-S673 PolarHBondContact O-N 2.94Å; E669-S673 PolarHBondContact O-OG 2.77Å |
| 670 | D | 83.4 | Confident | 81.6 | Confident | 70 Ų | 70 | 103.4 Ų | 103.4 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 175.3 | -71.1 | -15.4 | 0 | 0 | 0 | 109.3 | K666 L672 S673 E674 | K666-D670 VanDerWaalsContact O-CB 3.25Å; K666-D670 WeakPolarHBondContact O-CB 3.12Å; K666-D670 PolarHBondContact O-N 3.14Å; D670-L672 VanDerWaalsContact C-N 3.35Å; D670-L672 PolarHBondContact O-N 3.22Å; D670-S673 CarbonylContact O-C 3.56Å; D670-S673 PolarHBondContact O-N 3.36Å; D670-E674 VanDerWaalsContact O-CB 3.27Å; D670-E674 WeakPolarHBondContact O-CB 3.25Å; D670-E674 VanDerWaalsContact O-CG 3.27Å; D670-E674 WeakPolarHBondContact O-CG 3.37Å; D670-E674 PolarHBondContact O-N 2.9Å |
| 671 | L | 78.8 | Confident | 80.9 | Confident | 111 Ų | 111 | 99.6 Ų | 99.6 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -36.4 | 174.3 | -76.1 | 169.2 | 0 | 0 | 0 | 113.2 | D667 K668 L675 | D667-L671 VanDerWaalsContact O-CB 3.23Å; D667-L671 WeakPolarHBondContact O-CB 3.29Å; D667-L671 WeakPolarHBondContact O-CD1 3.46Å; D667-L671 WeakPolarHBondContact O-CG 3.42Å; D667-L671 PolarHBondContact O-N 2.71Å; K668-L671 PolarHBondContact O-N 2.94Å; L671-L675 VanDerWaalsContact O-CB 3.29Å; L671-L675 WeakPolarHBondContact O-CB 3.33Å; L671-L675 PolarHBondContact O-N 2.79Å |
| 672 | L | 79.5 | Confident | 80.2 | Confident | 91 Ų | 91 | 100.7 Ų | 100.7 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 174.5 | -77.5 | 170.5 | 0 | 0 | 0 | 111.3 | K668 E669 D670 L675 V676 | K668-L672 HydrophobicContact CG-CD1 4.26Å; K668-L672 WeakPolarHBondContact O-CB 3.49Å; K668-L672 VanDerWaalsContact O-CG 3.31Å; K668-L672 WeakPolarHBondContact O-CG 3.48Å; K668-L672 PolarHBondContact O-N 3.14Å; E669-L672 PolarHBondContact O-N 2.92Å; D670-L672 VanDerWaalsContact C-N 3.35Å; D670-L672 PolarHBondContact O-N 3.22Å; L672-L675 PolarHBondContact O-N 3.34Å; L672-V676 VanDerWaalsContact O-CG2 3.29Å; L672-V676 WeakPolarHBondContact O-CG2 3.29Å; L672-V676 PolarHBondContact O-N 2.91Å |
| 673 | S | 79.4 | Confident | 79.6 | Confident | 60 Ų | 60 | 103.3 Ų | 103.3 | 42% | 0.42 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -44.9 | 176.3 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | E669 D670 L675 V676 E677 | E669-S673 VanDerWaalsContact O-CB 3.25Å; E669-S673 WeakPolarHBondContact O-CB 3.4Å; E669-S673 PolarHBondContact O-N 2.94Å; E669-S673 PolarHBondContact O-OG 2.77Å; D670-S673 CarbonylContact O-C 3.56Å; D670-S673 PolarHBondContact O-N 3.36Å; S673-L675 VanDerWaalsContact C-N 3.3Å; S673-L675 PolarHBondContact O-N 2.87Å; S673-V676 CarbonylContact O-C 3.58Å; S673-V676 PolarHBondContact O-N 3.39Å; S673-E677 WeakPolarHBondContact O-CB 3.44Å; S673-E677 VanDerWaalsContact O-CG 3.24Å; S673-E677 WeakPolarHBondContact O-CG 3.44Å; S673-E677 PolarHBondContact O-N 2.82Å |
| 674 | E | 78.8 | Confident | 78.8 | Confident | 112 Ų | 112 | 102.7 Ų | 102.7 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.2 | -39.4 | 171.7 | -76.9 | -178.3 | -178.2 | 0 | 0 | 111 | D670 E677 V678 | D670-E674 VanDerWaalsContact O-CB 3.27Å; D670-E674 WeakPolarHBondContact O-CB 3.25Å; D670-E674 VanDerWaalsContact O-CG 3.27Å; D670-E674 WeakPolarHBondContact O-CG 3.37Å; D670-E674 PolarHBondContact O-N 2.9Å; E674-E677 PolarHBondContact O-N 3.32Å; E674-V678 WeakPolarHBondContact O-CB 3.33Å; E674-V678 WeakPolarHBondContact O-CG2 3.46Å; E674-V678 PolarHBondContact O-N 3.13Å |
| 675 | L | 77.9 | Confident | 77.7 | Confident | 104 Ų | 104 | 107.8 Ų | 107.8 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 174.8 | -175.2 | 69.2 | 0 | 0 | 0 | 111.5 | L671 L672 S673 E677 V678 E679 | L671-L675 VanDerWaalsContact O-CB 3.29Å; L671-L675 WeakPolarHBondContact O-CB 3.33Å; L671-L675 PolarHBondContact O-N 2.79Å; L672-L675 PolarHBondContact O-N 3.34Å; S673-L675 VanDerWaalsContact C-N 3.3Å; S673-L675 PolarHBondContact O-N 2.87Å; L675-E677 VanDerWaalsContact C-N 3.32Å; L675-E677 PolarHBondContact O-N 3.24Å; L675-V678 PolarHBondContact O-N 3.39Å; L675-E679 PolarHBondContact O-N 3.39Å |
| 676 | V | 80.2 | Confident | 76.7 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.7 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L672 S673 E679 R680 | L672-V676 VanDerWaalsContact O-CG2 3.29Å; L672-V676 WeakPolarHBondContact O-CG2 3.29Å; L672-V676 PolarHBondContact O-N 2.91Å; S673-V676 CarbonylContact O-C 3.58Å; S673-V676 PolarHBondContact O-N 3.39Å; V676-E679 PolarHBondContact O-N 3.17Å; V676-R680 WeakPolarHBondContact O-CB 3.49Å; V676-R680 PolarHBondContact O-N 2.95Å |
| 677 | E | 76.8 | Confident | 75.7 | Confident | 122 Ų | 122 | 109.6 Ų | 109.6 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.5 | -35.7 | 178.1 | -75.5 | -171.7 | 172.4 | 0 | 0 | 111.8 | S673 E674 L675 R680 T681 | S673-E677 WeakPolarHBondContact O-CB 3.44Å; S673-E677 VanDerWaalsContact O-CG 3.24Å; S673-E677 WeakPolarHBondContact O-CG 3.44Å; S673-E677 PolarHBondContact O-N 2.82Å; E674-E677 PolarHBondContact O-N 3.32Å; L675-E677 VanDerWaalsContact C-N 3.32Å; L675-E677 PolarHBondContact O-N 3.24Å; E677-R680 PolarHBondContact O-N 3.5Å; E677-T681 WeakPolarHBondContact O-CA 3.26Å; E677-T681 WeakPolarHBondContact O-CB 3.41Å; E677-T681 WeakPolarHBondContact O-CG2 3.27Å; E677-T681 PolarHBondContact O-N 2.97Å; E677-T681 PolarHBondContact O-OG1 2.78Å |
| 678 | V | 74.2 | Confident | 74.5 | Confident | 80 Ų | 80 | 110.8 Ų | 110.8 | 49% | 0.485 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 171 | 168.4 | 0 | 0 | 0 | 0 | 109.8 | E674 L675 T681 I682 | E674-V678 WeakPolarHBondContact O-CB 3.33Å; E674-V678 WeakPolarHBondContact O-CG2 3.46Å; E674-V678 PolarHBondContact O-N 3.13Å; L675-V678 PolarHBondContact O-N 3.39Å; V678-T681 VanDerWaalsContact CA-OG1 3.28Å; V678-T681 WeakPolarHBondContact CA-OG1 3.25Å; V678-T681 PolarHBondContact O-N 3.41Å; V678-T681 PolarHBondContact O-OG1 3.15Å; V678-I682 HydrophobicContact CG1-CD1 3.93Å; V678-I682 WeakPolarHBondContact O-CB 3.36Å; V678-I682 WeakPolarHBondContact O-CD1 3.28Å; V678-I682 WeakPolarHBondContact O-CG1 3.44Å; V678-I682 PolarHBondContact O-N 2.97Å |
| 679 | E | 71.4 | Confident | 73.4 | Confident | 135 Ų | 135 | 108.7 Ų | 108.7 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 173.6 | -74.9 | -157 | 165.5 | 0 | 0 | 112.4 | L675 V676 T681 I682 M683 | L675-E679 PolarHBondContact O-N 3.39Å; V676-E679 PolarHBondContact O-N 3.17Å; E679-T681 VanDerWaalsContact C-N 3.33Å; E679-T681 PolarHBondContact O-N 3.47Å; E679-I682 PolarHBondContact O-N 3.21Å; E679-M683 PolarHBondContact O-N 2.89Å |
| 680 | R | 73.4 | Confident | 72.3 | Confident | 173 Ų | 173 | 108.6 Ų | 108.6 | 65% | 0.653 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.4 | -38.1 | 179.5 | -151.1 | 178.7 | -162.5 | 179.9 | 4.7 | 110.8 | V676 E677 M683 L684 | V676-R680 WeakPolarHBondContact O-CB 3.49Å; V676-R680 PolarHBondContact O-N 2.95Å; E677-R680 PolarHBondContact O-N 3.5Å; R680-M683 PolarHBondContact O-N 3.45Å; R680-L684 HydrophobicContact CG-CD1 4.16Å; R680-L684 WeakPolarHBondContact O-CB 3.49Å; R680-L684 WeakPolarHBondContact O-CD1 3.36Å; R680-L684 WeakPolarHBondContact O-CG 3.36Å; R680-L684 PolarHBondContact O-N 2.69Å |
| 681 | T | 74.3 | Confident | 70.9 | Confident | 58 Ų | 58 | 109.1 Ų | 109.1 | 36% | 0.356 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.1 | -37 | 176.1 | 54.1 | 0 | 0 | 0 | 0 | 111.1 | E677 V678 E679 M683 L684 W685 | E677-T681 WeakPolarHBondContact O-CA 3.26Å; E677-T681 WeakPolarHBondContact O-CB 3.41Å; E677-T681 WeakPolarHBondContact O-CG2 3.27Å; E677-T681 PolarHBondContact O-N 2.97Å; E677-T681 PolarHBondContact O-OG1 2.78Å; V678-T681 VanDerWaalsContact CA-OG1 3.28Å; V678-T681 WeakPolarHBondContact CA-OG1 3.25Å; V678-T681 PolarHBondContact O-N 3.41Å; V678-T681 PolarHBondContact O-OG1 3.15Å; E679-T681 VanDerWaalsContact C-N 3.33Å; E679-T681 PolarHBondContact O-N 3.47Å; T681-M683 VanDerWaalsContact C-N 3.33Å; T681-M683 PolarHBondContact O-N 3.45Å; T681-L684 PolarHBondContact O-N 2.97Å; T681-W685 WeakPolarHBondContact O-CB 3.42Å; T681-W685 PolarHBondContact O-N 3.22Å |
| 682 | I | 71.1 | Confident | 69.5 | Low | 95 Ų | 95 | 106.9 Ų | 106.9 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.4 | -50.7 | 169.8 | -71.3 | 162.6 | 0 | 0 | 0 | 109.5 | V678 E679 L684 W685 E686 | V678-I682 HydrophobicContact CG1-CD1 3.93Å; V678-I682 WeakPolarHBondContact O-CB 3.36Å; V678-I682 WeakPolarHBondContact O-CD1 3.28Å; V678-I682 WeakPolarHBondContact O-CG1 3.44Å; V678-I682 PolarHBondContact O-N 2.97Å; E679-I682 PolarHBondContact O-N 3.21Å; I682-L684 PolarHBondContact O-N 2.79Å; I682-W685 PolarHBondContact O-N 2.86Å; I682-E686 WeakPolarHBondContact O-CG 3.49Å; I682-E686 PolarHBondContact O-N 3Å |
| 683 | M | 75.2 | Confident | 68.4 | Low | 136 Ų | 136 | 108.8 Ų | 108.8 | 67% | 0.67 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -40.2 | 179.9 | -158.2 | -156.3 | -159.7 | 0 | 0 | 112.7 | E679 R680 T681 K687 | E679-M683 PolarHBondContact O-N 2.89Å; R680-M683 PolarHBondContact O-N 3.45Å; T681-M683 VanDerWaalsContact C-N 3.33Å; T681-M683 PolarHBondContact O-N 3.45Å; M683-K687 WeakPolarHBondContact O-CB 3.24Å; M683-K687 PolarHBondContact O-N 3.45Å |
| 684 | L | 72.1 | Confident | 66.8 | Low | 98 Ų | 98 | 111.9 Ų | 111.9 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72.6 | -35.1 | 178.1 | -73.5 | 168.8 | 0 | 0 | 0 | 111.5 | R680 T681 I682 K687 K688 | R680-L684 HydrophobicContact CG-CD1 4.16Å; R680-L684 WeakPolarHBondContact O-CB 3.49Å; R680-L684 WeakPolarHBondContact O-CD1 3.36Å; R680-L684 WeakPolarHBondContact O-CG 3.36Å; R680-L684 PolarHBondContact O-N 2.69Å; T681-L684 PolarHBondContact O-N 2.97Å; I682-L684 PolarHBondContact O-N 2.79Å; L684-K687 CarbonylContact O-C 3.59Å; L684-K687 PolarHBondContact O-N 3.48Å; L684-K688 WeakPolarHBondContact O-CA 3.33Å; L684-K688 WeakPolarHBondContact O-CB 3.37Å; L684-K688 PolarHBondContact O-N 3.34Å |
| 685 | W | 62.4 | Low | 65.6 | Low | 165 Ų | 165 | 110.6 Ų | 110.6 | 63% | 0.625 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.8 | -37.2 | 174.3 | -81.6 | 111.2 | 0 | 0 | 0 | 110.8 | T681 I682 K687 K688 V689 | T681-W685 WeakPolarHBondContact O-CB 3.42Å; T681-W685 PolarHBondContact O-N 3.22Å; I682-W685 PolarHBondContact O-N 2.86Å; W685-K687 VanDerWaalsContact C-N 3.33Å; W685-K687 PolarHBondContact O-N 3.34Å; W685-K688 PolarHBondContact O-N 2.9Å; W685-V689 VanDerWaalsContact O-CB 3.31Å; W685-V689 WeakPolarHBondContact O-CB 3.26Å; W685-V689 WeakPolarHBondContact O-CG2 3.36Å; W685-V689 PolarHBondContact O-N 3.33Å |
| 686 | E | 63.6 | Low | 64 | Low | 129 Ų | 129 | 114.9 Ų | 114.9 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59 | -44.1 | 169.6 | -74.2 | 175.8 | 163.8 | 0 | 0 | 111.6 | I682 Q690 | I682-E686 WeakPolarHBondContact O-CG 3.49Å; I682-E686 PolarHBondContact O-N 3Å; E686-Q690 PolarHBondContact O-N 2.93Å |
| 687 | K | 66.8 | Low | 62.5 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 55% | 0.548 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -76 | -30.6 | 179.3 | -162.9 | 166.1 | -174.9 | 174 | 0 | 113.7 | M683 L684 W685 Q690 L691 | M683-K687 WeakPolarHBondContact O-CB 3.24Å; M683-K687 PolarHBondContact O-N 3.45Å; L684-K687 CarbonylContact O-C 3.59Å; L684-K687 PolarHBondContact O-N 3.48Å; W685-K687 VanDerWaalsContact C-N 3.33Å; W685-K687 PolarHBondContact O-N 3.34Å; K687-Q690 WeakPolarHBondContact O-CB 3.43Å; K687-Q690 PolarHBondContact O-N 3.16Å; K687-L691 HydrophobicContact CG-CD1 4.24Å; K687-L691 WeakPolarHBondContact O-CB 3.38Å; K687-L691 WeakPolarHBondContact O-CG 3.4Å; K687-L691 PolarHBondContact O-N 3.42Å |
| 688 | K | 59.2 | Low | 60.9 | Low | 121 Ų | 121 | 117.5 Ų | 117.5 | 53% | 0.526 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -81.9 | -27.5 | 178.7 | -160.9 | 173.5 | -172.1 | -179.5 | 0 | 111 | L684 W685 L691 C692 | L684-K688 WeakPolarHBondContact O-CA 3.33Å; L684-K688 WeakPolarHBondContact O-CB 3.37Å; L684-K688 PolarHBondContact O-N 3.34Å; W685-K688 PolarHBondContact O-N 2.9Å; K688-L691 PolarHBondContact O-N 3.27Å; K688-C692 WeakPolarHBondContact O-CA 3.28Å; K688-C692 WeakPolarHBondContact O-CB 3.22Å; K688-C692 PolarHBondContact O-N 2.85Å; K688-C692 PolarHBondContact O-SG 2.84Å |
| 689 | V | 58.5 | Low | 59.1 | Low | 82 Ų | 82 | 119.5 Ų | 119.5 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.9 | -44.3 | 164.7 | 168.6 | 0 | 0 | 0 | 0 | 109.8 | W685 E693 | W685-V689 VanDerWaalsContact O-CB 3.31Å; W685-V689 WeakPolarHBondContact O-CB 3.26Å; W685-V689 WeakPolarHBondContact O-CG2 3.36Å; W685-V689 PolarHBondContact O-N 3.33Å; V689-E693 WeakPolarHBondContact O-CG 3.43Å; V689-E693 PolarHBondContact O-N 3.43Å |
| 690 | Q | 62 | Low | 57.2 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60 | -50.9 | 172.1 | -81.3 | 179.6 | -17.5 | 0 | 0 | 112.6 | E686 K687 C692 E693 E694 | E686-Q690 PolarHBondContact O-N 2.93Å; K687-Q690 WeakPolarHBondContact O-CB 3.43Å; K687-Q690 PolarHBondContact O-N 3.16Å; Q690-C692 PolarHBondContact O-N 3Å; Q690-E693 PolarHBondContact O-N 2.93Å; Q690-E694 WeakPolarHBondContact O-CG 3.38Å; Q690-E694 PolarHBondContact O-N 3.36Å; Q690-E694 VanDerWaalsContact O-N 3.13Å |
| 691 | L | 54.4 | Low | 55.4 | Low | 82 Ų | 82 | 118.2 Ų | 118.2 | 43% | 0.429 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.6 | -28 | -177.1 | -73.7 | 165.4 | 0 | 0 | 0 | 113.1 | K687 K688 E694 T695 | K687-L691 HydrophobicContact CG-CD1 4.24Å; K687-L691 WeakPolarHBondContact O-CB 3.38Å; K687-L691 WeakPolarHBondContact O-CG 3.4Å; K687-L691 PolarHBondContact O-N 3.42Å; K688-L691 PolarHBondContact O-N 3.27Å; L691-E694 PolarHBondContact O-N 3.3Å; L691-T695 VanDerWaalsContact O-CB 3.32Å; L691-T695 WeakPolarHBondContact O-CB 3.5Å; L691-T695 WeakPolarHBondContact O-CG2 3.28Å; L691-T695 PolarHBondContact O-N 3.48Å; L691-T695 PolarHBondContact O-OG1 3.31Å |
| 692 | C | 49.4 | Very low | 53.5 | Low | 63 Ų | 63 | 122.9 Ų | 122.9 | 43% | 0.426 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -77.2 | -28 | 173.1 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | K688 Q690 E694 T695 K696 | K688-C692 WeakPolarHBondContact O-CA 3.28Å; K688-C692 WeakPolarHBondContact O-CB 3.22Å; K688-C692 PolarHBondContact O-N 2.85Å; K688-C692 PolarHBondContact O-SG 2.84Å; Q690-C692 PolarHBondContact O-N 3Å; C692-E694 VanDerWaalsContact C-N 3.26Å; C692-T695 WeakPolarHBondContact CA-OG1 3.2Å; C692-K696 WeakPolarHBondContact O-CB 3.43Å; C692-K696 PolarHBondContact O-N 3.22Å |
| 693 | E | 54.7 | Low | 52.1 | Low | 131 Ų | 131 | 126.7 Ų | 126.7 | 61% | 0.612 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.2 | -32.1 | 165 | -79.3 | -175.7 | 158.9 | 0 | 0 | 112 | V689 Q690 | V689-E693 WeakPolarHBondContact O-CG 3.43Å; V689-E693 PolarHBondContact O-N 3.43Å; Q690-E693 PolarHBondContact O-N 2.93Å |
| 694 | E | 47.5 | Very low | 50.4 | Low | 125 Ų | 125 | 123.6 Ų | 123.6 | 58% | 0.584 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -83 | -40.1 | 179.1 | -70.4 | 175.4 | 173.7 | 0 | 0 | 113.4 | Q690 L691 C692 | Q690-E694 WeakPolarHBondContact O-CG 3.38Å; Q690-E694 PolarHBondContact O-N 3.36Å; Q690-E694 VanDerWaalsContact O-N 3.13Å; L691-E694 PolarHBondContact O-N 3.3Å; C692-E694 VanDerWaalsContact C-N 3.26Å |
| 695 | T | 52.6 | Low | 49 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 52% | 0.521 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -86.1 | -28.7 | -176.7 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | L691 C692 K697 S698 | L691-T695 VanDerWaalsContact O-CB 3.32Å; L691-T695 WeakPolarHBondContact O-CB 3.5Å; L691-T695 WeakPolarHBondContact O-CG2 3.28Å; L691-T695 PolarHBondContact O-N 3.48Å; L691-T695 PolarHBondContact O-OG1 3.31Å; C692-T695 WeakPolarHBondContact CA-OG1 3.2Å; T695-K697 PolarHBondContact O-N 3.34Å; T695-S698 CarbonylContact O-C 3.49Å; T695-S698 PolarHBondContact O-N 2.78Å |
| 696 | K | 43.8 | Very low | 48.4 | Very low | 194 Ų | 194 | 123 Ų | 123 | 84% | 0.843 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -19.1 | 169.4 | -165.9 | 176.9 | 178 | 179.3 | 0 | 112.4 | C692 | C692-K696 WeakPolarHBondContact O-CB 3.43Å; C692-K696 PolarHBondContact O-N 3.22Å |
| 697 | K | 49.8 | Very low | 47.7 | Very low | 187 Ų | 187 | 125.2 Ų | 125.2 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -8.6 | 171 | -75.5 | 179.9 | -179.4 | 169.5 | 0 | 113.9 | T695 | T695-K697 PolarHBondContact O-N 3.34Š|
| 698 | S | 43.4 | Very low | 46.4 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 57% | 0.566 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -140.2 | 82.5 | -169.2 | 178.4 | 0 | 0 | 0 | 0 | 112 | T695 | T695-S698 CarbonylContact O-C 3.49Å; T695-S698 PolarHBondContact O-N 2.78Å |
| 699 | V | 36.4 | Very low | 46.1 | Very low | 121 Ų | 121 | 125 Ų | 125 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | trans | 105.4 | 81.4 | 158 | -169.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 700 | D | 31.5 | Very low | 45.9 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 88% | 0.877 | 69% | 0.694 | S | S | * | * | -77 | 121.2 | 128.6 | -78.4 | -37.7 | 0 | 0 | 0 | 107.8 | |||||
| 701 | C | 34.5 | Very low | 45.1 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | 176.1 | 109.5 | 144.7 | -90.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 702 | D | 35.4 | Very low | 44.7 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | trans | -58.7 | 147.1 | 166.1 | -61 | -54.6 | 0 | 0 | 0 | 112.8 | ||||
| 703 | I | 40 | Very low | 44.9 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 90% | 0.897 | 73% | 0.729 | S | S | * | * | trans | -161.3 | 116.9 | 144.3 | -85.2 | 128.2 | 0 | 0 | 0 | 109.9 | ||||
| 704 | G | 40 | Very low | 45.3 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | trans | -135.6 | 124.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 705 | Q | 42.6 | Very low | 45.3 | Very low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -168.8 | 31.8 | 166.9 | -114.4 | -178.9 | 27.8 | 0 | 0 | 114.4 | ||||
