| 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 | 30.8 | Very low | 33 | Very low | 241 Ų | 241 | 179.3 Ų | 179.3 | 100% | 1.187 | 85% | 0.848 | S | S | * | * | 0 | 122.1 | 0 | -63 | -150.5 | 140.3 | 0 | 0 | 105.7 | |||||
| 2 | S | 35.4 | Very low | 33.1 | Very low | 106 Ų | 106 | 174.3 Ų | 174.3 | 74% | 0.741 | 84% | 0.842 | S | S | * | * | cis | -155.3 | 165.4 | 17.5 | -46 | 0 | 0 | 0 | 0 | 104 | ||||
| 3 | D | 37.3 | Very low | 32.8 | Very low | 153 Ų | 153 | 180.2 Ų | 180.2 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | cis | -166.7 | 127 | 42.4 | -126.9 | -30.7 | 0 | 0 | 0 | 106.8 | ||||
| 4 | H | 31 | Very low | 32.9 | Very low | 192 Ų | 192 | 184.6 Ų | 184.6 | 89% | 0.889 | 85% | 0.854 | S | S | * | * | trans | -112.1 | 110 | 168 | -82.2 | -64 | 0 | 0 | 0 | 107.1 | ||||
| 5 | R | 34.4 | Very low | 32.9 | Very low | 225 Ų | 225 | 186.5 Ų | 186.5 | 85% | 0.849 | 86% | 0.859 | S | S | * | * | trans | -161.5 | 140.6 | 155.3 | -109.6 | 174.4 | -146.7 | -132.9 | 7.7 | 112 | ||||
| 6 | E | 33.7 | Very low | 32.9 | Very low | 153 Ų | 153 | 183.5 Ų | 183.5 | 72% | 0.715 | 86% | 0.859 | S | S | * | * | trans | 86.2 | 98.5 | 155.7 | -66.3 | 170.9 | -169 | 0 | 0 | 119 | ||||
| 7 | N | 35.5 | Very low | 32.8 | Very low | 146 Ų | 146 | 177.8 Ų | 177.8 | 78% | 0.781 | 85% | 0.85 | S | S | * | * | 168.2 | 91.6 | 104.4 | -83.6 | -49.4 | 0 | 0 | 0 | 111.6 | |||||
| 8 | F | 30.1 | Very low | 32.5 | Very low | 202 Ų | 202 | 180.5 Ų | 180.5 | 89% | 0.886 | 85% | 0.852 | S | S | * | * | trans | -128.5 | 70.5 | 171.8 | -82.4 | -79.6 | 0 | 0 | 0 | 111.6 | ||||
| 9 | F | 31.4 | Very low | 32.4 | Very low | 185 Ų | 185 | 179.5 Ų | 179.5 | 81% | 0.811 | 85% | 0.851 | S | S | * | * | trans | -144.1 | 80.7 | 161.3 | -76.5 | -73.7 | 0 | 0 | 0 | 110.7 | H11 | F9-H11 AromaticContact CD1-NE2 3.82Š| ||
| 10 | K | 32.2 | Very low | 32.3 | Very low | 209 Ų | 209 | 174.4 Ų | 174.4 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | -106.1 | 92.4 | 160.6 | -82.7 | -176.4 | 178 | 176.5 | 0 | 108.3 | ||||
| 11 | H | 31.5 | Very low | 32.1 | Very low | 160 Ų | 160 | 172 Ų | 172 | 74% | 0.741 | 84% | 0.842 | S | S | * | * | trans | -72.6 | 129 | 169.5 | -78.1 | -72 | 0 | 0 | 0 | 110.5 | F9 | F9-H11 AromaticContact CD1-NE2 3.82Š| ||
| 12 | P | 34.4 | Very low | 31.9 | Very low | 119 Ų | 119 | 171.1 Ų | 171.1 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -78 | 126.9 | 178.9 | -10.6 | 27 | 0 | 0 | 0 | 112 | R14 | P12-R14 PolarHBondContact O-N 3.44Š| ||
| 13 | R | 29.2 | Very low | 31.8 | Very low | 251 Ų | 251 | 177 Ų | 177 | 95% | 0.947 | 83% | 0.833 | S | S | * | * | trans | -63.5 | 113.4 | 169.9 | -76 | 176.7 | 164.7 | 164.8 | -4.8 | 110.5 | ||||
| 14 | R | 34.3 | Very low | 31.5 | Very low | 242 Ų | 242 | 178 Ų | 178 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | trans | -109.6 | 125.6 | 164.9 | -92.8 | -177.1 | 157.4 | 169.3 | -5.3 | 110.8 | P12 | P12-R14 PolarHBondContact O-N 3.44Š| ||
| 15 | K | 32.5 | Very low | 31.2 | Very low | 213 Ų | 213 | 177.4 Ų | 177.4 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | trans | -71.7 | 122.1 | -178.1 | -68.7 | 173.7 | 174.2 | 178.6 | 0 | 110.5 | A17 | K15-A17 PolarHBondContact O-N 2.96Š| ||
| 16 | T | 32.7 | Very low | 31 | Very low | 139 Ų | 139 | 176.5 Ų | 176.5 | 85% | 0.853 | 84% | 0.837 | S | S | * | * | trans | -81.4 | 99.7 | 167.8 | 37.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 17 | A | 31.7 | Very low | 30.9 | Very low | 87 Ų | 87 | 173.1 Ų | 173.1 | 72% | 0.719 | 84% | 0.835 | S | S | * | * | trans | -84.9 | 109.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | K15 I19 | K15-A17 PolarHBondContact O-N 2.96Å; A17-I19 PolarHBondContact O-N 2.95Å | ||
| 18 | Y | 26.6 | Very low | 30.7 | Very low | 226 Ų | 226 | 174.1 Ų | 174.1 | 89% | 0.886 | 84% | 0.841 | S | S | * | * | trans | -62.2 | 105.8 | 172.2 | -123.2 | -101.3 | 0 | 0 | 0 | 108.9 | ||||
| 19 | I | 30.6 | Very low | 30.6 | Very low | 162 Ų | 162 | 169.6 Ų | 169.6 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | trans | -107.9 | 102.2 | 165.3 | -62.3 | 179.1 | 0 | 0 | 0 | 106.5 | A17 | A17-I19 PolarHBondContact O-N 2.95Š| ||
| 20 | A | 30 | Very low | 30.4 | Very low | 77 Ų | 77 | 167.2 Ų | 167.2 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | trans | -65.5 | 134.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | R22 | A20-R22 PolarHBondContact O-N 3.35Š| ||
| 21 | S | 29.8 | Very low | 30.3 | Very low | 124 Ų | 124 | 166.7 Ų | 166.7 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -12.9 | 112.7 | 161.1 | -47.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 22 | R | 25.6 | Very low | 29.9 | Very low | 222 Ų | 222 | 169 Ų | 169 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | trans | -121.1 | 147.7 | 147.4 | -72.9 | -170.9 | -178.8 | -177.4 | 1.3 | 107.3 | A20 | A20-R22 PolarHBondContact O-N 3.35Š| ||
| 23 | Y | 34.3 | Very low | 29.6 | Very low | 231 Ų | 231 | 169.4 Ų | 169.4 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | trans | 96 | 53 | -179 | -50.2 | -71.3 | 0 | 0 | 0 | 116.4 | ||||
| 24 | L | 29.4 | Very low | 29.3 | Very low | 173 Ų | 173 | 161.8 Ų | 161.8 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -107.8 | 101.7 | 138.6 | -89.3 | 166.2 | 0 | 0 | 0 | 106.9 | ||||
| 25 | E | 26 | Very low | 28.9 | Very low | 179 Ų | 179 | 155.8 Ų | 155.8 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | 172.3 | 109.2 | 148.3 | -104.4 | -175.6 | 169.2 | 0 | 0 | 111.3 | ||||
| 26 | K | 29 | Very low | 28.5 | Very low | 207 Ų | 207 | 150.5 Ų | 150.5 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | 175.6 | 135 | 114.2 | -93.5 | 171.2 | -176.8 | -179.8 | 0 | 112.2 | |||||
| 27 | A | 31.7 | Very low | 28 | Very low | 82 Ų | 82 | 150 Ų | 150 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | -89.1 | 153.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 28 | N | 31.7 | Very low | 27.7 | Very low | 167 Ų | 167 | 156.6 Ų | 156.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -158.9 | 96.8 | 156.5 | -85.4 | -30.1 | 0 | 0 | 0 | 106.5 | ||||
| 29 | T | 27.1 | Very low | 27.5 | Very low | 106 Ų | 106 | 154 Ų | 154 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | 70 | 96.2 | 69.4 | -41.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 30 | I | 27.7 | Very low | 27.3 | Very low | 135 Ų | 135 | 156.2 Ų | 156.2 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | trans | 57.1 | 116.4 | 136.9 | -50.9 | 168.9 | 0 | 0 | 0 | 118.8 | R32 | I30-R32 HydrophobicContact CG2-CB 4.4Š| ||
| 31 | H | 30.1 | Very low | 27.5 | Very low | 198 Ų | 198 | 157.3 Ų | 157.3 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -131.1 | 111.7 | 135.7 | -105.8 | -78.6 | 0 | 0 | 0 | 111.7 | ||||
| 32 | R | 22.8 | Very low | 27.2 | Very low | 210 Ų | 210 | 158.7 Ų | 158.7 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -78.8 | 139.7 | 169.5 | -172.1 | -174.9 | -157.8 | 176.9 | 5 | 108.1 | I30 | I30-R32 HydrophobicContact CG2-CB 4.4Š| ||
| 33 | S | 29 | Very low | 27.3 | Very low | 126 Ų | 126 | 156 Ų | 156 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -144.9 | 118.4 | 153.1 | -77.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 34 | A | 21.8 | Very low | 26.8 | Very low | 92 Ų | 92 | 153.5 Ų | 153.5 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -113 | 139.4 | 179 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 35 | S | 26.8 | Very low | 26.6 | Very low | 115 Ų | 115 | 156.2 Ų | 156.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -166.9 | 100.4 | 158 | 179.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 36 | S | 23.2 | Very low | 26.4 | Very low | 102 Ų | 102 | 155.7 Ų | 155.7 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | 57.4 | 98.6 | 96.9 | -160.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 37 | V | 22.5 | Very low | 26.2 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | 50.6 | 106.6 | 70 | -173.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 38 | R | 26.2 | Very low | 26 | Very low | 227 Ų | 227 | 153.3 Ų | 153.3 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -174.4 | 93.5 | 139.3 | -155.7 | 169.4 | -177.9 | -166.9 | -0.1 | 109.2 | ||||
| 39 | E | 22.7 | Very low | 25.8 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | 60.4 | 112.8 | 105.5 | -70.4 | -173.5 | 166.3 | 0 | 0 | 117.1 | |||||
| 40 | K | 25.8 | Very low | 25.8 | Very low | 209 Ų | 209 | 153.5 Ų | 153.5 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | -164 | 155.5 | 128.8 | -111.2 | 178.1 | 178.8 | -179.6 | 0 | 111.9 | |||||
| 41 | P | 34.3 | Very low | 26.2 | Very low | 101 Ų | 101 | 152.9 Ų | 152.9 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | trans | -111.5 | 165.7 | -156.1 | 43.2 | -35.3 | 0 | 0 | 0 | 115 | ||||
| 42 | I | 23.9 | Very low | 26.2 | Very low | 152 Ų | 152 | 153 Ų | 153 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | 58.5 | 106.2 | 154.7 | -50.7 | 144 | 0 | 0 | 0 | 117.7 | ||||
| 43 | N | 27.1 | Very low | 26.6 | Very low | 165 Ų | 165 | 154.4 Ų | 154.4 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -153.6 | 141.7 | 138.3 | -107.5 | -21.9 | 0 | 0 | 0 | 110.9 | ||||
| 44 | E | 23.7 | Very low | 26.6 | Very low | 180 Ų | 180 | 157.5 Ų | 157.5 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -67.1 | 131.3 | -177.7 | -64.8 | 172.2 | 134 | 0 | 0 | 113.2 | ||||
| 45 | R | 25 | Very low | 26.9 | Very low | 229 Ų | 229 | 158.5 Ų | 158.5 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | 164.8 | 119.5 | 122.3 | -94 | 179.9 | 177.3 | 176.9 | -0.5 | 111.4 | |||||
| 46 | Q | 23.4 | Very low | 27.2 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 23.7 | 105.5 | 133.4 | -63.8 | 177.1 | -15.7 | 0 | 0 | 117.8 | ||||
| 47 | N | 24.8 | Very low | 27.6 | Very low | 145 Ų | 145 | 158.2 Ų | 158.2 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | 173.9 | 138.8 | 99.2 | -91.5 | -19.1 | 0 | 0 | 0 | 112.9 | |||||
| 48 | S | 25.7 | Very low | 28 | Very low | 95 Ų | 95 | 162 Ų | 162 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | trans | 56.7 | 100 | 152 | 56.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 49 | S | 27.4 | Very low | 28.5 | Very low | 114 Ų | 114 | 159.8 Ų | 159.8 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | 48.2 | 79.2 | 123.9 | 66.4 | 0 | 0 | 0 | 0 | 118 | |||||
| 50 | I | 29 | Very low | 28.7 | Very low | 162 Ų | 162 | 155.1 Ų | 155.1 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -110.4 | 93.3 | 154.8 | -62.3 | 177.1 | 0 | 0 | 0 | 108.3 | K52 | I50-K52 PolarHBondContact O-N 3.1Š| ||
| 51 | V | 34.6 | Very low | 28.9 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | 16.3 | 94.9 | 139.2 | -173.1 | 0 | 0 | 0 | 0 | 113.8 | R53 | V51-R53 PolarHBondContact O-N 2.69Š| ||
| 52 | K | 31.5 | Very low | 28.8 | Very low | 200 Ų | 200 | 150.9 Ų | 150.9 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -58.3 | 104.9 | 163.8 | -88.7 | 175.4 | 174 | 174 | 0 | 108.4 | I50 Q54 | I50-K52 PolarHBondContact O-N 3.1Å; K52-Q54 PolarHBondContact O-N 3.11Å | ||
| 53 | R | 29.8 | Very low | 29.5 | Very low | 241 Ų | 241 | 150.2 Ų | 150.2 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -56.6 | 105.8 | 167.7 | -68.4 | -178 | 172.7 | -166.7 | -3.3 | 108.6 | V51 S55 | V51-R53 PolarHBondContact O-N 2.69Å; R53-S55 PolarHBondContact O-N 2.88Å | ||
| 54 | Q | 29.6 | Very low | 29.8 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 116.8 | 168.3 | -74.1 | -173.6 | -43.4 | 0 | 0 | 108.3 | K52 | K52-Q54 PolarHBondContact O-N 3.11Š|
| 55 | S | 29.1 | Very low | 30.2 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 140 | 168.4 | 44 | 0 | 0 | 0 | 0 | 111.4 | R53 | R53-S55 PolarHBondContact O-N 2.88Š|
| 56 | S | 32.8 | Very low | 30.6 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 147.6 | 179.5 | -47.3 | 0 | 0 | 0 | 0 | 113.7 | K58 | S56-K58 PolarHBondContact O-N 3.48Š|
| 57 | P | 30.9 | Very low | 31 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 126.7 | -174.9 | -5.9 | 22.3 | 0 | 0 | 0 | 110.7 | F59 | P57-F59 HydrophobicContact CB-CE2 4.38Å; P57-F59 PolarHBondContact O-N 3.26Å; P57-F59 VanDerWaalsContact O-N 3.13Å |
| 58 | K | 30.6 | Very low | 31.4 | Very low | 208 Ų | 208 | 142 Ų | 142 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | -66.5 | 104.3 | 164.1 | -75.9 | 174.4 | 175.4 | 174.1 | 0 | 108.2 | S56 G60 | S56-K58 PolarHBondContact O-N 3.48Å; K58-G60 PolarHBondContact O-N 2.88Å | ||
| 59 | F | 35.9 | Very low | 31.8 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 79% | 0.789 | 78% | 0.781 | S | S | * | * | trans | -74.2 | 72.3 | 166.2 | -80.1 | -85.8 | 0 | 0 | 0 | 109.9 | P57 V61 | P57-F59 HydrophobicContact CB-CE2 4.38Å; P57-F59 PolarHBondContact O-N 3.26Å; P57-F59 VanDerWaalsContact O-N 3.13Å; F59-V61 HydrophobicContact CD1-CG2 4Å | ||
| 60 | G | 26.8 | Very low | 32.3 | Very low | 72 Ų | 72 | 145 Ų | 145 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -94.8 | 77.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | K58 | K58-G60 PolarHBondContact O-N 2.88Š| ||
| 61 | V | 31.9 | Very low | 32.7 | Very low | 88 Ų | 88 | 142.9 Ų | 142.9 | 53% | 0.533 | 77% | 0.768 | S | S | . | * | trans | -107.7 | 105.2 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | F59 V63 | F59-V61 HydrophobicContact CD1-CG2 4Å; V61-V63 PolarHBondContact O-N 3.39Å; V61-V63 VanDerWaalsContact O-N 3.17Å | ||
| 62 | N | 30.2 | Very low | 33.2 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -50.1 | 119.4 | 166.5 | -73.6 | -22 | 0 | 0 | 0 | 108.6 | S64 N65 | N62-S64 PolarHBondContact O-N 3.07Å; N62-N65 PolarHBondContact O-N 2.74Å | ||
| 63 | V | 38.8 | Very low | 33.7 | Very low | 139 Ų | 139 | 137 Ų | 137 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -56.8 | -12.9 | -173.8 | -178.4 | 0 | 0 | 0 | 0 | 113.1 | V61 N65 | V61-V63 PolarHBondContact O-N 3.39Å; V61-V63 VanDerWaalsContact O-N 3.17Å; V63-N65 PolarHBondContact O-N 3.44Å |
| 64 | S | 34.3 | Very low | 34.3 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -77.9 | -13 | -179.8 | 11.1 | 0 | 0 | 0 | 0 | 115.5 | N62 | N62-S64 PolarHBondContact O-N 3.07Š|
| 65 | N | 31.5 | Very low | 34.8 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -126 | 22.4 | -177.7 | -73.7 | -11.3 | 0 | 0 | 0 | 114.5 | N62 V63 R67 | N62-N65 PolarHBondContact O-N 2.74Å; V63-N65 PolarHBondContact O-N 3.44Å; N65-R67 PolarHBondContact O-N 3.09Å |
| 66 | A | 34.6 | Very low | 35.4 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 65% | 0.653 | 72% | 0.724 | S | S | * | * | trans | -68.8 | 73.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L68 | A66-L68 PolarHBondContact O-N 3.45Š| ||
| 67 | R | 30.8 | Very low | 35.5 | Very low | 228 Ų | 228 | 124.8 Ų | 124.8 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | trans | -74.7 | 110.2 | 171.8 | -163.7 | 173.8 | -173.2 | 177.6 | 0.7 | 106.7 | N65 V69 | N65-R67 PolarHBondContact O-N 3.09Å; R67-V69 PolarHBondContact O-N 2.86Å | ||
| 68 | L | 33.7 | Very low | 35.7 | Very low | 160 Ų | 160 | 127 Ų | 127 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -53.6 | 104.8 | 168.9 | -80.7 | 155.4 | 0 | 0 | 0 | 108.5 | A66 | A66-L68 PolarHBondContact O-N 3.45Š| ||
| 69 | V | 34.4 | Very low | 35.9 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | trans | -92.9 | 101 | 165.4 | -179.7 | 0 | 0 | 0 | 0 | 105.4 | R67 D71 | R67-V69 PolarHBondContact O-N 2.86Å; V69-D71 PolarHBondContact O-N 2.87Å | ||
| 70 | I | 37.8 | Very low | 35.9 | Very low | 144 Ų | 144 | 121.5 Ų | 121.5 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | trans | -82.5 | 109.1 | 170.4 | -59.4 | 172.5 | 0 | 0 | 0 | 105.3 | D72 | I70-D72 PolarHBondContact O-N 3.42Å; I70-D72 VanDerWaalsContact O-N 3.15Å | ||
| 71 | D | 36.2 | Very low | 36.2 | Very low | 117 Ų | 117 | 127 Ų | 127 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | trans | -73.3 | 98.2 | 173.9 | -165.6 | -12.8 | 0 | 0 | 0 | 108 | V69 S73 | V69-D71 PolarHBondContact O-N 2.87Å; D71-S73 PolarHBondContact O-N 2.98Å; D71-S73 VanDerWaalsContact OD1-CB 3.3Å; D71-S73 WeakPolarHBondContact OD1-CB 3.39Å; D71-S73 PolarHBondContact OD1-N 3.45Å; D71-S73 PolarHBondContact OD1-OG 3.2Å | ||
| 72 | D | 46 | Very low | 36.2 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -83.4 | 4.8 | -176.9 | 77.3 | -9.6 | 0 | 0 | 0 | 113.3 | I70 I74 A75 | I70-D72 PolarHBondContact O-N 3.42Å; I70-D72 VanDerWaalsContact O-N 3.15Å; D72-I74 PolarHBondContact O-N 2.75Å; D72-A75 WeakPolarHBondContact O-CB 3.48Å; D72-A75 PolarHBondContact O-N 3.02Å |
| 73 | S | 41.4 | Very low | 36.2 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 57% | 0.566 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -56.5 | -22.4 | -176.5 | -57.1 | 0 | 0 | 0 | 0 | 113.7 | D71 | D71-S73 PolarHBondContact O-N 2.98Å; D71-S73 VanDerWaalsContact OD1-CB 3.3Å; D71-S73 WeakPolarHBondContact OD1-CB 3.39Å; D71-S73 PolarHBondContact OD1-N 3.45Å; D71-S73 PolarHBondContact OD1-OG 3.2Å |
| 74 | I | 44 | Very low | 35.7 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -78 | -25.6 | 179.2 | -48.4 | 176.5 | 0 | 0 | 0 | 111.7 | D72 S76 A77 | D72-I74 PolarHBondContact O-N 2.75Å; I74-S76 VanDerWaalsContact C-N 3.27Å; I74-S76 PolarHBondContact O-N 2.83Å; I74-A77 PolarHBondContact O-N 2.92Å |
| 75 | A | 40 | Very low | 35.4 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 63% | 0.628 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -70.5 | -22.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D72 | D72-A75 WeakPolarHBondContact O-CB 3.48Å; D72-A75 PolarHBondContact O-N 3.02Å |
| 76 | S | 41.6 | Very low | 35.2 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -83.6 | -9 | 178.9 | -60.4 | 0 | 0 | 0 | 0 | 114.2 | I74 | I74-S76 VanDerWaalsContact C-N 3.27Å; I74-S76 PolarHBondContact O-N 2.83Å |
| 77 | A | 34.5 | Very low | 34.8 | Very low | 75 Ų | 75 | 132.9 Ų | 132.9 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -84.1 | -7.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I74 H79 | I74-A77 PolarHBondContact O-N 2.92Å; A77-H79 PolarHBondContact O-N 3.33Å; A77-H79 VanDerWaalsContact O-N 3.09Å |
| 78 | I | 35.2 | Very low | 34.8 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | -86 | 87.4 | 178.5 | -53.1 | 177.1 | 0 | 0 | 0 | 108 | S80 | I78-S80 PolarHBondContact O-N 2.8Å; I78-S80 VanDerWaalsContact O-N 3.14Å | ||