| 706 | G | 50.5 | Low | 45.1 | Very low | 67 Ų | 67 | 141.2 Ų | 141.2 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | -85 | -17 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | M708 | G706-M708 PolarHBondContact O-N 2.75Š| ||
| 707 | E | 47.9 | Very low | 46 | Very low | 175 Ų | 175 | 141.8 Ų | 141.8 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -6 | -167.4 | -64.9 | -176.1 | 162.1 | 0 | 0 | 114.7 | ||
| 708 | M | 40.2 | Very low | 46.6 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 62% | 0.621 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -7.6 | -178.2 | -86.9 | 178.9 | 65.3 | 0 | 0 | 116 | G706 | G706-M708 PolarHBondContact O-N 2.75Š|
| 709 | N | 52.2 | Low | 46.9 | Very low | 116 Ų | 116 | 143 Ų | 143 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -96.8 | -13.7 | -178.1 | -79.2 | -18.8 | 0 | 0 | 0 | 115.2 | ||
| 710 | V | 54.2 | Low | 47.8 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -75.8 | -31.7 | 179.1 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | R712 | V710-R712 VanDerWaalsContact C-N 3.27Å; V710-R712 PolarHBondContact O-N 2.77Å |
| 711 | M | 45.9 | Very low | 49.4 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 70% | 0.7 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -69.6 | -12.1 | -176.6 | -80.8 | -174.9 | -87.1 | 0 | 0 | 115.6 | ||
| 712 | R | 46.2 | Very low | 50.4 | Low | 184 Ų | 184 | 146.9 Ų | 146.9 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -86.7 | -11.8 | -176 | -86.2 | -169.8 | -93.9 | -131.4 | -0.6 | 116.3 | V710 | V710-R712 VanDerWaalsContact C-N 3.27Å; V710-R712 PolarHBondContact O-N 2.77Å |
| 713 | H | 53.2 | Low | 51.2 | Low | 162 Ų | 162 | 144.3 Ų | 144.3 | 75% | 0.75 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -92.9 | -17.9 | -174.8 | -76.9 | 80.8 | 0 | 0 | 0 | 115.5 | ||
| 714 | E | 63.8 | Low | 52.3 | Low | 132 Ų | 132 | 140.5 Ų | 140.5 | 62% | 0.617 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -77.9 | -24.8 | -172.8 | -168.5 | 58.2 | -158.4 | 0 | 0 | 113.8 | H716 | E714-H716 VanDerWaalsContact C-N 3.32Å; E714-H716 PolarHBondContact O-N 3.32Å |
| 715 | I | 47.8 | Very low | 53.4 | Low | 138 Ų | 138 | 142.7 Ų | 142.7 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -71.7 | -22.6 | -173 | -65.6 | 176.8 | 0 | 0 | 0 | 112.7 | R717 | I715-R717 PolarHBondContact O-N 3.45Š|
| 716 | H | 48.5 | Very low | 53.9 | Low | 151 Ų | 151 | 140.9 Ų | 140.9 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -81.2 | -12.2 | -174.4 | -162.3 | 41.9 | 0 | 0 | 0 | 115 | E714 | E714-H716 VanDerWaalsContact C-N 3.32Å; E714-H716 PolarHBondContact O-N 3.32Å |
| 717 | R | 62.2 | Low | 54.2 | Low | 206 Ų | 206 | 145.8 Ų | 145.8 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -82.8 | -22.1 | -170 | -149.9 | 177.1 | -176.4 | -170.5 | 1.1 | 114.7 | I715 | I715-R717 PolarHBondContact O-N 3.45Š|
| 718 | M | 61.5 | Low | 55.1 | Low | 142 Ų | 142 | 143.1 Ų | 143.1 | 70% | 0.7 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -88 | -17.8 | -169.5 | -72.9 | -71 | -87.5 | 0 | 0 | 114.6 | V720 | M718-V720 VanDerWaalsContact C-N 3.35Å; M718-V720 PolarHBondContact O-N 2.84Å |
| 719 | E | 50.7 | Low | 55.9 | Low | 152 Ų | 152 | 143.8 Ų | 143.8 | 71% | 0.71 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -75.3 | -18.6 | -174.2 | -67 | -179.1 | 147.8 | 0 | 0 | 114 | ||
| 720 | V | 55.9 | Low | 56.6 | Low | 117 Ų | 117 | 145.7 Ų | 145.7 | 71% | 0.709 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -83.5 | -17.5 | -174.6 | 178.4 | 0 | 0 | 0 | 0 | 114 | M718 K722 | M718-V720 VanDerWaalsContact C-N 3.35Å; M718-V720 PolarHBondContact O-N 2.84Å; V720-K722 PolarHBondContact O-N 3.49Å |
| 721 | R | 64.7 | Low | 57.3 | Low | 182 Ų | 182 | 149.4 Ų | 149.4 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -74.8 | -19 | -172.5 | -145.8 | 174.7 | -154.1 | 140 | 0.7 | 115 | ||
| 722 | K | 55.8 | Low | 58.3 | Low | 185 Ų | 185 | 148.6 Ų | 148.6 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -76.3 | -26 | -169.3 | -173.7 | 176.7 | 175 | -179.7 | 0 | 114.8 | V720 | V720-K722 PolarHBondContact O-N 3.49Š|
| 723 | S | 52.5 | Low | 59.2 | Low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -80.5 | -16.1 | -172 | 63.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 724 | S | 63.2 | Low | 59.9 | Low | 95 Ų | 95 | 142.6 Ų | 142.6 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -80.6 | -19.6 | -173.1 | -179.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 725 | L | 62 | Low | 60.2 | Low | 118 Ų | 118 | 139.3 Ų | 139.3 | 62% | 0.618 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -81.1 | -21.6 | -168.3 | -87.5 | 153.2 | 0 | 0 | 0 | 114.8 | Q727 | L725-Q727 PolarHBondContact O-N 3.26Š|
| 726 | L | 54.2 | Low | 61.2 | Low | 145 Ų | 145 | 138.4 Ų | 138.4 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -76 | -18.1 | -172 | -77.6 | 166.4 | 0 | 0 | 0 | 115.4 | ||
| 727 | Q | 56.4 | Low | 61.9 | Low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -84.2 | -8.5 | -177 | -81.5 | -176.7 | -5.3 | 0 | 0 | 115.1 | L725 | L725-Q727 PolarHBondContact O-N 3.26Š|
| 728 | Q | 66.3 | Low | 62.2 | Low | 119 Ų | 119 | 135 Ų | 135 | 56% | 0.556 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -82.6 | -19.6 | -175.4 | -81.1 | -180 | -15 | 0 | 0 | 114.8 | ||
| 729 | Q | 57.5 | Low | 62.6 | Low | 141 Ų | 141 | 131.2 Ų | 131.2 | 66% | 0.659 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -73.2 | -34.1 | -168.2 | -126.6 | 172.1 | -5.7 | 0 | 0 | 114.7 | R731 | Q729-R731 VanDerWaalsContact C-N 3.34Å; Q729-R731 PolarHBondContact O-N 3.48Å |
| 730 | E | 65.9 | Low | 63.4 | Low | 156 Ų | 156 | 125.4 Ų | 125.4 | 73% | 0.729 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -70.8 | -24.2 | -173 | -154 | 68.2 | -159.1 | 0 | 0 | 113.9 | L732 | E730-L732 VanDerWaalsContact C-N 3.34Å; E730-L732 PolarHBondContact O-N 2.84Å |
| 731 | R | 68.4 | Low | 63.9 | Low | 199 Ų | 199 | 123.6 Ų | 123.6 | 75% | 0.751 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -74.2 | -19.9 | -176.3 | -76.7 | -173.1 | 178.3 | 110.8 | -2.8 | 114.1 | Q729 | Q729-R731 VanDerWaalsContact C-N 3.34Å; Q729-R731 PolarHBondContact O-N 3.48Å |
| 732 | L | 67.6 | Low | 64.1 | Low | 124 Ų | 124 | 121.5 Ų | 121.5 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -28.7 | -171.4 | -75.7 | 162.7 | 0 | 0 | 0 | 113.7 | E730 A735 | E730-L732 VanDerWaalsContact C-N 3.34Å; E730-L732 PolarHBondContact O-N 2.84Å; L732-A735 WeakPolarHBondContact O-CB 3.13Å; L732-A735 PolarHBondContact O-N 2.84Å |
| 733 | I | 64.4 | Low | 64.6 | Low | 79 Ų | 79 | 121.3 Ų | 121.3 | 41% | 0.405 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.6 | -36.7 | -172.8 | -64.1 | 175.5 | 0 | 0 | 0 | 112.3 | L62 A735 L736 | L62-I733 HydrophobicContact CD1-CG2 4.33Å; I733-A735 PolarHBondContact O-N 2.8Å; I733-L736 PolarHBondContact O-N 3.46Å |
| 734 | Q | 69.3 | Low | 65.1 | Low | 141 Ų | 141 | 118.7 Ų | 118.7 | 66% | 0.659 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.8 | -15.5 | 178.8 | -70.2 | -178.2 | 8.1 | 0 | 0 | 113.9 | ||
| 735 | A | 69.4 | Low | 65.4 | Low | 64 Ų | 64 | 118 Ų | 118 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -77.7 | -27.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L732 I733 | L732-A735 WeakPolarHBondContact O-CB 3.13Å; L732-A735 PolarHBondContact O-N 2.84Å; I733-A735 PolarHBondContact O-N 2.8Å |
| 736 | L | 69.6 | Low | 65.4 | Low | 119 Ų | 119 | 117.4 Ų | 117.4 | 62% | 0.623 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.4 | -41.3 | -172.7 | -80.6 | 163.7 | 0 | 0 | 0 | 113.4 | I733 R738 S739 | I733-L736 PolarHBondContact O-N 3.46Å; L736-R738 VanDerWaalsContact C-N 3.26Å; L736-R738 PolarHBondContact O-N 3.37Å; L736-S739 WeakPolarHBondContact O-CB 3.31Å; L736-S739 PolarHBondContact O-N 2.79Å; L736-S739 VanDerWaalsContact O-N 3.08Å; L736-S739 PolarHBondContact O-OG 3.32Å |
| 737 | E | 62.4 | Low | 66 | Low | 115 Ų | 115 | 112 Ų | 112 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -32.6 | -178.1 | -67.9 | -171.7 | 144.2 | 0 | 0 | 113 | S739 | E737-S739 PolarHBondContact O-N 2.98Å |
| 738 | R | 68.8 | Low | 66.2 | Low | 171 Ų | 171 | 108.3 Ų | 108.3 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -74 | -14.4 | 179.1 | -61.5 | -176.1 | -166.8 | 172.1 | 5.4 | 113.4 | L736 S741 K742 | L736-R738 VanDerWaalsContact C-N 3.26Å; L736-R738 PolarHBondContact O-N 3.37Å; R738-S741 PolarHBondContact O-OG 3.37Å; R738-K742 WeakPolarHBondContact O-CG 3.32Å |
| 739 | S | 69.3 | Low | 65.6 | Low | 61 Ų | 61 | 108.6 Ų | 108.6 | 43% | 0.427 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -77.1 | -28.7 | -178.3 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | L736 E737 R743 | L736-S739 WeakPolarHBondContact O-CB 3.31Å; L736-S739 PolarHBondContact O-N 2.79Å; L736-S739 VanDerWaalsContact O-N 3.08Å; L736-S739 PolarHBondContact O-OG 3.32Å; E737-S739 PolarHBondContact O-N 2.98Å; S739-R743 PolarHBondContact O-N 3.03Å; S739-R743 VanDerWaalsContact O-N 3.07Å |
| 740 | V | 67.6 | Low | 65.6 | Low | 31 Ų | 31 | 104.2 Ų | 104.2 | 19% | 0.188 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -78.4 | -46.5 | -172.8 | -177.7 | 0 | 0 | 0 | 0 | 111 | F66 K742 R743 D744 | F66-V740 HydrophobicContact CD2-CB 3.88Å; F66-V740 HydrophobicContact CD2-CG1 3.48Å; F66-V740 VanDerWaalsContact CD2-CG1 3.48Å; F66-V740 HydrophobicContact CD2-CG2 3.18Å; F66-V740 HydrophobicContact CE2-CB 4.03Å; F66-V740 HydrophobicContact CE2-CG1 3.62Å; F66-V740 HydrophobicContact CE2-CG2 3.28Å; F66-V740 HydrophobicContact CG-CG2 4.29Å; F66-V740 HydrophobicContact CZ-CG2 4.46Å; V740-K742 PolarHBondContact O-N 2.86Å; V740-R743 WeakPolarHBondContact O-CB 3.49Å; V740-R743 PolarHBondContact O-N 2.9Å; V740-D744 PolarHBondContact O-N 3.2Å; V740-D744 VanDerWaalsContact O-N 3.17Å |
| 741 | S | 66.4 | Low | 65.1 | Low | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.5 | -32 | 175.2 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | R738 T745 | R738-S741 PolarHBondContact O-OG 3.37Å; S741-T745 PolarHBondContact O-N 3.1Å; S741-T745 PolarHBondContact O-OG1 3.36Å |
| 742 | K | 69.4 | Low | 64.2 | Low | 138 Ų | 138 | 95 Ų | 95 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65 | -41.7 | 168.6 | -80.4 | -178 | 177.3 | -177.6 | 0 | 112.3 | R738 V740 D744 T745 I746 | R738-K742 WeakPolarHBondContact O-CG 3.32Å; V740-K742 PolarHBondContact O-N 2.86Å; K742-D744 VanDerWaalsContact C-N 3.34Å; K742-D744 PolarHBondContact O-N 2.91Å; K742-T745 WeakPolarHBondContact CA-OG1 3.48Å; K742-T745 PolarHBondContact O-N 2.86Å; K742-T745 PolarHBondContact O-OG1 3.23Å; K742-T745 VanDerWaalsContact O-OG1 3.11Å; K742-I746 HydrophobicContact CB-CD1 4.44Å; K742-I746 VanDerWaalsContact O-CB 3.29Å; K742-I746 WeakPolarHBondContact O-CB 3.45Å; K742-I746 VanDerWaalsContact O-CD1 3.29Å; K742-I746 WeakPolarHBondContact O-CD1 3.41Å; K742-I746 WeakPolarHBondContact O-CG1 3.36Å; K742-I746 PolarHBondContact O-N 3.2Å |
| 743 | R | 66.7 | Low | 63.4 | Low | 180 Ų | 180 | 93.3 Ų | 93.3 | 68% | 0.679 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 179.9 | -166.6 | 177.4 | -175.1 | 123.8 | -0.9 | 112 | S739 V740 I746 V747 | S739-R743 PolarHBondContact O-N 3.03Å; S739-R743 VanDerWaalsContact O-N 3.07Å; V740-R743 WeakPolarHBondContact O-CB 3.49Å; V740-R743 PolarHBondContact O-N 2.9Å; R743-I746 CarbonylContact O-C 3.58Å; R743-I746 PolarHBondContact O-N 3.38Å; R743-V747 WeakPolarHBondContact O-CG2 3.41Å; R743-V747 PolarHBondContact O-N 3.48Å |
| 744 | D | 63.4 | Low | 62.8 | Low | 48 Ų | 48 | 93.7 Ų | 93.7 | 26% | 0.257 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.9 | -34.9 | -177.6 | -150 | 16.4 | 0 | 0 | 0 | 112.4 | M73 V740 K742 V747 N748 | M73-D744 HydrophobicContact CE-CB 4.25Å; M73-D744 VanDerWaalsContact CE-OD1 3.23Å; M73-D744 WeakPolarHBondContact CE-OD1 3.41Å; V740-D744 PolarHBondContact O-N 3.2Å; V740-D744 VanDerWaalsContact O-N 3.17Å; K742-D744 VanDerWaalsContact C-N 3.34Å; K742-D744 PolarHBondContact O-N 2.91Å; D744-V747 PolarHBondContact O-N 2.78Å; D744-N748 WeakPolarHBondContact O-CB 3.26Å; D744-N748 PolarHBondContact O-N 3.34Å; D744-N748 PolarHBondContact O-ND2 3.02Å |
| 745 | T | 67.5 | Low | 61.9 | Low | 79 Ų | 79 | 90.8 Ų | 90.8 | 49% | 0.485 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.7 | -34.4 | 168.9 | 36.5 | 0 | 0 | 0 | 0 | 112.2 | S741 K742 Q749 | S741-T745 PolarHBondContact O-N 3.1Å; S741-T745 PolarHBondContact O-OG1 3.36Å; K742-T745 WeakPolarHBondContact CA-OG1 3.48Å; K742-T745 PolarHBondContact O-N 2.86Å; K742-T745 PolarHBondContact O-OG1 3.23Å; K742-T745 VanDerWaalsContact O-OG1 3.11Å; T745-Q749 WeakPolarHBondContact O-CB 3.46Å; T745-Q749 VanDerWaalsContact O-CG 3.27Å; T745-Q749 WeakPolarHBondContact O-CG 3.35Å; T745-Q749 PolarHBondContact O-N 3.12Å |
| 746 | I | 63.3 | Low | 60.7 | Low | 107 Ų | 107 | 97.2 Ų | 97.2 | 55% | 0.549 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 172.6 | -70.2 | 162.4 | 0 | 0 | 0 | 111 | K742 R743 S750 | K742-I746 HydrophobicContact CB-CD1 4.44Å; K742-I746 VanDerWaalsContact O-CB 3.29Å; K742-I746 WeakPolarHBondContact O-CB 3.45Å; K742-I746 VanDerWaalsContact O-CD1 3.29Å; K742-I746 WeakPolarHBondContact O-CD1 3.41Å; K742-I746 WeakPolarHBondContact O-CG1 3.36Å; K742-I746 PolarHBondContact O-N 3.2Å; R743-I746 CarbonylContact O-C 3.58Å; R743-I746 PolarHBondContact O-N 3.38Å; I746-S750 WeakPolarHBondContact O-CA 3.45Å; I746-S750 WeakPolarHBondContact O-CB 3.31Å; I746-S750 PolarHBondContact O-N 3.05Å |
| 747 | V | 65.5 | Low | 59.5 | Low | 32 Ų | 32 | 95.9 Ų | 95.9 | 19% | 0.194 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -70 | -43.3 | 177.7 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | R743 D744 S750 N751 | R743-V747 WeakPolarHBondContact O-CG2 3.41Å; R743-V747 PolarHBondContact O-N 3.48Å; D744-V747 PolarHBondContact O-N 2.78Å; V747-S750 CarbonylContact O-C 3.56Å; V747-S750 WeakPolarHBondContact O-CA 3.42Å; V747-S750 WeakPolarHBondContact O-CB 3.47Å; V747-S750 PolarHBondContact O-N 3.12Å; V747-S750 VanDerWaalsContact O-N 3.15Å; V747-N751 PolarHBondContact O-N 2.91Å |
| 748 | N | 62.6 | Low | 58.8 | Low | 92 Ų | 92 | 95.3 Ų | 95.3 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.3 | -35.9 | 177.2 | -72.6 | -40.5 | 0 | 0 | 0 | 112.5 | D744 S750 N751 V752 | D744-N748 WeakPolarHBondContact O-CB 3.26Å; D744-N748 PolarHBondContact O-N 3.34Å; D744-N748 PolarHBondContact O-ND2 3.02Å; N748-S750 VanDerWaalsContact C-N 3.32Å; N748-N751 PolarHBondContact O-N 3.31Å; N748-V752 WeakPolarHBondContact O-CG2 3.35Å; N748-V752 PolarHBondContact O-N 3.26Å |
| 749 | Q | 53.6 | Low | 57.8 | Low | 124 Ų | 124 | 95.9 Ų | 95.9 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.2 | -32.9 | 167.8 | -76 | -179.2 | -4.8 | 0 | 0 | 111.4 | T745 L753 | T745-Q749 WeakPolarHBondContact O-CB 3.46Å; T745-Q749 VanDerWaalsContact O-CG 3.27Å; T745-Q749 WeakPolarHBondContact O-CG 3.35Å; T745-Q749 PolarHBondContact O-N 3.12Å; Q749-L753 HydrophobicContact CB-CD1 4.44Å; Q749-L753 WeakPolarHBondContact O-CA 3.46Å; Q749-L753 WeakPolarHBondContact O-CB 3.25Å; Q749-L753 WeakPolarHBondContact O-CD1 3.31Å; Q749-L753 WeakPolarHBondContact O-CG 3.29Å; Q749-L753 PolarHBondContact O-N 3.46Å |
| 750 | S | 56.6 | Low | 56.9 | Low | 49 Ų | 49 | 94.8 Ų | 94.8 | 34% | 0.343 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 173.8 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | I746 V747 N748 L753 Q754 | I746-S750 WeakPolarHBondContact O-CA 3.45Å; I746-S750 WeakPolarHBondContact O-CB 3.31Å; I746-S750 PolarHBondContact O-N 3.05Å; V747-S750 CarbonylContact O-C 3.56Å; V747-S750 WeakPolarHBondContact O-CA 3.42Å; V747-S750 WeakPolarHBondContact O-CB 3.47Å; V747-S750 PolarHBondContact O-N 3.12Å; V747-S750 VanDerWaalsContact O-N 3.15Å; N748-S750 VanDerWaalsContact C-N 3.32Å; S750-L753 CarbonylContact O-C 3.53Å; S750-Q754 WeakPolarHBondContact O-CA 3.29Å; S750-Q754 WeakPolarHBondContact O-CB 3.49Å; S750-Q754 VanDerWaalsContact O-CG 3.23Å; S750-Q754 WeakPolarHBondContact O-CG 3.31Å; S750-Q754 PolarHBondContact O-N 2.79Å; S750-Q754 PolarHBondContact O-OE1 3.12Å; S750-Q754 PolarHBondContact OG-OE1 3.43Å |
| 751 | N | 55.4 | Low | 56.2 | Low | 67 Ų | 67 | 96.7 Ų | 96.7 | 36% | 0.358 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.9 | -39 | 179.7 | -70.2 | -18.8 | 0 | 0 | 0 | 112.4 | V747 N748 Q754 S755 | V747-N751 PolarHBondContact O-N 2.91Å; N748-N751 PolarHBondContact O-N 3.31Å; N751-Q754 PolarHBondContact O-N 3.37Å; N751-S755 PolarHBondContact O-N 2.82Å |
| 752 | V | 49.9 | Very low | 55.5 | Low | 94 Ų | 94 | 98.5 Ų | 98.5 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -74.4 | -34.2 | 173.6 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | N748 Q754 S755 R756 | N748-V752 WeakPolarHBondContact O-CG2 3.35Å; N748-V752 PolarHBondContact O-N 3.26Å; V752-Q754 VanDerWaalsContact C-N 3.33Å; V752-S755 PolarHBondContact O-OG 3.18Å; V752-R756 PolarHBondContact O-N 3.38Å; V752-R756 VanDerWaalsContact O-N 3.09Å |
| 753 | L | 51.2 | Low | 54.7 | Low | 89 Ų | 89 | 101 Ų | 101 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.9 | -26.5 | 167.6 | -70.2 | 164.9 | 0 | 0 | 0 | 110.8 | Q749 S750 K757 | Q749-L753 HydrophobicContact CB-CD1 4.44Å; Q749-L753 WeakPolarHBondContact O-CA 3.46Å; Q749-L753 WeakPolarHBondContact O-CB 3.25Å; Q749-L753 WeakPolarHBondContact O-CD1 3.31Å; Q749-L753 WeakPolarHBondContact O-CG 3.29Å; Q749-L753 PolarHBondContact O-N 3.46Å; S750-L753 CarbonylContact O-C 3.53Å; L753-K757 WeakPolarHBondContact O-CA 3.37Å; L753-K757 WeakPolarHBondContact O-CB 3.48Å; L753-K757 WeakPolarHBondContact O-CG 3.23Å; L753-K757 PolarHBondContact O-N 2.77Å |
| 754 | Q | 51.4 | Low | 54.3 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 41% | 0.407 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.7 | -34.5 | 174.6 | -87.6 | 161.5 | -56.7 | 0 | 0 | 110.8 | S750 N751 V752 K757 D758 | S750-Q754 WeakPolarHBondContact O-CA 3.29Å; S750-Q754 WeakPolarHBondContact O-CB 3.49Å; S750-Q754 VanDerWaalsContact O-CG 3.23Å; S750-Q754 WeakPolarHBondContact O-CG 3.31Å; S750-Q754 PolarHBondContact O-N 2.79Å; S750-Q754 PolarHBondContact O-OE1 3.12Å; S750-Q754 PolarHBondContact OG-OE1 3.43Å; N751-Q754 PolarHBondContact O-N 3.37Å; V752-Q754 VanDerWaalsContact C-N 3.33Å; Q754-K757 CarbonylContact O-C 3.54Å; Q754-K757 VanDerWaalsContact O-C 3.32Å; Q754-K757 PolarHBondContact O-N 2.81Å; Q754-D758 PolarHBondContact O-N 2.75Å |
| 755 | S | 49.7 | Very low | 54.4 | Low | 80 Ų | 80 | 96 Ų | 96 | 56% | 0.559 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -73.6 | -27.5 | 172.8 | 79.9 | 0 | 0 | 0 | 0 | 113.9 | N751 V752 | N751-S755 PolarHBondContact O-N 2.82Å; V752-S755 PolarHBondContact O-OG 3.18Å |
| 756 | R | 43.5 | Very low | 53.9 | Low | 200 Ų | 200 | 94.2 Ų | 94.2 | 76% | 0.755 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -85.4 | -29.1 | 168.1 | -76.5 | -167.4 | 174 | -161.2 | -0.3 | 113.4 | V752 K759 | V752-R756 PolarHBondContact O-N 3.38Å; V752-R756 VanDerWaalsContact O-N 3.09Å; R756-K759 PolarHBondContact O-N 3.12Å |
| 757 | K | 45.6 | Very low | 54.1 | Low | 90 Ų | 90 | 92.8 Ų | 92.8 | 39% | 0.391 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.5 | -5.7 | 169.1 | -67.4 | -174.7 | 172.6 | 174.8 | 0 | 110.4 | L753 Q754 K759 S760 Q761 | L753-K757 WeakPolarHBondContact O-CA 3.37Å; L753-K757 WeakPolarHBondContact O-CB 3.48Å; L753-K757 WeakPolarHBondContact O-CG 3.23Å; L753-K757 PolarHBondContact O-N 2.77Å; Q754-K757 CarbonylContact O-C 3.54Å; Q754-K757 VanDerWaalsContact O-C 3.32Å; Q754-K757 PolarHBondContact O-N 2.81Å; K757-K759 PolarHBondContact O-N 2.89Å; K757-K759 VanDerWaalsContact O-N 3.15Å; K757-S760 WeakPolarHBondContact CA-OG 3.38Å; K757-S760 VanDerWaalsContact CB-OG 3.27Å; K757-S760 WeakPolarHBondContact CB-OG 3.4Å; K757-S760 WeakPolarHBondContact CG-OG 3.3Å; K757-S760 CarbonylContact O-C 3.52Å; K757-S760 VanDerWaalsContact O-C 3.31Å; K757-S760 PolarHBondContact O-N 3.29Å; K757-Q761 WeakPolarHBondContact O-CA 3.2Å; K757-Q761 WeakPolarHBondContact O-CB 3.44Å; K757-Q761 PolarHBondContact O-N 3.02Å |
| 758 | D | 48.4 | Very low | 54.3 | Low | 103 Ų | 103 | 98 Ų | 98 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.9 | -24.6 | 165.5 | -80 | -26.1 | 0 | 0 | 0 | 111.4 | Q754 I762 | Q754-D758 PolarHBondContact O-N 2.75Å; D758-I762 WeakPolarHBondContact O-CB 3.43Å; D758-I762 VanDerWaalsContact O-CD1 3.27Å; D758-I762 WeakPolarHBondContact O-CD1 3.32Å; D758-I762 WeakPolarHBondContact O-CG1 3.39Å; D758-I762 PolarHBondContact O-N 3.35Å; D758-I762 VanDerWaalsContact O-N 3.14Å |
| 759 | K | 47 | Very low | 54.7 | Low | 184 Ų | 184 | 100 Ų | 100 | 80% | 0.8 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79 | -31.6 | 164.5 | -73 | -171.9 | 176.6 | -178.7 | 0 | 114.1 | R756 K757 R763 | R756-K759 PolarHBondContact O-N 3.12Å; K757-K759 PolarHBondContact O-N 2.89Å; K757-K759 VanDerWaalsContact O-N 3.15Å; K759-R763 WeakPolarHBondContact O-CB 3.39Å; K759-R763 PolarHBondContact O-N 2.88Å |
| 760 | S | 50.7 | Low | 55.7 | Low | 38 Ų | 38 | 97.6 Ų | 97.6 | 27% | 0.266 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -93.2 | -6.6 | 178.4 | 89.5 | 0 | 0 | 0 | 0 | 114.7 | K757 R763 I764 | K757-S760 WeakPolarHBondContact CA-OG 3.38Å; K757-S760 VanDerWaalsContact CB-OG 3.27Å; K757-S760 WeakPolarHBondContact CB-OG 3.4Å; K757-S760 WeakPolarHBondContact CG-OG 3.3Å; K757-S760 CarbonylContact O-C 3.52Å; K757-S760 VanDerWaalsContact O-C 3.31Å; K757-S760 PolarHBondContact O-N 3.29Å; S760-R763 CarbonylContact O-C 3.44Å; S760-I764 WeakPolarHBondContact O-CA 3.47Å; S760-I764 WeakPolarHBondContact O-CB 3.37Å; S760-I764 VanDerWaalsContact O-CD1 3.22Å; S760-I764 WeakPolarHBondContact O-CD1 3.41Å; S760-I764 WeakPolarHBondContact O-CG1 3.45Å; S760-I764 PolarHBondContact O-N 2.86Å |
| 761 | Q | 51.6 | Low | 56.7 | Low | 71 Ų | 71 | 98 Ų | 98 | 33% | 0.332 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -101.7 | -28.5 | 177.8 | -161 | 118.4 | -14.3 | 0 | 0 | 106.4 | K757 T765 | K757-Q761 WeakPolarHBondContact O-CA 3.2Å; K757-Q761 WeakPolarHBondContact O-CB 3.44Å; K757-Q761 PolarHBondContact O-N 3.02Å; Q761-T765 WeakPolarHBondContact O-CA 3.5Å; Q761-T765 WeakPolarHBondContact O-CB 3.42Å; Q761-T765 VanDerWaalsContact O-CG2 3.27Å; Q761-T765 WeakPolarHBondContact O-CG2 3.39Å; Q761-T765 PolarHBondContact O-N 3.46Å; Q761-T765 PolarHBondContact O-OG1 2.93Å |
| 762 | I | 53.4 | Low | 57.9 | Low | 117 Ų | 117 | 95.7 Ų | 95.7 | 60% | 0.6 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.6 | -39.7 | 150.6 | -67 | 167.7 | 0 | 0 | 0 | 110.3 | D758 T765 A766 | D758-I762 WeakPolarHBondContact O-CB 3.43Å; D758-I762 VanDerWaalsContact O-CD1 3.27Å; D758-I762 WeakPolarHBondContact O-CD1 3.32Å; D758-I762 WeakPolarHBondContact O-CG1 3.39Å; D758-I762 PolarHBondContact O-N 3.35Å; D758-I762 VanDerWaalsContact O-N 3.14Å; I762-T765 WeakPolarHBondContact CA-OG1 3.37Å; I762-T765 PolarHBondContact O-OG1 2.83Å; I762-A766 WeakPolarHBondContact O-CA 3.24Å; I762-A766 WeakPolarHBondContact O-CB 3.33Å; I762-A766 PolarHBondContact O-N 3.02Å |
| 763 | R | 51.6 | Low | 59.2 | Low | 189 Ų | 189 | 96.5 Ų | 96.5 | 71% | 0.713 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.3 | -33.8 | 173.8 | -154.8 | -179.5 | -167.7 | -171 | 4.6 | 113 | K759 S760 Q767 | K759-R763 WeakPolarHBondContact O-CB 3.39Å; K759-R763 PolarHBondContact O-N 2.88Å; S760-R763 CarbonylContact O-C 3.44Å; R763-Q767 WeakPolarHBondContact O-CA 3.47Å; R763-Q767 WeakPolarHBondContact O-CB 3.33Å; R763-Q767 PolarHBondContact O-N 3.24Å |
| 764 | I | 58.2 | Low | 60.5 | Low | 67 Ų | 67 | 97.6 Ų | 97.6 | 34% | 0.344 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -85 | -29.8 | 178.4 | -72.4 | 159.8 | 0 | 0 | 0 | 110.8 | S760 Q767 R768 | S760-I764 WeakPolarHBondContact O-CA 3.47Å; S760-I764 WeakPolarHBondContact O-CB 3.37Å; S760-I764 VanDerWaalsContact O-CD1 3.22Å; S760-I764 WeakPolarHBondContact O-CD1 3.41Å; S760-I764 WeakPolarHBondContact O-CG1 3.45Å; S760-I764 PolarHBondContact O-N 2.86Å; I764-Q767 CarbonylContact O-C 3.49Å; I764-Q767 PolarHBondContact O-N 3.46Å; I764-R768 HydrophobicContact CG2-CG 4.24Å; I764-R768 WeakPolarHBondContact O-CA 3.44Å; I764-R768 WeakPolarHBondContact O-CB 3.39Å; I764-R768 WeakPolarHBondContact O-CG 3.35Å; I764-R768 PolarHBondContact O-N 2.84Å |
| 765 | T | 64.8 | Low | 61.8 | Low | 57 Ų | 57 | 101.4 Ų | 101.4 | 35% | 0.35 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.9 | -39.8 | 166.4 | 53.6 | 0 | 0 | 0 | 0 | 109.8 | Q761 I762 Q767 R768 H769 | Q761-T765 WeakPolarHBondContact O-CA 3.5Å; Q761-T765 WeakPolarHBondContact O-CB 3.42Å; Q761-T765 VanDerWaalsContact O-CG2 3.27Å; Q761-T765 WeakPolarHBondContact O-CG2 3.39Å; Q761-T765 PolarHBondContact O-N 3.46Å; Q761-T765 PolarHBondContact O-OG1 2.93Å; I762-T765 WeakPolarHBondContact CA-OG1 3.37Å; I762-T765 PolarHBondContact O-OG1 2.83Å; T765-Q767 VanDerWaalsContact C-N 3.31Å; T765-Q767 PolarHBondContact O-N 3.33Å; T765-R768 CarbonylContact O-C 3.57Å; T765-R768 PolarHBondContact O-N 2.75Å; T765-H769 WeakPolarHBondContact O-CA 3.41Å; T765-H769 VanDerWaalsContact O-CB 3.24Å; T765-H769 WeakPolarHBondContact O-CB 3.33Å; T765-H769 PolarHBondContact O-CD2 3.36Å; T765-H769 PolarHBondContact O-N 3.19Å |
| 766 | A | 57.4 | Low | 63.2 | Low | 41 Ų | 41 | 104.4 Ų | 104.4 | 34% | 0.339 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111 | I762 H769 I770 | I762-A766 WeakPolarHBondContact O-CA 3.24Å; I762-A766 WeakPolarHBondContact O-CB 3.33Å; I762-A766 PolarHBondContact O-N 3.02Å; A766-H769 CarbonylContact O-C 3.54Å; A766-H769 PolarHBondContact O-N 2.85Å; A766-I770 WeakPolarHBondContact O-CA 3.45Å; A766-I770 WeakPolarHBondContact O-CB 3.42Å; A766-I770 WeakPolarHBondContact O-CD1 3.35Å; A766-I770 WeakPolarHBondContact O-CG1 3.24Å; A766-I770 PolarHBondContact O-N 3.12Å |
| 767 | Q | 68.4 | Low | 64.9 | Low | 77 Ų | 77 | 99.4 Ų | 99.4 | 36% | 0.36 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.7 | -33.4 | 175.6 | -162.4 | 72.5 | 26.9 | 0 | 0 | 111.3 | R763 I764 T765 I770 D771 | R763-Q767 WeakPolarHBondContact O-CA 3.47Å; R763-Q767 WeakPolarHBondContact O-CB 3.33Å; R763-Q767 PolarHBondContact O-N 3.24Å; I764-Q767 CarbonylContact O-C 3.49Å; I764-Q767 PolarHBondContact O-N 3.46Å; T765-Q767 VanDerWaalsContact C-N 3.31Å; T765-Q767 PolarHBondContact O-N 3.33Å; Q767-I770 CarbonylContact O-C 3.32Å; Q767-I770 PolarHBondContact O-N 3.47Å; Q767-D771 WeakPolarHBondContact O-CA 3.34Å; Q767-D771 WeakPolarHBondContact O-CB 3.43Å; Q767-D771 PolarHBondContact O-N 2.88Å |
| 768 | R | 69.9 | Low | 66.7 | Low | 143 Ų | 143 | 102.1 Ų | 102.1 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.2 | -30.3 | 173.2 | -77.5 | 179.2 | -152.3 | 166.3 | 6.3 | 111.8 | I764 T765 G772 | I764-R768 HydrophobicContact CG2-CG 4.24Å; I764-R768 WeakPolarHBondContact O-CA 3.44Å; I764-R768 WeakPolarHBondContact O-CB 3.39Å; I764-R768 WeakPolarHBondContact O-CG 3.35Å; I764-R768 PolarHBondContact O-N 2.84Å; T765-R768 CarbonylContact O-C 3.57Å; T765-R768 PolarHBondContact O-N 2.75Å; R768-G772 WeakPolarHBondContact O-CA 3.5Å; R768-G772 PolarHBondContact O-N 3.2Å |
| 769 | H | 70.9 | Confident | 68.4 | Low | 133 Ų | 133 | 99.1 Ų | 99.1 | 62% | 0.616 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -73.4 | -38.6 | 169.5 | -85.8 | -74.6 | 0 | 0 | 0 | 109.6 | T765 A766 G772 L773 | T765-H769 WeakPolarHBondContact O-CA 3.41Å; T765-H769 VanDerWaalsContact O-CB 3.24Å; T765-H769 WeakPolarHBondContact O-CB 3.33Å; T765-H769 PolarHBondContact O-CD2 3.36Å; T765-H769 PolarHBondContact O-N 3.19Å; A766-H769 CarbonylContact O-C 3.54Å; A766-H769 PolarHBondContact O-N 2.85Å; H769-G772 CarbonylContact O-C 3.49Å; H769-L773 WeakPolarHBondContact O-CA 3.41Å; H769-L773 WeakPolarHBondContact O-CB 3.4Å; H769-L773 WeakPolarHBondContact O-CD1 3.31Å; H769-L773 WeakPolarHBondContact O-CG 3.36Å; H769-L773 PolarHBondContact O-N 3.45Å |
| 770 | I | 73.2 | Confident | 70.1 | Confident | 74 Ų | 74 | 95.7 Ų | 95.7 | 38% | 0.379 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 172.7 | -73.3 | 163.2 | 0 | 0 | 0 | 110.2 | A766 Q767 L773 K774 | A766-I770 WeakPolarHBondContact O-CA 3.45Å; A766-I770 WeakPolarHBondContact O-CB 3.42Å; A766-I770 WeakPolarHBondContact O-CD1 3.35Å; A766-I770 WeakPolarHBondContact O-CG1 3.24Å; A766-I770 PolarHBondContact O-N 3.12Å; Q767-I770 CarbonylContact O-C 3.32Å; Q767-I770 PolarHBondContact O-N 3.47Å; I770-L773 CarbonylContact O-C 3.54Å; I770-L773 PolarHBondContact O-N 3.27Å; I770-K774 HydrophobicContact CG2-CD 4.09Å; I770-K774 HydrophobicContact CG2-CG 4.38Å; I770-K774 WeakPolarHBondContact O-CA 3.09Å; I770-K774 VanDerWaalsContact O-CB 3.24Å; I770-K774 WeakPolarHBondContact O-CB 3.4Å; I770-K774 WeakPolarHBondContact O-CG 3.36Å; I770-K774 PolarHBondContact O-N 3.24Å |
| 771 | D | 79 | Confident | 71.6 | Confident | 57 Ų | 57 | 100.6 Ų | 100.6 | 31% | 0.305 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -77.9 | -28.8 | 178.9 | -69.1 | -19.5 | 0 | 0 | 0 | 110.5 | Q767 K774 R775 | Q767-D771 WeakPolarHBondContact O-CA 3.34Å; Q767-D771 WeakPolarHBondContact O-CB 3.43Å; Q767-D771 PolarHBondContact O-N 2.88Å; D771-K774 IonicContact OD1-NZ 3.64Å; D771-R775 WeakPolarHBondContact O-CB 3.46Å; D771-R775 VanDerWaalsContact O-CG 3.25Å; D771-R775 WeakPolarHBondContact O-CG 3.25Å; D771-R775 PolarHBondContact O-N 3.37Å; D771-R775 PolarHBondContact O-NE 2.76Å |
| 772 | G | 79.4 | Confident | 73.2 | Confident | 19 Ų | 19 | 103.3 Ų | 103.3 | 20% | 0.196 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -72 | -39 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 | R768 H769 R775 K776 | R768-G772 WeakPolarHBondContact O-CA 3.5Å; R768-G772 PolarHBondContact O-N 3.2Å; H769-G772 CarbonylContact O-C 3.49Å; G772-R775 PolarHBondContact O-N 3.32Å; G772-K776 VanDerWaalsContact O-CB 3.25Å; G772-K776 WeakPolarHBondContact O-CB 3.44Å; G772-K776 VanDerWaalsContact O-CG 3.22Å; G772-K776 WeakPolarHBondContact O-CG 3.15Å; G772-K776 PolarHBondContact O-N 2.8Å |
| 773 | L | 77 | Confident | 74.6 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.6 | -31.7 | 170.5 | -76.1 | 170 | 0 | 0 | 0 | 111 | H769 I770 K776 L777 | H769-L773 WeakPolarHBondContact O-CA 3.41Å; H769-L773 WeakPolarHBondContact O-CB 3.4Å; H769-L773 WeakPolarHBondContact O-CD1 3.31Å; H769-L773 WeakPolarHBondContact O-CG 3.36Å; H769-L773 PolarHBondContact O-N 3.45Å; I770-L773 CarbonylContact O-C 3.54Å; I770-L773 PolarHBondContact O-N 3.27Å; L773-K776 CarbonylContact O-C 3.57Å; L773-L777 WeakPolarHBondContact O-CA 3.43Å; L773-L777 WeakPolarHBondContact O-CB 3.41Å; L773-L777 PolarHBondContact O-N 2.86Å |
| 774 | K | 79.1 | Confident | 75.9 | Confident | 112 Ų | 112 | 96.5 Ų | 96.5 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -75.2 | -34.5 | 172.1 | -78.4 | 171.2 | -179.7 | 177.3 | 0 | 111.1 | I770 D771 L777 K778 | I770-K774 HydrophobicContact CG2-CD 4.09Å; I770-K774 HydrophobicContact CG2-CG 4.38Å; I770-K774 WeakPolarHBondContact O-CA 3.09Å; I770-K774 VanDerWaalsContact O-CB 3.24Å; I770-K774 WeakPolarHBondContact O-CB 3.4Å; I770-K774 WeakPolarHBondContact O-CG 3.36Å; I770-K774 PolarHBondContact O-N 3.24Å; D771-K774 IonicContact OD1-NZ 3.64Å; K774-L777 CarbonylContact O-C 3.31Å; K774-L777 PolarHBondContact O-N 3.5Å; K774-K778 WeakPolarHBondContact O-CA 3.33Å; K774-K778 WeakPolarHBondContact O-CB 3.34Å; K774-K778 PolarHBondContact O-N 2.96Å |
| 775 | R | 79.8 | Confident | 77.2 | Confident | 168 Ų | 168 | 95.3 Ų | 95.3 | 63% | 0.634 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.9 | -41.5 | 170.9 | -84.3 | -178.2 | -84.7 | 151.3 | -10.5 | 110.5 | D771 G772 K778 A779 | D771-R775 WeakPolarHBondContact O-CB 3.46Å; D771-R775 VanDerWaalsContact O-CG 3.25Å; D771-R775 WeakPolarHBondContact O-CG 3.25Å; D771-R775 PolarHBondContact O-N 3.37Å; D771-R775 PolarHBondContact O-NE 2.76Å; G772-R775 PolarHBondContact O-N 3.32Å; R775-K778 PolarHBondContact O-N 2.85Å; R775-A779 WeakPolarHBondContact O-CB 3.45Å; R775-A779 PolarHBondContact O-N 3.19Å |
| 776 | K | 79.2 | Confident | 78.1 | Confident | 142 Ų | 142 | 94.4 Ų | 94.4 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 169.6 | -75.7 | -179.9 | 179.2 | -169.8 | 0 | 111.2 | G772 L773 A779 I780 | G772-K776 VanDerWaalsContact O-CB 3.25Å; G772-K776 WeakPolarHBondContact O-CB 3.44Å; G772-K776 VanDerWaalsContact O-CG 3.22Å; G772-K776 WeakPolarHBondContact O-CG 3.15Å; G772-K776 PolarHBondContact O-N 2.8Å; L773-K776 CarbonylContact O-C 3.57Å; K776-A779 PolarHBondContact O-N 2.91Å; K776-I780 WeakPolarHBondContact O-CA 3.5Å; K776-I780 WeakPolarHBondContact O-CB 3.48Å; K776-I780 WeakPolarHBondContact O-CD1 3.42Å; K776-I780 WeakPolarHBondContact O-CG1 3.39Å; K776-I780 PolarHBondContact O-N 3.14Å |
| 777 | L | 78.5 | Confident | 79.2 | Confident | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.8 | -35.5 | 175.1 | -170.4 | 89.1 | 0 | 0 | 0 | 110.7 | L773 K774 K781 | L773-L777 WeakPolarHBondContact O-CA 3.43Å; L773-L777 WeakPolarHBondContact O-CB 3.41Å; L773-L777 PolarHBondContact O-N 2.86Å; K774-L777 CarbonylContact O-C 3.31Å; K774-L777 PolarHBondContact O-N 3.5Å; L777-K781 WeakPolarHBondContact O-CA 3.46Å; L777-K781 WeakPolarHBondContact O-CB 3.49Å; L777-K781 WeakPolarHBondContact O-CG 3.31Å; L777-K781 PolarHBondContact O-N 2.91Å |
| 778 | K | 83.9 | Confident | 80 | Confident | 146 Ų | 146 | 94.9 Ų | 94.9 | 64% | 0.635 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -72.4 | -40.7 | 175.6 | -171.5 | 179.6 | -179.3 | -174.4 | 0 | 110.3 | K774 R775 K781 Q782 | K774-K778 WeakPolarHBondContact O-CA 3.33Å; K774-K778 WeakPolarHBondContact O-CB 3.34Å; K774-K778 PolarHBondContact O-N 2.96Å; R775-K778 PolarHBondContact O-N 2.85Å; K778-K781 CarbonylContact O-C 3.58Å; K778-K781 PolarHBondContact O-N 3.36Å; K778-Q782 WeakPolarHBondContact O-CA 3.47Å; K778-Q782 WeakPolarHBondContact O-CB 3.38Å; K778-Q782 PolarHBondContact O-N 3.43Å |
| 779 | A | 83.7 | Confident | 80.7 | Confident | 41 Ų | 41 | 94 Ų | 94 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R775 K776 Q782 N783 | R775-A779 WeakPolarHBondContact O-CB 3.45Å; R775-A779 PolarHBondContact O-N 3.19Å; K776-A779 PolarHBondContact O-N 2.91Å; A779-Q782 PolarHBondContact O-N 3.47Å; A779-N783 WeakPolarHBondContact O-CA 3.23Å; A779-N783 WeakPolarHBondContact O-CB 3.25Å; A779-N783 PolarHBondContact O-N 3.39Å; A779-N783 PolarHBondContact O-OD1 2.83Å; A779-N783 VanDerWaalsContact O-OD1 3.12Å |
| 780 | I | 83.4 | Confident | 81.4 | Confident | 112 Ų | 112 | 92.3 Ų | 92.3 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68 | -37 | 173.5 | -70.9 | 163.3 | 0 | 0 | 0 | 110.3 | K776 S784 | K776-I780 WeakPolarHBondContact O-CA 3.5Å; K776-I780 WeakPolarHBondContact O-CB 3.48Å; K776-I780 WeakPolarHBondContact O-CD1 3.42Å; K776-I780 WeakPolarHBondContact O-CG1 3.39Å; K776-I780 PolarHBondContact O-N 3.14Å; I780-S784 WeakPolarHBondContact O-CA 3.2Å; I780-S784 WeakPolarHBondContact O-CB 3.49Å; I780-S784 PolarHBondContact O-N 3.02Å |
| 781 | K | 81.3 | Confident | 81.9 | Confident | 140 Ų | 140 | 93.6 Ų | 93.6 | 61% | 0.609 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.2 | -35.4 | 173.4 | -84.1 | -174.1 | 174.8 | -165.3 | 0 | 112.2 | L777 K778 A785 | L777-K781 WeakPolarHBondContact O-CA 3.46Å; L777-K781 WeakPolarHBondContact O-CB 3.49Å; L777-K781 WeakPolarHBondContact O-CG 3.31Å; L777-K781 PolarHBondContact O-N 2.91Å; K778-K781 CarbonylContact O-C 3.58Å; K778-K781 PolarHBondContact O-N 3.36Å; K781-A785 WeakPolarHBondContact O-CB 3.36Å; K781-A785 PolarHBondContact O-N 2.95Å |
| 782 | Q | 85.6 | Confident | 82.3 | Confident | 129 Ų | 129 | 96.9 Ų | 96.9 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -74.6 | -39.5 | 177 | -176.2 | 171.2 | -0 | 0 | 0 | 110.5 | K778 A779 S784 A785 S786 | K778-Q782 WeakPolarHBondContact O-CA 3.47Å; K778-Q782 WeakPolarHBondContact O-CB 3.38Å; K778-Q782 PolarHBondContact O-N 3.43Å; A779-Q782 PolarHBondContact O-N 3.47Å; Q782-S784 VanDerWaalsContact C-N 3.33Å; Q782-A785 CarbonylContact O-C 3.54Å; Q782-A785 PolarHBondContact O-N 3.33Å; Q782-S786 WeakPolarHBondContact O-CB 3.4Å; Q782-S786 PolarHBondContact O-N 3.06Å; Q782-S786 PolarHBondContact O-OG 3.28Å |