| 79 | H | 34.1 | Very low | 34.5 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | trans | -56.7 | 115.6 | 168.5 | -87.2 | 45.8 | 0 | 0 | 0 | 109.5 | A77 H81 | A77-H79 PolarHBondContact O-N 3.33Å; A77-H79 VanDerWaalsContact O-N 3.09Å; H79-H81 PolarHBondContact O-N 3.2Å | ||
| 80 | S | 37.3 | Very low | 34.3 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -63.4 | 99.1 | 169.6 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | I78 D82 | I78-S80 PolarHBondContact O-N 2.8Å; I78-S80 VanDerWaalsContact O-N 3.14Å; S80-D82 PolarHBondContact O-N 3.46Å | ||
| 81 | H | 33 | Very low | 33.9 | Very low | 186 Ų | 186 | 125.8 Ų | 125.8 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | trans | -79.5 | 99.2 | 167.1 | -130.1 | -65.3 | 0 | 0 | 0 | 108 | H79 N83 | H79-H81 PolarHBondContact O-N 3.2Å; H81-N83 PolarHBondContact O-N 2.88Å | ||
| 82 | D | 31.3 | Very low | 33.7 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | -48.8 | 124.3 | 161.7 | -76.1 | -42.5 | 0 | 0 | 0 | 110.1 | S80 | S80-D82 PolarHBondContact O-N 3.46Š| ||
| 83 | N | 30.1 | Very low | 32.9 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | -170.4 | 128.4 | 128.9 | -108.5 | -8.4 | 0 | 0 | 0 | 113.8 | H81 | H81-N83 PolarHBondContact O-N 2.88Š| |||
| 84 | M | 28.8 | Very low | 32.3 | Very low | 183 Ų | 183 | 129.7 Ų | 129.7 | 90% | 0.901 | 75% | 0.754 | S | S | * | * | trans | 72.2 | 107.4 | 150.3 | -79.4 | -75.9 | -176.2 | 0 | 0 | 119.2 | ||||
| 85 | G | 26.6 | Very low | 31.6 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | trans | 131.3 | 78.9 | 134.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 86 | H | 27 | Very low | 31 | Very low | 206 Ų | 206 | 126.4 Ų | 126.4 | 95% | 0.954 | 75% | 0.747 | S | S | * | * | trans | 30 | 93.1 | 149.3 | -68.7 | -71.8 | 0 | 0 | 0 | 118 | ||||
| 87 | G | 27.5 | Very low | 30.3 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -159.3 | 92.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 88 | S | 30.1 | Very low | 30 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | trans | 41.1 | 102.1 | 155.9 | 171.6 | 0 | 0 | 0 | 0 | 115.5 | I90 | S88-I90 PolarHBondContact O-N 2.82Š| ||
| 89 | V | 27.4 | Very low | 29.7 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | -50.1 | 89.3 | 157.9 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | E91 | V89-E91 HydrophobicContact CG1-CG 3.82Å; V89-E91 PolarHBondContact O-N 3.5Å; V89-E91 VanDerWaalsContact O-N 3.09Å | ||
| 90 | I | 31.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | trans | -78.8 | 91.4 | 160.2 | -59 | 178.4 | 0 | 0 | 0 | 102.1 | S88 H92 | S88-I90 PolarHBondContact O-N 2.82Å; I90-H92 PolarHBondContact O-N 2.76Å | ||
| 91 | E | 28.8 | Very low | 29.5 | Very low | 163 Ų | 163 | 128 Ų | 128 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | -48 | 103.2 | 159 | -67.5 | 179 | 171.5 | 0 | 0 | 105.7 | V89 S93 | V89-E91 HydrophobicContact CG1-CG 3.82Å; V89-E91 PolarHBondContact O-N 3.5Å; V89-E91 VanDerWaalsContact O-N 3.09Å; E91-S93 PolarHBondContact O-N 2.9Å | ||
| 92 | H | 31.8 | Very low | 29.7 | Very low | 171 Ų | 171 | 122.1 Ų | 122.1 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | trans | -65.9 | 78.1 | 157.5 | -70.7 | -73.9 | 0 | 0 | 0 | 104.6 | I90 S94 | I90-H92 PolarHBondContact O-N 2.76Å; H92-S94 PolarHBondContact O-N 2.88Å | ||
| 93 | S | 28.2 | Very low | 29.9 | Very low | 103 Ų | 103 | 119.8 Ų | 119.8 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | trans | -47.9 | 115.4 | 162.8 | -175.1 | 0 | 0 | 0 | 0 | 103.9 | E91 G95 | E91-S93 PolarHBondContact O-N 2.9Å; S93-G95 PolarHBondContact O-N 3.3Å | ||
| 94 | S | 30.5 | Very low | 30.4 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | trans | -60.7 | 66.4 | 162.7 | -57.4 | 0 | 0 | 0 | 0 | 106.9 | H92 S96 | H92-S94 PolarHBondContact O-N 2.88Å; S94-S96 PolarHBondContact O-N 3.41Å | ||
| 95 | G | 27.7 | Very low | 30.9 | Very low | 52 Ų | 52 | 119 Ų | 119 | 54% | 0.536 | 69% | 0.691 | S | S | . | * | trans | -67.3 | 89.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 103.7 | S93 L97 | S93-G95 PolarHBondContact O-N 3.3Å; G95-L97 PolarHBondContact O-N 3.18Å | ||
| 96 | S | 27.2 | Very low | 31.3 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | trans | -43.1 | 101.5 | 156.3 | -177.9 | 0 | 0 | 0 | 0 | 105.4 | S94 T98 | S94-S96 PolarHBondContact O-N 3.41Å; S96-T98 PolarHBondContact O-N 2.85Å | ||
| 97 | L | 28.1 | Very low | 32.1 | Very low | 160 Ų | 160 | 117.8 Ų | 117.8 | 84% | 0.838 | 67% | 0.671 | S | S | * | * | trans | -66 | 84 | 167 | -81.4 | 165 | 0 | 0 | 0 | 104 | G95 L99 | G95-L97 PolarHBondContact O-N 3.18Å; L97-L99 PolarHBondContact O-N 2.87Å | ||
| 98 | T | 26.9 | Very low | 32.9 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | trans | -58.3 | 94.8 | 157.2 | 42.3 | 0 | 0 | 0 | 0 | 104.3 | S96 D100 | S96-T98 PolarHBondContact O-N 2.85Å; T98-D100 PolarHBondContact O-N 3.21Å | ||
| 99 | L | 30.3 | Very low | 33.4 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 76% | 0.764 | 66% | 0.661 | S | S | * | * | trans | -61.2 | 76.8 | 163.7 | -102.9 | 137.8 | 0 | 0 | 0 | 105.8 | L97 N101 | L97-L99 PolarHBondContact O-N 2.87Å; L99-N101 PolarHBondContact O-N 3.27Å; L99-N101 VanDerWaalsContact O-N 3.1Å | ||
| 100 | D | 31.3 | Very low | 34.4 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 66% | 0.658 | 65% | 0.654 | S | S | * | * | trans | -56 | 120.8 | 167.2 | -84 | -27 | 0 | 0 | 0 | 106.1 | T98 P102 | T98-D100 PolarHBondContact O-N 3.21Å; D100-P102 WeakPolarHBondContact O-CD 3.25Å | ||
| 101 | N | 35.9 | Very low | 35.4 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 55% | 0.551 | 65% | 0.652 | S | S | * | * | trans | -36.8 | 105 | -167.4 | -165.6 | -7.9 | 0 | 0 | 0 | 111.3 | L99 V103 K104 | L99-N101 PolarHBondContact O-N 3.27Å; L99-N101 VanDerWaalsContact O-N 3.1Å; N101-V103 PolarHBondContact O-N 3.32Å; N101-K104 PolarHBondContact O-N 3.17Å | ||
| 102 | P | 36.5 | Very low | 36.6 | Very low | 62 Ų | 62 | 117.7 Ų | 117.7 | 40% | 0.403 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -58.7 | -25.6 | -170.2 | 19.2 | -31 | 0 | 0 | 0 | 111.7 | D100 K104 K105 F106 | D100-P102 WeakPolarHBondContact O-CD 3.25Å; P102-K104 PolarHBondContact O-N 3.34Å; P102-K105 PolarHBondContact O-N 3.43Å; P102-F106 HydrophobicContact CB-CD2 4.34Å; P102-F106 HydrophobicContact CB-CE2 4.45Å; P102-F106 VanDerWaalsContact O-CD2 3.28Å; P102-F106 WeakPolarHBondContact O-CD2 3.25Å; P102-F106 PolarHBondContact O-N 3.39Å |
| 103 | V | 36.1 | Very low | 37.4 | Very low | 87 Ų | 87 | 111.1 Ų | 111.1 | 53% | 0.527 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -56.1 | -33.9 | 176.3 | -175 | 0 | 0 | 0 | 0 | 112.8 | N101 N107 | N101-V103 PolarHBondContact O-N 3.32Å; V103-N107 PolarHBondContact O-N 2.89Å; V103-N107 PolarHBondContact O-ND2 3.47Å; V103-N107 PolarHBondContact O-OD1 2.95Å |
| 104 | K | 40.6 | Very low | 38.4 | Very low | 164 Ų | 164 | 108.7 Ų | 108.7 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.3 | -38.9 | 178.5 | -85.6 | -171.8 | 175 | -175.4 | 0 | 112.7 | N101 P102 | N101-K104 PolarHBondContact O-N 3.17Å; P102-K104 PolarHBondContact O-N 3.34Å |
| 105 | K | 39.3 | Very low | 39.9 | Very low | 155 Ų | 155 | 106.1 Ų | 106.1 | 67% | 0.674 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.6 | -30.3 | 177.3 | -76.8 | -170.8 | -179.3 | -176.9 | 0 | 112.7 | P102 N107 L109 | P102-K105 PolarHBondContact O-N 3.43Å; K105-N107 VanDerWaalsContact C-N 3.3Å; K105-N107 PolarHBondContact O-N 2.97Å; K105-L109 WeakPolarHBondContact O-CD1 3.41Å |
| 106 | F | 35.1 | Very low | 41.8 | Very low | 113 Ų | 113 | 108.6 Ų | 108.6 | 50% | 0.496 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.3 | -26.3 | 176.8 | -91.2 | -75.2 | 0 | 0 | 0 | 113.7 | P102 L114 | P102-F106 HydrophobicContact CB-CD2 4.34Å; P102-F106 HydrophobicContact CB-CE2 4.45Å; P102-F106 VanDerWaalsContact O-CD2 3.28Å; P102-F106 WeakPolarHBondContact O-CD2 3.25Å; P102-F106 PolarHBondContact O-N 3.39Å; F106-L114 HydrophobicContact CD1-CD1 4.37Å |
| 107 | N | 44 | Very low | 43.8 | Very low | 132 Ų | 132 | 107.1 Ų | 107.1 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -17 | -179.1 | -69.9 | -11.3 | 0 | 0 | 0 | 114 | V103 K105 | V103-N107 PolarHBondContact O-N 2.89Å; V103-N107 PolarHBondContact O-ND2 3.47Å; V103-N107 PolarHBondContact O-OD1 2.95Å; K105-N107 VanDerWaalsContact C-N 3.3Å; K105-N107 PolarHBondContact O-N 2.97Å |
| 108 | E | 44.7 | Very low | 45.8 | Very low | 175 Ų | 175 | 102.9 Ų | 102.9 | 82% | 0.818 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -2.6 | -179.7 | -82.1 | 179.5 | 168.3 | 0 | 0 | 113.5 | ||
| 109 | L | 39 | Very low | 47.8 | Very low | 68 Ų | 68 | 102.7 Ų | 102.7 | 36% | 0.356 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -88.6 | 122.7 | -177.4 | -80.3 | 157.1 | 0 | 0 | 0 | 110.3 | K105 S113 L114 I117 | K105-L109 WeakPolarHBondContact O-CD1 3.41Å; L109-S113 WeakPolarHBondContact CB-OG 3.25Å; L109-S113 VanDerWaalsContact CD2-OG 3.29Å; L109-S113 WeakPolarHBondContact CD2-OG 3.19Å; L109-L114 HydrophobicContact CB-CD1 3.44Å; L109-L114 VanDerWaalsContact CB-CD1 3.44Å; L109-L114 HydrophobicContact CD1-CD1 4.3Å; L109-L114 HydrophobicContact CG-CD1 4.5Å; L109-I117 HydrophobicContact CD1-CD1 3.5Å; L109-I117 HydrophobicContact CD2-CD1 3.81Å; L109-I117 HydrophobicContact CG-CD1 4.21Å |
| 110 | D | 48.5 | Very low | 49.5 | Very low | 118 Ų | 118 | 98.3 Ų | 98.3 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | trans | -57.5 | 149.2 | 176.2 | -155.9 | -8.6 | 0 | 0 | 0 | 110.9 | D112 S113 L114 | D110-D112 PolarHBondContact O-N 2.92Å; D110-D112 VanDerWaalsContact O-N 3.14Å; D110-S113 PolarHBondContact N-OG 3.38Å; D110-S113 VanDerWaalsContact N-OG 3.09Å; D110-S113 WeakPolarHBondContact O-CA 3.37Å; D110-S113 WeakPolarHBondContact O-CB 3.25Å; D110-S113 PolarHBondContact O-N 3.47Å; D110-S113 PolarHBondContact O-OG 2.93Å; D110-L114 PolarHBondContact O-N 2.73Å | ||
| 111 | V | 53.6 | Low | 51.2 | Low | 97 Ų | 97 | 95.3 Ų | 95.3 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.7 | -36.4 | -172.2 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | L114 S115 | V111-L114 PolarHBondContact O-N 2.78Å; V111-S115 PolarHBondContact O-N 2.95Å; V111-S115 VanDerWaalsContact O-N 3.12Å |
| 112 | D | 53 | Low | 52.6 | Low | 121 Ų | 121 | 97.9 Ų | 97.9 | 65% | 0.647 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -40 | 175.1 | -70.2 | -20.2 | 0 | 0 | 0 | 111.9 | D110 L114 S115 D116 | D110-D112 PolarHBondContact O-N 2.92Å; D110-D112 VanDerWaalsContact O-N 3.14Å; D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 3.37Å; D112-S115 WeakPolarHBondContact O-CB 3.32Å; D112-S115 PolarHBondContact O-N 2.79Å; D112-D116 PolarHBondContact O-N 3.27Å |
| 113 | S | 49.3 | Very low | 53.9 | Low | 32 Ų | 32 | 98.2 Ų | 98.2 | 22% | 0.224 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -69.8 | -29.3 | 176.8 | 73.8 | 0 | 0 | 0 | 0 | 112.9 | L109 D110 D116 I117 | L109-S113 WeakPolarHBondContact CB-OG 3.25Å; L109-S113 VanDerWaalsContact CD2-OG 3.29Å; L109-S113 WeakPolarHBondContact CD2-OG 3.19Å; D110-S113 PolarHBondContact N-OG 3.38Å; D110-S113 VanDerWaalsContact N-OG 3.09Å; D110-S113 WeakPolarHBondContact O-CA 3.37Å; D110-S113 WeakPolarHBondContact O-CB 3.25Å; D110-S113 PolarHBondContact O-N 3.47Å; D110-S113 PolarHBondContact O-OG 2.93Å; S113-D116 PolarHBondContact O-N 2.97Å; S113-I117 WeakPolarHBondContact O-CB 3.22Å; S113-I117 WeakPolarHBondContact O-CD1 3.3Å; S113-I117 WeakPolarHBondContact O-CG1 3.22Å; S113-I117 PolarHBondContact O-N 3.18Å |
| 114 | L | 49 | Very low | 55.4 | Low | 53 Ų | 53 | 98.8 Ų | 98.8 | 28% | 0.277 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.1 | -39.2 | 173.7 | -121.8 | 81.2 | 0 | 0 | 0 | 111.8 | F106 L109 D110 V111 D112 D116 I117 S118 | F106-L114 HydrophobicContact CD1-CD1 4.37Å; L109-L114 HydrophobicContact CB-CD1 3.44Å; L109-L114 VanDerWaalsContact CB-CD1 3.44Å; L109-L114 HydrophobicContact CD1-CD1 4.3Å; L109-L114 HydrophobicContact CG-CD1 4.5Å; D110-L114 PolarHBondContact O-N 2.73Å; V111-L114 PolarHBondContact O-N 2.78Å; D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 3.37Å; L114-D116 VanDerWaalsContact C-N 3.33Å; L114-I117 PolarHBondContact O-N 3.24Å; L114-S118 VanDerWaalsContact O-CB 3.28Å; L114-S118 WeakPolarHBondContact O-CB 3.43Å; L114-S118 PolarHBondContact O-N 3.32Å; L114-S118 PolarHBondContact O-OG 3.28Å |
| 115 | S | 62.9 | Low | 56.8 | Low | 68 Ų | 68 | 95.3 Ų | 95.3 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 170.3 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | V111 D112 I117 S118 L119 | V111-S115 PolarHBondContact O-N 2.95Å; V111-S115 VanDerWaalsContact O-N 3.12Å; D112-S115 WeakPolarHBondContact O-CB 3.32Å; D112-S115 PolarHBondContact O-N 2.79Å; S115-I117 PolarHBondContact O-N 3.33Å; S115-S118 PolarHBondContact O-N 2.84Å; S115-S118 PolarHBondContact O-OG 2.96Å; S115-L119 VanDerWaalsContact O-CB 3.29Å; S115-L119 WeakPolarHBondContact O-CB 3.45Å; S115-L119 PolarHBondContact O-N 3.34Å |
| 116 | D | 67.4 | Low | 58 | Low | 103 Ų | 103 | 89.7 Ų | 89.7 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 177.3 | -73.7 | -15.8 | 0 | 0 | 0 | 113.1 | D112 S113 L114 L119 A120 | D112-D116 PolarHBondContact O-N 3.27Å; S113-D116 PolarHBondContact O-N 2.97Å; L114-D116 VanDerWaalsContact C-N 3.33Å; D116-L119 PolarHBondContact O-N 2.85Å; D116-A120 VanDerWaalsContact O-CB 3.24Å; D116-A120 WeakPolarHBondContact O-CB 3.45Å; D116-A120 PolarHBondContact O-N 2.88Å |
| 117 | I | 68.5 | Low | 59.5 | Low | 67 Ų | 67 | 88.1 Ų | 88.1 | 34% | 0.344 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 175.9 | -71.7 | 162 | 0 | 0 | 0 | 110.8 | L109 S113 L114 S115 L119 A120 A121 | L109-I117 HydrophobicContact CD1-CD1 3.5Å; L109-I117 HydrophobicContact CD2-CD1 3.81Å; L109-I117 HydrophobicContact CG-CD1 4.21Å; S113-I117 WeakPolarHBondContact O-CB 3.22Å; S113-I117 WeakPolarHBondContact O-CD1 3.3Å; S113-I117 WeakPolarHBondContact O-CG1 3.22Å; S113-I117 PolarHBondContact O-N 3.18Å; L114-I117 PolarHBondContact O-N 3.24Å; S115-I117 PolarHBondContact O-N 3.33Å; I117-L119 VanDerWaalsContact C-N 3.31Å; I117-L119 PolarHBondContact O-N 3.3Å; I117-A120 PolarHBondContact O-N 2.73Å; I117-A121 VanDerWaalsContact O-CB 3.29Å; I117-A121 WeakPolarHBondContact O-CB 3.34Å; I117-A121 PolarHBondContact O-N 3.09Å |
| 118 | S | 69.5 | Low | 60.7 | Low | 71 Ų | 71 | 87.3 Ų | 87.3 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 177.6 | 76.3 | 0 | 0 | 0 | 0 | 111.1 | L114 S115 Y122 | L114-S118 VanDerWaalsContact O-CB 3.28Å; L114-S118 WeakPolarHBondContact O-CB 3.43Å; L114-S118 PolarHBondContact O-N 3.32Å; L114-S118 PolarHBondContact O-OG 3.28Å; S115-S118 PolarHBondContact O-N 2.84Å; S115-S118 PolarHBondContact O-OG 2.96Å; S118-Y122 VanDerWaalsContact O-CB 3.29Å; S118-Y122 WeakPolarHBondContact O-CB 3.45Å; S118-Y122 PolarHBondContact O-N 3.09Å |
| 119 | L | 69.7 | Low | 62 | Low | 99 Ų | 99 | 82 Ų | 82 | 52% | 0.518 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 175.4 | -176.6 | 63 | 0 | 0 | 0 | 111.4 | S115 D116 I117 Y122 T123 | S115-L119 VanDerWaalsContact O-CB 3.29Å; S115-L119 WeakPolarHBondContact O-CB 3.45Å; S115-L119 PolarHBondContact O-N 3.34Å; D116-L119 PolarHBondContact O-N 2.85Å; I117-L119 VanDerWaalsContact C-N 3.31Å; I117-L119 PolarHBondContact O-N 3.3Å; L119-Y122 PolarHBondContact O-N 3.36Å; L119-T123 VanDerWaalsContact O-CB 3.32Å; L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 PolarHBondContact O-N 3.33Å; L119-T123 PolarHBondContact O-OG1 2.86Å |
| 120 | A | 65.3 | Low | 63.5 | Low | 53 Ų | 53 | 87 Ų | 87 | 44% | 0.438 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D116 I117 Y122 T123 V124 | D116-A120 VanDerWaalsContact O-CB 3.24Å; D116-A120 WeakPolarHBondContact O-CB 3.45Å; D116-A120 PolarHBondContact O-N 2.88Å; I117-A120 PolarHBondContact O-N 2.73Å; A120-Y122 PolarHBondContact O-N 3.36Å; A120-T123 PolarHBondContact O-N 3.31Å; A120-V124 WeakPolarHBondContact O-CG2 3.23Å; A120-V124 PolarHBondContact O-N 3.31Å |
| 121 | A | 67.5 | Low | 64.5 | Low | 60 Ų | 60 | 89.5 Ų | 89.5 | 50% | 0.496 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I117 T123 V124 W125 | I117-A121 VanDerWaalsContact O-CB 3.29Å; I117-A121 WeakPolarHBondContact O-CB 3.34Å; I117-A121 PolarHBondContact O-N 3.09Å; A121-T123 VanDerWaalsContact C-N 3.32Å; A121-T123 PolarHBondContact O-N 2.95Å; A121-V124 PolarHBondContact O-N 2.91Å; A121-W125 VanDerWaalsContact O-CB 3.28Å; A121-W125 WeakPolarHBondContact O-CB 3.45Å; A121-W125 PolarHBondContact O-N 3.23Å |
| 122 | Y | 65.2 | Low | 65.4 | Low | 158 Ų | 158 | 87.2 Ų | 87.2 | 62% | 0.62 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 174.9 | -177.7 | -98.3 | 0 | 0 | 0 | 112.3 | S118 L119 A120 W125 T126 | S118-Y122 VanDerWaalsContact O-CB 3.29Å; S118-Y122 WeakPolarHBondContact O-CB 3.45Å; S118-Y122 PolarHBondContact O-N 3.09Å; L119-Y122 PolarHBondContact O-N 3.36Å; A120-Y122 PolarHBondContact O-N 3.36Å; Y122-W125 PolarHBondContact O-N 2.95Å; Y122-T126 WeakPolarHBondContact O-CB 3.3Å; Y122-T126 PolarHBondContact O-N 2.99Å; Y122-T126 PolarHBondContact O-OG1 3.44Å |
| 123 | T | 63.6 | Low | 66.3 | Low | 69 Ų | 69 | 84.2 Ų | 84.2 | 42% | 0.423 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 177.3 | -58 | 0 | 0 | 0 | 0 | 111.4 | L119 A120 A121 W125 T126 L127 | L119-T123 VanDerWaalsContact O-CB 3.32Å; L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 PolarHBondContact O-N 3.33Å; L119-T123 PolarHBondContact O-OG1 2.86Å; A120-T123 PolarHBondContact O-N 3.31Å; A121-T123 VanDerWaalsContact C-N 3.32Å; A121-T123 PolarHBondContact O-N 2.95Å; T123-W125 VanDerWaalsContact C-N 3.31Å; T123-W125 PolarHBondContact O-N 3.48Å; T123-T126 PolarHBondContact O-N 2.93Å; T123-L127 HydrophobicContact CG2-CD1 4.37Å; T123-L127 WeakPolarHBondContact O-CG 3.32Å; T123-L127 PolarHBondContact O-N 3.44Å |
| 124 | V | 68.1 | Low | 67.6 | Low | 99 Ų | 99 | 88 Ų | 88 | 60% | 0.6 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.7 | -42.6 | 174.9 | 172 | 0 | 0 | 0 | 0 | 110.7 | A120 A121 L127 F128 | A120-V124 WeakPolarHBondContact O-CG2 3.23Å; A120-V124 PolarHBondContact O-N 3.31Å; A121-V124 PolarHBondContact O-N 2.91Å; V124-L127 PolarHBondContact O-N 2.88Å; V124-F128 PolarHBondContact O-N 2.98Å |
| 125 | W | 68.8 | Low | 69 | Low | 90 Ų | 90 | 92.6 Ų | 92.6 | 34% | 0.341 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 176.1 | 177 | -111.6 | 0 | 0 | 0 | 112.7 | A121 Y122 T123 L127 F128 Q129 L309 | A121-W125 VanDerWaalsContact O-CB 3.28Å; A121-W125 WeakPolarHBondContact O-CB 3.45Å; A121-W125 PolarHBondContact O-N 3.23Å; Y122-W125 PolarHBondContact O-N 2.95Å; T123-W125 VanDerWaalsContact C-N 3.31Å; T123-W125 PolarHBondContact O-N 3.48Å; W125-L127 VanDerWaalsContact C-N 3.28Å; W125-L127 PolarHBondContact O-N 3.32Å; W125-F128 HydrophobicContact CE3-CD1 4.22Å; W125-F128 AromaticContact CZ3-CD1 3.92Å; W125-F128 HydrophobicContact CZ3-CD1 3.92Å; W125-F128 HydrophobicContact CZ3-CE1 4.28Å; W125-F128 PolarHBondContact O-N 3.06Å; W125-Q129 HydrophobicContact CD2-CG 4.18Å; W125-Q129 HydrophobicContact CH2-CG 4.44Å; W125-Q129 HydrophobicContact CZ2-CG 3.83Å; W125-Q129 WeakPolarHBondContact O-CB 3.24Å; W125-Q129 PolarHBondContact O-N 3.19Å; W125-L309 HydrophobicContact CH2-CD2 3.45Å; W125-L309 VanDerWaalsContact CH2-CD2 3.45Å; W125-L309 HydrophobicContact CZ2-CD2 3.83Å |
| 126 | T | 65.4 | Low | 69.8 | Low | 37 Ų | 37 | 93 Ų | 93 | 23% | 0.227 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | Y122 T123 R130 | Y122-T126 WeakPolarHBondContact O-CB 3.3Å; Y122-T126 PolarHBondContact O-N 2.99Å; Y122-T126 PolarHBondContact O-OG1 3.44Å; T123-T126 PolarHBondContact O-N 2.93Å; T126-R130 WeakPolarHBondContact O-CB 3.27Å; T126-R130 VanDerWaalsContact O-CG 3.3Å; T126-R130 WeakPolarHBondContact O-CG 3.41Å; T126-R130 PolarHBondContact O-N 3.22Å |
| 127 | L | 66.3 | Low | 70.4 | Confident | 81 Ų | 81 | 92.3 Ų | 92.3 | 42% | 0.424 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.8 | -49.4 | 173 | -73.5 | 169 | 0 | 0 | 0 | 111.4 | T123 V124 W125 Q129 R130 Y131 | T123-L127 HydrophobicContact CG2-CD1 4.37Å; T123-L127 WeakPolarHBondContact O-CG 3.32Å; T123-L127 PolarHBondContact O-N 3.44Å; V124-L127 PolarHBondContact O-N 2.88Å; W125-L127 VanDerWaalsContact C-N 3.28Å; W125-L127 PolarHBondContact O-N 3.32Å; L127-Q129 PolarHBondContact O-N 3.32Å; L127-R130 PolarHBondContact O-N 3.28Å; L127-R130 VanDerWaalsContact O-N 3.16Å; L127-Y131 VanDerWaalsContact O-CD2 3.28Å; L127-Y131 WeakPolarHBondContact O-CD2 3.31Å; L127-Y131 PolarHBondContact O-N 3.46Å |
| 128 | F | 69.3 | Low | 71.2 | Confident | 115 Ų | 115 | 92.3 Ų | 92.3 | 50% | 0.504 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57 | -48.3 | 177.1 | 176.2 | -99.1 | 0 | 0 | 0 | 112 | V124 W125 R130 Y131 T132 | V124-F128 PolarHBondContact O-N 2.98Å; W125-F128 HydrophobicContact CE3-CD1 4.22Å; W125-F128 AromaticContact CZ3-CD1 3.92Å; W125-F128 HydrophobicContact CZ3-CD1 3.92Å; W125-F128 HydrophobicContact CZ3-CE1 4.28Å; W125-F128 PolarHBondContact O-N 3.06Å; F128-R130 VanDerWaalsContact C-N 3.31Å; F128-R130 PolarHBondContact O-N 3.16Å; F128-Y131 PolarHBondContact O-N 2.83Å; F128-T132 WeakPolarHBondContact CZ-OG1 3.49Å; F128-T132 WeakPolarHBondContact O-CB 3.25Å; F128-T132 PolarHBondContact O-N 3.1Å; F128-T132 PolarHBondContact O-OG1 3.21Å; F128-T132 VanDerWaalsContact O-OG1 3.13Å |
| 129 | Q | 72.8 | Confident | 71.8 | Confident | 64 Ų | 64 | 94.1 Ų | 94.1 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.5 | -43 | 175.9 | -81.7 | -71.6 | -22.2 | 0 | 0 | 112.1 | W125 L127 S133 | W125-Q129 HydrophobicContact CD2-CG 4.18Å; W125-Q129 HydrophobicContact CH2-CG 4.44Å; W125-Q129 HydrophobicContact CZ2-CG 3.83Å; W125-Q129 WeakPolarHBondContact O-CB 3.24Å; W125-Q129 PolarHBondContact O-N 3.19Å; L127-Q129 PolarHBondContact O-N 3.32Å; Q129-S133 WeakPolarHBondContact O-CB 3.44Å; Q129-S133 PolarHBondContact O-N 3.47Å; Q129-S133 PolarHBondContact O-OG 3.26Å |
| 130 | R | 69.7 | Low | 72.3 | Confident | 173 Ų | 173 | 93.9 Ų | 93.9 | 65% | 0.653 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.9 | -46.7 | 176.2 | -78.9 | 177.6 | 175 | 167.2 | 1.6 | 112.2 | T126 L127 F128 H134 | T126-R130 WeakPolarHBondContact O-CB 3.27Å; T126-R130 VanDerWaalsContact O-CG 3.3Å; T126-R130 WeakPolarHBondContact O-CG 3.41Å; T126-R130 PolarHBondContact O-N 3.22Å; L127-R130 PolarHBondContact O-N 3.28Å; L127-R130 VanDerWaalsContact O-N 3.16Å; F128-R130 VanDerWaalsContact C-N 3.31Å; F128-R130 PolarHBondContact O-N 3.16Å; R130-H134 WeakPolarHBondContact O-CB 3.42Å; R130-H134 PolarHBondContact O-N 2.93Å |
| 131 | Y | 69.3 | Low | 73.3 | Confident | 170 Ų | 170 | 97.2 Ų | 97.2 | 67% | 0.667 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65 | -46.8 | 179.8 | -88.1 | -74.8 | 0 | 0 | 0 | 112 | L127 F128 H134 Y135 | L127-Y131 VanDerWaalsContact O-CD2 3.28Å; L127-Y131 WeakPolarHBondContact O-CD2 3.31Å; L127-Y131 PolarHBondContact O-N 3.46Å; F128-Y131 PolarHBondContact O-N 2.83Å; Y131-H134 PolarHBondContact O-N 3.48Å; Y131-Y135 WeakPolarHBondContact O-CB 3.3Å; Y131-Y135 PolarHBondContact O-N 3.19Å |
| 132 | T | 73.2 | Confident | 74.1 | Confident | 48 Ų | 48 | 97.4 Ų | 97.4 | 29% | 0.294 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 178.6 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | F128 H134 Y135 I136 | F128-T132 WeakPolarHBondContact CZ-OG1 3.49Å; F128-T132 WeakPolarHBondContact O-CB 3.25Å; F128-T132 PolarHBondContact O-N 3.1Å; F128-T132 PolarHBondContact O-OG1 3.21Å; F128-T132 VanDerWaalsContact O-OG1 3.13Å; T132-H134 PolarHBondContact O-N 3.27Å; T132-Y135 PolarHBondContact O-N 2.91Å; T132-I136 HydrophobicContact CG2-CD1 3.75Å; T132-I136 HydrophobicContact CG2-CG1 4.41Å; T132-I136 VanDerWaalsContact O-CG1 3.26Å; T132-I136 WeakPolarHBondContact O-CG1 3.48Å; T132-I136 PolarHBondContact O-N 3.03Å |
| 133 | S | 72.1 | Confident | 75.1 | Confident | 58 Ų | 58 | 92.9 Ų | 92.9 | 41% | 0.406 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.7 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | Q129 I136 V137 | Q129-S133 WeakPolarHBondContact O-CB 3.44Å; Q129-S133 PolarHBondContact O-N 3.47Å; Q129-S133 PolarHBondContact O-OG 3.26Å; S133-I136 PolarHBondContact O-N 3.4Å; S133-V137 WeakPolarHBondContact O-CB 3.44Å; S133-V137 VanDerWaalsContact O-CG2 3.24Å; S133-V137 WeakPolarHBondContact O-CG2 3.43Å; S133-V137 PolarHBondContact O-N 2.91Å |
| 134 | H | 77.1 | Confident | 76.2 | Confident | 113 Ų | 113 | 97 Ų | 97 | 52% | 0.523 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 177.2 | -176.1 | 65.1 | 0 | 0 | 0 | 111.9 | R130 Y131 T132 V137 N138 | R130-H134 WeakPolarHBondContact O-CB 3.42Å; R130-H134 PolarHBondContact O-N 2.93Å; Y131-H134 PolarHBondContact O-N 3.48Å; T132-H134 PolarHBondContact O-N 3.27Å; H134-V137 PolarHBondContact O-N 3.31Å; H134-N138 PolarHBondContact CD2-ND2 3.46Å; H134-N138 PolarHBondContact CE1-ND2 2.93Å; H134-N138 PolarHBondContact CE1-OD1 2.94Å; H134-N138 PolarHBondContact NE2-ND2 3.1Å; H134-N138 WeakPolarHBondContact O-CB 3.35Å; H134-N138 PolarHBondContact O-N 2.98Å; H134-N138 PolarHBondContact O-OD1 3.26Å |
| 135 | Y | 77.9 | Confident | 77.3 | Confident | 148 Ų | 148 | 95.9 Ų | 95.9 | 58% | 0.58 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.4 | -47.1 | 177 | 178.2 | -95.3 | 0 | 0 | 0 | 112.1 | Y131 T132 K139 | Y131-Y135 WeakPolarHBondContact O-CB 3.3Å; Y131-Y135 PolarHBondContact O-N 3.19Å; T132-Y135 PolarHBondContact O-N 2.91Å; Y135-K139 HydrophobicContact CE1-CD 4.16Å; Y135-K139 VanDerWaalsContact O-CB 3.28Å; Y135-K139 WeakPolarHBondContact O-CB 3.45Å; Y135-K139 PolarHBondContact O-N 2.82Å |
| 136 | I | 79 | Confident | 78.3 | Confident | 78 Ų | 78 | 96.9 Ų | 96.9 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 179.3 | -67.7 | 167.6 | 0 | 0 | 0 | 110.4 | T132 S133 K139 V140 | T132-I136 HydrophobicContact CG2-CD1 3.75Å; T132-I136 HydrophobicContact CG2-CG1 4.41Å; T132-I136 VanDerWaalsContact O-CG1 3.26Å; T132-I136 WeakPolarHBondContact O-CG1 3.48Å; T132-I136 PolarHBondContact O-N 3.03Å; S133-I136 PolarHBondContact O-N 3.4Å; I136-K139 PolarHBondContact O-N 3.37Å; I136-V140 HydrophobicContact CG2-CG2 4.35Å; I136-V140 WeakPolarHBondContact O-CB 3.44Å; I136-V140 VanDerWaalsContact O-CG2 3.31Å; I136-V140 WeakPolarHBondContact O-CG2 3.46Å; I136-V140 PolarHBondContact O-N 3.2Å |
| 137 | V | 80.8 | Confident | 79.4 | Confident | 87 Ų | 87 | 100.2 Ų | 100.2 | 53% | 0.527 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | -179.9 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | S133 H134 K139 V140 E141 | S133-V137 WeakPolarHBondContact O-CB 3.44Å; S133-V137 VanDerWaalsContact O-CG2 3.24Å; S133-V137 WeakPolarHBondContact O-CG2 3.43Å; S133-V137 PolarHBondContact O-N 2.91Å; H134-V137 PolarHBondContact O-N 3.31Å; V137-K139 VanDerWaalsContact C-N 3.31Å; V137-K139 PolarHBondContact O-N 3.4Å; V137-V140 PolarHBondContact O-N 3.49Å; V137-E141 WeakPolarHBondContact O-CB 3.5Å; V137-E141 PolarHBondContact O-N 3.09Å |
| 138 | N | 83.8 | Confident | 80.5 | Confident | 68 Ų | 68 | 98.6 Ų | 98.6 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 178.3 | -71.7 | -4.8 | 0 | 0 | 0 | 112.1 | H134 C142 | H134-N138 PolarHBondContact CD2-ND2 3.46Å; H134-N138 PolarHBondContact CE1-ND2 2.93Å; H134-N138 PolarHBondContact CE1-OD1 2.94Å; H134-N138 PolarHBondContact NE2-ND2 3.1Å; H134-N138 WeakPolarHBondContact O-CB 3.35Å; H134-N138 PolarHBondContact O-N 2.98Å; H134-N138 PolarHBondContact O-OD1 3.26Å; N138-C142 VanDerWaalsContact O-CB 3.23Å; N138-C142 WeakPolarHBondContact O-CB 3.39Å; N138-C142 PolarHBondContact O-N 2.87Å |
| 139 | K | 82.9 | Confident | 81.6 | Confident | 109 Ų | 109 | 97.7 Ų | 97.7 | 47% | 0.474 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.4 | -46.9 | 178.1 | -173.2 | 173.2 | -178.2 | 178.6 | 0 | 111.1 | Y135 I136 V137 E141 C142 D143 | Y135-K139 HydrophobicContact CE1-CD 4.16Å; Y135-K139 VanDerWaalsContact O-CB 3.28Å; Y135-K139 WeakPolarHBondContact O-CB 3.45Å; Y135-K139 PolarHBondContact O-N 2.82Å; I136-K139 PolarHBondContact O-N 3.37Å; V137-K139 VanDerWaalsContact C-N 3.31Å; V137-K139 PolarHBondContact O-N 3.4Å; K139-E141 VanDerWaalsContact C-N 3.34Å; K139-E141 PolarHBondContact O-N 3.28Å; K139-C142 PolarHBondContact O-N 3.13Å; K139-D143 WeakPolarHBondContact O-CB 3.23Å; K139-D143 PolarHBondContact O-N 3.37Å |
| 140 | V | 81.2 | Confident | 82.4 | Confident | 93 Ų | 93 | 99.1 Ų | 99.1 | 56% | 0.564 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | I136 V137 D143 Y144 | I136-V140 HydrophobicContact CG2-CG2 4.35Å; I136-V140 WeakPolarHBondContact O-CB 3.44Å; I136-V140 VanDerWaalsContact O-CG2 3.31Å; I136-V140 WeakPolarHBondContact O-CG2 3.46Å; I136-V140 PolarHBondContact O-N 3.2Å; V137-V140 PolarHBondContact O-N 3.49Å; V140-D143 PolarHBondContact O-N 3.42Å; V140-Y144 WeakPolarHBondContact O-CB 3.19Å; V140-Y144 PolarHBondContact O-N 3.02Å |
| 141 | E | 85 | Confident | 83.5 | Confident | 123 Ų | 123 | 94.9 Ų | 94.9 | 58% | 0.575 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 176.8 | -173.2 | 170.8 | -167.9 | 0 | 0 | 111.6 | V137 K139 Y144 V145 | V137-E141 WeakPolarHBondContact O-CB 3.5Å; V137-E141 PolarHBondContact O-N 3.09Å; K139-E141 VanDerWaalsContact C-N 3.34Å; K139-E141 PolarHBondContact O-N 3.28Å; E141-Y144 PolarHBondContact O-N 2.97Å; E141-V145 WeakPolarHBondContact O-CG2 3.45Å; E141-V145 PolarHBondContact O-N 2.94Å |
| 142 | C | 85.9 | Confident | 84.6 | Confident | 64 Ų | 64 | 90.8 Ų | 90.8 | 43% | 0.432 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | N138 K139 Y144 V145 K146 | N138-C142 VanDerWaalsContact O-CB 3.23Å; N138-C142 WeakPolarHBondContact O-CB 3.39Å; N138-C142 PolarHBondContact O-N 2.87Å; K139-C142 PolarHBondContact O-N 3.13Å; C142-Y144 VanDerWaalsContact C-N 3.35Å; C142-V145 PolarHBondContact O-N 3.41Å; C142-K146 WeakPolarHBondContact O-CG 3.45Å; C142-K146 PolarHBondContact O-N 3.38Å; C142-K146 VanDerWaalsContact O-N 3.14Å |
| 143 | D | 84.5 | Confident | 85.5 | Confident | 63 Ų | 63 | 97 Ų | 97 | 34% | 0.337 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.4 | -36.2 | 178.6 | -69.2 | -19.9 | 0 | 0 | 0 | 111.3 | K139 V140 K146 I147 | K139-D143 WeakPolarHBondContact O-CB 3.23Å; K139-D143 PolarHBondContact O-N 3.37Å; V140-D143 PolarHBondContact O-N 3.42Å; D143-K146 PolarHBondContact O-N 2.84Å; D143-K146 IonicContact OD1-NZ 3.35Å; D143-K146 PolarHBondContact OD1-NZ 3.39Å; D143-I147 VanDerWaalsContact O-CG1 3.24Å; D143-I147 WeakPolarHBondContact O-CG1 3.33Å; D143-I147 PolarHBondContact O-N 3.4Å |
| 144 | Y | 88.4 | Confident | 86.3 | Confident | 156 Ų | 156 | 98.9 Ų | 98.9 | 61% | 0.612 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.6 | -45.7 | 172.9 | -179.7 | -99.2 | 0 | 0 | 0 | 112.1 | V140 E141 C142 K146 I147 V148 | V140-Y144 WeakPolarHBondContact O-CB 3.19Å; V140-Y144 PolarHBondContact O-N 3.02Å; E141-Y144 PolarHBondContact O-N 2.97Å; C142-Y144 VanDerWaalsContact C-N 3.35Å; Y144-K146 VanDerWaalsContact C-N 3.35Å; Y144-K146 PolarHBondContact O-N 3.46Å; Y144-I147 PolarHBondContact O-N 2.97Å; Y144-V148 HydrophobicContact CD1-CG2 4.14Å; Y144-V148 HydrophobicContact CE1-CG2 3.71Å; Y144-V148 HydrophobicContact CE2-CG2 4.14Å; Y144-V148 WeakPolarHBondContact O-CG2 3.44Å; Y144-V148 PolarHBondContact O-N 3.05Å |
| 145 | V | 90.7 | Very high | 87 | Confident | 76 Ų | 76 | 99 Ų | 99 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 176.1 | 171 | 0 | 0 | 0 | 0 | 110.9 | E141 C142 I147 V148 D149 | E141-V145 WeakPolarHBondContact O-CG2 3.45Å; E141-V145 PolarHBondContact O-N 2.94Å; C142-V145 PolarHBondContact O-N 3.41Å; V145-I147 VanDerWaalsContact C-N 3.34Å; V145-I147 PolarHBondContact O-N 3.07Å; V145-V148 PolarHBondContact O-N 3Å; V145-D149 PolarHBondContact O-N 3.23Å |
| 146 | K | 89.8 | Confident | 87.7 | Confident | 110 Ų | 110 | 95.9 Ų | 95.9 | 48% | 0.478 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 176.8 | -67.6 | 171.5 | -169.3 | 161.1 | 0 | 112.5 | C142 D143 Y144 V148 D149 L150 | C142-K146 WeakPolarHBondContact O-CG 3.45Å; C142-K146 PolarHBondContact O-N 3.38Å; C142-K146 VanDerWaalsContact O-N 3.14Å; D143-K146 PolarHBondContact O-N 2.84Å; D143-K146 IonicContact OD1-NZ 3.35Å; D143-K146 PolarHBondContact OD1-NZ 3.39Å; Y144-K146 VanDerWaalsContact C-N 3.35Å; Y144-K146 PolarHBondContact O-N 3.46Å; K146-V148 VanDerWaalsContact C-N 3.35Å; K146-D149 PolarHBondContact O-N 3.11Å; K146-L150 WeakPolarHBondContact O-CG 3.29Å; K146-L150 PolarHBondContact O-N 3.41Å |
| 147 | I | 87 | Confident | 88.1 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 55% | 0.554 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 178 | -70.6 | 165.4 | 0 | 0 | 0 | 110.5 | D143 Y144 V145 L150 L151 | D143-I147 VanDerWaalsContact O-CG1 3.24Å; D143-I147 WeakPolarHBondContact O-CG1 3.33Å; D143-I147 PolarHBondContact O-N 3.4Å; Y144-I147 PolarHBondContact O-N 2.97Å; V145-I147 VanDerWaalsContact C-N 3.34Å; V145-I147 PolarHBondContact O-N 3.07Å; I147-L150 PolarHBondContact O-N 2.94Å; I147-L151 WeakPolarHBondContact O-CB 3.43Å; I147-L151 PolarHBondContact O-N 2.91Å |
| 148 | V | 90.7 | Very high | 88.6 | Confident | 46 Ų | 46 | 99.7 Ų | 99.7 | 28% | 0.279 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 177.2 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | Y144 V145 K146 L151 N152 | Y144-V148 HydrophobicContact CD1-CG2 4.14Å; Y144-V148 HydrophobicContact CE1-CG2 3.71Å; Y144-V148 HydrophobicContact CE2-CG2 4.14Å; Y144-V148 WeakPolarHBondContact O-CG2 3.44Å; Y144-V148 PolarHBondContact O-N 3.05Å; V145-V148 PolarHBondContact O-N 3Å; K146-V148 VanDerWaalsContact C-N 3.35Å; V148-L151 PolarHBondContact O-N 3.01Å; V148-N152 PolarHBondContact O-N 3.05Å; V148-N152 PolarHBondContact O-ND2 2.92Å |
| 149 | D | 91.3 | Very high | 89 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.8 | -73.4 | -19.5 | 0 | 0 | 0 | 112 | V145 K146 L151 N152 R153 | V145-D149 PolarHBondContact O-N 3.23Å; K146-D149 PolarHBondContact O-N 3.11Å; D149-L151 PolarHBondContact O-N 3.21Å; D149-N152 PolarHBondContact O-N 3.09Å; D149-R153 PolarHBondContact O-N 3.05Å |
| 150 | L | 91 | Very high | 89.3 | Confident | 94 Ų | 94 | 100.2 Ų | 100.2 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.4 | -75.3 | 169.9 | 0 | 0 | 0 | 111.6 | K146 I147 N152 R153 I154 | K146-L150 WeakPolarHBondContact O-CG 3.29Å; K146-L150 PolarHBondContact O-N 3.41Å; I147-L150 PolarHBondContact O-N 2.94Å; L150-N152 VanDerWaalsContact C-N 3.32Å; L150-N152 PolarHBondContact O-N 3.33Å; L150-R153 PolarHBondContact O-N 3.15Å; L150-I154 WeakPolarHBondContact O-CG1 3.37Å; L150-I154 PolarHBondContact O-N 2.9Å |
| 151 | L | 91.7 | Very high | 89.6 | Confident | 83 Ų | 83 | 99.3 Ų | 99.3 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 177.5 | 180 | 63.9 | 0 | 0 | 0 | 111.7 | I147 V148 D149 R153 I154 K155 | I147-L151 WeakPolarHBondContact O-CB 3.43Å; I147-L151 PolarHBondContact O-N 2.91Å; V148-L151 PolarHBondContact O-N 3.01Å; D149-L151 PolarHBondContact O-N 3.21Å; L151-R153 VanDerWaalsContact C-N 3.34Å; L151-I154 PolarHBondContact O-N 3.3Å; L151-K155 WeakPolarHBondContact O-CG 3.45Å; L151-K155 PolarHBondContact O-N 3.29Å |
| 152 | N | 92.3 | Very high | 89.8 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.5 | -72.8 | -28.4 | 0 | 0 | 0 | 111.6 | V148 D149 L150 K155 S156 | V148-N152 PolarHBondContact O-N 3.05Å; V148-N152 PolarHBondContact O-ND2 2.92Å; D149-N152 PolarHBondContact O-N 3.09Å; L150-N152 VanDerWaalsContact C-N 3.32Å; L150-N152 PolarHBondContact O-N 3.33Å; N152-K155 PolarHBondContact O-N 2.78Å; N152-S156 PolarHBondContact O-N 3.4Å |
| 153 | R | 92 | Very high | 90 | Very high | 178 Ų | 178 | 101.6 Ų | 101.6 | 67% | 0.672 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 175.6 | -158.5 | 166.9 | 86.4 | 172.6 | 7.2 | 111.7 | D149 L150 L151 K155 S156 T157 | D149-R153 PolarHBondContact O-N 3.05Å; L150-R153 PolarHBondContact O-N 3.15Å; L151-R153 VanDerWaalsContact C-N 3.34Å; R153-K155 VanDerWaalsContact C-N 3.34Å; R153-K155 PolarHBondContact O-N 2.88Å; R153-S156 WeakPolarHBondContact O-CB 3.48Å; R153-S156 PolarHBondContact O-N 3.02Å; R153-T157 PolarHBondContact O-N 3.33Å; R153-T157 PolarHBondContact O-OG1 3.4Å; R153-T157 VanDerWaalsContact O-OG1 3.11Å |
| 154 | I | 89.7 | Confident | 90.2 | Very high | 98 Ų | 98 | 102.2 Ų | 102.2 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 176.1 | -69.2 | 166.7 | 0 | 0 | 0 | 111 | L150 L151 S156 T157 R158 | L150-I154 WeakPolarHBondContact O-CG1 3.37Å; L150-I154 PolarHBondContact O-N 2.9Å; L151-I154 PolarHBondContact O-N 3.3Å; I154-S156 PolarHBondContact O-N 3.4Å; I154-T157 PolarHBondContact O-N 3.19Å; I154-R158 WeakPolarHBondContact O-CB 3.39Å; I154-R158 PolarHBondContact O-N 3.09Å |
| 155 | K | 91.4 | Very high | 90.3 | Very high | 117 Ų | 117 | 103.4 Ų | 103.4 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 175.9 | -74.4 | 175.9 | -179.2 | 176 | 0 | 111.8 | L151 N152 R153 T157 R158 E159 | L151-K155 WeakPolarHBondContact O-CG 3.45Å; L151-K155 PolarHBondContact O-N 3.29Å; N152-K155 PolarHBondContact O-N 2.78Å; R153-K155 VanDerWaalsContact C-N 3.34Å; R153-K155 PolarHBondContact O-N 2.88Å; K155-T157 PolarHBondContact O-N 2.61Å; K155-R158 PolarHBondContact O-N 3.42Å; K155-E159 PolarHBondContact O-N 3.44Å; K155-E159 VanDerWaalsContact O-N 3.08Å |