| 783 | N | 82.8 | Confident | 82.7 | Confident | 96 Ų | 96 | 101.1 Ų | 101.1 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -34.5 | 171 | -68.3 | 6.2 | 0 | 0 | 0 | 110.4 | A779 S786 C787 | A779-N783 WeakPolarHBondContact O-CA 3.23Å; A779-N783 WeakPolarHBondContact O-CB 3.25Å; A779-N783 PolarHBondContact O-N 3.39Å; A779-N783 PolarHBondContact O-OD1 2.83Å; A779-N783 VanDerWaalsContact O-OD1 3.12Å; N783-S786 WeakPolarHBondContact CA-OG 3.25Å; N783-S786 PolarHBondContact O-OG 3.5Å; N783-C787 WeakPolarHBondContact O-CB 3.43Å; N783-C787 PolarHBondContact O-N 2.89Å; N783-C787 PolarHBondContact O-SG 3.29Å |
| 784 | S | 79 | Confident | 83.1 | Confident | 66 Ų | 66 | 101.8 Ų | 101.8 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.2 | -36.8 | 174.1 | -176 | 0 | 0 | 0 | 0 | 110.2 | I780 Q782 T788 | I780-S784 WeakPolarHBondContact O-CA 3.2Å; I780-S784 WeakPolarHBondContact O-CB 3.49Å; I780-S784 PolarHBondContact O-N 3.02Å; Q782-S784 VanDerWaalsContact C-N 3.33Å; S784-T788 WeakPolarHBondContact O-CB 3.49Å; S784-T788 VanDerWaalsContact O-CG2 3.28Å; S784-T788 WeakPolarHBondContact O-CG2 3.26Å; S784-T788 PolarHBondContact O-N 3.16Å; S784-T788 PolarHBondContact O-OG1 3.33Å; S784-T788 VanDerWaalsContact O-OG1 3.08Å |
| 785 | A | 85.2 | Confident | 83.5 | Confident | 43 Ų | 43 | 102.2 Ų | 102.2 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K781 Q782 T788 E789 | K781-A785 WeakPolarHBondContact O-CB 3.36Å; K781-A785 PolarHBondContact O-N 2.95Å; Q782-A785 CarbonylContact O-C 3.54Å; Q782-A785 PolarHBondContact O-N 3.33Å; A785-T788 VanDerWaalsContact C-OG1 3.31Å; A785-T788 WeakPolarHBondContact CA-OG1 3.38Å; A785-T788 PolarHBondContact O-N 3.4Å; A785-T788 PolarHBondContact O-OG1 3.11Å; A785-E789 WeakPolarHBondContact O-CB 3.45Å; A785-E789 WeakPolarHBondContact O-CG 3.3Å; A785-E789 PolarHBondContact O-N 2.91Å |
| 786 | S | 84.4 | Confident | 83.9 | Confident | 37 Ų | 37 | 99.6 Ų | 99.6 | 26% | 0.259 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 175.6 | 74.4 | 0 | 0 | 0 | 0 | 110.6 | Q782 N783 T788 E789 E790 | Q782-S786 WeakPolarHBondContact O-CB 3.4Å; Q782-S786 PolarHBondContact O-N 3.06Å; Q782-S786 PolarHBondContact O-OG 3.28Å; N783-S786 WeakPolarHBondContact CA-OG 3.25Å; N783-S786 PolarHBondContact O-OG 3.5Å; S786-T788 VanDerWaalsContact C-N 3.33Å; S786-T788 PolarHBondContact O-N 3.25Å; S786-E789 PolarHBondContact O-N 2.86Å; S786-E790 VanDerWaalsContact O-CB 3.28Å; S786-E790 WeakPolarHBondContact O-CB 3.42Å; S786-E790 VanDerWaalsContact O-CG 3.23Å; S786-E790 WeakPolarHBondContact O-CG 3.41Å; S786-E790 PolarHBondContact O-N 3.22Å |
| 787 | C | 79.9 | Confident | 84.3 | Confident | 62 Ų | 62 | 97.3 Ų | 97.3 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.9 | -34.1 | 171.8 | -74.6 | 0 | 0 | 0 | 0 | 111.9 | N783 L791 | N783-C787 WeakPolarHBondContact O-CB 3.43Å; N783-C787 PolarHBondContact O-N 2.89Å; N783-C787 PolarHBondContact O-SG 3.29Å; C787-L791 WeakPolarHBondContact O-CB 3.25Å; C787-L791 WeakPolarHBondContact O-CD1 3.36Å; C787-L791 WeakPolarHBondContact O-CG 3.45Å; C787-L791 PolarHBondContact O-N 2.72Å |
| 788 | T | 84.4 | Confident | 84.5 | Confident | 66 Ų | 66 | 96.2 Ų | 96.2 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.8 | -37.8 | 172.6 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | S784 A785 S786 L791 E792 | S784-T788 WeakPolarHBondContact O-CB 3.49Å; S784-T788 VanDerWaalsContact O-CG2 3.28Å; S784-T788 WeakPolarHBondContact O-CG2 3.26Å; S784-T788 PolarHBondContact O-N 3.16Å; S784-T788 PolarHBondContact O-OG1 3.33Å; S784-T788 VanDerWaalsContact O-OG1 3.08Å; A785-T788 VanDerWaalsContact C-OG1 3.31Å; A785-T788 WeakPolarHBondContact CA-OG1 3.38Å; A785-T788 PolarHBondContact O-N 3.4Å; A785-T788 PolarHBondContact O-OG1 3.11Å; S786-T788 VanDerWaalsContact C-N 3.33Å; S786-T788 PolarHBondContact O-N 3.25Å; T788-L791 PolarHBondContact O-N 3.41Å; T788-E792 WeakPolarHBondContact O-CB 3.39Å; T788-E792 WeakPolarHBondContact O-CG 3.43Å; T788-E792 PolarHBondContact O-N 2.77Å |
| 789 | E | 85.4 | Confident | 84.7 | Confident | 125 Ų | 125 | 92.9 Ų | 92.9 | 58% | 0.584 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 172.6 | -77.2 | 173.9 | 176 | 0 | 0 | 110.9 | A785 S786 E792 E793 | A785-E789 WeakPolarHBondContact O-CB 3.45Å; A785-E789 WeakPolarHBondContact O-CG 3.3Å; A785-E789 PolarHBondContact O-N 2.91Å; S786-E789 PolarHBondContact O-N 2.86Å; E789-E792 PolarHBondContact O-N 3.35Å; E789-E793 WeakPolarHBondContact O-CB 3.43Å; E789-E793 WeakPolarHBondContact O-CG 3.45Å; E789-E793 PolarHBondContact O-N 2.9Å |
| 790 | E | 86.5 | Confident | 84.9 | Confident | 97 Ų | 97 | 98.6 Ų | 98.6 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 173.5 | -76.2 | 170.9 | -161.2 | 0 | 0 | 111 | S786 E793 F794 | S786-E790 VanDerWaalsContact O-CB 3.28Å; S786-E790 WeakPolarHBondContact O-CB 3.42Å; S786-E790 VanDerWaalsContact O-CG 3.23Å; S786-E790 WeakPolarHBondContact O-CG 3.41Å; S786-E790 PolarHBondContact O-N 3.22Å; E790-E793 PolarHBondContact O-N 3.18Å; E790-F794 HydrophobicContact CB-CD2 4.33Å; E790-F794 HydrophobicContact CB-CE2 4.24Å; E790-F794 VanDerWaalsContact O-CB 3.32Å; E790-F794 WeakPolarHBondContact O-CB 3.26Å; E790-F794 WeakPolarHBondContact O-CD2 3.46Å; E790-F794 WeakPolarHBondContact O-CG 3.48Å; E790-F794 PolarHBondContact O-N 3.44Å |
| 791 | L | 82.8 | Confident | 85 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 174.8 | -80.1 | 168.2 | 0 | 0 | 0 | 111.6 | C787 T788 F794 E795 | C787-L791 WeakPolarHBondContact O-CB 3.25Å; C787-L791 WeakPolarHBondContact O-CD1 3.36Å; C787-L791 WeakPolarHBondContact O-CG 3.45Å; C787-L791 PolarHBondContact O-N 2.72Å; T788-L791 PolarHBondContact O-N 3.41Å; L791-F794 PolarHBondContact O-N 3.48Å; L791-E795 VanDerWaalsContact O-CB 3.28Å; L791-E795 WeakPolarHBondContact O-CB 3.37Å; L791-E795 VanDerWaalsContact O-CG 3.27Å; L791-E795 WeakPolarHBondContact O-CG 3.35Å; L791-E795 PolarHBondContact O-N 3.03Å |
| 792 | E | 86.6 | Confident | 85.2 | Confident | 126 Ų | 126 | 97.8 Ų | 97.8 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 174.5 | -77.1 | 177.1 | -176.9 | 0 | 0 | 111.2 | T788 E789 E795 E796 | T788-E792 WeakPolarHBondContact O-CB 3.39Å; T788-E792 WeakPolarHBondContact O-CG 3.43Å; T788-E792 PolarHBondContact O-N 2.77Å; E789-E792 PolarHBondContact O-N 3.35Å; E792-E795 PolarHBondContact O-N 2.88Å; E792-E796 WeakPolarHBondContact O-CB 3.32Å; E792-E796 PolarHBondContact O-N 3.34Å |
| 793 | E | 88.1 | Confident | 85.3 | Confident | 109 Ų | 109 | 93.2 Ų | 93.2 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 172.6 | -82.2 | -165.4 | -165.6 | 0 | 0 | 112 | E789 E790 K797 | E789-E793 WeakPolarHBondContact O-CB 3.43Å; E789-E793 WeakPolarHBondContact O-CG 3.45Å; E789-E793 PolarHBondContact O-N 2.9Å; E790-E793 PolarHBondContact O-N 3.18Å; E793-K797 VanDerWaalsContact O-CB 3.31Å; E793-K797 WeakPolarHBondContact O-CB 3.35Å; E793-K797 WeakPolarHBondContact O-CD 3.35Å; E793-K797 WeakPolarHBondContact O-CG 3.31Å; E793-K797 PolarHBondContact O-N 3.36Å; E793-K797 IonicContact OE2-NZ 2.69Å; E793-K797 PolarHBondContact OE2-NZ 3.47Å |
| 794 | F | 86.8 | Confident | 85.5 | Confident | 124 Ų | 124 | 94.3 Ų | 94.3 | 54% | 0.544 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 177.5 | -77.6 | -55.2 | 0 | 0 | 0 | 110.6 | E790 L791 K797 T798 | E790-F794 HydrophobicContact CB-CD2 4.33Å; E790-F794 HydrophobicContact CB-CE2 4.24Å; E790-F794 VanDerWaalsContact O-CB 3.32Å; E790-F794 WeakPolarHBondContact O-CB 3.26Å; E790-F794 WeakPolarHBondContact O-CD2 3.46Å; E790-F794 WeakPolarHBondContact O-CG 3.48Å; E790-F794 PolarHBondContact O-N 3.44Å; L791-F794 PolarHBondContact O-N 3.48Å; F794-K797 HydrophobicContact CD1-CD 4.48Å; F794-K797 CarbonylContact O-C 3.47Å; F794-K797 PolarHBondContact O-N 2.86Å; F794-T798 PolarHBondContact O-N 3.25Å; F794-T798 PolarHBondContact O-OG1 2.93Å |
| 795 | E | 85.6 | Confident | 85.7 | Confident | 121 Ų | 121 | 95.8 Ų | 95.8 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.1 | -39.8 | 174.7 | -78.2 | -179.4 | 179.4 | 0 | 0 | 112.3 | L791 E792 T798 S799 | L791-E795 VanDerWaalsContact O-CB 3.28Å; L791-E795 WeakPolarHBondContact O-CB 3.37Å; L791-E795 VanDerWaalsContact O-CG 3.27Å; L791-E795 WeakPolarHBondContact O-CG 3.35Å; L791-E795 PolarHBondContact O-N 3.03Å; E792-E795 PolarHBondContact O-N 2.88Å; E795-T798 VanDerWaalsContact CA-OG1 3.29Å; E795-T798 WeakPolarHBondContact CA-OG1 3.39Å; E795-T798 PolarHBondContact O-OG1 3.4Å; E795-S799 VanDerWaalsContact O-CB 3.24Å; E795-S799 WeakPolarHBondContact O-CB 3.29Å; E795-S799 PolarHBondContact O-N 3.27Å; E795-S799 PolarHBondContact O-OG 3.37Å |
| 796 | E | 88.4 | Confident | 85.9 | Confident | 112 Ų | 112 | 97.8 Ų | 97.8 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 170.7 | -86.2 | -158.3 | -179.2 | 0 | 0 | 111.3 | E792 S799 R800 | E792-E796 WeakPolarHBondContact O-CB 3.32Å; E792-E796 PolarHBondContact O-N 3.34Å; E796-S799 PolarHBondContact O-N 2.79Å; E796-R800 WeakPolarHBondContact O-CB 3.41Å; E796-R800 VanDerWaalsContact O-CG 3.25Å; E796-R800 WeakPolarHBondContact O-CG 3.47Å; E796-R800 PolarHBondContact O-N 2.67Å; E796-R800 IonicContact OE2-CZ 3.98Å; E796-R800 IonicContact OE2-NE 2.81Å; E796-R800 IonicContact OE2-NH2 3.98Å; E796-R800 PolarHBondContact OE2-NH2 3.42Å |
| 797 | K | 87.9 | Confident | 86.1 | Confident | 95 Ų | 95 | 102 Ų | 102 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 177.5 | -75.2 | 164.9 | -168 | 155.5 | 0 | 110.9 | E793 F794 R800 L801 | E793-K797 VanDerWaalsContact O-CB 3.31Å; E793-K797 WeakPolarHBondContact O-CB 3.35Å; E793-K797 WeakPolarHBondContact O-CD 3.35Å; E793-K797 WeakPolarHBondContact O-CG 3.31Å; E793-K797 PolarHBondContact O-N 3.36Å; E793-K797 IonicContact OE2-NZ 2.69Å; E793-K797 PolarHBondContact OE2-NZ 3.47Å; F794-K797 HydrophobicContact CD1-CD 4.48Å; F794-K797 CarbonylContact O-C 3.47Å; F794-K797 PolarHBondContact O-N 2.86Å; K797-R800 PolarHBondContact O-N 2.7Å; K797-L801 WeakPolarHBondContact O-CB 3.48Å; K797-L801 VanDerWaalsContact O-CG 3.25Å; K797-L801 WeakPolarHBondContact O-CG 3.26Å; K797-L801 PolarHBondContact O-N 2.9Å |
| 798 | T | 83.6 | Confident | 86.4 | Confident | 72 Ų | 72 | 107 Ų | 107 | 44% | 0.442 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 173.8 | 25.8 | 0 | 0 | 0 | 0 | 111.2 | F794 E795 R800 L801 E802 | F794-T798 PolarHBondContact O-N 3.25Å; F794-T798 PolarHBondContact O-OG1 2.93Å; E795-T798 VanDerWaalsContact CA-OG1 3.29Å; E795-T798 WeakPolarHBondContact CA-OG1 3.39Å; E795-T798 PolarHBondContact O-OG1 3.4Å; T798-R800 VanDerWaalsContact C-N 3.33Å; T798-R800 PolarHBondContact O-N 3.48Å; T798-L801 PolarHBondContact O-N 3.13Å; T798-E802 WeakPolarHBondContact O-CB 3.44Å; T798-E802 VanDerWaalsContact O-CG 3.3Å; T798-E802 WeakPolarHBondContact O-CG 3.42Å; T798-E802 PolarHBondContact O-N 2.95Å |
| 799 | S | 87.5 | Confident | 86.4 | Confident | 77 Ų | 77 | 110 Ų | 110 | 54% | 0.538 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 176.9 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | E795 E796 G803 | E795-S799 VanDerWaalsContact O-CB 3.24Å; E795-S799 WeakPolarHBondContact O-CB 3.29Å; E795-S799 PolarHBondContact O-N 3.27Å; E795-S799 PolarHBondContact O-OG 3.37Å; E796-S799 PolarHBondContact O-N 2.79Å; S799-G803 PolarHBondContact O-N 3.38Å |
| 800 | R | 88.4 | Confident | 86.5 | Confident | 160 Ų | 160 | 106.7 Ų | 106.7 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -47.6 | 173.9 | -73.4 | 176.5 | -162.8 | -175.9 | 9.5 | 111.3 | E796 K797 T798 E802 G803 E804 | E796-R800 WeakPolarHBondContact O-CB 3.41Å; E796-R800 VanDerWaalsContact O-CG 3.25Å; E796-R800 WeakPolarHBondContact O-CG 3.47Å; E796-R800 PolarHBondContact O-N 2.67Å; E796-R800 IonicContact OE2-CZ 3.98Å; E796-R800 IonicContact OE2-NE 2.81Å; E796-R800 IonicContact OE2-NH2 3.98Å; E796-R800 PolarHBondContact OE2-NH2 3.42Å; K797-R800 PolarHBondContact O-N 2.7Å; T798-R800 VanDerWaalsContact C-N 3.33Å; T798-R800 PolarHBondContact O-N 3.48Å; R800-E802 VanDerWaalsContact C-N 3.35Å; R800-E802 PolarHBondContact O-N 3.47Å; R800-G803 PolarHBondContact O-N 3.39Å; R800-E804 WeakPolarHBondContact O-CG 3.32Å; R800-E804 PolarHBondContact O-N 2.94Å |
| 801 | L | 84.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 103.8 Ų | 103.8 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 178 | -75.2 | 172 | 0 | 0 | 0 | 111.9 | K797 T798 E804 L805 | K797-L801 WeakPolarHBondContact O-CB 3.48Å; K797-L801 VanDerWaalsContact O-CG 3.25Å; K797-L801 WeakPolarHBondContact O-CG 3.26Å; K797-L801 PolarHBondContact O-N 2.9Å; T798-L801 PolarHBondContact O-N 3.13Å; L801-E804 PolarHBondContact O-N 3.37Å; L801-L805 WeakPolarHBondContact O-CB 3.47Å; L801-L805 PolarHBondContact O-N 3.05Å |
| 802 | E | 84.9 | Confident | 86.6 | Confident | 134 Ų | 134 | 101.9 Ų | 101.9 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 174 | -76.7 | -178.5 | 176.7 | 0 | 0 | 111.6 | T798 R800 L805 C806 | T798-E802 WeakPolarHBondContact O-CB 3.44Å; T798-E802 VanDerWaalsContact O-CG 3.3Å; T798-E802 WeakPolarHBondContact O-CG 3.42Å; T798-E802 PolarHBondContact O-N 2.95Å; R800-E802 VanDerWaalsContact C-N 3.35Å; R800-E802 PolarHBondContact O-N 3.47Å; E802-L805 PolarHBondContact O-N 3.25Å; E802-C806 WeakPolarHBondContact O-CB 3.38Å; E802-C806 PolarHBondContact O-N 3.49Å |
| 803 | G | 87.9 | Confident | 86.6 | Confident | 32 Ų | 32 | 101.8 Ų | 101.8 | 33% | 0.33 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S799 R800 L805 C806 I807 | S799-G803 PolarHBondContact O-N 3.38Å; R800-G803 PolarHBondContact O-N 3.39Å; G803-L805 PolarHBondContact O-N 3.19Å; G803-C806 WeakPolarHBondContact O-CB 3.41Å; G803-C806 PolarHBondContact O-N 2.89Å; G803-I807 VanDerWaalsContact O-CG1 3.32Å; G803-I807 WeakPolarHBondContact O-CG1 3.37Å; G803-I807 PolarHBondContact O-N 3.45Å |
| 804 | E | 87.3 | Confident | 86.6 | Confident | 120 Ų | 120 | 98.8 Ų | 98.8 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 174.7 | -73.6 | -179.5 | -173.3 | 0 | 0 | 111.8 | R800 L801 C806 I807 K808 | R800-E804 WeakPolarHBondContact O-CG 3.32Å; R800-E804 PolarHBondContact O-N 2.94Å; L801-E804 PolarHBondContact O-N 3.37Å; E804-C806 VanDerWaalsContact C-N 3.32Å; E804-C806 PolarHBondContact O-N 2.9Å; E804-I807 PolarHBondContact O-N 3.2Å; E804-K808 WeakPolarHBondContact O-CB 3.35Å; E804-K808 WeakPolarHBondContact O-CG 3.38Å; E804-K808 PolarHBondContact O-N 2.87Å |
| 805 | L | 83.3 | Confident | 86.6 | Confident | 96 Ų | 96 | 98 Ų | 98 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 176.6 | -128.5 | 162.7 | 0 | 0 | 0 | 111.2 | L801 E802 G803 K808 K809 | L801-L805 WeakPolarHBondContact O-CB 3.47Å; L801-L805 PolarHBondContact O-N 3.05Å; E802-L805 PolarHBondContact O-N 3.25Å; G803-L805 PolarHBondContact O-N 3.19Å; L805-K808 PolarHBondContact O-N 2.85Å; L805-K809 HydrophobicContact CD2-CD 4.08Å; L805-K809 HydrophobicContact CD2-CG 4.16Å; L805-K809 WeakPolarHBondContact O-CB 3.46Å; L805-K809 WeakPolarHBondContact O-CG 3.37Å; L805-K809 PolarHBondContact O-N 3.33Å |
| 806 | C | 88.8 | Confident | 86.7 | Confident | 85 Ų | 85 | 97.5 Ų | 97.5 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -46.7 | 175.4 | -168.8 | 0 | 0 | 0 | 0 | 111.5 | E802 G803 E804 K808 K809 A810 | E802-C806 WeakPolarHBondContact O-CB 3.38Å; E802-C806 PolarHBondContact O-N 3.49Å; G803-C806 WeakPolarHBondContact O-CB 3.41Å; G803-C806 PolarHBondContact O-N 2.89Å; E804-C806 VanDerWaalsContact C-N 3.32Å; E804-C806 PolarHBondContact O-N 2.9Å; C806-K808 PolarHBondContact O-N 3.45Å; C806-K809 PolarHBondContact O-N 2.78Å; C806-A810 WeakPolarHBondContact O-CB 3.28Å; C806-A810 PolarHBondContact O-N 3.02Å |
| 807 | I | 88.9 | Confident | 86.6 | Confident | 127 Ų | 127 | 98.6 Ų | 98.6 | 65% | 0.651 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 176.3 | -66.1 | 164.7 | 0 | 0 | 0 | 110.8 | G803 E804 A810 G811 | G803-I807 VanDerWaalsContact O-CG1 3.32Å; G803-I807 WeakPolarHBondContact O-CG1 3.37Å; G803-I807 PolarHBondContact O-N 3.45Å; E804-I807 PolarHBondContact O-N 3.2Å; I807-A810 PolarHBondContact O-N 3.36Å; I807-G811 PolarHBondContact O-N 3.43Å |
| 808 | K | 87 | Confident | 86.6 | Confident | 165 Ų | 165 | 99.1 Ų | 99.1 | 72% | 0.717 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.2 | -40 | 178.2 | -70.8 | -72.4 | -176.4 | 179.7 | 0 | 112.1 | E804 L805 C806 G811 A812 | E804-K808 WeakPolarHBondContact O-CB 3.35Å; E804-K808 WeakPolarHBondContact O-CG 3.38Å; E804-K808 PolarHBondContact O-N 2.87Å; L805-K808 PolarHBondContact O-N 2.85Å; C806-K808 PolarHBondContact O-N 3.45Å; K808-G811 PolarHBondContact O-N 2.8Å; K808-A812 WeakPolarHBondContact O-CB 3.49Å; K808-A812 PolarHBondContact O-N 3.16Å |
| 809 | K | 84.1 | Confident | 86.6 | Confident | 130 Ų | 130 | 97.6 Ų | 97.6 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -47.2 | 173.2 | -81.1 | 178.4 | 175.1 | 176.8 | 0 | 111.7 | L805 C806 G811 A812 E813 | L805-K809 HydrophobicContact CD2-CD 4.08Å; L805-K809 HydrophobicContact CD2-CG 4.16Å; L805-K809 WeakPolarHBondContact O-CB 3.46Å; L805-K809 WeakPolarHBondContact O-CG 3.37Å; L805-K809 PolarHBondContact O-N 3.33Å; C806-K809 PolarHBondContact O-N 2.78Å; K809-G811 VanDerWaalsContact C-N 3.29Å; K809-G811 PolarHBondContact O-N 3.39Å; K809-A812 PolarHBondContact O-N 3.19Å; K809-E813 WeakPolarHBondContact O-CG 3.36Å; K809-E813 PolarHBondContact O-N 2.86Å |
| 810 | A | 86.7 | Confident | 86.6 | Confident | 56 Ų | 56 | 97 Ų | 97 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C806 I807 A814 | C806-A810 WeakPolarHBondContact O-CB 3.28Å; C806-A810 PolarHBondContact O-N 3.02Å; I807-A810 PolarHBondContact O-N 3.36Å; A810-A814 WeakPolarHBondContact O-CB 3.43Å; A810-A814 PolarHBondContact O-N 2.67Å |
| 811 | G | 89.5 | Confident | 86.6 | Confident | 35 Ų | 35 | 95.8 Ų | 95.8 | 36% | 0.361 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | I807 K808 K809 A814 E815 | I807-G811 PolarHBondContact O-N 3.43Å; K808-G811 PolarHBondContact O-N 2.8Å; K809-G811 VanDerWaalsContact C-N 3.29Å; K809-G811 PolarHBondContact O-N 3.39Å; G811-A814 PolarHBondContact O-N 3.18Å; G811-E815 WeakPolarHBondContact O-CG 3.34Å; G811-E815 PolarHBondContact O-N 3.34Å |
| 812 | A | 83.3 | Confident | 86.7 | Confident | 61 Ų | 61 | 96.1 Ų | 96.1 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K808 K809 A814 E815 Q816 | K808-A812 WeakPolarHBondContact O-CB 3.49Å; K808-A812 PolarHBondContact O-N 3.16Å; K809-A812 PolarHBondContact O-N 3.19Å; A812-A814 VanDerWaalsContact C-N 3.35Å; A812-E815 PolarHBondContact O-N 2.98Å; A812-Q816 WeakPolarHBondContact O-CB 3.37Å; A812-Q816 PolarHBondContact O-N 3.47Å |
| 813 | E | 86.2 | Confident | 86.7 | Confident | 125 Ų | 125 | 95.7 Ų | 95.7 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -37.5 | 174.6 | -73.7 | 178.9 | -172.9 | 0 | 0 | 112.4 | K809 Q816 K817 | K809-E813 WeakPolarHBondContact O-CG 3.36Å; K809-E813 PolarHBondContact O-N 2.86Å; E813-Q816 PolarHBondContact O-N 2.95Å; E813-K817 WeakPolarHBondContact O-CG 3.42Å; E813-K817 PolarHBondContact O-N 2.85Å |
| 814 | A | 87.7 | Confident | 86.4 | Confident | 45 Ų | 45 | 101.9 Ų | 101.9 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A810 G811 A812 K817 K818 | A810-A814 WeakPolarHBondContact O-CB 3.43Å; A810-A814 PolarHBondContact O-N 2.67Å; G811-A814 PolarHBondContact O-N 3.18Å; A812-A814 VanDerWaalsContact C-N 3.35Å; A814-K817 PolarHBondContact O-N 2.92Å; A814-K818 WeakPolarHBondContact O-CG 3.36Å; A814-K818 PolarHBondContact O-N 2.84Å |
| 815 | E | 86.4 | Confident | 86.4 | Confident | 107 Ų | 107 | 102.8 Ų | 102.8 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 174.9 | -70.4 | -55.9 | 139.3 | 0 | 0 | 112 | G811 A812 K818 A819 | G811-E815 WeakPolarHBondContact O-CG 3.34Å; G811-E815 PolarHBondContact O-N 3.34Å; A812-E815 PolarHBondContact O-N 2.98Å; E815-K818 PolarHBondContact O-N 3.43Å; E815-K818 IonicContact OE1-NZ 2.62Å; E815-K818 PolarHBondContact OE1-NZ 2.9Å; E815-A819 WeakPolarHBondContact O-CB 3.4Å; E815-A819 PolarHBondContact O-N 3.38Å |
| 816 | Q | 87.4 | Confident | 86.3 | Confident | 112 Ų | 112 | 104 Ų | 104 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 173.2 | -173.6 | 63.7 | 34.6 | 0 | 0 | 111.4 | A812 E813 K818 A819 D820 | A812-Q816 WeakPolarHBondContact O-CB 3.37Å; A812-Q816 PolarHBondContact O-N 3.47Å; E813-Q816 PolarHBondContact O-N 2.95Å; Q816-K818 VanDerWaalsContact C-N 3.34Å; Q816-K818 PolarHBondContact O-N 3.36Å; Q816-A819 WeakPolarHBondContact O-CB 3.49Å; Q816-A819 PolarHBondContact O-N 3.49Å; Q816-D820 PolarHBondContact NE2-OD1 3.35Å; Q816-D820 VanDerWaalsContact NE2-OD1 3.12Å; Q816-D820 VanDerWaalsContact O-CG 3.23Å; Q816-D820 PolarHBondContact O-N 3.49Å |
| 817 | K | 87.3 | Confident | 86.1 | Confident | 135 Ų | 135 | 103.1 Ų | 103.1 | 59% | 0.587 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.2 | -42.6 | 175.2 | -75.6 | 176.3 | -177.7 | 174.2 | 0 | 112 | E813 A814 D820 E821 | E813-K817 WeakPolarHBondContact O-CG 3.42Å; E813-K817 PolarHBondContact O-N 2.85Å; A814-K817 PolarHBondContact O-N 2.92Å; K817-D820 PolarHBondContact O-N 3.35Å; K817-E821 WeakPolarHBondContact O-CG 3.31Å; K817-E821 PolarHBondContact O-N 3.48Å |
| 818 | K | 87 | Confident | 85.8 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 46% | 0.457 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.6 | -72.5 | 178.1 | -168.7 | 165.7 | 0 | 112 | A814 E815 Q816 E821 L822 | A814-K818 WeakPolarHBondContact O-CG 3.36Å; A814-K818 PolarHBondContact O-N 2.84Å; E815-K818 PolarHBondContact O-N 3.43Å; E815-K818 IonicContact OE1-NZ 2.62Å; E815-K818 PolarHBondContact OE1-NZ 2.9Å; Q816-K818 VanDerWaalsContact C-N 3.34Å; Q816-K818 PolarHBondContact O-N 3.36Å; K818-E821 PolarHBondContact O-N 2.92Å; K818-L822 WeakPolarHBondContact O-CB 3.33Å; K818-L822 VanDerWaalsContact O-CG 3.3Å; K818-L822 WeakPolarHBondContact O-CG 3.44Å; K818-L822 PolarHBondContact O-N 3.46Å |
| 819 | A | 84.8 | Confident | 85.7 | Confident | 41 Ų | 41 | 97.6 Ų | 97.6 | 34% | 0.339 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E815 Q816 E821 L822 M823 | E815-A819 WeakPolarHBondContact O-CB 3.4Å; E815-A819 PolarHBondContact O-N 3.38Å; Q816-A819 WeakPolarHBondContact O-CB 3.49Å; Q816-A819 PolarHBondContact O-N 3.49Å; A819-E821 PolarHBondContact O-N 3.33Å; A819-L822 PolarHBondContact O-N 2.92Å; A819-M823 WeakPolarHBondContact O-CB 3.44Å; A819-M823 WeakPolarHBondContact O-CG 3.34Å; A819-M823 PolarHBondContact O-N 2.99Å |
| 820 | D | 87.7 | Confident | 85.7 | Confident | 65 Ų | 65 | 94.2 Ų | 94.2 | 35% | 0.348 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.7 | -65 | -20.3 | 0 | 0 | 0 | 111.8 | Q816 K817 K824 | Q816-D820 PolarHBondContact NE2-OD1 3.35Å; Q816-D820 VanDerWaalsContact NE2-OD1 3.12Å; Q816-D820 VanDerWaalsContact O-CG 3.23Å; Q816-D820 PolarHBondContact O-N 3.49Å; K817-D820 PolarHBondContact O-N 3.35Å; D820-K824 WeakPolarHBondContact O-CG 3.25Å; D820-K824 PolarHBondContact O-N 2.78Å |
| 821 | E | 88 | Confident | 85.6 | Confident | 134 Ų | 134 | 92.4 Ų | 92.4 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.9 | -44.5 | 173.3 | -76.2 | 175.2 | -173.8 | 0 | 0 | 112.1 | K817 K818 A819 K824 K825 | K817-E821 WeakPolarHBondContact O-CG 3.31Å; K817-E821 PolarHBondContact O-N 3.48Å; K818-E821 PolarHBondContact O-N 2.92Å; A819-E821 PolarHBondContact O-N 3.33Å; E821-K824 PolarHBondContact O-N 3.38Å; E821-K825 WeakPolarHBondContact O-CB 3.46Å; E821-K825 PolarHBondContact O-N 3.38Å |
| 822 | L | 86.6 | Confident | 85.5 | Confident | 109 Ų | 109 | 95 Ų | 95 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.2 | -37.8 | 177.2 | -74.8 | 173.5 | 0 | 0 | 0 | 112 | K818 A819 K825 L826 | K818-L822 WeakPolarHBondContact O-CB 3.33Å; K818-L822 VanDerWaalsContact O-CG 3.3Å; K818-L822 WeakPolarHBondContact O-CG 3.44Å; K818-L822 PolarHBondContact O-N 3.46Å; A819-L822 PolarHBondContact O-N 2.92Å; L822-K825 PolarHBondContact O-N 2.95Å; L822-L826 WeakPolarHBondContact O-CB 3.39Å; L822-L826 PolarHBondContact O-N 2.8Å |
| 823 | M | 84.4 | Confident | 85.5 | Confident | 124 Ų | 124 | 99.7 Ų | 99.7 | 61% | 0.611 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -46.5 | 173.3 | -79.8 | -172.4 | -0.6 | 0 | 0 | 111.5 | A819 K825 L826 Q827 | A819-M823 WeakPolarHBondContact O-CB 3.44Å; A819-M823 WeakPolarHBondContact O-CG 3.34Å; A819-M823 PolarHBondContact O-N 2.99Å; M823-K825 PolarHBondContact O-N 3.29Å; M823-L826 PolarHBondContact O-N 2.87Å; M823-Q827 WeakPolarHBondContact O-CB 3.45Å; M823-Q827 PolarHBondContact O-N 3.34Å |
| 824 | K | 82.6 | Confident | 85.4 | Confident | 163 Ų | 163 | 97.1 Ų | 97.1 | 71% | 0.709 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.8 | -39.1 | 174.3 | -75.8 | 177.6 | 180 | 176.1 | 0 | 111.8 | D820 E821 Q827 S828 | D820-K824 WeakPolarHBondContact O-CG 3.25Å; D820-K824 PolarHBondContact O-N 2.78Å; E821-K824 PolarHBondContact O-N 3.38Å; K824-Q827 PolarHBondContact O-N 2.84Å; K824-S828 PolarHBondContact O-N 3.42Å; K824-S828 PolarHBondContact O-OG 2.79Å |
| 825 | K | 85.9 | Confident | 85.4 | Confident | 139 Ų | 139 | 95.6 Ų | 95.6 | 60% | 0.604 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.9 | -43.9 | 179 | -151.3 | 169.4 | -169.8 | 173.7 | 0 | 112 | E821 L822 M823 Q827 S828 L829 | E821-K825 WeakPolarHBondContact O-CB 3.46Å; E821-K825 PolarHBondContact O-N 3.38Å; L822-K825 PolarHBondContact O-N 2.95Å; M823-K825 PolarHBondContact O-N 3.29Å; K825-Q827 VanDerWaalsContact C-N 3.3Å; K825-Q827 PolarHBondContact O-N 3.22Å; K825-S828 PolarHBondContact O-N 2.95Å; K825-S828 PolarHBondContact O-OG 2.78Å; K825-L829 WeakPolarHBondContact O-CG 3.47Å; K825-L829 PolarHBondContact O-N 3.5Å |
| 826 | L | 82 | Confident | 85.3 | Confident | 121 Ų | 121 | 94.3 Ų | 94.3 | 63% | 0.634 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.6 | -42.9 | 172.8 | -85.4 | 167.1 | 0 | 0 | 0 | 111.5 | L822 M823 L829 S830 | L822-L826 WeakPolarHBondContact O-CB 3.39Å; L822-L826 PolarHBondContact O-N 2.8Å; M823-L826 PolarHBondContact O-N 2.87Å; L826-L829 PolarHBondContact O-N 3.15Å; L826-S830 WeakPolarHBondContact O-CB 3.39Å; L826-S830 PolarHBondContact O-N 2.82Å |
| 827 | Q | 84.3 | Confident | 85.4 | Confident | 67 Ų | 67 | 93.3 Ų | 93.3 | 31% | 0.313 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61 | -52.7 | 176.4 | -169.7 | 60.9 | 33 | 0 | 0 | 110.9 | M823 K824 K825 L829 S830 D831 | M823-Q827 WeakPolarHBondContact O-CB 3.45Å; M823-Q827 PolarHBondContact O-N 3.34Å; K824-Q827 PolarHBondContact O-N 2.84Å; K825-Q827 VanDerWaalsContact C-N 3.3Å; K825-Q827 PolarHBondContact O-N 3.22Å; Q827-L829 PolarHBondContact O-N 2.93Å; Q827-L829 VanDerWaalsContact O-N 3.15Å; Q827-S830 WeakPolarHBondContact O-CA 3.29Å; Q827-S830 VanDerWaalsContact O-CB 3.32Å; Q827-S830 WeakPolarHBondContact O-CB 3.5Å; Q827-S830 PolarHBondContact O-N 3.48Å; Q827-D831 PolarHBondContact NE2-OD1 2.89Å; Q827-D831 VanDerWaalsContact O-CG 3.25Å; Q827-D831 PolarHBondContact O-N 3.34Å |
| 828 | S | 83.6 | Confident | 85.2 | Confident | 65 Ų | 65 | 90.5 Ų | 90.5 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.8 | -33.7 | 178.1 | 68.8 | 0 | 0 | 0 | 0 | 113.6 | K824 K825 Q832 | K824-S828 PolarHBondContact O-N 3.42Å; K824-S828 PolarHBondContact O-OG 2.79Å; K825-S828 PolarHBondContact O-N 2.95Å; K825-S828 PolarHBondContact O-OG 2.78Å; S828-Q832 WeakPolarHBondContact O-CB 3.43Å; S828-Q832 PolarHBondContact O-N 3.32Å |
| 829 | L | 85.3 | Confident | 85.1 | Confident | 111 Ų | 111 | 88.9 Ų | 88.9 | 58% | 0.581 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -74.5 | -34.6 | 175.7 | -73.3 | 171 | 0 | 0 | 0 | 112.3 | K825 L826 Q827 K833 | K825-L829 WeakPolarHBondContact O-CG 3.47Å; K825-L829 PolarHBondContact O-N 3.5Å; L826-L829 PolarHBondContact O-N 3.15Å; Q827-L829 PolarHBondContact O-N 2.93Å; Q827-L829 VanDerWaalsContact O-N 3.15Å; L829-K833 VanDerWaalsContact O-CB 3.28Å; L829-K833 WeakPolarHBondContact O-CB 3.35Å; L829-K833 PolarHBondContact O-N 2.9Å |
| 830 | S | 83.2 | Confident | 85.1 | Confident | 58 Ų | 58 | 91.2 Ų | 91.2 | 41% | 0.406 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 173.4 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | L826 Q827 Q832 K833 Q834 | L826-S830 WeakPolarHBondContact O-CB 3.39Å; L826-S830 PolarHBondContact O-N 2.82Å; Q827-S830 WeakPolarHBondContact O-CA 3.29Å; Q827-S830 VanDerWaalsContact O-CB 3.32Å; Q827-S830 WeakPolarHBondContact O-CB 3.5Å; Q827-S830 PolarHBondContact O-N 3.48Å; S830-Q832 PolarHBondContact O-N 2.93Å; S830-K833 WeakPolarHBondContact O-CB 3.45Å; S830-K833 PolarHBondContact O-N 2.88Å; S830-Q834 PolarHBondContact O-N 3.35Å |
| 831 | D | 85.2 | Confident | 85 | Confident | 18 Ų | 18 | 92.3 Ų | 92.3 | 10% | 0.096 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 178.6 | -58.7 | -27.3 | 0 | 0 | 0 | 110.5 | Q827 K833 Q834 I835 P902 | Q827-D831 PolarHBondContact NE2-OD1 2.89Å; Q827-D831 VanDerWaalsContact O-CG 3.25Å; Q827-D831 PolarHBondContact O-N 3.34Å; D831-K833 PolarHBondContact O-N 2.85Å; D831-Q834 PolarHBondContact O-N 3.46Å; D831-I835 WeakPolarHBondContact O-CG1 3.41Å; D831-I835 PolarHBondContact O-N 3.08Å; D831-P902 HydrophobicContact CB-CG 4.02Å |
| 832 | Q | 85.7 | Confident | 84.8 | Confident | 91 Ų | 91 | 88.3 Ų | 88.3 | 43% | 0.425 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 175.2 | -173 | 62.1 | 39.4 | 0 | 0 | 112.2 | S828 S830 Q834 I835 D836 | S828-Q832 WeakPolarHBondContact O-CB 3.43Å; S828-Q832 PolarHBondContact O-N 3.32Å; S830-Q832 PolarHBondContact O-N 2.93Å; Q832-Q834 VanDerWaalsContact C-N 3.26Å; Q832-Q834 PolarHBondContact O-N 2.79Å; Q832-I835 PolarHBondContact O-N 3.42Å; Q832-D836 PolarHBondContact NE2-OD1 2.98Å; Q832-D836 WeakPolarHBondContact O-CB 3.47Å; Q832-D836 PolarHBondContact O-N 3.11Å |
| 833 | K | 83.9 | Confident | 84.7 | Confident | 159 Ų | 159 | 91 Ų | 91 | 69% | 0.691 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.8 | -38.8 | 176.6 | 179.2 | -173.4 | 174.1 | -171.7 | 0 | 111.5 | L829 S830 D831 L837 | L829-K833 VanDerWaalsContact O-CB 3.28Å; L829-K833 WeakPolarHBondContact O-CB 3.35Å; L829-K833 PolarHBondContact O-N 2.9Å; S830-K833 WeakPolarHBondContact O-CB 3.45Å; S830-K833 PolarHBondContact O-N 2.88Å; D831-K833 PolarHBondContact O-N 2.85Å; K833-L837 WeakPolarHBondContact O-CB 3.3Å; K833-L837 PolarHBondContact O-N 2.89Å |
| 834 | Q | 85.5 | Confident | 84.7 | Confident | 70 Ų | 70 | 89.9 Ų | 89.9 | 33% | 0.327 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.2 | -41.5 | 178.5 | -169 | 168.1 | -9.6 | 0 | 0 | 111.3 | S830 D831 Q832 L837 F838 P902 | S830-Q834 PolarHBondContact O-N 3.35Å; D831-Q834 PolarHBondContact O-N 3.46Å; Q832-Q834 VanDerWaalsContact C-N 3.26Å; Q832-Q834 PolarHBondContact O-N 2.79Å; Q834-L837 PolarHBondContact O-N 3.33Å; Q834-F838 HydrophobicContact CG-CD2 4.08Å; Q834-F838 HydrophobicContact CG-CE2 3.62Å; Q834-F838 HydrophobicContact CG-CZ 4.47Å; Q834-F838 WeakPolarHBondContact O-CD2 3.36Å; Q834-F838 PolarHBondContact O-N 3Å; Q834-F838 VanDerWaalsContact O-N 3.09Å; Q834-P902 HydrophobicContact CB-CB 4.26Å; Q834-P902 HydrophobicContact CB-CG 4.44Å; Q834-P902 HydrophobicContact CG-CB 4.17Å |
| 835 | I | 86.5 | Confident | 84.8 | Confident | 14 Ų | 14 | 87.6 Ų | 87.6 | 7% | 0.072 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.7 | -50.8 | 171.7 | -67.1 | 164.4 | 0 | 0 | 0 | 110.6 | D831 Q832 L837 F838 E839 P902 Y905 L906 | D831-I835 WeakPolarHBondContact O-CG1 3.41Å; D831-I835 PolarHBondContact O-N 3.08Å; Q832-I835 PolarHBondContact O-N 3.42Å; I835-L837 VanDerWaalsContact C-N 3.29Å; I835-L837 PolarHBondContact O-N 3.21Å; I835-F838 PolarHBondContact O-N 3.5Å; I835-F838 VanDerWaalsContact O-N 3.16Å; I835-E839 PolarHBondContact O-N 3.47Å; I835-P902 HydrophobicContact CG1-CB 4.03Å; I835-Y905 HydrophobicContact CD1-CD1 3.57Å; I835-Y905 HydrophobicContact CD1-CE1 4.08Å; I835-Y905 HydrophobicContact CD1-CG 4.16Å; I835-Y905 HydrophobicContact CG1-CD1 4.15Å; I835-Y905 HydrophobicContact CG2-CD1 4.3Å; I835-Y905 HydrophobicContact CG2-CE1 4.3Å; I835-L906 HydrophobicContact CG2-CD2 4.08Å; I835-L906 HydrophobicContact CG2-CG 4.46Å |
| 836 | D | 85.4 | Confident | 84.6 | Confident | 79 Ų | 79 | 82.8 Ų | 82.8 | 42% | 0.422 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.9 | -38.4 | -179.2 | -68.7 | -15.6 | 0 | 0 | 0 | 111.7 | Q832 E839 L840 | Q832-D836 PolarHBondContact NE2-OD1 2.98Å; Q832-D836 WeakPolarHBondContact O-CB 3.47Å; Q832-D836 PolarHBondContact O-N 3.11Å; D836-E839 PolarHBondContact O-N 2.97Å; D836-L840 VanDerWaalsContact O-CB 3.26Å; D836-L840 WeakPolarHBondContact O-CB 3.36Å; D836-L840 PolarHBondContact O-N 2.84Å |
| 837 | L | 87.6 | Confident | 84.7 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 48% | 0.476 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 176 | -178.9 | 64.6 | 0 | 0 | 0 | 111.5 | K833 Q834 I835 L840 Q841 | K833-L837 WeakPolarHBondContact O-CB 3.3Å; K833-L837 PolarHBondContact O-N 2.89Å; Q834-L837 PolarHBondContact O-N 3.33Å; I835-L837 VanDerWaalsContact C-N 3.29Å; I835-L837 PolarHBondContact O-N 3.21Å; L837-L840 PolarHBondContact O-N 3.48Å; L837-Q841 WeakPolarHBondContact O-CG 3.44Å; L837-Q841 PolarHBondContact O-N 3.47Å |
| 838 | F | 84.5 | Confident | 84.8 | Confident | 76 Ų | 76 | 81.6 Ų | 81.6 | 33% | 0.333 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 176.6 | -75.2 | -55.8 | 0 | 0 | 0 | 112.1 | Q834 I835 Q841 A842 V903 L906 | Q834-F838 HydrophobicContact CG-CD2 4.08Å; Q834-F838 HydrophobicContact CG-CE2 3.62Å; Q834-F838 HydrophobicContact CG-CZ 4.47Å; Q834-F838 WeakPolarHBondContact O-CD2 3.36Å; Q834-F838 PolarHBondContact O-N 3Å; Q834-F838 VanDerWaalsContact O-N 3.09Å; I835-F838 PolarHBondContact O-N 3.5Å; I835-F838 VanDerWaalsContact O-N 3.16Å; F838-Q841 PolarHBondContact O-N 3.49Å; F838-A842 WeakPolarHBondContact O-CB 3.49Å; F838-A842 PolarHBondContact O-N 3.45Å; F838-V903 HydrophobicContact CE2-CG2 4.33Å; F838-L906 HydrophobicContact CB-CD1 3.43Å; F838-L906 VanDerWaalsContact CB-CD1 3.43Å; F838-L906 HydrophobicContact CD2-CD1 3.33Å; F838-L906 HydrophobicContact CE2-CD1 4.26Å; F838-L906 HydrophobicContact CG-CD1 3.65Å |
| 839 | E | 85 | Confident | 84.8 | Confident | 72 Ų | 72 | 83.3 Ų | 83.3 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 174.1 | -73.6 | -162.6 | 179.7 | 0 | 0 | 112.1 | I835 D836 A842 R843 L906 | I835-E839 PolarHBondContact O-N 3.47Å; D836-E839 PolarHBondContact O-N 2.97Å; E839-A842 PolarHBondContact O-N 3.18Å; E839-R843 WeakPolarHBondContact O-CG 3.35Å; E839-R843 PolarHBondContact O-N 2.97Å; E839-R843 IonicContact OE2-NH2 3.8Å; E839-R843 PolarHBondContact OE2-NH2 2.97Å; E839-L906 HydrophobicContact CG-CD2 4.22Å |
| 840 | L | 84.4 | Confident | 84.7 | Confident | 90 Ų | 90 | 86.4 Ų | 86.4 | 47% | 0.471 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 176.5 | -177.5 | 65.9 | 0 | 0 | 0 | 111 | D836 L837 A842 R843 Q844 | D836-L840 VanDerWaalsContact O-CB 3.26Å; D836-L840 WeakPolarHBondContact O-CB 3.36Å; D836-L840 PolarHBondContact O-N 2.84Å; L837-L840 PolarHBondContact O-N 3.48Å; L840-A842 VanDerWaalsContact C-N 3.33Å; L840-A842 PolarHBondContact O-N 2.9Å; L840-R843 PolarHBondContact O-N 3.29Å; L840-Q844 WeakPolarHBondContact O-CB 3.47Å; L840-Q844 WeakPolarHBondContact O-CG 3.38Å; L840-Q844 PolarHBondContact O-N 2.81Å |
| 841 | Q | 85.9 | Confident | 84.7 | Confident | 87 Ų | 87 | 88.2 Ų | 88.2 | 41% | 0.407 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 174.8 | -75.5 | 177.7 | -13.1 | 0 | 0 | 111.7 | L837 F838 R843 Q844 H845 | L837-Q841 WeakPolarHBondContact O-CG 3.44Å; L837-Q841 PolarHBondContact O-N 3.47Å; F838-Q841 PolarHBondContact O-N 3.49Å; Q841-R843 VanDerWaalsContact C-N 3.33Å; Q841-R843 PolarHBondContact O-N 2.97Å; Q841-Q844 PolarHBondContact O-N 3.34Å; Q841-H845 PolarHBondContact O-CD2 2.87Å; Q841-H845 PolarHBondContact O-N 3.36Å |