| 156 | S | 92.4 | Very high | 90.2 | Very high | 81 Ų | 81 | 106.6 Ų | 106.6 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 177.2 | -170.7 | 0 | 0 | 0 | 0 | 112.1 | N152 R153 I154 R158 E159 E160 | N152-S156 PolarHBondContact O-N 3.4Å; R153-S156 WeakPolarHBondContact O-CB 3.48Å; R153-S156 PolarHBondContact O-N 3.02Å; I154-S156 PolarHBondContact O-N 3.4Å; S156-R158 VanDerWaalsContact C-N 3.32Å; S156-R158 PolarHBondContact O-N 3.35Å; S156-E159 PolarHBondContact O-N 3.28Å; S156-E160 PolarHBondContact O-N 3.33Å; S156-E160 VanDerWaalsContact O-N 3.07Å |
| 157 | T | 87.4 | Confident | 90.1 | Very high | 76 Ų | 76 | 104.6 Ų | 104.6 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 177.2 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | R153 I154 K155 E160 I161 | R153-T157 PolarHBondContact O-N 3.33Å; R153-T157 PolarHBondContact O-OG1 3.4Å; R153-T157 VanDerWaalsContact O-OG1 3.11Å; I154-T157 PolarHBondContact O-N 3.19Å; K155-T157 PolarHBondContact O-N 2.61Å; T157-E160 WeakPolarHBondContact O-CB 3.31Å; T157-E160 PolarHBondContact O-N 3.35Å; T157-I161 HydrophobicContact CG2-CD1 4.05Å; T157-I161 WeakPolarHBondContact O-CG1 3.08Å; T157-I161 PolarHBondContact O-N 3.34Å |
| 158 | R | 91.2 | Very high | 90.1 | Very high | 170 Ų | 170 | 106.6 Ų | 106.6 | 64% | 0.642 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.7 | -45.8 | 176 | -179.1 | -176.9 | 174 | -167.9 | -1.8 | 111.8 | I154 K155 S156 E160 I161 I162 | I154-R158 WeakPolarHBondContact O-CB 3.39Å; I154-R158 PolarHBondContact O-N 3.09Å; K155-R158 PolarHBondContact O-N 3.42Å; S156-R158 VanDerWaalsContact C-N 3.32Å; S156-R158 PolarHBondContact O-N 3.35Å; R158-E160 VanDerWaalsContact C-N 3.27Å; R158-E160 PolarHBondContact O-N 2.57Å; R158-I161 PolarHBondContact O-N 2.9Å; R158-I162 HydrophobicContact CG-CD1 4.15Å; R158-I162 WeakPolarHBondContact O-CG1 3.33Å; R158-I162 PolarHBondContact O-N 3.07Å |
| 159 | E | 92 | Very high | 89.9 | Confident | 114 Ų | 114 | 109.7 Ų | 109.7 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 176.1 | -69.3 | -61.2 | 158.3 | 0 | 0 | 111.3 | K155 S156 I162 R163 | K155-E159 PolarHBondContact O-N 3.44Å; K155-E159 VanDerWaalsContact O-N 3.08Å; S156-E159 PolarHBondContact O-N 3.28Å; E159-I162 PolarHBondContact O-N 2.76Å; E159-R163 WeakPolarHBondContact O-CG 3.49Å; E159-R163 PolarHBondContact O-N 3.37Å |
| 160 | E | 89.8 | Confident | 89.5 | Confident | 74 Ų | 74 | 109 Ų | 109 | 35% | 0.346 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 174 | -171.4 | 58.8 | -156.9 | 0 | 0 | 112.4 | S156 T157 R158 I162 R163 L164 | S156-E160 PolarHBondContact O-N 3.33Å; S156-E160 VanDerWaalsContact O-N 3.07Å; T157-E160 WeakPolarHBondContact O-CB 3.31Å; T157-E160 PolarHBondContact O-N 3.35Å; R158-E160 VanDerWaalsContact C-N 3.27Å; R158-E160 PolarHBondContact O-N 2.57Å; E160-I162 VanDerWaalsContact C-N 3.29Å; E160-I162 PolarHBondContact O-N 3.25Å; E160-R163 WeakPolarHBondContact O-CB 3.45Å; E160-R163 PolarHBondContact O-N 3.48Å; E160-R163 VanDerWaalsContact O-N 3.15Å; E160-R163 IonicContact OE2-CZ 3.15Å; E160-R163 IonicContact OE2-NE 3.34Å; E160-R163 PolarHBondContact OE2-NE 3.08Å; E160-R163 IonicContact OE2-NH2 2.57Å; E160-R163 PolarHBondContact OE2-NH2 3.28Å; E160-L164 HydrophobicContact CG-CD1 4.18Å; E160-L164 WeakPolarHBondContact O-CG 3.12Å; E160-L164 PolarHBondContact O-N 3.49Å |
| 161 | I | 88.1 | Confident | 88.8 | Confident | 73 Ų | 73 | 109.2 Ų | 109.2 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 178.1 | -69.6 | 166.9 | 0 | 0 | 0 | 111 | T157 R158 L164 R165 | T157-I161 HydrophobicContact CG2-CD1 4.05Å; T157-I161 WeakPolarHBondContact O-CG1 3.08Å; T157-I161 PolarHBondContact O-N 3.34Å; R158-I161 PolarHBondContact O-N 2.9Å; I161-L164 PolarHBondContact O-N 3.35Å; I161-R165 HydrophobicContact CG2-CG 4.38Å; I161-R165 WeakPolarHBondContact O-CB 3.35Å; I161-R165 VanDerWaalsContact O-CG 3.29Å; I161-R165 WeakPolarHBondContact O-CG 3.34Å; I161-R165 PolarHBondContact O-N 2.91Å |
| 162 | I | 89.4 | Confident | 88.5 | Confident | 77 Ų | 77 | 110.4 Ų | 110.4 | 40% | 0.395 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 177.1 | -68.9 | 166.8 | 0 | 0 | 0 | 110.5 | R158 E159 E160 R165 K166 | R158-I162 HydrophobicContact CG-CD1 4.15Å; R158-I162 WeakPolarHBondContact O-CG1 3.33Å; R158-I162 PolarHBondContact O-N 3.07Å; E159-I162 PolarHBondContact O-N 2.76Å; E160-I162 VanDerWaalsContact C-N 3.29Å; E160-I162 PolarHBondContact O-N 3.25Å; I162-R165 PolarHBondContact O-N 3.44Å; I162-K166 PolarHBondContact O-N 2.95Å |
| 163 | R | 89.8 | Confident | 88.2 | Confident | 158 Ų | 158 | 110.1 Ų | 110.1 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.9 | -48.2 | 175.6 | -70.5 | -166.9 | -68.4 | 165.3 | -11.9 | 111.7 | E159 E160 R165 K166 T167 | E159-R163 WeakPolarHBondContact O-CG 3.49Å; E159-R163 PolarHBondContact O-N 3.37Å; E160-R163 WeakPolarHBondContact O-CB 3.45Å; E160-R163 PolarHBondContact O-N 3.48Å; E160-R163 VanDerWaalsContact O-N 3.15Å; E160-R163 IonicContact OE2-CZ 3.15Å; E160-R163 IonicContact OE2-NE 3.34Å; E160-R163 PolarHBondContact OE2-NE 3.08Å; E160-R163 IonicContact OE2-NH2 2.57Å; E160-R163 PolarHBondContact OE2-NH2 3.28Å; R163-R165 VanDerWaalsContact C-N 3.33Å; R163-R165 PolarHBondContact O-N 3.02Å; R163-K166 PolarHBondContact O-N 3.32Å; R163-T167 PolarHBondContact O-N 3.37Å; R163-T167 PolarHBondContact O-OG1 3.5Å; R163-T167 VanDerWaalsContact O-OG1 3.09Å |
| 164 | L | 88.6 | Confident | 87.8 | Confident | 77 Ų | 77 | 107.3 Ų | 107.3 | 40% | 0.403 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -40 | 178.5 | -71.3 | 173.9 | 0 | 0 | 0 | 112.4 | E160 I161 T167 K168 | E160-L164 HydrophobicContact CG-CD1 4.18Å; E160-L164 WeakPolarHBondContact O-CG 3.12Å; E160-L164 PolarHBondContact O-N 3.49Å; I161-L164 PolarHBondContact O-N 3.35Å; L164-T167 PolarHBondContact O-N 2.98Å; L164-K168 WeakPolarHBondContact O-CB 3.28Å; L164-K168 PolarHBondContact O-N 3.4Å |
| 165 | R | 89.7 | Confident | 87.4 | Confident | 180 Ų | 180 | 108.2 Ų | 108.2 | 68% | 0.679 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 175.6 | -76.5 | 176.4 | -179.1 | -180 | 0.7 | 112.2 | I161 I162 R163 K168 H169 | I161-R165 HydrophobicContact CG2-CG 4.38Å; I161-R165 WeakPolarHBondContact O-CB 3.35Å; I161-R165 VanDerWaalsContact O-CG 3.29Å; I161-R165 WeakPolarHBondContact O-CG 3.34Å; I161-R165 PolarHBondContact O-N 2.91Å; I162-R165 PolarHBondContact O-N 3.44Å; R163-R165 VanDerWaalsContact C-N 3.33Å; R163-R165 PolarHBondContact O-N 3.02Å; R165-K168 PolarHBondContact O-N 3.1Å; R165-H169 PolarHBondContact O-N 2.94Å |
| 166 | K | 89.4 | Confident | 87 | Confident | 144 Ų | 144 | 106.3 Ų | 106.3 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.8 | -49.7 | 175.7 | -174 | 179.2 | 177.6 | -176.5 | 0 | 110.7 | I162 R163 K168 H169 D170 | I162-K166 PolarHBondContact O-N 2.95Å; R163-K166 PolarHBondContact O-N 3.32Å; K166-K168 VanDerWaalsContact C-N 3.33Å; K166-K168 PolarHBondContact O-N 3.49Å; K166-H169 WeakPolarHBondContact O-CB 3.44Å; K166-H169 PolarHBondContact O-N 3.03Å; K166-H169 VanDerWaalsContact O-N 3.07Å; K166-D170 PolarHBondContact O-N 3.29Å |
| 167 | T | 87.6 | Confident | 86.5 | Confident | 67 Ų | 67 | 105 Ų | 105 | 41% | 0.411 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 177.1 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | R163 L164 H169 D170 W171 | R163-T167 PolarHBondContact O-N 3.37Å; R163-T167 PolarHBondContact O-OG1 3.5Å; R163-T167 VanDerWaalsContact O-OG1 3.09Å; L164-T167 PolarHBondContact O-N 2.98Å; T167-H169 VanDerWaalsContact C-N 3.33Å; T167-H169 PolarHBondContact O-N 3.12Å; T167-D170 PolarHBondContact O-N 3.35Å; T167-W171 VanDerWaalsContact CG2-NE1 3.26Å; T167-W171 PolarHBondContact O-N 3.33Å |
| 168 | K | 87.3 | Confident | 86 | Confident | 151 Ų | 151 | 104.1 Ų | 104.1 | 66% | 0.657 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57.6 | -43 | 174.4 | -179.9 | -178.3 | 176.7 | 177.7 | 0 | 112.3 | L164 R165 K166 W171 E172 | L164-K168 WeakPolarHBondContact O-CB 3.28Å; L164-K168 PolarHBondContact O-N 3.4Å; R165-K168 PolarHBondContact O-N 3.1Å; K166-K168 VanDerWaalsContact C-N 3.33Å; K166-K168 PolarHBondContact O-N 3.49Å; K168-W171 WeakPolarHBondContact O-CB 3.39Å; K168-W171 PolarHBondContact O-N 2.98Å; K168-E172 PolarHBondContact O-N 3.19Å |
| 169 | H | 86.6 | Confident | 85.4 | Confident | 111 Ų | 111 | 101.2 Ų | 101.2 | 51% | 0.514 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 178.2 | -177.5 | 64 | 0 | 0 | 0 | 111.9 | R165 K166 T167 W171 E172 N173 | R165-H169 PolarHBondContact O-N 2.94Å; K166-H169 WeakPolarHBondContact O-CB 3.44Å; K166-H169 PolarHBondContact O-N 3.03Å; K166-H169 VanDerWaalsContact O-N 3.07Å; T167-H169 VanDerWaalsContact C-N 3.33Å; T167-H169 PolarHBondContact O-N 3.12Å; H169-W171 VanDerWaalsContact C-N 3.26Å; H169-W171 PolarHBondContact O-N 3.02Å; H169-E172 PolarHBondContact O-N 3.26Å; H169-N173 PolarHBondContact CD2-ND2 3.17Å; H169-N173 PolarHBondContact NE2-ND2 3.37Å; H169-N173 VanDerWaalsContact NE2-ND2 3.16Å; H169-N173 VanDerWaalsContact O-CG 3.3Å; H169-N173 PolarHBondContact O-N 2.93Å; H169-N173 VanDerWaalsContact O-N 3.09Å; H169-N173 PolarHBondContact O-ND2 3.41Å |
| 170 | D | 81.3 | Confident | 84.8 | Confident | 83 Ų | 83 | 98 Ų | 98 | 44% | 0.444 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 175.2 | -63.4 | -24 | 0 | 0 | 0 | 111 | K166 T167 N173 W174 | K166-D170 PolarHBondContact O-N 3.29Å; T167-D170 PolarHBondContact O-N 3.35Å; D170-N173 PolarHBondContact O-N 3.46Å; D170-W174 PolarHBondContact O-N 3.03Å |
| 171 | W | 77.6 | Confident | 84.4 | Confident | 97 Ų | 97 | 99.3 Ų | 99.3 | 37% | 0.367 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 173.5 | -78.5 | 115.8 | 0 | 0 | 0 | 113.7 | T167 K168 H169 N173 W174 F175 L258 | T167-W171 VanDerWaalsContact CG2-NE1 3.26Å; T167-W171 PolarHBondContact O-N 3.33Å; K168-W171 WeakPolarHBondContact O-CB 3.39Å; K168-W171 PolarHBondContact O-N 2.98Å; H169-W171 VanDerWaalsContact C-N 3.26Å; H169-W171 PolarHBondContact O-N 3.02Å; W171-N173 VanDerWaalsContact C-N 3.28Å; W171-N173 PolarHBondContact O-N 2.98Å; W171-W174 HydrophobicContact CE3-CB 4.48Å; W171-W174 HydrophobicContact CE3-CD2 4.27Å; W171-W174 AromaticContact CE3-CE3 3.82Å; W171-W174 HydrophobicContact CE3-CE3 3.82Å; W171-W174 HydrophobicContact CE3-CZ3 4.45Å; W171-W174 AromaticContact CZ3-CD2 3.89Å; W171-W174 HydrophobicContact CZ3-CD2 3.89Å; W171-W174 AromaticContact CZ3-CE3 3.75Å; W171-W174 HydrophobicContact CZ3-CE3 3.75Å; W171-W174 HydrophobicContact CZ3-CG 4.25Å; W171-W174 HydrophobicContact CZ3-CZ3 4.24Å; W171-W174 PolarHBondContact O-N 3.3Å; W171-F175 WeakPolarHBondContact O-CB 3.41Å; W171-F175 PolarHBondContact O-N 2.7Å; W171-L258 HydrophobicContact CD2-CD2 4.34Å; W171-L258 HydrophobicContact CH2-CD1 3.04Å; W171-L258 HydrophobicContact CH2-CD2 3.34Å; W171-L258 HydrophobicContact CH2-CG 3.75Å; W171-L258 HydrophobicContact CZ2-CD1 3.68Å; W171-L258 HydrophobicContact CZ2-CD2 2.99Å; W171-L258 HydrophobicContact CZ2-CG 3.91Å; W171-L258 HydrophobicContact CZ3-CD1 3.67Å; W171-L258 HydrophobicContact CZ3-CD2 4.05Å; W171-L258 HydrophobicContact CZ3-CG 4.38Å |
| 172 | E | 85.9 | Confident | 83.8 | Confident | 108 Ų | 108 | 101.4 Ų | 101.4 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 178.4 | -167.2 | 63.7 | -145.5 | 0 | 0 | 110.7 | K168 H169 W174 F175 Q176 | K168-E172 PolarHBondContact O-N 3.19Å; H169-E172 PolarHBondContact O-N 3.26Å; E172-W174 PolarHBondContact O-N 3.31Å; E172-F175 PolarHBondContact O-N 3.16Å; E172-Q176 WeakPolarHBondContact O-CB 3.44Å; E172-Q176 PolarHBondContact O-N 2.84Å |
| 173 | N | 84.1 | Confident | 83.3 | Confident | 78 Ų | 78 | 101.2 Ų | 101.2 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.4 | -67.5 | -26.2 | 0 | 0 | 0 | 111.8 | H169 D170 W171 S177 | H169-N173 PolarHBondContact CD2-ND2 3.17Å; H169-N173 PolarHBondContact NE2-ND2 3.37Å; H169-N173 VanDerWaalsContact NE2-ND2 3.16Å; H169-N173 VanDerWaalsContact O-CG 3.3Å; H169-N173 PolarHBondContact O-N 2.93Å; H169-N173 VanDerWaalsContact O-N 3.09Å; H169-N173 PolarHBondContact O-ND2 3.41Å; D170-N173 PolarHBondContact O-N 3.46Å; W171-N173 VanDerWaalsContact C-N 3.28Å; W171-N173 PolarHBondContact O-N 2.98Å; N173-S177 PolarHBondContact O-N 3.27Å; N173-S177 PolarHBondContact O-OG 3.38Å |
| 174 | W | 85.5 | Confident | 82.7 | Confident | 120 Ų | 120 | 96.8 Ų | 96.8 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 175.4 | 178.6 | 82.8 | 0 | 0 | 0 | 111.9 | D170 W171 E172 Q176 S177 V178 L255 | D170-W174 PolarHBondContact O-N 3.03Å; W171-W174 HydrophobicContact CE3-CB 4.48Å; W171-W174 HydrophobicContact CE3-CD2 4.27Å; W171-W174 AromaticContact CE3-CE3 3.82Å; W171-W174 HydrophobicContact CE3-CE3 3.82Å; W171-W174 HydrophobicContact CE3-CZ3 4.45Å; W171-W174 AromaticContact CZ3-CD2 3.89Å; W171-W174 HydrophobicContact CZ3-CD2 3.89Å; W171-W174 AromaticContact CZ3-CE3 3.75Å; W171-W174 HydrophobicContact CZ3-CE3 3.75Å; W171-W174 HydrophobicContact CZ3-CG 4.25Å; W171-W174 HydrophobicContact CZ3-CZ3 4.24Å; W171-W174 PolarHBondContact O-N 3.3Å; E172-W174 PolarHBondContact O-N 3.31Å; W174-Q176 VanDerWaalsContact C-N 3.32Å; W174-Q176 PolarHBondContact O-N 3.37Å; W174-S177 WeakPolarHBondContact O-CB 3.25Å; W174-S177 PolarHBondContact O-N 2.96Å; W174-S177 VanDerWaalsContact O-N 3.1Å; W174-V178 HydrophobicContact CD2-CG2 3.98Å; W174-V178 HydrophobicContact CE3-CG2 4.25Å; W174-V178 HydrophobicContact CH2-CG2 3.98Å; W174-V178 HydrophobicContact CZ2-CG2 3.66Å; W174-V178 HydrophobicContact CZ3-CG2 4.26Å; W174-V178 WeakPolarHBondContact O-CG2 3.38Å; W174-V178 PolarHBondContact O-N 2.85Å; W174-L255 HydrophobicContact CH2-CD2 3.94Å; W174-L255 HydrophobicContact CZ2-CD2 3.81Å |
| 175 | F | 81.2 | Confident | 82 | Confident | 116 Ų | 116 | 101.1 Ų | 101.1 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 178.3 | -177 | -101.9 | 0 | 0 | 0 | 111.8 | W171 E172 S177 V178 K179 | W171-F175 WeakPolarHBondContact O-CB 3.41Å; W171-F175 PolarHBondContact O-N 2.7Å; E172-F175 PolarHBondContact O-N 3.16Å; F175-S177 VanDerWaalsContact C-N 3.32Å; F175-S177 PolarHBondContact O-N 2.91Å; F175-V178 PolarHBondContact O-N 2.92Å; F175-K179 WeakPolarHBondContact O-CB 3.39Å; F175-K179 PolarHBondContact O-N 2.98Å |
| 176 | Q | 83.2 | Confident | 81.4 | Confident | 78 Ų | 78 | 98.6 Ų | 98.6 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 174.6 | -173.9 | 53.1 | 50.1 | 0 | 0 | 111.5 | E172 W174 V178 K179 D180 | E172-Q176 WeakPolarHBondContact O-CB 3.44Å; E172-Q176 PolarHBondContact O-N 2.84Å; W174-Q176 VanDerWaalsContact C-N 3.32Å; W174-Q176 PolarHBondContact O-N 3.37Å; Q176-V178 PolarHBondContact O-N 2.67Å; Q176-K179 WeakPolarHBondContact O-CB 3.35Å; Q176-K179 PolarHBondContact O-N 3.3Å; Q176-D180 PolarHBondContact NE2-OD1 3Å; Q176-D180 PolarHBondContact NE2-OD2 3.41Å; Q176-D180 VanDerWaalsContact O-CG 3.24Å; Q176-D180 PolarHBondContact O-N 2.96Å |
| 177 | S | 81.4 | Confident | 80.8 | Confident | 52 Ų | 52 | 92.7 Ų | 92.7 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 174.9 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | N173 W174 F175 D180 L181 | N173-S177 PolarHBondContact O-N 3.27Å; N173-S177 PolarHBondContact O-OG 3.38Å; W174-S177 WeakPolarHBondContact O-CB 3.25Å; W174-S177 PolarHBondContact O-N 2.96Å; W174-S177 VanDerWaalsContact O-N 3.1Å; F175-S177 VanDerWaalsContact C-N 3.32Å; F175-S177 PolarHBondContact O-N 2.91Å; S177-D180 PolarHBondContact O-N 3.31Å; S177-L181 WeakPolarHBondContact O-CG 3.5Å; S177-L181 PolarHBondContact O-N 3.21Å |
| 178 | V | 75.8 | Confident | 80.2 | Confident | 58 Ų | 58 | 93.2 Ų | 93.2 | 35% | 0.352 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | W174 F175 Q176 D180 L181 H182 | W174-V178 HydrophobicContact CD2-CG2 3.98Å; W174-V178 HydrophobicContact CE3-CG2 4.25Å; W174-V178 HydrophobicContact CH2-CG2 3.98Å; W174-V178 HydrophobicContact CZ2-CG2 3.66Å; W174-V178 HydrophobicContact CZ3-CG2 4.26Å; W174-V178 WeakPolarHBondContact O-CG2 3.38Å; W174-V178 PolarHBondContact O-N 2.85Å; F175-V178 PolarHBondContact O-N 2.92Å; Q176-V178 PolarHBondContact O-N 2.67Å; V178-D180 VanDerWaalsContact C-N 3.31Å; V178-D180 PolarHBondContact O-N 3.42Å; V178-L181 PolarHBondContact O-N 3Å; V178-H182 PolarHBondContact O-N 3.43Å |
| 179 | K | 79.8 | Confident | 79.5 | Confident | 109 Ų | 109 | 89.5 Ų | 89.5 | 47% | 0.474 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 175.9 | -172.6 | 176.9 | 179.8 | 179.4 | 0 | 111.5 | F175 Q176 H182 N183 | F175-K179 WeakPolarHBondContact O-CB 3.39Å; F175-K179 PolarHBondContact O-N 2.98Å; Q176-K179 WeakPolarHBondContact O-CB 3.35Å; Q176-K179 PolarHBondContact O-N 3.3Å; K179-H182 PolarHBondContact O-N 3.36Å; K179-N183 VanDerWaalsContact O-CG 3.28Å; K179-N183 PolarHBondContact O-N 2.92Å; K179-N183 PolarHBondContact O-ND2 3Å |
| 180 | D | 79.6 | Confident | 79 | Confident | 47 Ų | 47 | 86.4 Ų | 86.4 | 25% | 0.251 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.4 | -66.9 | -25.4 | 0 | 0 | 0 | 111.5 | Q176 S177 V178 H182 N183 E184 | Q176-D180 PolarHBondContact NE2-OD1 3Å; Q176-D180 PolarHBondContact NE2-OD2 3.41Å; Q176-D180 VanDerWaalsContact O-CG 3.24Å; Q176-D180 PolarHBondContact O-N 2.96Å; S177-D180 PolarHBondContact O-N 3.31Å; V178-D180 VanDerWaalsContact C-N 3.31Å; V178-D180 PolarHBondContact O-N 3.42Å; D180-H182 VanDerWaalsContact C-N 3.34Å; D180-H182 PolarHBondContact O-N 2.92Å; D180-N183 WeakPolarHBondContact O-CB 3.45Å; D180-N183 PolarHBondContact O-N 3.46Å; D180-E184 PolarHBondContact O-N 3.41Å |
| 181 | L | 80 | Confident | 78.6 | Confident | 102 Ų | 102 | 83.9 Ų | 83.9 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 171.9 | -73.8 | 172.2 | 0 | 0 | 0 | 112.7 | S177 V178 N183 E184 R185 | S177-L181 WeakPolarHBondContact O-CG 3.5Å; S177-L181 PolarHBondContact O-N 3.21Å; V178-L181 PolarHBondContact O-N 3Å; L181-N183 VanDerWaalsContact C-N 3.34Å; L181-E184 PolarHBondContact O-N 3.49Å; L181-R185 PolarHBondContact O-N 3.47Å |
| 182 | H | 75.5 | Confident | 78.2 | Confident | 117 Ų | 117 | 83.3 Ų | 83.3 | 54% | 0.542 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 176.5 | -168.1 | 75.5 | 0 | 0 | 0 | 111.8 | V178 K179 D180 R185 K186 | V178-H182 PolarHBondContact O-N 3.43Å; K179-H182 PolarHBondContact O-N 3.36Å; D180-H182 VanDerWaalsContact C-N 3.34Å; D180-H182 PolarHBondContact O-N 2.92Å; H182-R185 PolarHBondContact O-N 2.96Å; H182-K186 WeakPolarHBondContact O-CB 2.96Å; H182-K186 PolarHBondContact O-N 3.11Å |