| 842 | A | 82.5 | Confident | 84.7 | Confident | 51 Ų | 51 | 91.1 Ų | 91.1 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F838 E839 L840 H845 A846 | F838-A842 WeakPolarHBondContact O-CB 3.49Å; F838-A842 PolarHBondContact O-N 3.45Å; E839-A842 PolarHBondContact O-N 3.18Å; L840-A842 VanDerWaalsContact C-N 3.33Å; L840-A842 PolarHBondContact O-N 2.9Å; A842-H845 PolarHBondContact O-N 3.48Å; A842-A846 PolarHBondContact O-N 2.83Å |
| 843 | R | 85.1 | Confident | 84.4 | Confident | 165 Ų | 165 | 90.1 Ų | 90.1 | 62% | 0.623 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.3 | -39.7 | 175.1 | -70.5 | -178.7 | -167 | 174.2 | 10.7 | 112.2 | E839 L840 Q841 A846 T847 | E839-R843 WeakPolarHBondContact O-CG 3.35Å; E839-R843 PolarHBondContact O-N 2.97Å; E839-R843 IonicContact OE2-NH2 3.8Å; E839-R843 PolarHBondContact OE2-NH2 2.97Å; L840-R843 PolarHBondContact O-N 3.29Å; Q841-R843 VanDerWaalsContact C-N 3.33Å; Q841-R843 PolarHBondContact O-N 2.97Å; R843-A846 WeakPolarHBondContact O-CB 3.43Å; R843-A846 PolarHBondContact O-N 3.33Å; R843-T847 PolarHBondContact O-N 3.43Å; R843-T847 PolarHBondContact O-OG1 2.84Å |
| 844 | Q | 84.4 | Confident | 84.1 | Confident | 101 Ų | 101 | 92.5 Ų | 92.5 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 174.9 | -75 | 174.8 | -8.5 | 0 | 0 | 111.6 | L840 Q841 A846 T847 L848 | L840-Q844 WeakPolarHBondContact O-CB 3.47Å; L840-Q844 WeakPolarHBondContact O-CG 3.38Å; L840-Q844 PolarHBondContact O-N 2.81Å; Q841-Q844 PolarHBondContact O-N 3.34Å; Q844-A846 VanDerWaalsContact C-N 3.34Å; Q844-A846 PolarHBondContact O-N 2.91Å; Q844-T847 VanDerWaalsContact C-OG1 3.31Å; Q844-T847 VanDerWaalsContact CA-OG1 3.28Å; Q844-T847 WeakPolarHBondContact CA-OG1 3.36Å; Q844-T847 PolarHBondContact O-N 2.82Å; Q844-T847 PolarHBondContact O-OG1 3.25Å; Q844-L848 WeakPolarHBondContact O-CG 3.42Å; Q844-L848 PolarHBondContact O-N 2.85Å |
| 845 | H | 84.1 | Confident | 84.2 | Confident | 114 Ų | 114 | 94.1 Ų | 94.1 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 172.2 | -89 | -71.7 | 0 | 0 | 0 | 112.2 | Q841 A842 T847 L848 Y849 | Q841-H845 PolarHBondContact O-CD2 2.87Å; Q841-H845 PolarHBondContact O-N 3.36Å; A842-H845 PolarHBondContact O-N 3.48Å; H845-T847 VanDerWaalsContact C-N 3.34Å; H845-T847 PolarHBondContact O-N 3.39Å; H845-L848 PolarHBondContact O-N 2.89Å; H845-Y849 WeakPolarHBondContact O-CD2 3.33Å; H845-Y849 PolarHBondContact O-N 3.03Å; H845-Y849 VanDerWaalsContact O-N 3.17Å |
| 846 | A | 83.4 | Confident | 83.9 | Confident | 39 Ų | 39 | 101 Ų | 101 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A842 R843 Q844 L848 Y849 W850 | A842-A846 PolarHBondContact O-N 2.83Å; R843-A846 WeakPolarHBondContact O-CB 3.43Å; R843-A846 PolarHBondContact O-N 3.33Å; Q844-A846 VanDerWaalsContact C-N 3.34Å; Q844-A846 PolarHBondContact O-N 2.91Å; A846-L848 VanDerWaalsContact C-N 3.34Å; A846-L848 PolarHBondContact O-N 2.87Å; A846-Y849 WeakPolarHBondContact O-CB 3.43Å; A846-Y849 PolarHBondContact O-N 3.34Å; A846-W850 PolarHBondContact O-N 3.19Å |
| 847 | T | 83.6 | Confident | 83.8 | Confident | 74 Ų | 74 | 104.2 Ų | 104.2 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 176.3 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | R843 Q844 H845 Y849 W850 E851 | R843-T847 PolarHBondContact O-N 3.43Å; R843-T847 PolarHBondContact O-OG1 2.84Å; Q844-T847 VanDerWaalsContact C-OG1 3.31Å; Q844-T847 VanDerWaalsContact CA-OG1 3.28Å; Q844-T847 WeakPolarHBondContact CA-OG1 3.36Å; Q844-T847 PolarHBondContact O-N 2.82Å; Q844-T847 PolarHBondContact O-OG1 3.25Å; H845-T847 VanDerWaalsContact C-N 3.34Å; H845-T847 PolarHBondContact O-N 3.39Å; T847-Y849 VanDerWaalsContact C-N 3.29Å; T847-Y849 PolarHBondContact O-N 3.28Å; T847-W850 PolarHBondContact O-N 3.34Å; T847-W850 VanDerWaalsContact O-N 3.16Å; T847-E851 WeakPolarHBondContact O-CG 3.47Å; T847-E851 PolarHBondContact O-N 3.19Å |
| 848 | L | 86.7 | Confident | 83.5 | Confident | 88 Ų | 88 | 103.8 Ų | 103.8 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 174 | -69.5 | 172 | 0 | 0 | 0 | 111.4 | Q844 H845 A846 E851 Q852 | Q844-L848 WeakPolarHBondContact O-CG 3.42Å; Q844-L848 PolarHBondContact O-N 2.85Å; H845-L848 PolarHBondContact O-N 2.89Å; A846-L848 VanDerWaalsContact C-N 3.34Å; A846-L848 PolarHBondContact O-N 2.87Å; L848-E851 PolarHBondContact O-N 3.27Å; L848-Q852 WeakPolarHBondContact O-CB 3.35Å; L848-Q852 VanDerWaalsContact O-CG 3.29Å; L848-Q852 WeakPolarHBondContact O-CG 3.42Å; L848-Q852 PolarHBondContact O-N 3.31Å |
| 849 | Y | 82.4 | Confident | 83.2 | Confident | 101 Ų | 101 | 110.7 Ų | 110.7 | 40% | 0.396 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 173.8 | -66 | -51.9 | 0 | 0 | 0 | 112.1 | H845 A846 T847 E851 Q852 I853 Y858 | H845-Y849 WeakPolarHBondContact O-CD2 3.33Å; H845-Y849 PolarHBondContact O-N 3.03Å; H845-Y849 VanDerWaalsContact O-N 3.17Å; A846-Y849 WeakPolarHBondContact O-CB 3.43Å; A846-Y849 PolarHBondContact O-N 3.34Å; T847-Y849 VanDerWaalsContact C-N 3.29Å; T847-Y849 PolarHBondContact O-N 3.28Å; Y849-E851 VanDerWaalsContact C-N 3.34Å; Y849-E851 PolarHBondContact O-N 3.03Å; Y849-Q852 PolarHBondContact O-N 2.98Å; Y849-I853 VanDerWaalsContact O-CG1 3.27Å; Y849-I853 WeakPolarHBondContact O-CG1 3.36Å; Y849-I853 PolarHBondContact O-N 3.05Å; Y849-Y858 AromaticContact CD1-CD2 3.98Å; Y849-Y858 HydrophobicContact CD1-CD2 3.98Å; Y849-Y858 AromaticContact CD1-CE2 3.5Å; Y849-Y858 HydrophobicContact CD1-CE2 3.5Å; Y849-Y858 VanDerWaalsContact CD1-CE2 3.5Å; Y849-Y858 HydrophobicContact CE1-CE2 4.16Å; Y849-Y858 HydrophobicContact CG-CE2 4.06Å |
| 850 | W | 83 | Confident | 82.6 | Confident | 176 Ų | 176 | 116.9 Ų | 116.9 | 67% | 0.667 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.5 | -39.1 | 174.6 | -69.2 | 120.5 | 0 | 0 | 0 | 112.7 | A846 T847 I853 R854 | A846-W850 PolarHBondContact O-N 3.19Å; T847-W850 PolarHBondContact O-N 3.34Å; T847-W850 VanDerWaalsContact O-N 3.16Å; W850-I853 HydrophobicContact CE3-CD1 3.82Å; W850-I853 HydrophobicContact CZ3-CD1 4Å; W850-I853 PolarHBondContact O-N 2.96Å; W850-R854 WeakPolarHBondContact O-CB 3.24Å; W850-R854 PolarHBondContact O-N 2.96Å |
| 851 | E | 83.3 | Confident | 81.9 | Confident | 97 Ų | 97 | 119 Ų | 119 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 174.2 | -75.1 | -177.8 | 168.4 | 0 | 0 | 112.3 | T847 L848 Y849 I853 R854 Q855 | T847-E851 WeakPolarHBondContact O-CG 3.47Å; T847-E851 PolarHBondContact O-N 3.19Å; L848-E851 PolarHBondContact O-N 3.27Å; Y849-E851 VanDerWaalsContact C-N 3.34Å; Y849-E851 PolarHBondContact O-N 3.03Å; E851-I853 VanDerWaalsContact C-N 3.31Å; E851-I853 PolarHBondContact O-N 3.41Å; E851-R854 PolarHBondContact O-N 3.35Å; E851-Q855 WeakPolarHBondContact O-CB 3.45Å; E851-Q855 VanDerWaalsContact O-CG 3.32Å; E851-Q855 WeakPolarHBondContact O-CG 3.3Å; E851-Q855 PolarHBondContact O-N 3.39Å |
| 852 | Q | 84.9 | Confident | 81.3 | Confident | 78 Ų | 78 | 116.3 Ų | 116.3 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 174 | -74.7 | 176.2 | 3.8 | 0 | 0 | 112 | L848 Y849 Q855 D856 K857 Y858 | L848-Q852 WeakPolarHBondContact O-CB 3.35Å; L848-Q852 VanDerWaalsContact O-CG 3.29Å; L848-Q852 WeakPolarHBondContact O-CG 3.42Å; L848-Q852 PolarHBondContact O-N 3.31Å; Y849-Q852 PolarHBondContact O-N 2.98Å; Q852-Q855 PolarHBondContact O-N 3.19Å; Q852-D856 PolarHBondContact O-N 2.92Å; Q852-K857 PolarHBondContact O-N 2.82Å; Q852-Y858 HydrophobicContact CB-CD2 4.29Å; Q852-Y858 PolarHBondContact O-N 3.28Å; Q852-Y858 VanDerWaalsContact O-N 3.14Å |
| 853 | I | 80.1 | Confident | 80.8 | Confident | 71 Ų | 71 | 119.6 Ų | 119.6 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 173.1 | -68.1 | 165.3 | 0 | 0 | 0 | 109.5 | Y849 W850 E851 Q855 D856 Y858 | Y849-I853 VanDerWaalsContact O-CG1 3.27Å; Y849-I853 WeakPolarHBondContact O-CG1 3.36Å; Y849-I853 PolarHBondContact O-N 3.05Å; W850-I853 HydrophobicContact CE3-CD1 3.82Å; W850-I853 HydrophobicContact CZ3-CD1 4Å; W850-I853 PolarHBondContact O-N 2.96Å; E851-I853 VanDerWaalsContact C-N 3.31Å; E851-I853 PolarHBondContact O-N 3.41Å; I853-Q855 PolarHBondContact O-N 2.71Å; I853-D856 PolarHBondContact O-N 3.35Å; I853-Y858 HydrophobicContact CD1-CD1 4.2Å; I853-Y858 HydrophobicContact CD1-CG 4.31Å; I853-Y858 HydrophobicContact CG1-CD1 3.71Å; I853-Y858 HydrophobicContact CG1-CD2 4.22Å; I853-Y858 HydrophobicContact CG1-CE1 4.48Å; I853-Y858 HydrophobicContact CG1-CG 3.54Å |
| 854 | R | 78.7 | Confident | 80.4 | Confident | 209 Ų | 209 | 114.5 Ų | 114.5 | 79% | 0.789 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.2 | -25.5 | 178.4 | -157.2 | -178.7 | 81.9 | -179.6 | 2.9 | 113.3 | W850 E851 | W850-R854 WeakPolarHBondContact O-CB 3.24Å; W850-R854 PolarHBondContact O-N 2.96Å; E851-R854 PolarHBondContact O-N 3.35Å |
| 855 | Q | 87.3 | Confident | 80 | Confident | 103 Ų | 103 | 113.7 Ų | 113.7 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 5.3 | 176.3 | -66.9 | 179.2 | 26.2 | 0 | 0 | 113.4 | E851 Q852 I853 K857 | E851-Q855 WeakPolarHBondContact O-CB 3.45Å; E851-Q855 VanDerWaalsContact O-CG 3.32Å; E851-Q855 WeakPolarHBondContact O-CG 3.3Å; E851-Q855 PolarHBondContact O-N 3.39Å; Q852-Q855 PolarHBondContact O-N 3.19Å; I853-Q855 PolarHBondContact O-N 2.71Å; Q855-K857 HydrophobicContact CB-CD 4.17Å; Q855-K857 HydrophobicContact CB-CG 4.22Å; Q855-K857 PolarHBondContact O-N 2.88Å; Q855-K857 VanDerWaalsContact O-N 3.11Å |
| 856 | D | 80.3 | Confident | 79.9 | Confident | 158 Ų | 158 | 113.1 Ų | 113.1 | 85% | 0.845 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.2 | 23.6 | -173.1 | -68 | -35 | 0 | 0 | 0 | 114.6 | Q852 I853 | Q852-D856 PolarHBondContact O-N 2.92Å; I853-D856 PolarHBondContact O-N 3.35Å |
| 857 | K | 83.5 | Confident | 79.7 | Confident | 147 Ų | 147 | 113 Ų | 113 | 64% | 0.639 | 55% | 0.548 | S | S | * | . | trans | -97.8 | -7.2 | 178.5 | -69.3 | 175.6 | -171.4 | 165.4 | 0 | 113.3 | Q852 Q855 R859 | Q852-K857 PolarHBondContact O-N 2.82Å; Q855-K857 HydrophobicContact CB-CD 4.17Å; Q855-K857 HydrophobicContact CB-CG 4.22Å; Q855-K857 PolarHBondContact O-N 2.88Å; Q855-K857 VanDerWaalsContact O-N 3.11Å; K857-R859 PolarHBondContact O-N 2.71Å | ||
| 858 | Y | 80 | Confident | 79.3 | Confident | 82 Ų | 82 | 112.3 Ų | 112.3 | 32% | 0.322 | 55% | 0.546 | S | S | . | . | trans | -72.3 | 112.7 | -176.1 | -176.5 | -104.9 | 0 | 0 | 0 | 111.8 | Y849 Q852 I853 R860 | Y849-Y858 AromaticContact CD1-CD2 3.98Å; Y849-Y858 HydrophobicContact CD1-CD2 3.98Å; Y849-Y858 AromaticContact CD1-CE2 3.5Å; Y849-Y858 HydrophobicContact CD1-CE2 3.5Å; Y849-Y858 VanDerWaalsContact CD1-CE2 3.5Å; Y849-Y858 HydrophobicContact CE1-CE2 4.16Å; Y849-Y858 HydrophobicContact CG-CE2 4.06Å; Q852-Y858 HydrophobicContact CB-CD2 4.29Å; Q852-Y858 PolarHBondContact O-N 3.28Å; Q852-Y858 VanDerWaalsContact O-N 3.14Å; I853-Y858 HydrophobicContact CD1-CD1 4.2Å; I853-Y858 HydrophobicContact CD1-CG 4.31Å; I853-Y858 HydrophobicContact CG1-CD1 3.71Å; I853-Y858 HydrophobicContact CG1-CD2 4.22Å; I853-Y858 HydrophobicContact CG1-CE1 4.48Å; I853-Y858 HydrophobicContact CG1-CG 3.54Å; Y858-R860 HydrophobicContact CE1-CG 4.42Å | ||
| 859 | R | 77.7 | Confident | 79 | Confident | 222 Ų | 222 | 112.3 Ų | 112.3 | 84% | 0.838 | 54% | 0.544 | S | S | * | . | trans | -87.1 | 118.3 | 172.8 | -171.1 | 175.9 | -178.7 | -175.1 | 0.1 | 109.1 | K857 L861 | K857-R859 PolarHBondContact O-N 2.71Å; R859-L861 PolarHBondContact O-N 3.31Å; R859-L861 VanDerWaalsContact O-N 3.09Å | ||
| 860 | R | 72.4 | Confident | 79 | Confident | 202 Ų | 202 | 112.5 Ų | 112.5 | 76% | 0.762 | 55% | 0.552 | S | S | * | * | trans | -57.3 | 117.6 | 174.1 | -69.9 | -172.8 | -179.8 | -157.8 | 0.3 | 109.7 | Y858 C862 | Y858-R860 HydrophobicContact CE1-CG 4.42Å; R860-C862 VanDerWaalsContact C-N 3.25Å; R860-C862 PolarHBondContact O-N 3.21Å | ||
| 861 | L | 70.3 | Confident | 78.8 | Confident | 134 Ų | 134 | 107.2 Ų | 107.2 | 70% | 0.702 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -62.9 | -32.3 | 176.7 | -76.9 | 154.3 | 0 | 0 | 0 | 112.1 | R859 | R859-L861 PolarHBondContact O-N 3.31Å; R859-L861 VanDerWaalsContact O-N 3.09Å |
| 862 | C | 72.8 | Confident | 78.7 | Confident | 30 Ų | 30 | 105.1 Ų | 105.1 | 20% | 0.203 | 52% | 0.522 | C | S | . | . | trans | -116.7 | 111 | 178.3 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | R860 | R860-C862 VanDerWaalsContact C-N 3.25Å; R860-C862 PolarHBondContact O-N 3.21Å | ||
| 863 | P | 72.4 | Confident | 78.6 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 78% | 0.779 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -71.9 | -27.8 | -178.3 | -19.4 | 31.5 | 0 | 0 | 0 | 114.4 | ||
| 864 | S | 76.6 | Confident | 78.9 | Confident | 59 Ų | 59 | 108.9 Ų | 108.9 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -128.6 | 156.4 | -177.9 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | T866 S867 S868 | S864-T866 PolarHBondContact O-N 3.47Å; S864-S867 WeakPolarHBondContact O-CB 3.49Å; S864-S867 PolarHBondContact O-N 2.91Å; S864-S867 VanDerWaalsContact O-N 3.1Å; S864-S867 WeakPolarHBondContact OG-CB 3.32Å; S864-S867 PolarHBondContact OG-N 2.91Å; S864-S867 VanDerWaalsContact OG-N 3.14Å; S864-S868 PolarHBondContact O-N 2.86Å |
| 865 | A | 77.3 | Confident | 79.1 | Confident | 84 Ų | 84 | 104.5 Ų | 104.5 | 69% | 0.694 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -56.2 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S867 S868 E869 | A865-S867 PolarHBondContact O-N 3.41Å; A865-S868 WeakPolarHBondContact O-CB 3.03Å; A865-S868 PolarHBondContact O-N 3.46Å; A865-S868 VanDerWaalsContact O-N 3.15Å; A865-E869 PolarHBondContact O-N 3.23Å |
| 866 | T | 80.6 | Confident | 79 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 62% | 0.62 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 175.7 | -8.1 | 0 | 0 | 0 | 0 | 112.5 | S864 S868 E869 N870 | S864-T866 PolarHBondContact O-N 3.47Å; T866-S868 VanDerWaalsContact C-N 3.32Å; T866-E869 PolarHBondContact O-N 3.36Å; T866-N870 VanDerWaalsContact O-CG 3.29Å; T866-N870 PolarHBondContact O-N 2.78Å |
| 867 | S | 79.6 | Confident | 79.3 | Confident | 37 Ų | 37 | 97.3 Ų | 97.3 | 26% | 0.259 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 175.1 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | S864 A865 N870 E871 | S864-S867 WeakPolarHBondContact O-CB 3.49Å; S864-S867 PolarHBondContact O-N 2.91Å; S864-S867 VanDerWaalsContact O-N 3.1Å; S864-S867 WeakPolarHBondContact OG-CB 3.32Å; S864-S867 PolarHBondContact OG-N 2.91Å; S864-S867 VanDerWaalsContact OG-N 3.14Å; A865-S867 PolarHBondContact O-N 3.41Å; S867-N870 PolarHBondContact O-N 3.36Å; S867-E871 PolarHBondContact O-N 2.88Å |
| 868 | S | 76.1 | Confident | 79.5 | Confident | 60 Ų | 60 | 95.6 Ų | 95.6 | 42% | 0.42 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.2 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | S864 A865 T866 R872 | S864-S868 PolarHBondContact O-N 2.86Å; A865-S868 WeakPolarHBondContact O-CB 3.03Å; A865-S868 PolarHBondContact O-N 3.46Å; A865-S868 VanDerWaalsContact O-N 3.15Å; T866-S868 VanDerWaalsContact C-N 3.32Å; S868-R872 WeakPolarHBondContact O-CB 3.35Å; S868-R872 PolarHBondContact O-N 3.49Å |
| 869 | E | 79.3 | Confident | 79.9 | Confident | 87 Ų | 87 | 92.7 Ų | 92.7 | 41% | 0.407 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 176.1 | -150.9 | 68.3 | -138.3 | 0 | 0 | 111.4 | A865 T866 R872 T873 | A865-E869 PolarHBondContact O-N 3.23Å; T866-E869 PolarHBondContact O-N 3.36Å; E869-R872 PolarHBondContact O-N 3.17Å; E869-R872 IonicContact OE1-NH1 2.72Å; E869-T873 WeakPolarHBondContact O-CB 3.44Å; E869-T873 WeakPolarHBondContact O-CG2 3.49Å; E869-T873 PolarHBondContact O-N 3.25Å; E869-T873 PolarHBondContact O-OG1 3.03Å |
| 870 | N | 82.9 | Confident | 80.4 | Confident | 106 Ų | 106 | 88.2 Ų | 88.2 | 57% | 0.567 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.8 | -43.7 | 177.1 | -72.9 | -11.9 | 0 | 0 | 0 | 112.5 | T866 S867 T873 R874 | T866-N870 VanDerWaalsContact O-CG 3.29Å; T866-N870 PolarHBondContact O-N 2.78Å; S867-N870 PolarHBondContact O-N 3.36Å; N870-T873 WeakPolarHBondContact CA-OG1 3.47Å; N870-T873 PolarHBondContact O-OG1 3.34Å; N870-R874 VanDerWaalsContact O-CB 3.31Å; N870-R874 WeakPolarHBondContact O-CB 3.48Å; N870-R874 PolarHBondContact O-N 3.42Å |
| 871 | E | 79.7 | Confident | 81.2 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 30% | 0.299 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 174.9 | -76.5 | -63.1 | 159.3 | 0 | 0 | 111.4 | S867 R874 H875 | S867-E871 PolarHBondContact O-N 2.88Å; E871-R874 WeakPolarHBondContact O-CB 3.47Å; E871-R874 PolarHBondContact O-N 2.98Å; E871-R874 IonicContact OE1-NH1 2.79Å; E871-R874 PolarHBondContact OE1-NH1 3.44Å; E871-R874 IonicContact OE2-NH1 3.55Å; E871-H875 PolarHBondContact O-CD2 3.42Å; E871-H875 PolarHBondContact O-N 3.34Å |
| 872 | R | 80 | Confident | 82 | Confident | 53 Ų | 53 | 78.2 Ų | 78.2 | 20% | 0.2 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.2 | -50.7 | 174.1 | -175.2 | -177.4 | -174.6 | -168 | 0.4 | 111.7 | S868 E869 R874 H875 V876 E914 | S868-R872 WeakPolarHBondContact O-CB 3.35Å; S868-R872 PolarHBondContact O-N 3.49Å; E869-R872 PolarHBondContact O-N 3.17Å; E869-R872 IonicContact OE1-NH1 2.72Å; R872-R874 VanDerWaalsContact C-N 3.29Å; R872-R874 PolarHBondContact O-N 2.87Å; R872-H875 PolarHBondContact O-N 2.8Å; R872-V876 WeakPolarHBondContact O-CG2 3.39Å; R872-V876 PolarHBondContact O-N 2.9Å; R872-E914 IonicContact CZ-OE2 3.58Å; R872-E914 IonicContact NE-OE2 3.74Å; R872-E914 PolarHBondContact NE-OE2 3.3Å; R872-E914 IonicContact NH2-OE2 2.71Å; R872-E914 PolarHBondContact NH2-OE2 3.23Å |
| 873 | T | 83.6 | Confident | 82.9 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 40% | 0.399 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 176.5 | 50.6 | 0 | 0 | 0 | 0 | 111.5 | E869 N870 V876 N877 | E869-T873 WeakPolarHBondContact O-CB 3.44Å; E869-T873 WeakPolarHBondContact O-CG2 3.49Å; E869-T873 PolarHBondContact O-N 3.25Å; E869-T873 PolarHBondContact O-OG1 3.03Å; N870-T873 WeakPolarHBondContact CA-OG1 3.47Å; N870-T873 PolarHBondContact O-OG1 3.34Å; T873-V876 PolarHBondContact O-N 3.33Å; T873-N877 VanDerWaalsContact O-CB 3.3Å; T873-N877 WeakPolarHBondContact O-CB 3.46Å; T873-N877 PolarHBondContact O-N 2.72Å; T873-N877 PolarHBondContact O-ND2 3.48Å |
| 874 | R | 84.8 | Confident | 83.6 | Confident | 163 Ų | 163 | 74.9 Ų | 74.9 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.2 | -46.2 | 172.8 | -172.3 | -174.1 | 178.7 | -171.2 | 0.2 | 112.2 | N870 E871 R872 N877 H878 | N870-R874 VanDerWaalsContact O-CB 3.31Å; N870-R874 WeakPolarHBondContact O-CB 3.48Å; N870-R874 PolarHBondContact O-N 3.42Å; E871-R874 WeakPolarHBondContact O-CB 3.47Å; E871-R874 PolarHBondContact O-N 2.98Å; E871-R874 IonicContact OE1-NH1 2.79Å; E871-R874 PolarHBondContact OE1-NH1 3.44Å; E871-R874 IonicContact OE2-NH1 3.55Å; R872-R874 VanDerWaalsContact C-N 3.29Å; R872-R874 PolarHBondContact O-N 2.87Å; R874-N877 PolarHBondContact O-N 3.41Å; R874-H878 VanDerWaalsContact O-CB 3.28Å; R874-H878 WeakPolarHBondContact O-CB 3.25Å; R874-H878 PolarHBondContact O-N 3.31Å |
| 875 | H | 83.1 | Confident | 84.1 | Confident | 117 Ų | 117 | 76.3 Ų | 76.3 | 54% | 0.542 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 177.7 | -76.4 | -61.8 | 0 | 0 | 0 | 113.2 | E871 R872 H878 S879 | E871-H875 PolarHBondContact O-CD2 3.42Å; E871-H875 PolarHBondContact O-N 3.34Å; R872-H875 PolarHBondContact O-N 2.8Å; H875-H878 PolarHBondContact O-N 3.16Å; H875-S879 WeakPolarHBondContact O-CB 3.23Å; H875-S879 PolarHBondContact O-N 3.07Å; H875-S879 PolarHBondContact O-OG 3.48Å |
| 876 | V | 86.9 | Confident | 84.6 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 15% | 0.152 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 174.3 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | R872 T873 H878 S879 R880 L911 E914 | R872-V876 WeakPolarHBondContact O-CG2 3.39Å; R872-V876 PolarHBondContact O-N 2.9Å; T873-V876 PolarHBondContact O-N 3.33Å; V876-H878 PolarHBondContact O-N 2.82Å; V876-S879 PolarHBondContact O-N 3.38Å; V876-R880 WeakPolarHBondContact O-CG 3.27Å; V876-R880 PolarHBondContact O-N 2.95Å; V876-L911 HydrophobicContact CG1-CD2 3.86Å; V876-E914 HydrophobicContact CG2-CB 4.39Å; V876-E914 HydrophobicContact CG2-CG 4.36Å |
| 877 | N | 86.3 | Confident | 85.1 | Confident | 86 Ų | 86 | 71 Ų | 71 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.6 | -72.3 | -21.2 | 0 | 0 | 0 | 111.3 | T873 R874 S879 R880 S881 | T873-N877 VanDerWaalsContact O-CB 3.3Å; T873-N877 WeakPolarHBondContact O-CB 3.46Å; T873-N877 PolarHBondContact O-N 2.72Å; T873-N877 PolarHBondContact O-ND2 3.48Å; R874-N877 PolarHBondContact O-N 3.41Å; N877-S879 VanDerWaalsContact C-N 3.33Å; N877-S879 PolarHBondContact O-N 3.49Å; N877-R880 PolarHBondContact O-N 2.92Å; N877-S881 PolarHBondContact O-N 3.42Å; N877-S881 PolarHBondContact O-OG 2.77Å; N877-S881 VanDerWaalsContact O-OG 3.08Å |
| 878 | H | 87.6 | Confident | 85.5 | Confident | 110 Ų | 110 | 74.6 Ų | 74.6 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 175.8 | -169.8 | 65.2 | 0 | 0 | 0 | 111.9 | R874 H875 V876 R880 S881 L882 | R874-H878 VanDerWaalsContact O-CB 3.28Å; R874-H878 WeakPolarHBondContact O-CB 3.25Å; R874-H878 PolarHBondContact O-N 3.31Å; H875-H878 PolarHBondContact O-N 3.16Å; V876-H878 PolarHBondContact O-N 2.82Å; H878-R880 PolarHBondContact O-N 3.45Å; H878-S881 PolarHBondContact O-N 3.31Å; H878-L882 WeakPolarHBondContact O-CG 3.47Å; H878-L882 PolarHBondContact O-N 3.13Å |
| 879 | S | 87 | Confident | 85.9 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 15% | 0.154 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 112 | H875 V876 N877 L882 I883 | H875-S879 WeakPolarHBondContact O-CB 3.23Å; H875-S879 PolarHBondContact O-N 3.07Å; H875-S879 PolarHBondContact O-OG 3.48Å; V876-S879 PolarHBondContact O-N 3.38Å; N877-S879 VanDerWaalsContact C-N 3.33Å; N877-S879 PolarHBondContact O-N 3.49Å; S879-L882 PolarHBondContact O-N 2.89Å; S879-I883 WeakPolarHBondContact O-CG1 3.36Å; S879-I883 PolarHBondContact O-N 3.33Å |
| 880 | R | 88.9 | Confident | 86.3 | Confident | 128 Ų | 128 | 71.7 Ų | 71.7 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 173.8 | -70.9 | 176.3 | -177.4 | 166.2 | 0.2 | 112 | V876 N877 H878 L882 I883 A884 L911 | V876-R880 WeakPolarHBondContact O-CG 3.27Å; V876-R880 PolarHBondContact O-N 2.95Å; N877-R880 PolarHBondContact O-N 2.92Å; H878-R880 PolarHBondContact O-N 3.45Å; R880-L882 VanDerWaalsContact C-N 3.34Å; R880-I883 PolarHBondContact O-N 3.45Å; R880-A884 PolarHBondContact O-N 2.9Å; R880-L911 HydrophobicContact CG-CD1 4.15Å; R880-L911 HydrophobicContact CG-CD2 3.85Å |
| 881 | S | 89 | Confident | 86.5 | Confident | 65 Ų | 65 | 71.9 Ų | 71.9 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 174.9 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | N877 H878 A884 I885 | N877-S881 PolarHBondContact O-N 3.42Å; N877-S881 PolarHBondContact O-OG 2.77Å; N877-S881 VanDerWaalsContact O-OG 3.08Å; H878-S881 PolarHBondContact O-N 3.31Å; S881-A884 PolarHBondContact O-N 3.44Å; S881-I885 VanDerWaalsContact O-CG1 3.27Å; S881-I885 WeakPolarHBondContact O-CG1 3.32Å; S881-I885 PolarHBondContact O-N 3.42Å |
| 882 | L | 88.7 | Confident | 87 | Confident | 60 Ų | 60 | 74.2 Ų | 74.2 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.7 | -72.7 | 174.1 | 0 | 0 | 0 | 112.1 | H878 S879 R880 A884 I885 I886 L907 | H878-L882 WeakPolarHBondContact O-CG 3.47Å; H878-L882 PolarHBondContact O-N 3.13Å; S879-L882 PolarHBondContact O-N 2.89Å; R880-L882 VanDerWaalsContact C-N 3.34Å; L882-A884 VanDerWaalsContact C-N 3.35Å; L882-I885 PolarHBondContact O-N 3.26Å; L882-I886 VanDerWaalsContact O-CG1 3.31Å; L882-I886 WeakPolarHBondContact O-CG1 3.33Å; L882-I886 PolarHBondContact O-N 3.39Å; L882-L907 HydrophobicContact CB-CD1 3.83Å; L882-L907 HydrophobicContact CD1-CD2 4.3Å |
| 883 | I | 89.9 | Confident | 87.2 | Confident | 22 Ų | 22 | 76.7 Ų | 76.7 | 11% | 0.113 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 173.1 | -69.4 | 178.2 | 0 | 0 | 0 | 110.8 | S879 R880 I885 I886 D887 L907 E908 L911 | S879-I883 WeakPolarHBondContact O-CG1 3.36Å; S879-I883 PolarHBondContact O-N 3.33Å; R880-I883 PolarHBondContact O-N 3.45Å; I883-I885 VanDerWaalsContact C-N 3.31Å; I883-I885 PolarHBondContact O-N 2.91Å; I883-I886 WeakPolarHBondContact O-CB 3.46Å; I883-I886 PolarHBondContact O-N 2.78Å; I883-I886 VanDerWaalsContact O-N 3.15Å; I883-D887 PolarHBondContact O-N 3.39Å; I883-L907 HydrophobicContact CD1-CB 3.87Å; I883-L907 HydrophobicContact CG1-CB 3.75Å; I883-L907 HydrophobicContact CG1-CD1 4.04Å; I883-E908 HydrophobicContact CD1-CG 3.91Å; I883-L911 HydrophobicContact CD1-CD1 3.35Å; I883-L911 HydrophobicContact CG1-CD1 4.48Å |
| 884 | A | 88.5 | Confident | 87.2 | Confident | 58 Ų | 58 | 77.7 Ų | 77.7 | 48% | 0.479 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | R880 S881 L882 D887 Q888 | R880-A884 PolarHBondContact O-N 2.9Å; S881-A884 PolarHBondContact O-N 3.44Å; L882-A884 VanDerWaalsContact C-N 3.35Å; A884-D887 PolarHBondContact O-N 3.43Å; A884-Q888 WeakPolarHBondContact O-CB 3.26Å; A884-Q888 PolarHBondContact O-N 2.98Å |
| 885 | I | 87.1 | Confident | 87 | Confident | 89 Ų | 89 | 78.6 Ų | 78.6 | 46% | 0.456 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 173.5 | -68 | 163.4 | 0 | 0 | 0 | 110.6 | S881 L882 I883 Q888 L889 | S881-I885 VanDerWaalsContact O-CG1 3.27Å; S881-I885 WeakPolarHBondContact O-CG1 3.32Å; S881-I885 PolarHBondContact O-N 3.42Å; L882-I885 PolarHBondContact O-N 3.26Å; I883-I885 VanDerWaalsContact C-N 3.31Å; I883-I885 PolarHBondContact O-N 2.91Å; I885-Q888 PolarHBondContact O-N 2.82Å; I885-L889 HydrophobicContact CG2-CD1 3.94Å; I885-L889 HydrophobicContact CG2-CG 4.36Å; I885-L889 WeakPolarHBondContact O-CB 3.33Å; I885-L889 VanDerWaalsContact O-CG 3.32Å; I885-L889 WeakPolarHBondContact O-CG 3.41Å; I885-L889 PolarHBondContact O-N 3.47Å |
| 886 | I | 88.1 | Confident | 86.9 | Confident | 12 Ų | 12 | 76 Ų | 76 | 6% | 0.062 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 175.6 | -70.6 | 166.9 | 0 | 0 | 0 | 110.2 | L882 I883 Q888 L889 V890 L900 V903 R904 L907 | L882-I886 VanDerWaalsContact O-CG1 3.31Å; L882-I886 WeakPolarHBondContact O-CG1 3.33Å; L882-I886 PolarHBondContact O-N 3.39Å; I883-I886 WeakPolarHBondContact O-CB 3.46Å; I883-I886 PolarHBondContact O-N 2.78Å; I883-I886 VanDerWaalsContact O-N 3.15Å; I886-Q888 VanDerWaalsContact C-N 3.29Å; I886-Q888 PolarHBondContact O-N 2.72Å; I886-L889 PolarHBondContact O-N 3.12Å; I886-V890 HydrophobicContact CG2-CG2 4.25Å; I886-V890 WeakPolarHBondContact O-CB 3.49Å; I886-V890 VanDerWaalsContact O-CG2 3.27Å; I886-V890 WeakPolarHBondContact O-CG2 3.44Å; I886-V890 PolarHBondContact O-N 3.26Å; I886-L900 HydrophobicContact CG2-CB 4.08Å; I886-L900 HydrophobicContact CG2-CD1 4.33Å; I886-V903 HydrophobicContact CD1-CB 4.41Å; I886-V903 HydrophobicContact CD1-CG1 3.95Å; I886-R904 HydrophobicContact CG2-CB 4.29Å; I886-R904 HydrophobicContact CG2-CG 4.34Å; I886-L907 HydrophobicContact CD1-CD1 3.72Å |
| 887 | D | 89.8 | Confident | 86.6 | Confident | 63 Ų | 63 | 80.2 Ų | 80.2 | 34% | 0.337 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 179.8 | -70.5 | -21.1 | 0 | 0 | 0 | 110.9 | I883 A884 V890 T891 R904 | I883-D887 PolarHBondContact O-N 3.39Å; A884-D887 PolarHBondContact O-N 3.43Å; D887-V890 PolarHBondContact O-N 3.28Å; D887-T891 PolarHBondContact O-N 3.41Å; D887-T891 PolarHBondContact O-OG1 3.43Å; D887-R904 IonicContact OD1-CZ 3.98Å; D887-R904 IonicContact OD1-NE 2.78Å; D887-R904 PolarHBondContact OD1-NE 3.02Å; D887-R904 IonicContact OD1-NH2 3.69Å; D887-R904 PolarHBondContact OD1-NH2 2.9Å |
| 888 | Q | 88.2 | Confident | 86.2 | Confident | 112 Ų | 112 | 82.1 Ų | 82.1 | 52% | 0.523 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 173.6 | -171 | 175.2 | -8 | 0 | 0 | 112.1 | A884 I885 I886 V890 T891 E892 | A884-Q888 WeakPolarHBondContact O-CB 3.26Å; A884-Q888 PolarHBondContact O-N 2.98Å; I885-Q888 PolarHBondContact O-N 2.82Å; I886-Q888 VanDerWaalsContact C-N 3.29Å; I886-Q888 PolarHBondContact O-N 2.72Å; Q888-V890 VanDerWaalsContact C-N 3.32Å; Q888-V890 PolarHBondContact O-N 2.95Å; Q888-T891 WeakPolarHBondContact CA-OG1 3.33Å; Q888-T891 PolarHBondContact O-N 3.28Å; Q888-T891 VanDerWaalsContact O-N 3.14Å; Q888-T891 PolarHBondContact O-OG1 3.45Å; Q888-E892 WeakPolarHBondContact CG-OE1 3.37Å; Q888-E892 PolarHBondContact NE2-OE1 2.86Å; Q888-E892 WeakPolarHBondContact O-CG 3.23Å; Q888-E892 PolarHBondContact O-N 2.86Å |
| 889 | L | 84.8 | Confident | 85.8 | Confident | 61 Ų | 61 | 81.9 Ų | 81.9 | 32% | 0.319 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 175.6 | -76 | 171.3 | 0 | 0 | 0 | 112.2 | I885 I886 T891 E892 F893 L900 | I885-L889 HydrophobicContact CG2-CD1 3.94Å; I885-L889 HydrophobicContact CG2-CG 4.36Å; I885-L889 WeakPolarHBondContact O-CB 3.33Å; I885-L889 VanDerWaalsContact O-CG 3.32Å; I885-L889 WeakPolarHBondContact O-CG 3.41Å; I885-L889 PolarHBondContact O-N 3.47Å; I886-L889 PolarHBondContact O-N 3.12Å; L889-T891 VanDerWaalsContact C-N 3.32Å; L889-E892 PolarHBondContact O-N 3.33Å; L889-F893 HydrophobicContact CD2-CD2 4.32Å; L889-F893 CarbonylContact O-C 3.59Å; L889-F893 WeakPolarHBondContact O-CA 3.46Å; L889-F893 WeakPolarHBondContact O-CB 3.48Å; L889-F893 PolarHBondContact O-N 3.12Å; L889-L900 HydrophobicContact CB-CD1 4.15Å; L889-L900 HydrophobicContact CD1-CD1 4.44Å |
| 890 | V | 88.1 | Confident | 85.5 | Confident | 25 Ų | 25 | 82.5 Ų | 82.5 | 15% | 0.152 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.8 | -33.6 | 174.4 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | I886 D887 Q888 F893 P894 Q897 L900 | I886-V890 HydrophobicContact CG2-CG2 4.25Å; I886-V890 WeakPolarHBondContact O-CB 3.49Å; I886-V890 VanDerWaalsContact O-CG2 3.27Å; I886-V890 WeakPolarHBondContact O-CG2 3.44Å; I886-V890 PolarHBondContact O-N 3.26Å; D887-V890 PolarHBondContact O-N 3.28Å; Q888-V890 VanDerWaalsContact C-N 3.32Å; Q888-V890 PolarHBondContact O-N 2.95Å; V890-F893 CarbonylContact O-C 3.57Å; V890-P894 WeakPolarHBondContact O-CA 3.49Å; V890-Q897 HydrophobicContact CG1-CB 3.88Å; V890-Q897 HydrophobicContact CG1-CG 3.63Å; V890-Q897 HydrophobicContact CG2-CB 4.09Å; V890-Q897 HydrophobicContact CG2-CG 4.07Å; V890-L900 HydrophobicContact CG2-CD1 4.37Å |
| 891 | T | 86.7 | Confident | 85.3 | Confident | 110 Ų | 110 | 81.6 Ų | 81.6 | 68% | 0.675 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -72.8 | -41.5 | 174.9 | 1.1 | 0 | 0 | 0 | 0 | 112.2 | D887 Q888 L889 | D887-T891 PolarHBondContact O-N 3.41Å; D887-T891 PolarHBondContact O-OG1 3.43Å; Q888-T891 WeakPolarHBondContact CA-OG1 3.33Å; Q888-T891 PolarHBondContact O-N 3.28Å; Q888-T891 VanDerWaalsContact O-N 3.14Å; Q888-T891 PolarHBondContact O-OG1 3.45Å; L889-T891 VanDerWaalsContact C-N 3.32Å |
| 892 | E | 89.4 | Confident | 85 | Confident | 112 Ų | 112 | 78.5 Ų | 78.5 | 52% | 0.523 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.5 | -34.6 | 178.4 | -70.4 | 177 | -167 | 0 | 0 | 111.9 | Q888 L889 | Q888-E892 WeakPolarHBondContact CG-OE1 3.37Å; Q888-E892 PolarHBondContact NE2-OE1 2.86Å; Q888-E892 WeakPolarHBondContact O-CG 3.23Å; Q888-E892 PolarHBondContact O-N 2.86Å; L889-E892 PolarHBondContact O-N 3.33Å |
| 893 | F | 84 | Confident | 84.7 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | trans | -136.5 | 81.6 | -176.3 | -53.8 | -80.1 | 0 | 0 | 0 | 111.6 | L889 V890 Q895 I896 | L889-F893 HydrophobicContact CD2-CD2 4.32Å; L889-F893 CarbonylContact O-C 3.59Å; L889-F893 WeakPolarHBondContact O-CA 3.46Å; L889-F893 WeakPolarHBondContact O-CB 3.48Å; L889-F893 PolarHBondContact O-N 3.12Å; V890-F893 CarbonylContact O-C 3.57Å; F893-Q895 PolarHBondContact O-N 3.37Å; F893-I896 HydrophobicContact CB-CB 4.48Å; F893-I896 HydrophobicContact CB-CD1 3.52Å; F893-I896 HydrophobicContact CB-CG1 3.79Å; F893-I896 HydrophobicContact CD2-CD1 4.41Å; F893-I896 HydrophobicContact CG-CD1 3.96Å; F893-I896 PolarHBondContact O-N 2.87Å | ||
| 894 | P | 83.6 | Confident | 84.4 | Confident | 86 Ų | 86 | 81.1 Ų | 81.1 | 56% | 0.558 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -59.3 | -24.4 | -177.9 | -22.7 | 31.8 | 0 | 0 | 0 | 113.8 | V890 I896 Q897 | V890-P894 WeakPolarHBondContact O-CA 3.49Å; P894-I896 VanDerWaalsContact C-N 3.26Å; P894-I896 PolarHBondContact O-N 2.84Å; P894-Q897 VanDerWaalsContact O-CB 3.25Å; P894-Q897 WeakPolarHBondContact O-CB 3.31Å; P894-Q897 PolarHBondContact O-N 2.69Å |
| 895 | Q | 81.5 | Confident | 84.2 | Confident | 182 Ų | 182 | 83.5 Ų | 83.5 | 85% | 0.85 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -65.5 | -28.7 | 179 | -62.3 | 173.9 | 4.6 | 0 | 0 | 112.5 | F893 Q897 | F893-Q895 PolarHBondContact O-N 3.37Å; Q895-Q897 VanDerWaalsContact C-N 3.3Å |
| 896 | I | 81 | Confident | 84 | Confident | 64 Ų | 64 | 80.5 Ų | 80.5 | 33% | 0.328 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -88.3 | -4.1 | -176.6 | -43.7 | 176.9 | 0 | 0 | 0 | 110.9 | F893 P894 Q898 D899 L900 | F893-I896 HydrophobicContact CB-CB 4.48Å; F893-I896 HydrophobicContact CB-CD1 3.52Å; F893-I896 HydrophobicContact CB-CG1 3.79Å; F893-I896 HydrophobicContact CD2-CD1 4.41Å; F893-I896 HydrophobicContact CG-CD1 3.96Å; F893-I896 PolarHBondContact O-N 2.87Å; P894-I896 VanDerWaalsContact C-N 3.26Å; P894-I896 PolarHBondContact O-N 2.84Å; I896-Q898 PolarHBondContact O-N 3.32Å; I896-D899 HydrophobicContact CG2-CB 4.25Å; I896-D899 PolarHBondContact O-N 3.45Å; I896-D899 VanDerWaalsContact O-N 3.16Å; I896-L900 HydrophobicContact CB-CD1 4.49Å; I896-L900 HydrophobicContact CG2-CD1 3.94Å; I896-L900 HydrophobicContact CG2-CG 4.01Å; I896-L900 PolarHBondContact O-N 3.11Å; I896-L900 VanDerWaalsContact O-N 3.14Å |
| 897 | Q | 81 | Confident | 83.8 | Confident | 112 Ų | 112 | 81 Ų | 81 | 52% | 0.523 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56 | -36.2 | 179.7 | -173.1 | 175.6 | -0.9 | 0 | 0 | 112.9 | V890 P894 Q895 E901 | V890-Q897 HydrophobicContact CG1-CB 3.88Å; V890-Q897 HydrophobicContact CG1-CG 3.63Å; V890-Q897 HydrophobicContact CG2-CB 4.09Å; V890-Q897 HydrophobicContact CG2-CG 4.07Å; P894-Q897 VanDerWaalsContact O-CB 3.25Å; P894-Q897 WeakPolarHBondContact O-CB 3.31Å; P894-Q897 PolarHBondContact O-N 2.69Å; Q895-Q897 VanDerWaalsContact C-N 3.3Å; Q897-E901 PolarHBondContact O-N 3.48Å |
| 898 | Q | 76.6 | Confident | 83.5 | Confident | 127 Ų | 127 | 80.6 Ų | 80.6 | 59% | 0.593 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69.2 | -45 | 179 | -68.3 | -178.7 | -3.7 | 0 | 0 | 111.5 | I896 L900 E901 | I896-Q898 PolarHBondContact O-N 3.32Å; Q898-L900 VanDerWaalsContact C-N 3.28Å; Q898-L900 PolarHBondContact O-N 3.29Å; Q898-E901 PolarHBondContact O-N 2.69Å |
| 899 | D | 79.4 | Confident | 83.3 | Confident | 105 Ų | 105 | 77.7 Ų | 77.7 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.4 | -26 | -178.7 | -63.2 | -25.5 | 0 | 0 | 0 | 113.3 | I896 | I896-D899 HydrophobicContact CG2-CB 4.25Å; I896-D899 PolarHBondContact O-N 3.45Å; I896-D899 VanDerWaalsContact O-N 3.16Å |
| 900 | L | 82.2 | Confident | 83 | Confident | 34 Ų | 34 | 80.7 Ų | 80.7 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -91.5 | -11.8 | -179.3 | -68.4 | 171.3 | 0 | 0 | 0 | 113.8 | I886 L889 V890 I896 Q898 V903 R904 | I886-L900 HydrophobicContact CG2-CB 4.08Å; I886-L900 HydrophobicContact CG2-CD1 4.33Å; L889-L900 HydrophobicContact CB-CD1 4.15Å; L889-L900 HydrophobicContact CD1-CD1 4.44Å; V890-L900 HydrophobicContact CG2-CD1 4.37Å; I896-L900 HydrophobicContact CB-CD1 4.49Å; I896-L900 HydrophobicContact CG2-CD1 3.94Å; I896-L900 HydrophobicContact CG2-CG 4.01Å; I896-L900 PolarHBondContact O-N 3.11Å; I896-L900 VanDerWaalsContact O-N 3.14Å; Q898-L900 VanDerWaalsContact C-N 3.28Å; Q898-L900 PolarHBondContact O-N 3.29Å; L900-V903 PolarHBondContact O-N 2.83Å; L900-R904 WeakPolarHBondContact O-CB 3.38Å; L900-R904 PolarHBondContact O-N 3.49Å |
| 901 | E | 83.1 | Confident | 82.8 | Confident | 109 Ų | 109 | 80.4 Ų | 80.4 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | -178.8 | -156.6 | -160.3 | -174.1 | 0 | 0 | 113.3 | Q897 Q898 V903 R904 Y905 | Q897-E901 PolarHBondContact O-N 3.48Å; Q898-E901 PolarHBondContact O-N 2.69Å; E901-V903 VanDerWaalsContact C-N 3.29Å; E901-V903 PolarHBondContact O-N 3.38Å; E901-R904 PolarHBondContact O-N 2.85Å; E901-Y905 WeakPolarHBondContact O-CB 3.47Å; E901-Y905 PolarHBondContact O-N 3.13Å |