| 183 | N | 79.2 | Confident | 77.6 | Confident | 72 Ų | 72 | 85.4 Ų | 85.4 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 172.7 | -69.2 | -32.6 | 0 | 0 | 0 | 111.2 | K179 D180 L181 K186 I187 | K179-N183 VanDerWaalsContact O-CG 3.28Å; K179-N183 PolarHBondContact O-N 2.92Å; K179-N183 PolarHBondContact O-ND2 3Å; D180-N183 WeakPolarHBondContact O-CB 3.45Å; D180-N183 PolarHBondContact O-N 3.46Å; L181-N183 VanDerWaalsContact C-N 3.34Å; N183-K186 PolarHBondContact O-N 3.48Å; N183-I187 VanDerWaalsContact O-CG1 3.25Å; N183-I187 WeakPolarHBondContact O-CG1 3.48Å; N183-I187 PolarHBondContact O-N 3.11Å |
| 184 | E | 76.7 | Confident | 76.8 | Confident | 65 Ų | 65 | 84 Ų | 84 | 30% | 0.304 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.3 | -48.7 | 174.7 | -173.9 | -179.7 | 174.8 | 0 | 0 | 111.5 | D180 L181 K186 I187 L188 | D180-E184 PolarHBondContact O-N 3.41Å; L181-E184 PolarHBondContact O-N 3.49Å; E184-K186 VanDerWaalsContact C-N 3.28Å; E184-K186 PolarHBondContact O-N 3.4Å; E184-I187 WeakPolarHBondContact O-CB 3.44Å; E184-I187 PolarHBondContact O-N 2.97Å; E184-I187 VanDerWaalsContact O-N 3.09Å; E184-L188 HydrophobicContact CG-CD1 4.23Å; E184-L188 WeakPolarHBondContact O-CG 3.48Å; E184-L188 PolarHBondContact O-N 2.89Å |
| 185 | R | 75.3 | Confident | 76 | Confident | 169 Ų | 169 | 82.1 Ų | 82.1 | 64% | 0.638 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.2 | -42.8 | 175.6 | -176.5 | -177.7 | 174.3 | -153.2 | -1.6 | 111.5 | L181 H182 I187 L188 T189 | L181-R185 PolarHBondContact O-N 3.47Å; H182-R185 PolarHBondContact O-N 2.96Å; R185-I187 VanDerWaalsContact C-N 3.34Å; R185-L188 PolarHBondContact O-N 3.21Å; R185-T189 PolarHBondContact O-N 3.38Å; R185-T189 PolarHBondContact O-OG1 3.36Å |
| 186 | K | 77.2 | Confident | 75.2 | Confident | 126 Ų | 126 | 78.9 Ų | 78.9 | 55% | 0.548 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.7 | -176.2 | 178.5 | 178.7 | 179.7 | 0 | 111.4 | H182 N183 E184 L188 T189 D190 | H182-K186 WeakPolarHBondContact O-CB 2.96Å; H182-K186 PolarHBondContact O-N 3.11Å; N183-K186 PolarHBondContact O-N 3.48Å; E184-K186 VanDerWaalsContact C-N 3.28Å; E184-K186 PolarHBondContact O-N 3.4Å; K186-L188 VanDerWaalsContact C-N 3.35Å; K186-T189 PolarHBondContact O-N 3.48Å; K186-D190 WeakPolarHBondContact O-CB 3.46Å; K186-D190 VanDerWaalsContact O-CG 3.27Å; K186-D190 PolarHBondContact O-N 3.46Å |
| 187 | I | 76.4 | Confident | 74 | Confident | 21 Ų | 21 | 80 Ų | 80 | 11% | 0.108 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 176.3 | -66.6 | 164.5 | 0 | 0 | 0 | 110.8 | N183 E184 R185 D190 L191 K230 F231 V234 | N183-I187 VanDerWaalsContact O-CG1 3.25Å; N183-I187 WeakPolarHBondContact O-CG1 3.48Å; N183-I187 PolarHBondContact O-N 3.11Å; E184-I187 WeakPolarHBondContact O-CB 3.44Å; E184-I187 PolarHBondContact O-N 2.97Å; E184-I187 VanDerWaalsContact O-N 3.09Å; R185-I187 VanDerWaalsContact C-N 3.34Å; I187-D190 PolarHBondContact O-N 3.03Å; I187-L191 WeakPolarHBondContact O-CG 3.47Å; I187-L191 PolarHBondContact O-N 2.94Å; I187-K230 HydrophobicContact CD1-CB 4.26Å; I187-K230 HydrophobicContact CG1-CB 4.37Å; I187-K230 HydrophobicContact CG1-CD 4.45Å; I187-K230 HydrophobicContact CG2-CB 4.38Å; I187-F231 HydrophobicContact CG2-CD2 3.76Å; I187-F231 HydrophobicContact CG2-CE2 3.17Å; I187-F231 HydrophobicContact CG2-CZ 3.69Å; I187-V234 HydrophobicContact CD1-CG2 3.99Å |
| 188 | L | 75.1 | Confident | 72.4 | Confident | 77 Ų | 77 | 82.3 Ų | 82.3 | 40% | 0.403 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.9 | -70.2 | 172 | 0 | 0 | 0 | 111.8 | E184 R185 K186 L191 I192 F231 | E184-L188 HydrophobicContact CG-CD1 4.23Å; E184-L188 WeakPolarHBondContact O-CG 3.48Å; E184-L188 PolarHBondContact O-N 2.89Å; R185-L188 PolarHBondContact O-N 3.21Å; K186-L188 VanDerWaalsContact C-N 3.35Å; L188-L191 WeakPolarHBondContact O-CB 3.49Å; L188-L191 PolarHBondContact O-N 3.03Å; L188-I192 VanDerWaalsContact O-CG1 3.31Å; L188-I192 WeakPolarHBondContact O-CG1 3.35Å; L188-I192 PolarHBondContact O-N 3.08Å; L188-F231 HydrophobicContact CD2-CZ 4.39Å |
| 189 | T | 72.8 | Confident | 70.8 | Confident | 73 Ų | 73 | 87 Ų | 87 | 45% | 0.448 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 174 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | R185 K186 L191 I192 Q193 | R185-T189 PolarHBondContact O-N 3.38Å; R185-T189 PolarHBondContact O-OG1 3.36Å; K186-T189 PolarHBondContact O-N 3.48Å; T189-L191 VanDerWaalsContact C-N 3.27Å; T189-L191 PolarHBondContact O-N 3.36Å; T189-I192 PolarHBondContact O-N 3.48Å; T189-Q193 WeakPolarHBondContact O-CB 3.34Å; T189-Q193 PolarHBondContact O-N 2.9Å |
| 190 | D | 75 | Confident | 68.6 | Low | 47 Ų | 47 | 87.7 Ų | 87.7 | 25% | 0.251 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 175.1 | -72.5 | -4.6 | 0 | 0 | 0 | 111 | K186 I187 M194 K230 | K186-D190 WeakPolarHBondContact O-CB 3.46Å; K186-D190 VanDerWaalsContact O-CG 3.27Å; K186-D190 PolarHBondContact O-N 3.46Å; I187-D190 PolarHBondContact O-N 3.03Å; D190-M194 VanDerWaalsContact O-CB 3.3Å; D190-M194 WeakPolarHBondContact O-CB 3.32Å; D190-M194 PolarHBondContact O-N 2.89Å; D190-K230 IonicContact OD2-NZ 2.73Å; D190-K230 PolarHBondContact OD2-NZ 2.88Å |
| 191 | L | 72.6 | Confident | 66.5 | Low | 29 Ų | 29 | 91.1 Ų | 91.1 | 15% | 0.152 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -66.8 | -46 | 176 | -79.5 | 179.6 | 0 | 0 | 0 | 112.6 | I187 L188 T189 Q193 M194 L195 L223 F231 | I187-L191 WeakPolarHBondContact O-CG 3.47Å; I187-L191 PolarHBondContact O-N 2.94Å; L188-L191 WeakPolarHBondContact O-CB 3.49Å; L188-L191 PolarHBondContact O-N 3.03Å; T189-L191 VanDerWaalsContact C-N 3.27Å; T189-L191 PolarHBondContact O-N 3.36Å; L191-Q193 VanDerWaalsContact C-N 3.27Å; L191-Q193 PolarHBondContact O-N 2.88Å; L191-M194 PolarHBondContact O-N 3.5Å; L191-L195 WeakPolarHBondContact O-CB 3.5Å; L191-L195 VanDerWaalsContact O-CG 3.3Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 3.32Å; L191-L223 HydrophobicContact CD2-CD1 3.73Å; L191-F231 HydrophobicContact CD1-CE2 3.41Å; L191-F231 VanDerWaalsContact CD1-CE2 3.41Å; L191-F231 HydrophobicContact CD1-CZ 3.68Å; L191-F231 HydrophobicContact CG-CE2 4.25Å |
| 192 | I | 71 | Confident | 64.4 | Low | 86 Ų | 86 | 91.9 Ų | 91.9 | 44% | 0.441 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 176.9 | -71.7 | 167.4 | 0 | 0 | 0 | 109.9 | L188 T189 L195 G196 I197 | L188-I192 VanDerWaalsContact O-CG1 3.31Å; L188-I192 WeakPolarHBondContact O-CG1 3.35Å; L188-I192 PolarHBondContact O-N 3.08Å; T189-I192 PolarHBondContact O-N 3.48Å; I192-L195 PolarHBondContact O-N 2.96Å; I192-G196 PolarHBondContact O-N 3.37Å; I192-I197 HydrophobicContact CG2-CB 4.27Å; I192-I197 VanDerWaalsContact CG2-O 3.3Å; I192-I197 WeakPolarHBondContact CG2-O 3.5Å; I192-I197 PolarHBondContact O-N 2.99Å |
| 193 | Q | 71.9 | Confident | 62.5 | Low | 151 Ų | 151 | 95.5 Ų | 95.5 | 71% | 0.706 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 175.8 | -172.4 | 178.1 | 12.6 | 0 | 0 | 111.9 | T189 L191 G196 | T189-Q193 WeakPolarHBondContact O-CB 3.34Å; T189-Q193 PolarHBondContact O-N 2.9Å; L191-Q193 VanDerWaalsContact C-N 3.27Å; L191-Q193 PolarHBondContact O-N 2.88Å; Q193-G196 PolarHBondContact O-N 3.04Å; Q193-G196 VanDerWaalsContact O-N 3.17Å |
| 194 | M | 67.8 | Low | 60.6 | Low | 48 Ų | 48 | 101.8 Ų | 101.8 | 24% | 0.236 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 178.2 | -173.9 | -177.5 | -60.8 | 0 | 0 | 112.7 | D190 L191 G196 | D190-M194 VanDerWaalsContact O-CB 3.3Å; D190-M194 WeakPolarHBondContact O-CB 3.32Å; D190-M194 PolarHBondContact O-N 2.89Å; L191-M194 PolarHBondContact O-N 3.5Å; M194-G196 PolarHBondContact O-N 3.29Å |
| 195 | L | 69.7 | Low | 58.6 | Low | 81 Ų | 81 | 106 Ų | 106 | 42% | 0.424 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75 | -6.3 | 176.7 | -69.7 | 167.8 | 0 | 0 | 0 | 112.9 | L191 I192 I197 L219 | L191-L195 WeakPolarHBondContact O-CB 3.5Å; L191-L195 VanDerWaalsContact O-CG 3.3Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 3.32Å; I192-L195 PolarHBondContact O-N 2.96Å; L195-I197 HydrophobicContact CB-CD1 3.81Å; L195-I197 HydrophobicContact CB-CG1 3.8Å; L195-I197 HydrophobicContact CD1-CD1 3.88Å; L195-I197 HydrophobicContact CG-CD1 4.48Å; L195-I197 PolarHBondContact O-N 3.4Å; L195-L219 HydrophobicContact CD2-CD2 4.08Å |
| 196 | G | 64.4 | Low | 56.6 | Low | 48 Ų | 48 | 104.2 Ų | 104.2 | 50% | 0.495 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 63.7 | 19.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I192 Q193 M194 S198 | I192-G196 PolarHBondContact O-N 3.37Å; Q193-G196 PolarHBondContact O-N 3.04Å; Q193-G196 VanDerWaalsContact O-N 3.17Å; M194-G196 PolarHBondContact O-N 3.29Å; G196-S198 PolarHBondContact O-N 3.41Å |
| 197 | I | 57.4 | Low | 54.7 | Low | 101 Ų | 101 | 105.7 Ų | 105.7 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | trans | -75.5 | 85.2 | 175.9 | -57 | 168.9 | 0 | 0 | 0 | 106.2 | I192 L195 E199 | I192-I197 HydrophobicContact CG2-CB 4.27Å; I192-I197 VanDerWaalsContact CG2-O 3.3Å; I192-I197 WeakPolarHBondContact CG2-O 3.5Å; I192-I197 PolarHBondContact O-N 2.99Å; L195-I197 HydrophobicContact CB-CD1 3.81Å; L195-I197 HydrophobicContact CB-CG1 3.8Å; L195-I197 HydrophobicContact CD1-CD1 3.88Å; L195-I197 HydrophobicContact CG-CD1 4.48Å; L195-I197 PolarHBondContact O-N 3.4Å; I197-E199 PolarHBondContact O-N 2.95Å | ||
| 198 | S | 47.1 | Very low | 52.8 | Low | 101 Ų | 101 | 109.2 Ų | 109.2 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | trans | -59 | 125.7 | 163.7 | -174.7 | 0 | 0 | 0 | 0 | 106.9 | G196 C200 | G196-S198 PolarHBondContact O-N 3.41Å; S198-C200 VanDerWaalsContact C-N 3.34Å; S198-C200 PolarHBondContact O-N 3.4Å | ||
| 199 | E | 43.3 | Very low | 51 | Low | 158 Ų | 158 | 113.6 Ų | 113.6 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | trans | -50.3 | 100.6 | 172.8 | -164.3 | 173.4 | -150.9 | 0 | 0 | 107.5 | I197 N201 | I197-E199 PolarHBondContact O-N 2.95Å; E199-N201 PolarHBondContact O-N 3.22Å | ||
| 200 | C | 33.5 | Very low | 49.2 | Very low | 122 Ų | 122 | 116.8 Ų | 116.8 | 82% | 0.824 | 63% | 0.634 | S | S | * | * | trans | -76.8 | 59 | -173.1 | -155.8 | 0 | 0 | 0 | 0 | 109.4 | S198 T202 | S198-C200 VanDerWaalsContact C-N 3.34Å; S198-C200 PolarHBondContact O-N 3.4Å; C200-T202 VanDerWaalsContact C-N 3.32Å; C200-T202 PolarHBondContact O-N 3.31Å | ||
| 201 | N | 34.1 | Very low | 47.6 | Very low | 119 Ų | 119 | 119 Ų | 119 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | trans | -83.8 | 83.9 | 155.6 | -76.8 | -34.2 | 0 | 0 | 0 | 106.1 | E199 | E199-N201 PolarHBondContact O-N 3.22Š| ||
| 202 | T | 35.8 | Very low | 45.9 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 166 | 116.5 | 137.8 | 33.8 | 0 | 0 | 0 | 0 | 110 | C200 | C200-T202 VanDerWaalsContact C-N 3.32Å; C200-T202 PolarHBondContact O-N 3.31Å |
| 203 | K | 36.9 | Very low | 44.4 | Very low | 193 Ų | 193 | 129.3 Ų | 129.3 | 84% | 0.839 | 70% | 0.698 | S | S | * | * | trans | 32.8 | 103.1 | 144.5 | -59.4 | -178.3 | 179.7 | -178.7 | 0 | 114.6 | N205 | K203-N205 VanDerWaalsContact C-N 3.32Å; K203-N205 PolarHBondContact O-N 2.92Å | ||
| 204 | E | 39.1 | Very low | 43 | Very low | 205 Ų | 205 | 128.1 Ų | 128.1 | 96% | 0.958 | 69% | 0.691 | S | S | * | * | trans | -40.5 | 102 | 157 | -77.1 | 177.8 | 148 | 0 | 0 | 109.1 | ||||
| 205 | N | 33.8 | Very low | 41.7 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | trans | -115.3 | 125.2 | 154 | -150.1 | 19.6 | 0 | 0 | 0 | 104.1 | K203 | K203-N205 VanDerWaalsContact C-N 3.32Å; K203-N205 PolarHBondContact O-N 2.92Å | ||
| 206 | D | 34.5 | Very low | 40.7 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -45.4 | 147.1 | -172.1 | -70.4 | -49.7 | 0 | 0 | 0 | 115 | ||||
| 207 | N | 37.2 | Very low | 40.1 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | trans | 64.7 | 86.7 | 149 | -56.6 | -27.9 | 0 | 0 | 0 | 117.3 | ||||
| 208 | S | 35.3 | Very low | 40.1 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | -157 | 93.3 | 129.2 | -168.7 | 0 | 0 | 0 | 0 | 110.4 | D210 | S208-D210 PolarHBondContact O-N 2.97Å; S208-D210 PolarHBondContact OG-N 2.93Å; S208-D210 PolarHBondContact OG-OD2 3.19Å | |||
| 209 | L | 37.1 | Very low | 40.3 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 89% | 0.89 | 71% | 0.708 | S | S | * | * | trans | -71.6 | 61.2 | 157 | -112.7 | 153.5 | 0 | 0 | 0 | 107.9 | S211 | L209-S211 PolarHBondContact O-N 3.5Å; L209-S211 VanDerWaalsContact O-N 3.1Å | ||
| 210 | D | 36.8 | Very low | 40.9 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | trans | -82.6 | 83.8 | 161.3 | -96.4 | -30.4 | 0 | 0 | 0 | 107 | S208 Q212 | S208-D210 PolarHBondContact O-N 2.97Å; S208-D210 PolarHBondContact OG-N 2.93Å; S208-D210 PolarHBondContact OG-OD2 3.19Å; D210-Q212 PolarHBondContact O-N 3.37Å | ||
| 211 | S | 39.5 | Very low | 42.3 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | trans | -48.4 | 81.5 | 161.9 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | L209 H213 | L209-S211 PolarHBondContact O-N 3.5Å; L209-S211 VanDerWaalsContact O-N 3.1Å; S211-H213 PolarHBondContact O-N 3.09Å; S211-H213 VanDerWaalsContact O-N 3.11Å | ||
| 212 | Q | 37.4 | Very low | 43.3 | Very low | 164 Ų | 164 | 129 Ų | 129 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | trans | -60.5 | 115.2 | 151.8 | -84.1 | -169.1 | -15 | 0 | 0 | 106.1 | D210 F214 | D210-Q212 PolarHBondContact O-N 3.37Å; Q212-F214 PolarHBondContact O-N 3.43Å | ||
| 213 | H | 39.9 | Very low | 44.2 | Very low | 168 Ų | 168 | 125.9 Ų | 125.9 | 78% | 0.778 | 65% | 0.649 | S | S | * | * | trans | -55.4 | 68 | -175 | -139.5 | -83 | 0 | 0 | 0 | 111.9 | S211 N215 | S211-H213 PolarHBondContact O-N 3.09Å; S211-H213 VanDerWaalsContact O-N 3.11Å; H213-N215 PolarHBondContact ND1-OD1 3.49Å; H213-N215 PolarHBondContact O-N 3.02Å; H213-N215 VanDerWaalsContact O-N 3.09Å | ||
| 214 | F | 42.3 | Very low | 45.4 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 55% | 0.548 | 64% | 0.636 | S | S | . | * | trans | -67.3 | 106.2 | 162.6 | -91.5 | -87.1 | 0 | 0 | 0 | 105.8 | Q212 Q216 L219 | Q212-F214 PolarHBondContact O-N 3.43Å; F214-Q216 PolarHBondContact O-N 2.96Å; F214-L219 HydrophobicContact CD1-CD1 3.92Å | ||
| 215 | N | 41.8 | Very low | 46.6 | Very low | 86 Ų | 86 | 118 Ų | 118 | 46% | 0.46 | 62% | 0.616 | S | S | . | * | trans | -58.5 | 92.9 | 172.1 | -72 | -26.9 | 0 | 0 | 0 | 108 | H213 T217 E218 | H213-N215 PolarHBondContact ND1-OD1 3.49Å; H213-N215 PolarHBondContact O-N 3.02Å; H213-N215 VanDerWaalsContact O-N 3.09Å; N215-T217 PolarHBondContact O-N 3.28Å; N215-E218 PolarHBondContact O-N 3.48Å | ||
| 216 | Q | 47.9 | Very low | 47.7 | Very low | 167 Ų | 167 | 111.9 Ų | 111.9 | 78% | 0.78 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -51.2 | -25.5 | 177.1 | -76.2 | 177.6 | -13.1 | 0 | 0 | 111.8 | F214 E218 | F214-Q216 PolarHBondContact O-N 2.96Å; Q216-E218 VanDerWaalsContact C-N 3.34Å; Q216-E218 PolarHBondContact O-N 3.07Å |
| 217 | T | 51.6 | Low | 48.8 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 76% | 0.761 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.9 | -25.3 | 178 | -16.6 | 0 | 0 | 0 | 0 | 114.6 | N215 | N215-T217 PolarHBondContact O-N 3.28Å |
| 218 | E | 56.7 | Low | 49.9 | Very low | 112 Ų | 112 | 107.7 Ų | 107.7 | 52% | 0.523 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -99.1 | -15.6 | 178.5 | -72.2 | -174.3 | 172.4 | 0 | 0 | 113.5 | N215 Q216 P221 Q222 | N215-E218 PolarHBondContact O-N 3.48Å; Q216-E218 VanDerWaalsContact C-N 3.34Å; Q216-E218 PolarHBondContact O-N 3.07Å; E218-P221 WeakPolarHBondContact O-CD 3.26Å; E218-Q222 WeakPolarHBondContact O-CB 3.34Å; E218-Q222 VanDerWaalsContact O-CG 3.25Å; E218-Q222 WeakPolarHBondContact O-CG 3.5Å; E218-Q222 PolarHBondContact O-N 3.28Å; E218-Q222 VanDerWaalsContact O-N 3.07Å |
| 219 | L | 52.2 | Low | 51.1 | Low | 40 Ų | 40 | 109.9 Ų | 109.9 | 21% | 0.209 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -71.5 | -38.6 | -172.8 | -146.6 | 140.1 | 0 | 0 | 0 | 112.1 | L195 F214 Q222 L223 | L195-L219 HydrophobicContact CD2-CD2 4.08Å; F214-L219 HydrophobicContact CD1-CD1 3.92Å; L219-Q222 PolarHBondContact O-N 2.98Å; L219-L223 VanDerWaalsContact O-CB 3.25Å; L219-L223 WeakPolarHBondContact O-CB 3.49Å; L219-L223 PolarHBondContact O-N 3.01Å |
| 220 | I | 55.7 | Low | 52.1 | Low | 113 Ų | 113 | 105.7 Ų | 105.7 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65 | -50.5 | 176.7 | -62.6 | 175.9 | 0 | 0 | 0 | 111.2 | Q222 L223 E224 | I220-Q222 VanDerWaalsContact C-N 3.34Å; I220-Q222 PolarHBondContact O-N 3.41Å; I220-L223 PolarHBondContact O-N 2.86Å; I220-E224 WeakPolarHBondContact O-CG 3.37Å; I220-E224 PolarHBondContact O-N 3.38Å |
| 221 | P | 62.2 | Low | 52.5 | Low | 69 Ų | 69 | 100.7 Ų | 100.7 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58 | -40.9 | 173.5 | -25.1 | 31.1 | 0 | 0 | 0 | 113.9 | E218 E224 Q225 | E218-P221 WeakPolarHBondContact O-CD 3.26Å; P221-E224 PolarHBondContact O-N 3Å; P221-Q225 VanDerWaalsContact O-CB 3.25Å; P221-Q225 WeakPolarHBondContact O-CB 3.48Å; P221-Q225 PolarHBondContact O-N 3.45Å |
| 222 | Q | 56.3 | Low | 53.2 | Low | 86 Ų | 86 | 98.8 Ų | 98.8 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 178.2 | -74.5 | 178.6 | 15.8 | 0 | 0 | 112.3 | E218 L219 I220 S226 | E218-Q222 WeakPolarHBondContact O-CB 3.34Å; E218-Q222 VanDerWaalsContact O-CG 3.25Å; E218-Q222 WeakPolarHBondContact O-CG 3.5Å; E218-Q222 PolarHBondContact O-N 3.28Å; E218-Q222 VanDerWaalsContact O-N 3.07Å; L219-Q222 PolarHBondContact O-N 2.98Å; I220-Q222 VanDerWaalsContact C-N 3.34Å; I220-Q222 PolarHBondContact O-N 3.41Å; Q222-S226 VanDerWaalsContact O-CB 3.23Å; Q222-S226 WeakPolarHBondContact O-CB 3.38Å; Q222-S226 PolarHBondContact O-N 3.33Å; Q222-S226 PolarHBondContact O-OG 3.17Å |
| 223 | L | 54 | Low | 53.9 | Low | 52 Ų | 52 | 93.9 Ų | 93.9 | 27% | 0.272 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.1 | -48.3 | 174.2 | -168.8 | 82.7 | 0 | 0 | 0 | 110.6 | L191 L219 I220 Q225 S226 I227 | L191-L223 HydrophobicContact CD2-CD1 3.73Å; L219-L223 VanDerWaalsContact O-CB 3.25Å; L219-L223 WeakPolarHBondContact O-CB 3.49Å; L219-L223 PolarHBondContact O-N 3.01Å; I220-L223 PolarHBondContact O-N 2.86Å; L223-Q225 PolarHBondContact O-N 3.13Å; L223-S226 PolarHBondContact O-N 2.88Å; L223-I227 HydrophobicContact CD2-CD1 4.18Å; L223-I227 HydrophobicContact CG-CD1 3.9Å; L223-I227 WeakPolarHBondContact O-CB 3.49Å; L223-I227 VanDerWaalsContact O-CG1 3.25Å; L223-I227 WeakPolarHBondContact O-CG1 3.42Å; L223-I227 PolarHBondContact O-N 3.23Å |
| 224 | E | 62.3 | Low | 54.3 | Low | 118 Ų | 118 | 87.5 Ų | 87.5 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.2 | -46 | 176.4 | -77.2 | -175.6 | 163.3 | 0 | 0 | 111.6 | I220 P221 S226 I227 L228 | I220-E224 WeakPolarHBondContact O-CG 3.37Å; I220-E224 PolarHBondContact O-N 3.38Å; P221-E224 PolarHBondContact O-N 3Å; E224-S226 VanDerWaalsContact C-N 3.32Å; E224-S226 PolarHBondContact O-N 3.37Å; E224-I227 PolarHBondContact O-N 2.84Å; E224-L228 WeakPolarHBondContact O-CB 3.36Å; E224-L228 PolarHBondContact O-N 3.14Å |
| 225 | Q | 63.3 | Low | 54.3 | Low | 115 Ų | 115 | 88.8 Ų | 88.8 | 54% | 0.537 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.7 | -171.5 | 175.3 | 4.6 | 0 | 0 | 111.6 | P221 L223 L228 Q229 | P221-Q225 VanDerWaalsContact O-CB 3.25Å; P221-Q225 WeakPolarHBondContact O-CB 3.48Å; P221-Q225 PolarHBondContact O-N 3.45Å; L223-Q225 PolarHBondContact O-N 3.13Å; Q225-L228 PolarHBondContact O-N 3.37Å; Q225-Q229 WeakPolarHBondContact O-CB 3.37Å; Q225-Q229 WeakPolarHBondContact O-CG 3.23Å; Q225-Q229 PolarHBondContact O-N 3.33Å |
| 226 | S | 57.7 | Low | 54.7 | Low | 23 Ų | 23 | 91.1 Ų | 91.1 | 16% | 0.161 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | Q222 L223 E224 K230 | Q222-S226 VanDerWaalsContact O-CB 3.23Å; Q222-S226 WeakPolarHBondContact O-CB 3.38Å; Q222-S226 PolarHBondContact O-N 3.33Å; Q222-S226 PolarHBondContact O-OG 3.17Å; L223-S226 PolarHBondContact O-N 2.88Å; E224-S226 VanDerWaalsContact C-N 3.32Å; E224-S226 PolarHBondContact O-N 3.37Å; S226-K230 WeakPolarHBondContact O-CA 3.39Å; S226-K230 VanDerWaalsContact O-CB 3.22Å; S226-K230 WeakPolarHBondContact O-CB 3.4Å; S226-K230 PolarHBondContact O-N 3.4Å |
| 227 | I | 58.1 | Low | 54.6 | Low | 78 Ų | 78 | 92.4 Ų | 92.4 | 40% | 0.4 | 47% | 0.465 | S | S | . | . | I | π-helix | trans | -64.2 | -46.8 | 174.3 | -69.2 | 166.4 | 0 | 0 | 0 | 109.9 | L223 E224 F231 S232 | L223-I227 HydrophobicContact CD2-CD1 4.18Å; L223-I227 HydrophobicContact CG-CD1 3.9Å; L223-I227 WeakPolarHBondContact O-CB 3.49Å; L223-I227 VanDerWaalsContact O-CG1 3.25Å; L223-I227 WeakPolarHBondContact O-CG1 3.42Å; L223-I227 PolarHBondContact O-N 3.23Å; E224-I227 PolarHBondContact O-N 2.84Å; I227-F231 HydrophobicContact CG1-CD2 4.4Å; I227-F231 HydrophobicContact CG2-CB 4.14Å; I227-F231 CarbonylContact O-C 3.59Å; I227-F231 WeakPolarHBondContact O-CA 3.34Å; I227-F231 WeakPolarHBondContact O-CB 3.35Å; I227-F231 PolarHBondContact O-N 2.94Å; I227-S232 PolarHBondContact O-N 3.49Å |
| 228 | L | 60.9 | Low | 53.9 | Low | 124 Ų | 124 | 89.7 Ų | 89.7 | 65% | 0.649 | 45% | 0.445 | S | S | * | . | I | π-helix | trans | -64.5 | -43.9 | 179.1 | -83.5 | 158.8 | 0 | 0 | 0 | 112.8 | E224 Q225 S232 | E224-L228 WeakPolarHBondContact O-CB 3.36Å; E224-L228 PolarHBondContact O-N 3.14Å; Q225-L228 PolarHBondContact O-N 3.37Å; L228-S232 VanDerWaalsContact O-CB 3.22Å; L228-S232 WeakPolarHBondContact O-CB 3.18Å |
| 229 | Q | 59.4 | Low | 53 | Low | 141 Ų | 141 | 91.4 Ų | 91.4 | 66% | 0.659 | 46% | 0.456 | S | S | * | . | I | π-helix | trans | -79.8 | -41.3 | -178.3 | -72.6 | -160.4 | -10.6 | 0 | 0 | 113.8 | Q225 | Q225-Q229 WeakPolarHBondContact O-CB 3.37Å; Q225-Q229 WeakPolarHBondContact O-CG 3.23Å; Q225-Q229 PolarHBondContact O-N 3.33Å |
| 230 | K | 57.8 | Low | 52.3 | Low | 82 Ų | 82 | 94.3 Ų | 94.3 | 36% | 0.357 | 48% | 0.475 | S | S | . | . | I | π-helix | trans | -97.8 | -40.5 | -173.8 | -60.8 | -175.2 | 173.8 | -178.9 | 0 | 113.1 | I187 D190 S226 V234 | I187-K230 HydrophobicContact CD1-CB 4.26Å; I187-K230 HydrophobicContact CG1-CB 4.37Å; I187-K230 HydrophobicContact CG1-CD 4.45Å; I187-K230 HydrophobicContact CG2-CB 4.38Å; D190-K230 IonicContact OD2-NZ 2.73Å; D190-K230 PolarHBondContact OD2-NZ 2.88Å; S226-K230 WeakPolarHBondContact O-CA 3.39Å; S226-K230 VanDerWaalsContact O-CB 3.22Å; S226-K230 WeakPolarHBondContact O-CB 3.4Å; S226-K230 PolarHBondContact O-N 3.4Å; K230-V234 VanDerWaalsContact O-CG2 3.27Å; K230-V234 WeakPolarHBondContact O-CG2 3.46Å |
| 231 | F | 45.7 | Very low | 51.4 | Low | 33 Ų | 33 | 96.1 Ų | 96.1 | 15% | 0.145 | 49% | 0.486 | C | S | . | . | I | π-helix | trans | -85.4 | -39.4 | -175.6 | -88.4 | -94.2 | 0 | 0 | 0 | 114 | I187 L188 L191 I227 P233 V234 F235 | I187-F231 HydrophobicContact CG2-CD2 3.76Å; I187-F231 HydrophobicContact CG2-CE2 3.17Å; I187-F231 HydrophobicContact CG2-CZ 3.69Å; L188-F231 HydrophobicContact CD2-CZ 4.39Å; L191-F231 HydrophobicContact CD1-CE2 3.41Å; L191-F231 VanDerWaalsContact CD1-CE2 3.41Å; L191-F231 HydrophobicContact CD1-CZ 3.68Å; L191-F231 HydrophobicContact CG-CE2 4.25Å; I227-F231 HydrophobicContact CG1-CD2 4.4Å; I227-F231 HydrophobicContact CG2-CB 4.14Å; I227-F231 CarbonylContact O-C 3.59Å; I227-F231 WeakPolarHBondContact O-CA 3.34Å; I227-F231 WeakPolarHBondContact O-CB 3.35Å; I227-F231 PolarHBondContact O-N 2.94Å; F231-P233 VanDerWaalsContact C-CD 3.48Å; F231-V234 PolarHBondContact O-N 3.41Å; F231-F235 HydrophobicContact CB-CD2 4.43Å; F231-F235 AromaticContact CD1-CD2 3.78Å; F231-F235 HydrophobicContact CD1-CD2 3.78Å; F231-F235 AromaticContact CD1-CE2 3.69Å; F231-F235 HydrophobicContact CD1-CE2 3.69Å; F231-F235 HydrophobicContact CE1-CE2 4.2Å; F231-F235 PolarHBondContact O-N 3.49Å |
| 232 | S | 53.7 | Low | 50.2 | Low | 55 Ų | 55 | 96.3 Ų | 96.3 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.8 | -40.9 | -177.4 | -167 | 0 | 0 | 0 | 0 | 113.8 | I227 L228 V234 N236 | I227-S232 PolarHBondContact O-N 3.49Å; L228-S232 VanDerWaalsContact O-CB 3.22Å; L228-S232 WeakPolarHBondContact O-CB 3.18Å; S232-V234 VanDerWaalsContact C-N 3.33Å; S232-V234 PolarHBondContact O-N 2.95Å; S232-N236 PolarHBondContact O-N 3.3Å; S232-N236 PolarHBondContact O-ND2 2.98Å |
| 233 | P | 53 | Low | 49.1 | Very low | 60 Ų | 60 | 98 Ų | 98 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70 | -27.8 | 174.9 | -16.8 | 30.8 | 0 | 0 | 0 | 113.9 | F231 R237 | F231-P233 VanDerWaalsContact C-CD 3.48Å; P233-R237 WeakPolarHBondContact O-CD 3.2Å; P233-R237 VanDerWaalsContact O-CG 3.24Å; P233-R237 WeakPolarHBondContact O-CG 3.37Å |
| 234 | V | 48.6 | Very low | 48.2 | Very low | 34 Ų | 34 | 100.4 Ų | 100.4 | 21% | 0.206 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -82.8 | -46.6 | -174.9 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | I187 K230 F231 S232 N236 R237 L238 | I187-V234 HydrophobicContact CD1-CG2 3.99Å; K230-V234 VanDerWaalsContact O-CG2 3.27Å; K230-V234 WeakPolarHBondContact O-CG2 3.46Å; F231-V234 PolarHBondContact O-N 3.41Å; S232-V234 VanDerWaalsContact C-N 3.33Å; S232-V234 PolarHBondContact O-N 2.95Å; V234-N236 VanDerWaalsContact C-N 3.28Å; V234-N236 PolarHBondContact O-N 3.18Å; V234-R237 PolarHBondContact O-N 3.48Å; V234-R237 VanDerWaalsContact O-N 3.09Å; V234-L238 HydrophobicContact CG1-CD1 3.72Å; V234-L238 PolarHBondContact O-N 3.01Å |
| 235 | F | 42.5 | Very low | 47.2 | Very low | 153 Ų | 153 | 100.6 Ų | 100.6 | 67% | 0.671 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.9 | -36.8 | 176.4 | -105.3 | -79.6 | 0 | 0 | 0 | 112.7 | F231 R237 | F231-F235 HydrophobicContact CB-CD2 4.43Å; F231-F235 AromaticContact CD1-CD2 3.78Å; F231-F235 HydrophobicContact CD1-CD2 3.78Å; F231-F235 AromaticContact CD1-CE2 3.69Å; F231-F235 HydrophobicContact CD1-CE2 3.69Å; F231-F235 HydrophobicContact CE1-CE2 4.2Å; F231-F235 PolarHBondContact O-N 3.49Å; F235-R237 VanDerWaalsContact C-N 3.27Å; F235-R237 PolarHBondContact O-N 2.92Å |
| 236 | N | 50 | Low | 46.2 | Very low | 134 Ų | 134 | 102.5 Ų | 102.5 | 72% | 0.717 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -12 | 179.3 | -73.1 | -44.5 | 0 | 0 | 0 | 114 | S232 V234 | S232-N236 PolarHBondContact O-N 3.3Å; S232-N236 PolarHBondContact O-ND2 2.98Å; V234-N236 VanDerWaalsContact C-N 3.28Å; V234-N236 PolarHBondContact O-N 3.18Å |
| 237 | R | 44.9 | Very low | 45.6 | Very low | 195 Ų | 195 | 106.8 Ų | 106.8 | 74% | 0.736 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -22.7 | -179.7 | -74.3 | 176.1 | -176.4 | -162.1 | 0.6 | 113.5 | P233 V234 F235 I239 | P233-R237 WeakPolarHBondContact O-CD 3.2Å; P233-R237 VanDerWaalsContact O-CG 3.24Å; P233-R237 WeakPolarHBondContact O-CG 3.37Å; V234-R237 PolarHBondContact O-N 3.48Å; V234-R237 VanDerWaalsContact O-N 3.09Å; F235-R237 VanDerWaalsContact C-N 3.27Å; F235-R237 PolarHBondContact O-N 2.92Å; R237-I239 PolarHBondContact O-N 3.17Å |
| 238 | L | 37.1 | Very low | 44.8 | Very low | 66 Ų | 66 | 108.7 Ų | 108.7 | 35% | 0.346 | 57% | 0.573 | S | S | . | * | trans | -86.6 | 88.9 | -174.1 | -85.3 | 159.5 | 0 | 0 | 0 | 110.6 | V234 V240 | V234-L238 HydrophobicContact CG1-CD1 3.72Å; V234-L238 PolarHBondContact O-N 3.01Å; L238-V240 HydrophobicContact CB-CG2 3.73Å; L238-V240 HydrophobicContact CD2-CG2 3.76Å; L238-V240 HydrophobicContact CG-CG2 4.28Å; L238-V240 PolarHBondContact O-N 3.26Å | ||
| 239 | I | 37.9 | Very low | 44.3 | Very low | 149 Ų | 149 | 112 Ų | 112 | 76% | 0.764 | 59% | 0.585 | S | S | * | * | trans | -73.2 | 79.4 | 155.6 | -56.1 | 177.5 | 0 | 0 | 0 | 106.4 | R237 N241 | R237-I239 PolarHBondContact O-N 3.17Å; I239-N241 HydrophobicContact CG2-CB 3.98Å; I239-N241 PolarHBondContact O-N 3.37Å | ||
| 240 | V | 37.3 | Very low | 44 | Very low | 100 Ų | 100 | 110.1 Ų | 110.1 | 61% | 0.606 | 58% | 0.58 | S | S | * | * | trans | -80.1 | 52.8 | 170.5 | -160.3 | 0 | 0 | 0 | 0 | 109.4 | L238 | L238-V240 HydrophobicContact CB-CG2 3.73Å; L238-V240 HydrophobicContact CD2-CG2 3.76Å; L238-V240 HydrophobicContact CG-CG2 4.28Å; L238-V240 PolarHBondContact O-N 3.26Å | ||
| 241 | N | 36.4 | Very low | 43.7 | Very low | 152 Ų | 152 | 109.2 Ų | 109.2 | 81% | 0.813 | 58% | 0.581 | S | S | * | * | trans | -112.8 | 81.4 | 169.5 | -72.8 | -14 | 0 | 0 | 0 | 107.1 | I239 | I239-N241 HydrophobicContact CG2-CB 3.98Å; I239-N241 PolarHBondContact O-N 3.37Å | ||
| 242 | G | 37 | Very low | 44.3 | Very low | 72 Ų | 72 | 112.1 Ų | 112.1 | 74% | 0.742 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 164.2 | -15.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | N244 | G242-N244 PolarHBondContact O-N 2.86Š|
| 243 | I | 33 | Very low | 44.7 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 63% | 0.631 | 61% | 0.614 | S | S | * | * | trans | -93.5 | 87.7 | -177.9 | -43.5 | -177.3 | 0 | 0 | 0 | 109.5 | L245 | I243-L245 HydrophobicContact CG2-CD1 4.45Å; I243-L245 HydrophobicContact CG2-CD2 3.7Å; I243-L245 HydrophobicContact CG2-CG 3.76Å; I243-L245 PolarHBondContact O-N 3.47Å | ||
| 244 | N | 34.7 | Very low | 44.8 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 54% | 0.54 | 61% | 0.613 | S | S | . | * | trans | -76.7 | 101.5 | 166.1 | -174.1 | -6 | 0 | 0 | 0 | 108.5 | G242 D246 | G242-N244 PolarHBondContact O-N 2.86Å; N244-D246 WeakPolarHBondContact OD1-CB 3.24Å; N244-D246 PolarHBondContact OD1-N 3.34Å | ||
| 245 | L | 41.6 | Very low | 45.5 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 64% | 0.644 | 62% | 0.622 | S | S | * | * | trans | -87.4 | -1.6 | -179.6 | -71.1 | 170.3 | 0 | 0 | 0 | 113.4 | I243 T247 | I243-L245 HydrophobicContact CG2-CD1 4.45Å; I243-L245 HydrophobicContact CG2-CD2 3.7Å; I243-L245 HydrophobicContact CG2-CG 3.76Å; I243-L245 PolarHBondContact O-N 3.47Å; L245-T247 PolarHBondContact O-N 2.91Å; L245-T247 VanDerWaalsContact O-N 3.1Å | ||
| 246 | D | 42.5 | Very low | 46.8 | Very low | 154 Ų | 154 | 117.4 Ų | 117.4 | 82% | 0.824 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -9.4 | -171 | -69 | -20.7 | 0 | 0 | 0 | 114.2 | N244 | N244-D246 WeakPolarHBondContact OD1-CB 3.24Å; N244-D246 PolarHBondContact OD1-N 3.34Å |
| 247 | T | 45.5 | Very low | 47.5 | Very low | 113 Ų | 113 | 115 Ų | 115 | 69% | 0.693 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 4.7 | -171.4 | 10.6 | 0 | 0 | 0 | 0 | 116.4 | L245 | L245-T247 PolarHBondContact O-N 2.91Å; L245-T247 VanDerWaalsContact O-N 3.1Å |
| 248 | F | 42.4 | Very low | 48 | Very low | 118 Ų | 118 | 107.5 Ų | 107.5 | 52% | 0.518 | 58% | 0.577 | S | S | . | * | trans | -106.9 | 79.1 | -171.1 | -66 | -89.2 | 0 | 0 | 0 | 113.6 | N250 V251 | F248-N250 PolarHBondContact O-N 3.39Å; F248-V251 HydrophobicContact CB-CG2 3.24Å; F248-V251 HydrophobicContact CG-CG2 4.11Å | ||
| 249 | E | 50.4 | Low | 49.4 | Very low | 194 Ų | 194 | 107.5 Ų | 107.5 | 91% | 0.907 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -12.5 | 164.9 | -110.7 | 177.6 | 168.7 | 0 | 0 | 113 | ||
| 250 | N | 51.8 | Low | 50.7 | Low | 102 Ų | 102 | 105 Ų | 105 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.1 | 12.6 | -173.8 | -77.6 | -22.3 | 0 | 0 | 0 | 115.7 | F248 S252 Y253 D254 | F248-N250 PolarHBondContact O-N 3.39Å; N250-S252 PolarHBondContact O-N 2.98Å; N250-S252 VanDerWaalsContact O-N 3.13Å; N250-Y253 PolarHBondContact O-N 2.87Å; N250-D254 PolarHBondContact O-N 3.32Å |
| 251 | V | 52.4 | Low | 51.6 | Low | 62 Ų | 62 | 104 Ų | 104 | 38% | 0.376 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -51 | -42.3 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | F248 Y253 D254 L255 | F248-V251 HydrophobicContact CB-CG2 3.24Å; F248-V251 HydrophobicContact CG-CG2 4.11Å; V251-Y253 VanDerWaalsContact C-N 3.32Å; V251-Y253 PolarHBondContact O-N 2.92Å; V251-D254 PolarHBondContact O-N 3.35Å; V251-L255 HydrophobicContact CG1-CD1 3.7Å; V251-L255 HydrophobicContact CG1-CG 4.03Å; V251-L255 WeakPolarHBondContact O-CB 3.41Å; V251-L255 VanDerWaalsContact O-CG 3.23Å; V251-L255 WeakPolarHBondContact O-CG 3.46Å; V251-L255 PolarHBondContact O-N 3.26Å |
| 252 | S | 57.9 | Low | 52.6 | Low | 95 Ų | 95 | 99.5 Ų | 99.5 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.2 | -37 | -179.3 | -52.9 | 0 | 0 | 0 | 0 | 112.9 | N250 Q256 | N250-S252 PolarHBondContact O-N 2.98Å; N250-S252 VanDerWaalsContact O-N 3.13Å; S252-Q256 WeakPolarHBondContact O-CB 3.5Å; S252-Q256 PolarHBondContact O-N 3.4Å; S252-Q256 VanDerWaalsContact O-N 3.11Å |
| 253 | Y | 62 | Low | 53.9 | Low | 141 Ų | 141 | 98.7 Ų | 98.7 | 55% | 0.553 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.5 | -41.8 | 177.8 | 178.3 | -105 | 0 | 0 | 0 | 111.6 | N250 V251 Q256 Q257 | N250-Y253 PolarHBondContact O-N 2.87Å; V251-Y253 VanDerWaalsContact C-N 3.32Å; V251-Y253 PolarHBondContact O-N 2.92Å; Y253-Q256 WeakPolarHBondContact O-CB 3.31Å; Y253-Q256 PolarHBondContact O-N 2.92Å; Y253-Q257 HydrophobicContact CE1-CG 4.39Å; Y253-Q257 VanDerWaalsContact CZ-NE2 3.33Å; Y253-Q257 PolarHBondContact O-N 3.5Å; Y253-Q257 PolarHBondContact OH-NE2 2.83Å |
| 254 | D | 54.2 | Low | 54.9 | Low | 70 Ų | 70 | 98.6 Ų | 98.6 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 176.6 | -66.2 | -25.3 | 0 | 0 | 0 | 110.4 | N250 V251 Q256 Q257 L258 | N250-D254 PolarHBondContact O-N 3.32Å; V251-D254 PolarHBondContact O-N 3.35Å; D254-Q256 VanDerWaalsContact C-N 3.28Å; D254-Q256 PolarHBondContact O-N 2.94Å; D254-Q257 PolarHBondContact O-N 2.95Å; D254-L258 WeakPolarHBondContact O-CB 3.24Å; D254-L258 WeakPolarHBondContact O-CD1 3.48Å; D254-L258 WeakPolarHBondContact O-CG 3.4Å; D254-L258 PolarHBondContact O-N 2.96Å |
| 255 | L | 64.3 | Low | 55.6 | Low | 77 Ų | 77 | 99.2 Ų | 99.2 | 40% | 0.403 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.5 | -36.1 | 174 | -73.6 | 175.7 | 0 | 0 | 0 | 112.9 | W174 V251 L258 S259 | W174-L255 HydrophobicContact CH2-CD2 3.94Å; W174-L255 HydrophobicContact CZ2-CD2 3.81Å; V251-L255 HydrophobicContact CG1-CD1 3.7Å; V251-L255 HydrophobicContact CG1-CG 4.03Å; V251-L255 WeakPolarHBondContact O-CB 3.41Å; V251-L255 VanDerWaalsContact O-CG 3.23Å; V251-L255 WeakPolarHBondContact O-CG 3.46Å; V251-L255 PolarHBondContact O-N 3.26Å; L255-L258 PolarHBondContact O-N 3.43Å; L255-S259 PolarHBondContact O-N 3.28Å |
| 256 | Q | 69.3 | Low | 56.4 | Low | 125 Ų | 125 | 97.7 Ų | 97.7 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.7 | -50.2 | 175.9 | -167.4 | 92.8 | 32.7 | 0 | 0 | 111.2 | S252 Y253 D254 L258 S259 D260 | S252-Q256 WeakPolarHBondContact O-CB 3.5Å; S252-Q256 PolarHBondContact O-N 3.4Å; S252-Q256 VanDerWaalsContact O-N 3.11Å; Y253-Q256 WeakPolarHBondContact O-CB 3.31Å; Y253-Q256 PolarHBondContact O-N 2.92Å; D254-Q256 VanDerWaalsContact C-N 3.28Å; D254-Q256 PolarHBondContact O-N 2.94Å; Q256-L258 PolarHBondContact O-N 2.94Å; Q256-S259 WeakPolarHBondContact O-CB 3.37Å; Q256-S259 PolarHBondContact O-N 3.42Å; Q256-S259 VanDerWaalsContact O-N 3.09Å; Q256-D260 PolarHBondContact O-N 3.31Å |
| 257 | Q | 64.4 | Low | 57 | Low | 83 Ų | 83 | 96.4 Ų | 96.4 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.6 | -33.2 | 175.4 | -80.6 | -161.5 | 67.8 | 0 | 0 | 112 | Y253 D254 D260 I261 | Y253-Q257 HydrophobicContact CE1-CG 4.39Å; Y253-Q257 VanDerWaalsContact CZ-NE2 3.33Å; Y253-Q257 PolarHBondContact O-N 3.5Å; Y253-Q257 PolarHBondContact OH-NE2 2.83Å; D254-Q257 PolarHBondContact O-N 2.95Å; Q257-D260 PolarHBondContact O-N 3.47Å; Q257-I261 VanDerWaalsContact O-CG1 3.31Å; Q257-I261 WeakPolarHBondContact O-CG1 3.34Å; Q257-I261 PolarHBondContact O-N 3.42Å |
| 258 | L | 56.3 | Low | 57.4 | Low | 38 Ų | 38 | 94.1 Ų | 94.1 | 20% | 0.199 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -72.1 | -37.4 | 176.9 | -70.6 | 162.1 | 0 | 0 | 0 | 113.1 | W171 D254 L255 Q256 D260 I261 A262 | W171-L258 HydrophobicContact CD2-CD2 4.34Å; W171-L258 HydrophobicContact CH2-CD1 3.04Å; W171-L258 HydrophobicContact CH2-CD2 3.34Å; W171-L258 HydrophobicContact CH2-CG 3.75Å; W171-L258 HydrophobicContact CZ2-CD1 3.68Å; W171-L258 HydrophobicContact CZ2-CD2 2.99Å; W171-L258 HydrophobicContact CZ2-CG 3.91Å; W171-L258 HydrophobicContact CZ3-CD1 3.67Å; W171-L258 HydrophobicContact CZ3-CD2 4.05Å; W171-L258 HydrophobicContact CZ3-CG 4.38Å; D254-L258 WeakPolarHBondContact O-CB 3.24Å; D254-L258 WeakPolarHBondContact O-CD1 3.48Å; D254-L258 WeakPolarHBondContact O-CG 3.4Å; D254-L258 PolarHBondContact O-N 2.96Å; L255-L258 PolarHBondContact O-N 3.43Å; Q256-L258 PolarHBondContact O-N 2.94Å; L258-D260 PolarHBondContact O-N 3.49Å; L258-I261 PolarHBondContact O-N 3.24Å; L258-A262 WeakPolarHBondContact O-CB 3.31Å; L258-A262 PolarHBondContact O-N 3.44Å |