| 902 | P | 82.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 178.1 | -25.8 | 35.7 | 0 | 0 | 0 | 112.8 | D831 Q834 I835 L906 | D831-P902 HydrophobicContact CB-CG 4.02Å; Q834-P902 HydrophobicContact CB-CB 4.26Å; Q834-P902 HydrophobicContact CB-CG 4.44Å; Q834-P902 HydrophobicContact CG-CB 4.17Å; I835-P902 HydrophobicContact CG1-CB 4.03Å; P902-L906 WeakPolarHBondContact O-CG 3.46Å; P902-L906 PolarHBondContact O-N 3.42Å; P902-L906 VanDerWaalsContact O-N 3.14Å |
| 903 | V | 82.8 | Confident | 81.8 | Confident | 46 Ų | 46 | 77.9 Ų | 77.9 | 28% | 0.279 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.7 | -42.6 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | F838 I886 L900 E901 L906 L907 | F838-V903 HydrophobicContact CE2-CG2 4.33Å; I886-V903 HydrophobicContact CD1-CB 4.41Å; I886-V903 HydrophobicContact CD1-CG1 3.95Å; L900-V903 PolarHBondContact O-N 2.83Å; E901-V903 VanDerWaalsContact C-N 3.29Å; E901-V903 PolarHBondContact O-N 3.38Å; V903-L906 PolarHBondContact O-N 2.95Å; V903-L907 HydrophobicContact CG1-CD1 4.08Å; V903-L907 WeakPolarHBondContact O-CG 3.44Å; V903-L907 PolarHBondContact O-N 2.81Å |
| 904 | R | 83.4 | Confident | 81.2 | Confident | 90 Ų | 90 | 75 Ų | 75 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 175.7 | -166.7 | 171 | -177.7 | -94.3 | -11.2 | 110.9 | I886 D887 L900 E901 L906 L907 E908 | I886-R904 HydrophobicContact CG2-CB 4.29Å; I886-R904 HydrophobicContact CG2-CG 4.34Å; D887-R904 IonicContact OD1-CZ 3.98Å; D887-R904 IonicContact OD1-NE 2.78Å; D887-R904 PolarHBondContact OD1-NE 3.02Å; D887-R904 IonicContact OD1-NH2 3.69Å; D887-R904 PolarHBondContact OD1-NH2 2.9Å; L900-R904 WeakPolarHBondContact O-CB 3.38Å; L900-R904 PolarHBondContact O-N 3.49Å; E901-R904 PolarHBondContact O-N 2.85Å; R904-L906 PolarHBondContact O-N 3.25Å; R904-L907 PolarHBondContact O-N 3.47Å; R904-E908 IonicContact CZ-OE1 3.89Å; R904-E908 IonicContact NH1-OE1 3.68Å; R904-E908 IonicContact NH2-OE1 2.85Å; R904-E908 WeakPolarHBondContact O-CB 3.36Å; R904-E908 WeakPolarHBondContact O-CG 3.49Å; R904-E908 PolarHBondContact O-N 3.31Å |
| 905 | Y | 84.8 | Confident | 80.7 | Confident | 109 Ų | 109 | 74.1 Ų | 74.1 | 43% | 0.427 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.9 | -46 | 177 | -178.8 | -98.5 | 0 | 0 | 0 | 112.5 | I835 E901 E908 N909 | I835-Y905 HydrophobicContact CD1-CD1 3.57Å; I835-Y905 HydrophobicContact CD1-CE1 4.08Å; I835-Y905 HydrophobicContact CD1-CG 4.16Å; I835-Y905 HydrophobicContact CG1-CD1 4.15Å; I835-Y905 HydrophobicContact CG2-CD1 4.3Å; I835-Y905 HydrophobicContact CG2-CE1 4.3Å; E901-Y905 WeakPolarHBondContact O-CB 3.47Å; E901-Y905 PolarHBondContact O-N 3.13Å; Y905-E908 PolarHBondContact O-N 3.33Å; Y905-N909 WeakPolarHBondContact CE1-ND2 3.42Å; Y905-N909 WeakPolarHBondContact O-CB 3.43Å; Y905-N909 PolarHBondContact O-N 3.01Å; Y905-N909 PolarHBondContact OH-ND2 3.43Å |
| 906 | L | 82.2 | Confident | 80.1 | Confident | 26 Ų | 26 | 70.1 Ų | 70.1 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 178.6 | -77.3 | 166.5 | 0 | 0 | 0 | 113.1 | I835 F838 E839 P902 V903 R904 K910 | I835-L906 HydrophobicContact CG2-CD2 4.08Å; I835-L906 HydrophobicContact CG2-CG 4.46Å; F838-L906 HydrophobicContact CB-CD1 3.43Å; F838-L906 VanDerWaalsContact CB-CD1 3.43Å; F838-L906 HydrophobicContact CD2-CD1 3.33Å; F838-L906 HydrophobicContact CE2-CD1 4.26Å; F838-L906 HydrophobicContact CG-CD1 3.65Å; E839-L906 HydrophobicContact CG-CD2 4.22Å; P902-L906 WeakPolarHBondContact O-CG 3.46Å; P902-L906 PolarHBondContact O-N 3.42Å; P902-L906 VanDerWaalsContact O-N 3.14Å; V903-L906 PolarHBondContact O-N 2.95Å; R904-L906 PolarHBondContact O-N 3.25Å; L906-K910 WeakPolarHBondContact O-CB 3.44Å; L906-K910 WeakPolarHBondContact O-CG 3.46Å; L906-K910 PolarHBondContact O-N 3.32Å |
| 907 | L | 83.6 | Confident | 79.2 | Confident | 21 Ų | 21 | 74 Ų | 74 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 177.3 | -70.7 | 170.4 | 0 | 0 | 0 | 111.3 | L882 I883 I886 V903 R904 K910 L911 | L882-L907 HydrophobicContact CB-CD1 3.83Å; L882-L907 HydrophobicContact CD1-CD2 4.3Å; I883-L907 HydrophobicContact CD1-CB 3.87Å; I883-L907 HydrophobicContact CG1-CB 3.75Å; I883-L907 HydrophobicContact CG1-CD1 4.04Å; I886-L907 HydrophobicContact CD1-CD1 3.72Å; V903-L907 HydrophobicContact CG1-CD1 4.08Å; V903-L907 WeakPolarHBondContact O-CG 3.44Å; V903-L907 PolarHBondContact O-N 2.81Å; R904-L907 PolarHBondContact O-N 3.47Å; L907-K910 PolarHBondContact O-N 3.11Å; L907-L911 WeakPolarHBondContact O-CB 3.35Å; L907-L911 PolarHBondContact O-N 3.04Å |
| 908 | E | 85.3 | Confident | 78.1 | Confident | 55 Ų | 55 | 72.7 Ų | 72.7 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 175.6 | -77.4 | -172.3 | -171.5 | 0 | 0 | 112 | I883 R904 Y905 K910 L911 K912 | I883-E908 HydrophobicContact CD1-CG 3.91Å; R904-E908 IonicContact CZ-OE1 3.89Å; R904-E908 IonicContact NH1-OE1 3.68Å; R904-E908 IonicContact NH2-OE1 2.85Å; R904-E908 WeakPolarHBondContact O-CB 3.36Å; R904-E908 WeakPolarHBondContact O-CG 3.49Å; R904-E908 PolarHBondContact O-N 3.31Å; Y905-E908 PolarHBondContact O-N 3.33Å; E908-K910 PolarHBondContact O-N 3.44Å; E908-L911 PolarHBondContact O-N 3.39Å; E908-K912 WeakPolarHBondContact O-CB 3.22Å; E908-K912 WeakPolarHBondContact O-CG 3.28Å; E908-K912 PolarHBondContact O-N 3.28Å |
| 909 | N | 82.7 | Confident | 77 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.9 | -85.4 | -4.1 | 0 | 0 | 0 | 112.1 | Y905 K912 S913 | Y905-N909 WeakPolarHBondContact CE1-ND2 3.42Å; Y905-N909 WeakPolarHBondContact O-CB 3.43Å; Y905-N909 PolarHBondContact O-N 3.01Å; Y905-N909 PolarHBondContact OH-ND2 3.43Å; N909-K912 PolarHBondContact O-N 3.43Å; N909-S913 WeakPolarHBondContact O-CB 3.27Å; N909-S913 PolarHBondContact O-N 2.82Å; N909-S913 PolarHBondContact O-OG 3.09Å |
| 910 | K | 79.6 | Confident | 75.9 | Confident | 124 Ų | 124 | 71.8 Ų | 71.8 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 172.9 | -77.9 | -178 | 179.7 | 178 | 0 | 111.2 | L906 L907 E908 K912 S913 E914 | L906-K910 WeakPolarHBondContact O-CB 3.44Å; L906-K910 WeakPolarHBondContact O-CG 3.46Å; L906-K910 PolarHBondContact O-N 3.32Å; L907-K910 PolarHBondContact O-N 3.11Å; E908-K910 PolarHBondContact O-N 3.44Å; K910-K912 PolarHBondContact O-N 2.9Å; K910-S913 PolarHBondContact O-N 3.18Å; K910-S913 PolarHBondContact O-OG 3.38Å; K910-E914 WeakPolarHBondContact O-CG 3.38Å; K910-E914 PolarHBondContact O-N 3.48Å |
| 911 | L | 82.7 | Confident | 74.4 | Confident | 19 Ų | 19 | 74 Ų | 74 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 177 | -81.6 | 159.5 | 0 | 0 | 0 | 113.2 | V876 R880 I883 L907 E908 E914 N915 | V876-L911 HydrophobicContact CG1-CD2 3.86Å; R880-L911 HydrophobicContact CG-CD1 4.15Å; R880-L911 HydrophobicContact CG-CD2 3.85Å; I883-L911 HydrophobicContact CD1-CD1 3.35Å; I883-L911 HydrophobicContact CG1-CD1 4.48Å; L907-L911 WeakPolarHBondContact O-CB 3.35Å; L907-L911 PolarHBondContact O-N 3.04Å; E908-L911 PolarHBondContact O-N 3.39Å; L911-E914 PolarHBondContact O-N 3.46Å; L911-N915 WeakPolarHBondContact O-CB 3.4Å; L911-N915 PolarHBondContact O-N 2.95Å |
| 912 | K | 79.1 | Confident | 72.9 | Confident | 113 Ų | 113 | 73.1 Ų | 73.1 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.4 | -75.8 | 173.5 | -177 | 165.8 | 0 | 111.5 | E908 N909 K910 E914 N915 N916 | E908-K912 WeakPolarHBondContact O-CB 3.22Å; E908-K912 WeakPolarHBondContact O-CG 3.28Å; E908-K912 PolarHBondContact O-N 3.28Å; N909-K912 PolarHBondContact O-N 3.43Å; K910-K912 PolarHBondContact O-N 2.9Å; K912-E914 VanDerWaalsContact C-N 3.27Å; K912-E914 PolarHBondContact O-N 3.19Å; K912-N915 PolarHBondContact O-N 3.29Å; K912-N916 PolarHBondContact O-N 3.2Å |
| 913 | S | 76.3 | Confident | 71.4 | Confident | 57 Ų | 57 | 77.1 Ų | 77.1 | 40% | 0.399 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -34.3 | 177.8 | 74.9 | 0 | 0 | 0 | 0 | 112.6 | N909 K910 R917 | N909-S913 WeakPolarHBondContact O-CB 3.27Å; N909-S913 PolarHBondContact O-N 2.82Å; N909-S913 PolarHBondContact O-OG 3.09Å; K910-S913 PolarHBondContact O-N 3.18Å; K910-S913 PolarHBondContact O-OG 3.38Å; S913-R917 WeakPolarHBondContact O-CG 3.49Å; S913-R917 PolarHBondContact O-N 3.34Å |
| 914 | E | 72.3 | Confident | 69.8 | Low | 44 Ų | 44 | 81.6 Ų | 81.6 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -73.7 | -41.3 | 176.2 | -75.4 | -63.6 | 154.4 | 0 | 0 | 112.4 | R872 V876 K910 L911 K912 R917 L918 | R872-E914 IonicContact CZ-OE2 3.58Å; R872-E914 IonicContact NE-OE2 3.74Å; R872-E914 PolarHBondContact NE-OE2 3.3Å; R872-E914 IonicContact NH2-OE2 2.71Å; R872-E914 PolarHBondContact NH2-OE2 3.23Å; V876-E914 HydrophobicContact CG2-CB 4.39Å; V876-E914 HydrophobicContact CG2-CG 4.36Å; K910-E914 WeakPolarHBondContact O-CG 3.38Å; K910-E914 PolarHBondContact O-N 3.48Å; L911-E914 PolarHBondContact O-N 3.46Å; K912-E914 VanDerWaalsContact C-N 3.27Å; K912-E914 PolarHBondContact O-N 3.19Å; E914-R917 PolarHBondContact O-N 2.85Å; E914-R917 IonicContact OE1-NH1 3.99Å; E914-L918 PolarHBondContact O-N 3.38Å |
| 915 | N | 72.4 | Confident | 68.1 | Low | 68 Ų | 68 | 81.2 Ų | 81.2 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175 | -76.2 | -10.7 | 0 | 0 | 0 | 111.7 | L911 K912 R917 L918 E919 | L911-N915 WeakPolarHBondContact O-CB 3.4Å; L911-N915 PolarHBondContact O-N 2.95Å; K912-N915 PolarHBondContact O-N 3.29Å; N915-R917 VanDerWaalsContact C-N 3.26Å; N915-R917 PolarHBondContact O-N 3.38Å; N915-L918 WeakPolarHBondContact O-CB 3.45Å; N915-L918 PolarHBondContact O-N 3.34Å; N915-L918 VanDerWaalsContact O-N 3.15Å; N915-E919 PolarHBondContact O-N 2.87Å |
| 916 | N | 69 | Low | 66.4 | Low | 98 Ų | 98 | 83 Ų | 83 | 52% | 0.524 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.1 | -32 | 177.3 | -73.3 | -0 | 0 | 0 | 0 | 112.4 | K912 E919 T920 | K912-N916 PolarHBondContact O-N 3.2Å; N916-E919 PolarHBondContact O-N 2.89Å; N916-T920 PolarHBondContact O-N 3.01Å; N916-T920 PolarHBondContact O-OG1 2.8Å |
| 917 | R | 62.7 | Low | 64.8 | Low | 146 Ų | 146 | 85.8 Ų | 85.8 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67.7 | -37.1 | 175.3 | -80.3 | 178.1 | 174.2 | 173.6 | -2 | 112.4 | S913 E914 N915 T920 D921 | S913-R917 WeakPolarHBondContact O-CG 3.49Å; S913-R917 PolarHBondContact O-N 3.34Å; E914-R917 PolarHBondContact O-N 2.85Å; E914-R917 IonicContact OE1-NH1 3.99Å; N915-R917 VanDerWaalsContact C-N 3.26Å; N915-R917 PolarHBondContact O-N 3.38Å; R917-T920 WeakPolarHBondContact CA-OG1 3.48Å; R917-T920 PolarHBondContact O-N 3.03Å; R917-T920 PolarHBondContact O-OG1 3.46Å; R917-D921 PolarHBondContact O-N 3.48Å; R917-D921 VanDerWaalsContact O-N 3.09Å |
| 918 | L | 58 | Low | 63 | Low | 84 Ų | 84 | 88.9 Ų | 88.9 | 44% | 0.44 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.7 | -72.9 | 164.4 | 0 | 0 | 0 | 111.7 | E914 N915 T920 D921 V922 | E914-L918 PolarHBondContact O-N 3.38Å; N915-L918 WeakPolarHBondContact O-CB 3.45Å; N915-L918 PolarHBondContact O-N 3.34Å; N915-L918 VanDerWaalsContact O-N 3.15Å; L918-T920 VanDerWaalsContact C-N 3.32Å; L918-T920 PolarHBondContact O-N 3.28Å; L918-D921 PolarHBondContact O-N 3.31Å; L918-V922 WeakPolarHBondContact O-CG2 3.42Å; L918-V922 PolarHBondContact O-N 3.04Å; L918-V922 VanDerWaalsContact O-N 3.07Å |
| 919 | E | 53.4 | Low | 61 | Low | 137 Ų | 137 | 93.6 Ų | 93.6 | 64% | 0.64 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.9 | -35.8 | 175.5 | -70.8 | -177.4 | 173.2 | 0 | 0 | 112.6 | N915 N916 T923 | N915-E919 PolarHBondContact O-N 2.87Å; N916-E919 PolarHBondContact O-N 2.89Å; E919-T923 PolarHBondContact O-N 2.73Å; E919-T923 PolarHBondContact O-OG1 3.06Å |
| 920 | T | 55.2 | Low | 59.4 | Low | 75 Ų | 75 | 95.2 Ų | 95.2 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.3 | -26.6 | 175.8 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | N916 R917 L918 T923 K924 | N916-T920 PolarHBondContact O-N 3.01Å; N916-T920 PolarHBondContact O-OG1 2.8Å; R917-T920 WeakPolarHBondContact CA-OG1 3.48Å; R917-T920 PolarHBondContact O-N 3.03Å; R917-T920 PolarHBondContact O-OG1 3.46Å; L918-T920 VanDerWaalsContact C-N 3.32Å; L918-T920 PolarHBondContact O-N 3.28Å; T920-T923 WeakPolarHBondContact CA-OG1 3.43Å; T920-T923 PolarHBondContact O-OG1 3.46Å; T920-T923 VanDerWaalsContact O-OG1 3.09Å; T920-K924 PolarHBondContact O-N 3.27Å |
| 921 | D | 51.7 | Low | 57.7 | Low | 81 Ų | 81 | 96.2 Ų | 96.2 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -79.9 | -37.7 | 176.7 | -76.8 | -23.8 | 0 | 0 | 0 | 111.4 | R917 L918 T923 K924 V925 | R917-D921 PolarHBondContact O-N 3.48Å; R917-D921 VanDerWaalsContact O-N 3.09Å; L918-D921 PolarHBondContact O-N 3.31Å; D921-T923 PolarHBondContact O-N 3.34Å; D921-K924 PolarHBondContact O-N 3.44Å; D921-V925 WeakPolarHBondContact O-CG2 2.78Å; D921-V925 PolarHBondContact O-N 3.14Å; D921-V925 VanDerWaalsContact O-N 3.1Å |
| 922 | V | 51.2 | Low | 55.6 | Low | 90 Ų | 90 | 103.4 Ų | 103.4 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 175 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | L918 K924 V925 E926 | L918-V922 WeakPolarHBondContact O-CG2 3.42Å; L918-V922 PolarHBondContact O-N 3.04Å; L918-V922 VanDerWaalsContact O-N 3.07Å; V922-K924 VanDerWaalsContact C-N 3.31Å; V922-K924 PolarHBondContact O-N 3.35Å; V922-V925 PolarHBondContact O-N 3.2Å; V922-E926 PolarHBondContact O-N 3.4Å |
| 923 | T | 51.1 | Low | 53.5 | Low | 85 Ų | 85 | 105.7 Ų | 105.7 | 52% | 0.521 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.8 | -25.7 | 176.7 | 46.4 | 0 | 0 | 0 | 0 | 113.7 | E919 T920 D921 T927 | E919-T923 PolarHBondContact O-N 2.73Å; E919-T923 PolarHBondContact O-OG1 3.06Å; T920-T923 WeakPolarHBondContact CA-OG1 3.43Å; T920-T923 PolarHBondContact O-OG1 3.46Å; T920-T923 VanDerWaalsContact O-OG1 3.09Å; D921-T923 PolarHBondContact O-N 3.34Å; T923-T927 PolarHBondContact O-OG1 3.29Å |
| 924 | K | 48.7 | Very low | 52.4 | Low | 141 Ų | 141 | 108.2 Ų | 108.2 | 61% | 0.613 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -79.8 | -31 | 173.9 | -79.4 | -179.2 | 179.4 | 175.5 | 0 | 113.2 | T920 D921 V922 T927 T928 | T920-K924 PolarHBondContact O-N 3.27Å; D921-K924 PolarHBondContact O-N 3.44Å; V922-K924 VanDerWaalsContact C-N 3.31Å; V922-K924 PolarHBondContact O-N 3.35Å; K924-T927 WeakPolarHBondContact CA-OG1 3.22Å; K924-T927 PolarHBondContact O-N 3.1Å; K924-T927 PolarHBondContact O-OG1 3.31Å; K924-T928 PolarHBondContact O-N 3.28Å; K924-T928 PolarHBondContact O-OG1 3.49Å |
| 925 | V | 48.7 | Very low | 51.3 | Low | 82 Ų | 82 | 111.5 Ų | 111.5 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71 | -41 | 177.7 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | D921 V922 T927 T928 E929 | D921-V925 WeakPolarHBondContact O-CG2 2.78Å; D921-V925 PolarHBondContact O-N 3.14Å; D921-V925 VanDerWaalsContact O-N 3.1Å; V922-V925 PolarHBondContact O-N 3.2Å; V925-T927 PolarHBondContact O-N 3.44Å; V925-T928 PolarHBondContact O-N 3.3Å; V925-T928 VanDerWaalsContact O-N 3.12Å; V925-T928 PolarHBondContact O-OG1 3.12Å; V925-E929 PolarHBondContact O-N 3.4Å |
| 926 | E | 48.1 | Very low | 50.2 | Low | 146 Ų | 146 | 113.9 Ų | 113.9 | 68% | 0.682 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.3 | -28.9 | 176 | -72.3 | -173.8 | 168.9 | 0 | 0 | 113.1 | V922 | V922-E926 PolarHBondContact O-N 3.4Å |
| 927 | T | 48 | Very low | 49.1 | Very low | 84 Ų | 84 | 114.9 Ų | 114.9 | 52% | 0.515 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -80.2 | -21.4 | 176.6 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | T923 K924 V925 S930 | T923-T927 PolarHBondContact O-OG1 3.29Å; K924-T927 WeakPolarHBondContact CA-OG1 3.22Å; K924-T927 PolarHBondContact O-N 3.1Å; K924-T927 PolarHBondContact O-OG1 3.31Å; V925-T927 PolarHBondContact O-N 3.44Å; T927-S930 PolarHBondContact O-OG 3.5Å; T927-S930 VanDerWaalsContact O-OG 3.11Å |
| 928 | T | 46.6 | Very low | 48.2 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 53% | 0.528 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -88.8 | -26.8 | 179.1 | 50.4 | 0 | 0 | 0 | 0 | 114.7 | K924 V925 S930 L931 | K924-T928 PolarHBondContact O-N 3.28Å; K924-T928 PolarHBondContact O-OG1 3.49Å; V925-T928 PolarHBondContact O-N 3.3Å; V925-T928 VanDerWaalsContact O-N 3.12Å; V925-T928 PolarHBondContact O-OG1 3.12Å; T928-S930 VanDerWaalsContact C-N 3.26Å; T928-S930 PolarHBondContact O-N 3.14Å; T928-L931 PolarHBondContact O-N 3.31Å |
| 929 | E | 44.1 | Very low | 47.5 | Very low | 155 Ų | 155 | 114.9 Ų | 114.9 | 72% | 0.724 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.5 | -19.2 | 173.7 | -77.2 | -171.5 | 163.3 | 0 | 0 | 113.1 | V925 L931 | V925-E929 PolarHBondContact O-N 3.4Å; E929-L931 VanDerWaalsContact C-N 3.28Å; E929-L931 PolarHBondContact O-N 2.9Å |
| 930 | S | 49.2 | Very low | 47.1 | Very low | 85 Ų | 85 | 113.3 Ų | 113.3 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -3.4 | 171.4 | 67.6 | 0 | 0 | 0 | 0 | 114.9 | T927 T928 | T927-S930 PolarHBondContact O-OG 3.5Å; T927-S930 VanDerWaalsContact O-OG 3.11Å; T928-S930 VanDerWaalsContact C-N 3.26Å; T928-S930 PolarHBondContact O-N 3.14Å |
| 931 | L | 42.8 | Very low | 46.5 | Very low | 144 Ų | 144 | 116.2 Ų | 116.2 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 5.1 | 179.8 | -82.2 | 166.9 | 0 | 0 | 0 | 114.5 | T928 E929 | T928-L931 PolarHBondContact O-N 3.31Å; E929-L931 VanDerWaalsContact C-N 3.28Å; E929-L931 PolarHBondContact O-N 2.9Å |
| 932 | L | 38.5 | Very low | 46.1 | Very low | 170 Ų | 170 | 119.2 Ų | 119.2 | 89% | 0.89 | 67% | 0.666 | S | S | * | * | trans | -127.3 | 14.1 | 173.6 | -85.3 | 163.3 | 0 | 0 | 0 | 114.6 | ||||
| 933 | S | 35.9 | Very low | 45.6 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 100% | 1.133 | 68% | 0.677 | S | S | * | * | trans | -112 | 0 | 153.6 | -178.6 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 933 of 933 residues in 763.1 ms
(Link to these results)