| 259 | S | 65.9 | Low | 58.1 | Low | 66 Ų | 66 | 90.7 Ų | 90.7 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 168.9 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | L255 Q256 S263 | L255-S259 PolarHBondContact O-N 3.28Å; Q256-S259 WeakPolarHBondContact O-CB 3.37Å; Q256-S259 PolarHBondContact O-N 3.42Å; Q256-S259 VanDerWaalsContact O-N 3.09Å; S259-S263 WeakPolarHBondContact O-CB 3.42Å; S259-S263 PolarHBondContact O-N 2.9Å; S259-S263 PolarHBondContact O-OG 3.46Å |
| 260 | D | 66.6 | Low | 58.7 | Low | 95 Ų | 95 | 88.9 Ų | 88.9 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.3 | -44 | 179.6 | -63.6 | -21.3 | 0 | 0 | 0 | 112.1 | Q256 Q257 L258 S263 L264 | Q256-D260 PolarHBondContact O-N 3.31Å; Q257-D260 PolarHBondContact O-N 3.47Å; L258-D260 PolarHBondContact O-N 3.49Å; D260-S263 WeakPolarHBondContact O-CB 3.43Å; D260-S263 PolarHBondContact O-N 3.46Å; D260-L264 PolarHBondContact O-N 2.89Å |
| 261 | I | 56.2 | Low | 59.3 | Low | 81 Ų | 81 | 89.5 Ų | 89.5 | 42% | 0.415 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 176.1 | -68.5 | 167.4 | 0 | 0 | 0 | 110.7 | Q257 L258 S263 L264 F265 | Q257-I261 VanDerWaalsContact O-CG1 3.31Å; Q257-I261 WeakPolarHBondContact O-CG1 3.34Å; Q257-I261 PolarHBondContact O-N 3.42Å; L258-I261 PolarHBondContact O-N 3.24Å; I261-S263 PolarHBondContact O-N 3.38Å; I261-L264 WeakPolarHBondContact O-CA 3.23Å; I261-L264 VanDerWaalsContact O-CB 3.25Å; I261-L264 WeakPolarHBondContact O-CB 3.47Å; I261-L264 PolarHBondContact O-N 3.47Å; I261-F265 HydrophobicContact CG2-CD2 3.65Å; I261-F265 HydrophobicContact CG2-CE2 3.62Å; I261-F265 VanDerWaalsContact O-CD2 3.28Å; I261-F265 WeakPolarHBondContact O-CD2 3.39Å; I261-F265 PolarHBondContact O-N 3.49Å |
| 262 | A | 56.5 | Low | 59.8 | Low | 57 Ų | 57 | 89.6 Ų | 89.6 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -34.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L258 L264 F265 S266 | L258-A262 WeakPolarHBondContact O-CB 3.31Å; L258-A262 PolarHBondContact O-N 3.44Å; A262-L264 VanDerWaalsContact C-N 3.33Å; A262-F265 PolarHBondContact O-N 2.94Å; A262-S266 WeakPolarHBondContact O-CB 3.3Å; A262-S266 PolarHBondContact O-N 2.94Å |
| 263 | S | 64 | Low | 60 | Low | 54 Ų | 54 | 90.2 Ų | 90.2 | 38% | 0.378 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -37 | 172.1 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | S259 D260 I261 S266 N267 | S259-S263 WeakPolarHBondContact O-CB 3.42Å; S259-S263 PolarHBondContact O-N 2.9Å; S259-S263 PolarHBondContact O-OG 3.46Å; D260-S263 WeakPolarHBondContact O-CB 3.43Å; D260-S263 PolarHBondContact O-N 3.46Å; I261-S263 PolarHBondContact O-N 3.38Å; S263-S266 WeakPolarHBondContact CA-OG 3.43Å; S263-S266 PolarHBondContact O-OG 3.34Å; S263-N267 VanDerWaalsContact O-CG 3.26Å; S263-N267 PolarHBondContact O-N 3.29Å; S263-N267 PolarHBondContact O-ND2 3.41Å; S263-N267 VanDerWaalsContact O-ND2 3.12Å |
| 264 | L | 53.6 | Low | 60.3 | Low | 122 Ų | 122 | 87.1 Ų | 87.1 | 64% | 0.639 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 174.8 | -147.2 | 85.8 | 0 | 0 | 0 | 111 | D260 I261 A262 N267 | D260-L264 PolarHBondContact O-N 2.89Å; I261-L264 WeakPolarHBondContact O-CA 3.23Å; I261-L264 VanDerWaalsContact O-CB 3.25Å; I261-L264 WeakPolarHBondContact O-CB 3.47Å; I261-L264 PolarHBondContact O-N 3.47Å; A262-L264 VanDerWaalsContact C-N 3.33Å; L264-N267 PolarHBondContact O-N 2.93Å |
| 265 | F | 51 | Low | 61 | Low | 113 Ų | 113 | 86.9 Ų | 86.9 | 50% | 0.496 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -74.8 | -31.9 | 177.5 | -81.2 | -76.4 | 0 | 0 | 0 | 113.5 | I261 A262 N267 I268 | I261-F265 HydrophobicContact CG2-CD2 3.65Å; I261-F265 HydrophobicContact CG2-CE2 3.62Å; I261-F265 VanDerWaalsContact O-CD2 3.28Å; I261-F265 WeakPolarHBondContact O-CD2 3.39Å; I261-F265 PolarHBondContact O-N 3.49Å; A262-F265 PolarHBondContact O-N 2.94Å; F265-N267 PolarHBondContact O-N 2.87Å; F265-I268 HydrophobicContact CD1-CD1 3.86Å; F265-I268 HydrophobicContact CE1-CD1 4.17Å; F265-I268 PolarHBondContact O-N 2.92Å; F265-I268 VanDerWaalsContact O-N 3.1Å |
| 266 | S | 58 | Low | 61.1 | Low | 91 Ų | 91 | 89.7 Ų | 89.7 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.8 | -22 | 174.9 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | A262 S263 | A262-S266 WeakPolarHBondContact O-CB 3.3Å; A262-S266 PolarHBondContact O-N 2.94Å; S263-S266 WeakPolarHBondContact CA-OG 3.43Å; S263-S266 PolarHBondContact O-OG 3.34Å |
| 267 | N | 54.8 | Low | 61.2 | Low | 128 Ų | 128 | 89.8 Ų | 89.8 | 68% | 0.684 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -14.2 | 175.8 | -67.2 | -23.3 | 0 | 0 | 0 | 113.2 | S263 L264 F265 S269 | S263-N267 VanDerWaalsContact O-CG 3.26Å; S263-N267 PolarHBondContact O-N 3.29Å; S263-N267 PolarHBondContact O-ND2 3.41Å; S263-N267 VanDerWaalsContact O-ND2 3.12Å; L264-N267 PolarHBondContact O-N 2.93Å; F265-N267 PolarHBondContact O-N 2.87Å; N267-S269 PolarHBondContact O-N 2.75Å |
| 268 | I | 52.8 | Low | 61.6 | Low | 64 Ų | 64 | 91.8 Ų | 91.8 | 33% | 0.328 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -80.1 | 106.7 | 172.2 | -60 | 175.2 | 0 | 0 | 0 | 106 | F265 D272 L273 | F265-I268 HydrophobicContact CD1-CD1 3.86Å; F265-I268 HydrophobicContact CE1-CD1 4.17Å; F265-I268 PolarHBondContact O-N 2.92Å; F265-I268 VanDerWaalsContact O-N 3.1Å; I268-D272 HydrophobicContact CG2-CB 3.79Å; I268-L273 HydrophobicContact CG2-CG 4.28Å |
| 269 | S | 57.1 | Low | 62.2 | Low | 47 Ų | 47 | 94.4 Ų | 94.4 | 33% | 0.329 | 51% | 0.51 | S | S | . | . | trans | -68.5 | 153.2 | 177.9 | 68.2 | 0 | 0 | 0 | 0 | 110.1 | N267 N271 D272 L273 | N267-S269 PolarHBondContact O-N 2.75Å; S269-N271 PolarHBondContact O-N 2.95Å; S269-N271 VanDerWaalsContact O-N 3.16Å; S269-D272 WeakPolarHBondContact CB-OD2 3.42Å; S269-D272 PolarHBondContact N-OD2 2.93Å; S269-D272 WeakPolarHBondContact O-CA 3.46Å; S269-D272 WeakPolarHBondContact O-CB 3.33Å; S269-D272 PolarHBondContact O-N 3.36Å; S269-D272 PolarHBondContact OG-N 3.28Å; S269-D272 PolarHBondContact OG-OD2 3.4Å; S269-L273 PolarHBondContact O-N 3.43Å | ||
| 270 | E | 63.9 | Low | 62.5 | Low | 155 Ų | 155 | 93.6 Ų | 93.6 | 72% | 0.724 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -53.6 | -33.8 | 172.9 | -167.2 | 169.6 | -167.5 | 0 | 0 | 111.2 | D272 L273 D274 | E270-D272 VanDerWaalsContact C-N 3.28Å; E270-D272 PolarHBondContact O-N 3.44Å; E270-L273 WeakPolarHBondContact O-CB 3.26Å; E270-L273 PolarHBondContact O-N 2.97Å; E270-D274 PolarHBondContact O-N 2.9Å |
| 271 | N | 65.1 | Low | 63.1 | Low | 115 Ų | 115 | 93.2 Ų | 93.2 | 62% | 0.615 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.2 | -33 | 172.6 | -60.2 | -28.8 | 0 | 0 | 0 | 113.4 | S269 S275 | S269-N271 PolarHBondContact O-N 2.95Å; S269-N271 VanDerWaalsContact O-N 3.16Å; N271-S275 VanDerWaalsContact O-CB 3.32Å; N271-S275 WeakPolarHBondContact O-CB 3.43Å; N271-S275 PolarHBondContact O-N 2.92Å; N271-S275 PolarHBondContact O-OG 3.36Å |
| 272 | D | 61.8 | Low | 64.1 | Low | 65 Ų | 65 | 95.6 Ų | 95.6 | 35% | 0.348 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.1 | -38.9 | 177.7 | -61.9 | -51.5 | 0 | 0 | 0 | 110.5 | I268 S269 E270 S275 F276 | I268-D272 HydrophobicContact CG2-CB 3.79Å; S269-D272 WeakPolarHBondContact CB-OD2 3.42Å; S269-D272 PolarHBondContact N-OD2 2.93Å; S269-D272 WeakPolarHBondContact O-CA 3.46Å; S269-D272 WeakPolarHBondContact O-CB 3.33Å; S269-D272 PolarHBondContact O-N 3.36Å; S269-D272 PolarHBondContact OG-N 3.28Å; S269-D272 PolarHBondContact OG-OD2 3.4Å; E270-D272 VanDerWaalsContact C-N 3.28Å; E270-D272 PolarHBondContact O-N 3.44Å; D272-S275 WeakPolarHBondContact O-CB 3.14Å; D272-S275 PolarHBondContact O-N 2.97Å; D272-F276 HydrophobicContact CB-CE2 4.49Å; D272-F276 WeakPolarHBondContact O-CD2 3.47Å; D272-F276 PolarHBondContact O-N 3.37Å |
| 273 | L | 62.6 | Low | 64.8 | Low | 108 Ų | 108 | 96.3 Ų | 96.3 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -45.7 | 173.5 | -76 | 167.5 | 0 | 0 | 0 | 111.3 | I268 S269 E270 S275 F276 E277 | I268-L273 HydrophobicContact CG2-CG 4.28Å; S269-L273 PolarHBondContact O-N 3.43Å; E270-L273 WeakPolarHBondContact O-CB 3.26Å; E270-L273 PolarHBondContact O-N 2.97Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 3.36Å; L273-F276 PolarHBondContact O-N 3.44Å; L273-E277 PolarHBondContact O-N 2.97Å |
| 274 | D | 68.7 | Low | 65.5 | Low | 76 Ų | 76 | 98.3 Ų | 98.3 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 174.5 | -70.8 | -18.4 | 0 | 0 | 0 | 111.5 | E270 E277 Q278 | E270-D274 PolarHBondContact O-N 2.9Å; D274-E277 PolarHBondContact O-N 2.72Å; D274-Q278 WeakPolarHBondContact O-CB 3.28Å; D274-Q278 WeakPolarHBondContact O-CG 3.34Å; D274-Q278 PolarHBondContact O-N 2.67Å |
| 275 | S | 68.1 | Low | 66.6 | Low | 65 Ų | 65 | 97.6 Ų | 97.6 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | N271 D272 L273 L279 | N271-S275 VanDerWaalsContact O-CB 3.32Å; N271-S275 WeakPolarHBondContact O-CB 3.43Å; N271-S275 PolarHBondContact O-N 2.92Å; N271-S275 PolarHBondContact O-OG 3.36Å; D272-S275 WeakPolarHBondContact O-CB 3.14Å; D272-S275 PolarHBondContact O-N 2.97Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 3.36Å; S275-L279 WeakPolarHBondContact O-CB 3.47Å; S275-L279 PolarHBondContact O-N 2.93Å |
| 276 | F | 66.1 | Low | 67.6 | Low | 135 Ų | 135 | 98.3 Ų | 98.3 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.3 | -36.3 | 175.1 | -76.4 | -60.4 | 0 | 0 | 0 | 112.5 | D272 L273 A280 | D272-F276 HydrophobicContact CB-CE2 4.49Å; D272-F276 WeakPolarHBondContact O-CD2 3.47Å; D272-F276 PolarHBondContact O-N 3.37Å; L273-F276 PolarHBondContact O-N 3.44Å; F276-A280 WeakPolarHBondContact O-CB 3.43Å; F276-A280 PolarHBondContact O-N 3.28Å |
| 277 | E | 71.8 | Confident | 68.1 | Low | 128 Ų | 128 | 96.3 Ų | 96.3 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67 | -46.3 | 174.5 | -170.1 | 163.2 | -165.1 | 0 | 0 | 111.1 | L273 D274 L279 A280 D281 | L273-E277 PolarHBondContact O-N 2.97Å; D274-E277 PolarHBondContact O-N 2.72Å; E277-L279 VanDerWaalsContact C-N 3.33Å; E277-L279 PolarHBondContact O-N 3.46Å; E277-A280 WeakPolarHBondContact O-CB 3.27Å; E277-A280 PolarHBondContact O-N 3.37Å; E277-A280 VanDerWaalsContact O-N 3.11Å; E277-D281 PolarHBondContact O-N 3.26Å |
| 278 | Q | 72.9 | Confident | 69.1 | Low | 125 Ų | 125 | 94.3 Ų | 94.3 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.4 | -42.9 | 174.2 | -74.4 | 177.8 | 17.7 | 0 | 0 | 112.5 | D274 A280 D281 E282 | D274-Q278 WeakPolarHBondContact O-CB 3.28Å; D274-Q278 WeakPolarHBondContact O-CG 3.34Å; D274-Q278 PolarHBondContact O-N 2.67Å; Q278-A280 VanDerWaalsContact C-N 3.34Å; Q278-A280 PolarHBondContact O-N 3.43Å; Q278-D281 PolarHBondContact O-N 2.85Å; Q278-E282 PolarHBondContact O-N 3.28Å |
| 279 | L | 68.5 | Low | 70 | Confident | 93 Ų | 93 | 95.4 Ų | 95.4 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.3 | -179.3 | 63.2 | 0 | 0 | 0 | 111.7 | S275 E277 D281 E282 V283 | S275-L279 WeakPolarHBondContact O-CB 3.47Å; S275-L279 PolarHBondContact O-N 2.93Å; E277-L279 VanDerWaalsContact C-N 3.33Å; E277-L279 PolarHBondContact O-N 3.46Å; L279-D281 VanDerWaalsContact C-N 3.31Å; L279-D281 PolarHBondContact O-N 3.18Å; L279-E282 PolarHBondContact O-N 3.16Å; L279-V283 HydrophobicContact CD1-CG2 4.46Å; L279-V283 VanDerWaalsContact O-CG2 3.26Å; L279-V283 WeakPolarHBondContact O-CG2 3.3Å; L279-V283 PolarHBondContact O-N 3.04Å |
| 280 | A | 71.7 | Confident | 70.3 | Confident | 49 Ų | 49 | 96.5 Ų | 96.5 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F276 E277 Q278 V283 N284 | F276-A280 WeakPolarHBondContact O-CB 3.43Å; F276-A280 PolarHBondContact O-N 3.28Å; E277-A280 WeakPolarHBondContact O-CB 3.27Å; E277-A280 PolarHBondContact O-N 3.37Å; E277-A280 VanDerWaalsContact O-N 3.11Å; Q278-A280 VanDerWaalsContact C-N 3.34Å; Q278-A280 PolarHBondContact O-N 3.43Å; A280-V283 PolarHBondContact O-N 2.87Å; A280-N284 PolarHBondContact O-N 2.84Å; A280-N284 PolarHBondContact O-ND2 3.39Å |
| 281 | D | 80.2 | Confident | 70.6 | Confident | 87 Ų | 87 | 95.5 Ų | 95.5 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 175.7 | -74.8 | -17.5 | 0 | 0 | 0 | 112.4 | E277 Q278 L279 V283 N284 N285 | E277-D281 PolarHBondContact O-N 3.26Å; Q278-D281 PolarHBondContact O-N 2.85Å; L279-D281 VanDerWaalsContact C-N 3.31Å; L279-D281 PolarHBondContact O-N 3.18Å; D281-V283 PolarHBondContact O-N 3.13Å; D281-N284 PolarHBondContact O-N 3.44Å; D281-N285 WeakPolarHBondContact O-CB 3.37Å; D281-N285 VanDerWaalsContact O-CG 3.27Å; D281-N285 PolarHBondContact O-N 2.87Å; D281-N285 PolarHBondContact O-ND2 3.17Å; D281-N285 VanDerWaalsContact O-ND2 3.08Å |
| 282 | E | 76 | Confident | 70.8 | Confident | 130 Ų | 130 | 95.1 Ų | 95.1 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 174.4 | -77.8 | -174.1 | 176.3 | 0 | 0 | 112.3 | Q278 L279 N284 N285 F286 | Q278-E282 PolarHBondContact O-N 3.28Å; L279-E282 PolarHBondContact O-N 3.16Å; E282-N284 VanDerWaalsContact C-N 3.35Å; E282-N284 PolarHBondContact O-N 2.93Å; E282-N285 PolarHBondContact O-N 2.78Å; E282-F286 WeakPolarHBondContact O-CB 3.44Å; E282-F286 PolarHBondContact O-N 3.42Å |
| 283 | V | 71.4 | Confident | 71.2 | Confident | 72 Ų | 72 | 97.3 Ų | 97.3 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 177.1 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | L279 A280 D281 F286 A287 | L279-V283 HydrophobicContact CD1-CG2 4.46Å; L279-V283 VanDerWaalsContact O-CG2 3.26Å; L279-V283 WeakPolarHBondContact O-CG2 3.3Å; L279-V283 PolarHBondContact O-N 3.04Å; A280-V283 PolarHBondContact O-N 2.87Å; D281-V283 PolarHBondContact O-N 3.13Å; V283-F286 PolarHBondContact O-N 2.68Å; V283-A287 WeakPolarHBondContact O-CB 3.42Å; V283-A287 PolarHBondContact O-N 3.42Å |
| 284 | N | 78.4 | Confident | 71 | Confident | 96 Ų | 96 | 95 Ų | 95 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 175.2 | -78.1 | -30.4 | 0 | 0 | 0 | 111.8 | A280 D281 E282 F286 A287 D288 | A280-N284 PolarHBondContact O-N 2.84Å; A280-N284 PolarHBondContact O-ND2 3.39Å; D281-N284 PolarHBondContact O-N 3.44Å; E282-N284 VanDerWaalsContact C-N 3.35Å; E282-N284 PolarHBondContact O-N 2.93Å; N284-F286 VanDerWaalsContact C-N 3.31Å; N284-F286 PolarHBondContact O-N 2.76Å; N284-A287 WeakPolarHBondContact O-CB 3.17Å; N284-A287 PolarHBondContact O-N 2.9Å; N284-D288 PolarHBondContact O-N 2.93Å |
| 285 | N | 76.9 | Confident | 70.6 | Confident | 107 Ų | 107 | 99 Ų | 99 | 57% | 0.572 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.2 | -39.2 | 177.7 | -75.1 | -38.5 | 0 | 0 | 0 | 112.3 | D281 E282 D288 H289 | D281-N285 WeakPolarHBondContact O-CB 3.37Å; D281-N285 VanDerWaalsContact O-CG 3.27Å; D281-N285 PolarHBondContact O-N 2.87Å; D281-N285 PolarHBondContact O-ND2 3.17Å; D281-N285 VanDerWaalsContact O-ND2 3.08Å; E282-N285 PolarHBondContact O-N 2.78Å; N285-D288 PolarHBondContact O-N 2.91Å; N285-H289 WeakPolarHBondContact O-CB 3.3Å; N285-H289 PolarHBondContact O-N 3.18Å |
| 286 | F | 71.8 | Confident | 70.6 | Confident | 129 Ų | 129 | 98.6 Ų | 98.6 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67 | -41.2 | 176 | -179.2 | -108.6 | 0 | 0 | 0 | 112.2 | E282 V283 N284 H289 L290 | E282-F286 WeakPolarHBondContact O-CB 3.44Å; E282-F286 PolarHBondContact O-N 3.42Å; V283-F286 PolarHBondContact O-N 2.68Å; N284-F286 VanDerWaalsContact C-N 3.31Å; N284-F286 PolarHBondContact O-N 2.76Å; F286-H289 PolarHBondContact O-N 2.9Å; F286-L290 HydrophobicContact CD1-CD1 3.85Å; F286-L290 HydrophobicContact CE1-CD1 3.33Å; F286-L290 HydrophobicContact CE1-CG 4.15Å; F286-L290 HydrophobicContact CE2-CD1 4.45Å; F286-L290 HydrophobicContact CE2-CG 4.43Å; F286-L290 HydrophobicContact CZ-CD1 3.67Å; F286-L290 HydrophobicContact CZ-CD2 4.5Å; F286-L290 HydrophobicContact CZ-CG 4.06Å; F286-L290 PolarHBondContact O-N 2.9Å |
| 287 | A | 69.6 | Low | 70.7 | Confident | 49 Ų | 49 | 97.5 Ų | 97.5 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V283 N284 H289 L290 Q291 | V283-A287 WeakPolarHBondContact O-CB 3.42Å; V283-A287 PolarHBondContact O-N 3.42Å; N284-A287 WeakPolarHBondContact O-CB 3.17Å; N284-A287 PolarHBondContact O-N 2.9Å; A287-H289 VanDerWaalsContact C-N 3.34Å; A287-H289 PolarHBondContact O-N 3.43Å; A287-L290 PolarHBondContact O-N 3.43Å; A287-Q291 WeakPolarHBondContact O-CB 3.37Å; A287-Q291 PolarHBondContact O-N 3.45Å |
| 288 | D | 75.2 | Confident | 70.3 | Confident | 85 Ų | 85 | 95.5 Ų | 95.5 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 175.8 | -78.6 | -16.8 | 0 | 0 | 0 | 112.1 | N284 N285 Q291 N292 | N284-D288 PolarHBondContact O-N 2.93Å; N285-D288 PolarHBondContact O-N 2.91Å; D288-Q291 PolarHBondContact O-N 3.39Å; D288-N292 VanDerWaalsContact O-CB 3.23Å; D288-N292 WeakPolarHBondContact O-CB 3.44Å; D288-N292 VanDerWaalsContact O-CG 3.29Å; D288-N292 PolarHBondContact O-N 3.35Å; D288-N292 PolarHBondContact O-ND2 3.33Å |
| 289 | H | 72.3 | Confident | 70.1 | Confident | 87 Ų | 87 | 92.8 Ų | 92.8 | 40% | 0.403 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 177.1 | -168.3 | 81.1 | 0 | 0 | 0 | 112.2 | N285 F286 A287 Q291 Q293 I294 | N285-H289 WeakPolarHBondContact O-CB 3.3Å; N285-H289 PolarHBondContact O-N 3.18Å; F286-H289 PolarHBondContact O-N 2.9Å; A287-H289 VanDerWaalsContact C-N 3.34Å; A287-H289 PolarHBondContact O-N 3.43Å; H289-Q291 VanDerWaalsContact C-N 3.34Å; H289-Q291 PolarHBondContact O-N 2.95Å; H289-Q293 VanDerWaalsContact CE1-CD 3.49Å; H289-Q293 PolarHBondContact CE1-OE1 3.09Å; H289-Q293 PolarHBondContact O-N 3.45Å; H289-I294 PolarHBondContact O-N 3.15Å |
| 290 | L | 62.3 | Low | 70.1 | Confident | 70 Ų | 70 | 91.7 Ų | 91.7 | 37% | 0.366 | 48% | 0.475 | S | S | . | . | I | π-helix | trans | -59.2 | -45.8 | 173.9 | -84.5 | 168.9 | 0 | 0 | 0 | 111.7 | F286 A287 I294 Y295 | F286-L290 HydrophobicContact CD1-CD1 3.85Å; F286-L290 HydrophobicContact CE1-CD1 3.33Å; F286-L290 HydrophobicContact CE1-CG 4.15Å; F286-L290 HydrophobicContact CE2-CD1 4.45Å; F286-L290 HydrophobicContact CE2-CG 4.43Å; F286-L290 HydrophobicContact CZ-CD1 3.67Å; F286-L290 HydrophobicContact CZ-CD2 4.5Å; F286-L290 HydrophobicContact CZ-CG 4.06Å; F286-L290 PolarHBondContact O-N 2.9Å; A287-L290 PolarHBondContact O-N 3.43Å; L290-I294 HydrophobicContact CD2-CB 4.22Å; L290-I294 HydrophobicContact CD2-CD1 3.56Å; L290-I294 HydrophobicContact CD2-CG1 4.45Å; L290-I294 HydrophobicContact CD2-CG2 4.25Å; L290-I294 HydrophobicContact CG-CD1 4.21Å; L290-Y295 PolarHBondContact O-N 2.82Å |
| 291 | Q | 70.7 | Confident | 69.8 | Low | 135 Ų | 135 | 94.1 Ų | 94.1 | 63% | 0.631 | 48% | 0.478 | S | S | * | . | I | π-helix | trans | -71.1 | -40.8 | -177.1 | -176.4 | 170.2 | -12.1 | 0 | 0 | 112.8 | A287 D288 H289 P296 | A287-Q291 WeakPolarHBondContact O-CB 3.37Å; A287-Q291 PolarHBondContact O-N 3.45Å; D288-Q291 PolarHBondContact O-N 3.39Å; H289-Q291 VanDerWaalsContact C-N 3.34Å; H289-Q291 PolarHBondContact O-N 2.95Å; Q291-P296 WeakPolarHBondContact O-CD 3.36Å |
| 292 | N | 70.7 | Confident | 68.9 | Low | 107 Ų | 107 | 96.4 Ų | 96.4 | 57% | 0.572 | 48% | 0.481 | S | S | * | . | I | π-helix | trans | -92.4 | -26 | -170.5 | -66 | -43.5 | 0 | 0 | 0 | 114.2 | D288 P296 | D288-N292 VanDerWaalsContact O-CB 3.23Å; D288-N292 WeakPolarHBondContact O-CB 3.44Å; D288-N292 VanDerWaalsContact O-CG 3.29Å; D288-N292 PolarHBondContact O-N 3.35Å; D288-N292 PolarHBondContact O-ND2 3.33Å; N292-P296 WeakPolarHBondContact O-CG 3.46Å |
| 293 | Q | 68.4 | Low | 68.7 | Low | 110 Ų | 110 | 95.4 Ų | 95.4 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -115.5 | -56.1 | -177 | -65.6 | -166.4 | 0.7 | 0 | 0 | 112.6 | H289 P296 Q297 | H289-Q293 VanDerWaalsContact CE1-CD 3.49Å; H289-Q293 PolarHBondContact CE1-OE1 3.09Å; H289-Q293 PolarHBondContact O-N 3.45Å; Q293-P296 WeakPolarHBondContact O-CD 3.4Å; Q293-Q297 WeakPolarHBondContact O-CB 3.48Å; Q293-Q297 PolarHBondContact O-N 3.24Å |
| 294 | I | 59.4 | Low | 68.7 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | I | π-helix | trans | -68.3 | -45.7 | -170.5 | -64.1 | 170.7 | 0 | 0 | 0 | 110.7 | H289 L290 Q297 N298 | H289-I294 PolarHBondContact O-N 3.15Å; L290-I294 HydrophobicContact CD2-CB 4.22Å; L290-I294 HydrophobicContact CD2-CD1 3.56Å; L290-I294 HydrophobicContact CD2-CG1 4.45Å; L290-I294 HydrophobicContact CD2-CG2 4.25Å; L290-I294 HydrophobicContact CG-CD1 4.21Å; I294-Q297 PolarHBondContact O-N 2.89Å; I294-N298 WeakPolarHBondContact O-CB 3.45Å; I294-N298 VanDerWaalsContact O-CG 3.26Å; I294-N298 PolarHBondContact O-N 3.4Å; I294-N298 PolarHBondContact O-ND2 2.89Å |
| 295 | Y | 59.1 | Low | 68.2 | Low | 159 Ų | 159 | 97.5 Ų | 97.5 | 62% | 0.624 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.2 | -49.3 | -178.5 | -168.7 | -100.5 | 0 | 0 | 0 | 113 | L290 Q297 N298 I299 | L290-Y295 PolarHBondContact O-N 2.82Å; Y295-Q297 PolarHBondContact O-N 3.28Å; Y295-N298 PolarHBondContact O-N 2.9Å; Y295-I299 HydrophobicContact CD1-CD1 3.63Å; Y295-I299 HydrophobicContact CE1-CD1 3.31Å; Y295-I299 HydrophobicContact CE1-CG1 4.33Å; Y295-I299 HydrophobicContact CG-CD1 4.48Å; Y295-I299 WeakPolarHBondContact O-CG1 3.39Å; Y295-I299 PolarHBondContact O-N 3.43Å; Y295-I299 VanDerWaalsContact O-N 3.09Å |
| 296 | P | 68.3 | Low | 67.8 | Low | 58 Ų | 58 | 95.8 Ų | 95.8 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 175.8 | -25.3 | 37 | 0 | 0 | 0 | 113.3 | Q291 N292 Q293 I299 V300 | Q291-P296 WeakPolarHBondContact O-CD 3.36Å; N292-P296 WeakPolarHBondContact O-CG 3.46Å; Q293-P296 WeakPolarHBondContact O-CD 3.4Å; P296-I299 PolarHBondContact O-N 2.96Å; P296-V300 WeakPolarHBondContact O-CG2 3.41Å; P296-V300 PolarHBondContact O-N 3.47Å |
| 297 | Q | 68.2 | Low | 67.7 | Low | 112 Ų | 112 | 95.3 Ų | 95.3 | 52% | 0.523 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 178.9 | -172.6 | 172.7 | 8.3 | 0 | 0 | 111.8 | Q293 I294 Y295 I299 V300 Q301 | Q293-Q297 WeakPolarHBondContact O-CB 3.48Å; Q293-Q297 PolarHBondContact O-N 3.24Å; I294-Q297 PolarHBondContact O-N 2.89Å; Y295-Q297 PolarHBondContact O-N 3.28Å; Q297-I299 VanDerWaalsContact C-N 3.33Å; Q297-I299 PolarHBondContact O-N 3.3Å; Q297-V300 PolarHBondContact O-N 2.89Å; Q297-Q301 WeakPolarHBondContact O-CG 3.29Å; Q297-Q301 PolarHBondContact O-N 3.04Å |
| 298 | N | 63.8 | Low | 67.6 | Low | 86 Ų | 86 | 97.1 Ų | 97.1 | 46% | 0.46 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 175.7 | -74.4 | -18.2 | 0 | 0 | 0 | 112.2 | I294 Y295 Y302 | I294-N298 WeakPolarHBondContact O-CB 3.45Å; I294-N298 VanDerWaalsContact O-CG 3.26Å; I294-N298 PolarHBondContact O-N 3.4Å; I294-N298 PolarHBondContact O-ND2 2.89Å; Y295-N298 PolarHBondContact O-N 2.9Å; N298-Y302 WeakPolarHBondContact O-CB 3.28Å; N298-Y302 PolarHBondContact O-N 3.33Å |
| 299 | I | 68.5 | Low | 66.8 | Low | 67 Ų | 67 | 94.8 Ų | 94.8 | 34% | 0.344 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 173.4 | -70.9 | 169.9 | 0 | 0 | 0 | 110.5 | Y295 P296 Q297 Q301 Y302 E303 | Y295-I299 HydrophobicContact CD1-CD1 3.63Å; Y295-I299 HydrophobicContact CE1-CD1 3.31Å; Y295-I299 HydrophobicContact CE1-CG1 4.33Å; Y295-I299 HydrophobicContact CG-CD1 4.48Å; Y295-I299 WeakPolarHBondContact O-CG1 3.39Å; Y295-I299 PolarHBondContact O-N 3.43Å; Y295-I299 VanDerWaalsContact O-N 3.09Å; P296-I299 PolarHBondContact O-N 2.96Å; Q297-I299 VanDerWaalsContact C-N 3.33Å; Q297-I299 PolarHBondContact O-N 3.3Å; I299-Q301 VanDerWaalsContact C-N 3.33Å; I299-Q301 PolarHBondContact O-N 3.41Å; I299-Y302 WeakPolarHBondContact O-CB 3.29Å; I299-Y302 PolarHBondContact O-N 3.38Å; I299-E303 HydrophobicContact CG2-CG 4.44Å; I299-E303 WeakPolarHBondContact O-CG 3.28Å; I299-E303 PolarHBondContact O-N 3.34Å |
| 300 | V | 69.3 | Low | 66.5 | Low | 71 Ų | 71 | 96.8 Ų | 96.8 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 179.6 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | P296 Q297 Y302 E303 Q304 | P296-V300 WeakPolarHBondContact O-CG2 3.41Å; P296-V300 PolarHBondContact O-N 3.47Å; Q297-V300 PolarHBondContact O-N 2.89Å; V300-Y302 VanDerWaalsContact C-N 3.34Å; V300-Y302 PolarHBondContact O-N 3.42Å; V300-E303 PolarHBondContact O-N 3.34Å; V300-Q304 HydrophobicContact CG1-CG 4.48Å; V300-Q304 WeakPolarHBondContact O-CB 3.35Å; V300-Q304 VanDerWaalsContact O-CG 3.31Å; V300-Q304 WeakPolarHBondContact O-CG 3.44Å; V300-Q304 PolarHBondContact O-N 3.16Å |
| 301 | Q | 64.9 | Low | 67.2 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.1 | -74 | 178.9 | -1.5 | 0 | 0 | 112.1 | Q297 I299 Q304 L305 | Q297-Q301 WeakPolarHBondContact O-CG 3.29Å; Q297-Q301 PolarHBondContact O-N 3.04Å; I299-Q301 VanDerWaalsContact C-N 3.33Å; I299-Q301 PolarHBondContact O-N 3.41Å; Q301-Q304 PolarHBondContact O-N 2.92Å; Q301-L305 WeakPolarHBondContact O-CB 3.4Å; Q301-L305 PolarHBondContact O-N 3.45Å |
| 302 | Y | 62.5 | Low | 67.4 | Low | 135 Ų | 135 | 97.4 Ų | 97.4 | 53% | 0.529 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 175 | 179.9 | -98.3 | 0 | 0 | 0 | 111.7 | N298 I299 V300 Q304 L305 M306 | N298-Y302 WeakPolarHBondContact O-CB 3.28Å; N298-Y302 PolarHBondContact O-N 3.33Å; I299-Y302 WeakPolarHBondContact O-CB 3.29Å; I299-Y302 PolarHBondContact O-N 3.38Å; V300-Y302 VanDerWaalsContact C-N 3.34Å; V300-Y302 PolarHBondContact O-N 3.42Å; Y302-Q304 PolarHBondContact O-N 2.9Å; Y302-L305 PolarHBondContact O-N 2.87Å; Y302-M306 HydrophobicContact CD1-CG 4.21Å; Y302-M306 HydrophobicContact CE1-CG 3.8Å; Y302-M306 HydrophobicContact CE2-CG 4.33Å; Y302-M306 HydrophobicContact CE2-SD 4.48Å; Y302-M306 VanDerWaalsContact O-CG 3.3Å; Y302-M306 WeakPolarHBondContact O-CG 3.38Å; Y302-M306 PolarHBondContact O-N 2.87Å |
| 303 | E | 70.6 | Confident | 67.4 | Low | 108 Ų | 108 | 96.6 Ų | 96.6 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.9 | -73.4 | -178.4 | 169.8 | 0 | 0 | 112.2 | I299 V300 M306 Q307 | I299-E303 HydrophobicContact CG2-CG 4.44Å; I299-E303 WeakPolarHBondContact O-CG 3.28Å; I299-E303 PolarHBondContact O-N 3.34Å; V300-E303 PolarHBondContact O-N 3.34Å; E303-M306 PolarHBondContact O-N 3.46Å; E303-Q307 WeakPolarHBondContact O-CG 3.39Å; E303-Q307 PolarHBondContact O-N 3.46Å |
| 304 | Q | 72.4 | Confident | 67.5 | Low | 110 Ų | 110 | 97.3 Ų | 97.3 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 175.5 | -74.7 | 175.6 | -5.4 | 0 | 0 | 111.9 | V300 Q301 Y302 M306 Q307 C308 | V300-Q304 HydrophobicContact CG1-CG 4.48Å; V300-Q304 WeakPolarHBondContact O-CB 3.35Å; V300-Q304 VanDerWaalsContact O-CG 3.31Å; V300-Q304 WeakPolarHBondContact O-CG 3.44Å; V300-Q304 PolarHBondContact O-N 3.16Å; Q301-Q304 PolarHBondContact O-N 2.92Å; Y302-Q304 PolarHBondContact O-N 2.9Å; Q304-M306 VanDerWaalsContact C-N 3.3Å; Q304-M306 PolarHBondContact O-N 3.21Å; Q304-Q307 PolarHBondContact O-N 3.48Å; Q304-C308 PolarHBondContact O-N 3.15Å; Q304-C308 PolarHBondContact O-SG 3.14Å |
| 305 | L | 66.9 | Low | 68.2 | Low | 102 Ų | 102 | 100.8 Ų | 100.8 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 175.5 | -179.2 | 65.7 | 0 | 0 | 0 | 110.8 | Q301 Y302 Q307 C308 L309 | Q301-L305 WeakPolarHBondContact O-CB 3.4Å; Q301-L305 PolarHBondContact O-N 3.45Å; Y302-L305 PolarHBondContact O-N 2.87Å; L305-Q307 PolarHBondContact O-N 3.42Å; L305-C308 PolarHBondContact O-N 2.71Å; L305-L309 HydrophobicContact CD1-CD1 4.43Å; L305-L309 HydrophobicContact CG-CD1 4.02Å; L305-L309 WeakPolarHBondContact O-CB 3.47Å; L305-L309 WeakPolarHBondContact O-CD1 3.05Å; L305-L309 VanDerWaalsContact O-CG 3.27Å; L305-L309 WeakPolarHBondContact O-CG 3.37Å; L305-L309 PolarHBondContact O-N 3.32Å |
| 306 | M | 67.9 | Low | 68.8 | Low | 71 Ų | 71 | 96 Ų | 96 | 35% | 0.35 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 177.6 | -71.8 | -58.4 | -63.4 | 0 | 0 | 112.7 | Y302 E303 Q304 L309 Q310 | Y302-M306 HydrophobicContact CD1-CG 4.21Å; Y302-M306 HydrophobicContact CE1-CG 3.8Å; Y302-M306 HydrophobicContact CE2-CG 4.33Å; Y302-M306 HydrophobicContact CE2-SD 4.48Å; Y302-M306 VanDerWaalsContact O-CG 3.3Å; Y302-M306 WeakPolarHBondContact O-CG 3.38Å; Y302-M306 PolarHBondContact O-N 2.87Å; E303-M306 PolarHBondContact O-N 3.46Å; Q304-M306 VanDerWaalsContact C-N 3.3Å; Q304-M306 PolarHBondContact O-N 3.21Å; M306-L309 PolarHBondContact O-N 2.8Å; M306-L309 HydrophobicContact SD-CD1 4.16Å; M306-Q310 WeakPolarHBondContact O-CG 3.32Å; M306-Q310 PolarHBondContact O-N 3.33Å |
| 307 | Q | 71.3 | Confident | 68.8 | Low | 119 Ų | 119 | 96.5 Ų | 96.5 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66 | -43.3 | 174.6 | -74.6 | 178.9 | 3.9 | 0 | 0 | 112.4 | E303 Q304 L305 L309 Q310 T311 | E303-Q307 WeakPolarHBondContact O-CG 3.39Å; E303-Q307 PolarHBondContact O-N 3.46Å; Q304-Q307 PolarHBondContact O-N 3.48Å; L305-Q307 PolarHBondContact O-N 3.42Å; Q307-L309 VanDerWaalsContact C-N 3.3Å; Q307-L309 PolarHBondContact O-N 2.9Å; Q307-Q310 PolarHBondContact O-N 3.38Å; Q307-T311 WeakPolarHBondContact O-CB 3.46Å; Q307-T311 PolarHBondContact O-N 2.87Å; Q307-T311 PolarHBondContact O-OG1 2.77Å |
| 308 | C | 66.3 | Low | 68.9 | Low | 87 Ų | 87 | 95 Ų | 95 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.7 | -43.6 | 174.4 | -75.8 | 0 | 0 | 0 | 0 | 111.3 | Q304 L305 T311 F312 | Q304-C308 PolarHBondContact O-N 3.15Å; Q304-C308 PolarHBondContact O-SG 3.14Å; L305-C308 PolarHBondContact O-N 2.71Å; C308-T311 PolarHBondContact O-N 3.17Å; C308-F312 WeakPolarHBondContact O-CB 3.5Å; C308-F312 PolarHBondContact O-N 3.37Å |
| 309 | L | 59.2 | Low | 69.3 | Low | 36 Ų | 36 | 94.8 Ų | 94.8 | 19% | 0.188 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 177.4 | -76.1 | 162.7 | 0 | 0 | 0 | 112.5 | W125 L305 M306 Q307 T311 F312 I313 | W125-L309 HydrophobicContact CH2-CD2 3.45Å; W125-L309 VanDerWaalsContact CH2-CD2 3.45Å; W125-L309 HydrophobicContact CZ2-CD2 3.83Å; L305-L309 HydrophobicContact CD1-CD1 4.43Å; L305-L309 HydrophobicContact CG-CD1 4.02Å; L305-L309 WeakPolarHBondContact O-CB 3.47Å; L305-L309 WeakPolarHBondContact O-CD1 3.05Å; L305-L309 VanDerWaalsContact O-CG 3.27Å; L305-L309 WeakPolarHBondContact O-CG 3.37Å; L305-L309 PolarHBondContact O-N 3.32Å; M306-L309 PolarHBondContact O-N 2.8Å; M306-L309 HydrophobicContact SD-CD1 4.16Å; Q307-L309 VanDerWaalsContact C-N 3.3Å; Q307-L309 PolarHBondContact O-N 2.9Å; L309-T311 VanDerWaalsContact C-N 3.31Å; L309-T311 PolarHBondContact O-N 2.82Å; L309-F312 PolarHBondContact O-N 3.5Å; L309-I313 WeakPolarHBondContact O-CG1 3.26Å; L309-I313 PolarHBondContact O-N 3.03Å |
| 310 | Q | 66.2 | Low | 69.2 | Low | 129 Ų | 129 | 95.2 Ų | 95.2 | 60% | 0.603 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.5 | -41.4 | 176.7 | -76 | 178.6 | -10.9 | 0 | 0 | 112 | M306 Q307 F312 I313 L314 | M306-Q310 WeakPolarHBondContact O-CG 3.32Å; M306-Q310 PolarHBondContact O-N 3.33Å; Q307-Q310 PolarHBondContact O-N 3.38Å; Q310-F312 VanDerWaalsContact C-N 3.35Å; Q310-I313 PolarHBondContact O-N 3.22Å; Q310-L314 WeakPolarHBondContact O-CB 3.29Å; Q310-L314 PolarHBondContact O-N 2.98Å |
| 311 | T | 77.3 | Confident | 69.2 | Low | 92 Ų | 92 | 95.4 Ų | 95.4 | 56% | 0.564 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | Q307 C308 L309 L314 Y315 | Q307-T311 WeakPolarHBondContact O-CB 3.46Å; Q307-T311 PolarHBondContact O-N 2.87Å; Q307-T311 PolarHBondContact O-OG1 2.77Å; C308-T311 PolarHBondContact O-N 3.17Å; L309-T311 VanDerWaalsContact C-N 3.31Å; L309-T311 PolarHBondContact O-N 2.82Å; T311-L314 PolarHBondContact O-N 3.39Å; T311-Y315 WeakPolarHBondContact O-CB 3.28Å; T311-Y315 PolarHBondContact O-N 3.17Å |
| 312 | F | 74.7 | Confident | 69.5 | Low | 126 Ų | 126 | 94.6 Ų | 94.6 | 55% | 0.553 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.2 | -44.7 | 176.4 | 179.2 | -97.5 | 0 | 0 | 0 | 112 | C308 L309 Q310 Y315 T316 | C308-F312 WeakPolarHBondContact O-CB 3.5Å; C308-F312 PolarHBondContact O-N 3.37Å; L309-F312 PolarHBondContact O-N 3.5Å; Q310-F312 VanDerWaalsContact C-N 3.35Å; F312-Y315 PolarHBondContact O-N 3.07Å; F312-T316 WeakPolarHBondContact O-CB 3.46Å; F312-T316 PolarHBondContact O-N 3.12Å; F312-T316 PolarHBondContact O-OG1 3.33Å |
| 313 | I | 70.9 | Confident | 70 | Confident | 90 Ų | 90 | 91.9 Ų | 91.9 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.8 | -49.7 | 176 | -68.5 | 165.6 | 0 | 0 | 0 | 110.2 | L309 Q310 Y315 T316 S317 | L309-I313 WeakPolarHBondContact O-CG1 3.26Å; L309-I313 PolarHBondContact O-N 3.03Å; Q310-I313 PolarHBondContact O-N 3.22Å; I313-Y315 VanDerWaalsContact C-N 3.35Å; I313-Y315 PolarHBondContact O-N 2.86Å; I313-T316 PolarHBondContact O-N 3.22Å; I313-S317 PolarHBondContact O-N 3.32Å; I313-S317 PolarHBondContact O-OG 3.47Å |
| 314 | L | 70.2 | Confident | 69.9 | Low | 126 Ų | 126 | 92.3 Ų | 92.3 | 66% | 0.66 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.7 | -44.8 | 179.3 | -178.3 | 66.2 | 0 | 0 | 0 | 111.9 | Q310 T311 T316 S317 L318 | Q310-L314 WeakPolarHBondContact O-CB 3.29Å; Q310-L314 PolarHBondContact O-N 2.98Å; T311-L314 PolarHBondContact O-N 3.39Å; L314-T316 VanDerWaalsContact C-N 3.31Å; L314-T316 PolarHBondContact O-N 3.16Å; L314-S317 PolarHBondContact O-N 3.46Å; L314-L318 WeakPolarHBondContact O-CB 3.38Å; L314-L318 PolarHBondContact O-N 3.41Å |
| 315 | Y | 72.8 | Confident | 69.9 | Low | 133 Ų | 133 | 94.4 Ų | 94.4 | 52% | 0.522 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.2 | 179.4 | -100.8 | 0 | 0 | 0 | 111.6 | T311 F312 I313 L318 K319 | T311-Y315 WeakPolarHBondContact O-CB 3.28Å; T311-Y315 PolarHBondContact O-N 3.17Å; F312-Y315 PolarHBondContact O-N 3.07Å; I313-Y315 VanDerWaalsContact C-N 3.35Å; I313-Y315 PolarHBondContact O-N 2.86Å; Y315-L318 PolarHBondContact O-N 2.84Å; Y315-K319 HydrophobicContact CD1-CG 4.26Å; Y315-K319 HydrophobicContact CE1-CG 3.86Å; Y315-K319 HydrophobicContact CE2-CG 4.29Å; Y315-K319 VanDerWaalsContact CZ-CE 3.44Å; Y315-K319 WeakPolarHBondContact O-CB 3.29Å; Y315-K319 WeakPolarHBondContact O-CG 3.32Å; Y315-K319 PolarHBondContact O-N 3.18Å; Y315-K319 WeakPolarHBondContact OH-CE 3.24Å |
| 316 | T | 71.6 | Confident | 70.3 | Confident | 57 Ų | 57 | 96.1 Ų | 96.1 | 35% | 0.35 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 178.3 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | F312 I313 L314 L318 K319 C320 | F312-T316 WeakPolarHBondContact O-CB 3.46Å; F312-T316 PolarHBondContact O-N 3.12Å; F312-T316 PolarHBondContact O-OG1 3.33Å; I313-T316 PolarHBondContact O-N 3.22Å; L314-T316 VanDerWaalsContact C-N 3.31Å; L314-T316 PolarHBondContact O-N 3.16Å; T316-L318 PolarHBondContact O-N 3.44Å; T316-K319 PolarHBondContact O-N 2.91Å; T316-K319 VanDerWaalsContact O-N 3.15Å; T316-C320 PolarHBondContact O-N 3.14Å; T316-C320 PolarHBondContact O-SG 2.97Å |
| 317 | S | 69.5 | Low | 70.5 | Confident | 70 Ų | 70 | 98.8 Ų | 98.8 | 49% | 0.49 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 175.4 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | I313 L314 K319 C320 E321 | I313-S317 PolarHBondContact O-N 3.32Å; I313-S317 PolarHBondContact O-OG 3.47Å; L314-S317 PolarHBondContact O-N 3.46Å; S317-K319 VanDerWaalsContact C-N 3.31Å; S317-K319 PolarHBondContact O-N 3.04Å; S317-C320 WeakPolarHBondContact O-CB 3.42Å; S317-C320 PolarHBondContact O-N 3.29Å; S317-E321 PolarHBondContact O-N 2.83Å |
| 318 | L | 70.7 | Confident | 70.6 | Confident | 80 Ų | 80 | 98.3 Ų | 98.3 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 176.6 | -174.1 | 70.1 | 0 | 0 | 0 | 111.6 | L314 Y315 T316 E321 Q322 | L314-L318 WeakPolarHBondContact O-CB 3.38Å; L314-L318 PolarHBondContact O-N 3.41Å; Y315-L318 PolarHBondContact O-N 2.84Å; T316-L318 PolarHBondContact O-N 3.44Å; L318-E321 PolarHBondContact O-N 3.01Å; L318-Q322 WeakPolarHBondContact O-CB 3.49Å; L318-Q322 VanDerWaalsContact O-CG 3.29Å; L318-Q322 WeakPolarHBondContact O-CG 3.44Å; L318-Q322 PolarHBondContact O-N 2.9Å |
| 319 | K | 71.6 | Confident | 71.1 | Confident | 82 Ų | 82 | 102.9 Ų | 102.9 | 36% | 0.357 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 175.3 | -78.1 | -66.5 | 179.2 | -165 | 0 | 112 | Y315 T316 S317 Q322 I323 | Y315-K319 HydrophobicContact CD1-CG 4.26Å; Y315-K319 HydrophobicContact CE1-CG 3.86Å; Y315-K319 HydrophobicContact CE2-CG 4.29Å; Y315-K319 VanDerWaalsContact CZ-CE 3.44Å; Y315-K319 WeakPolarHBondContact O-CB 3.29Å; Y315-K319 WeakPolarHBondContact O-CG 3.32Å; Y315-K319 PolarHBondContact O-N 3.18Å; Y315-K319 WeakPolarHBondContact OH-CE 3.24Å; T316-K319 PolarHBondContact O-N 2.91Å; T316-K319 VanDerWaalsContact O-N 3.15Å; S317-K319 VanDerWaalsContact C-N 3.31Å; S317-K319 PolarHBondContact O-N 3.04Å; K319-Q322 PolarHBondContact O-N 3.45Å; K319-I323 WeakPolarHBondContact O-CD1 3.4Å; K319-I323 VanDerWaalsContact O-CG1 3.26Å; K319-I323 WeakPolarHBondContact O-CG1 3.15Å; K319-I323 PolarHBondContact O-N 3.18Å |
| 320 | C | 67.4 | Low | 71.8 | Confident | 75 Ų | 75 | 108.2 Ų | 108.2 | 51% | 0.507 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 172.7 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | T316 S317 Q322 I323 E324 | T316-C320 PolarHBondContact O-N 3.14Å; T316-C320 PolarHBondContact O-SG 2.97Å; S317-C320 WeakPolarHBondContact O-CB 3.42Å; S317-C320 PolarHBondContact O-N 3.29Å; C320-Q322 VanDerWaalsContact C-N 3.35Å; C320-Q322 PolarHBondContact O-N 2.97Å; C320-I323 WeakPolarHBondContact O-CB 3.37Å; C320-I323 PolarHBondContact O-N 3.22Å; C320-I323 VanDerWaalsContact O-N 3.16Å; C320-E324 PolarHBondContact O-N 2.93Å |
| 321 | E | 67.4 | Low | 71.7 | Confident | 76 Ų | 76 | 106.8 Ų | 106.8 | 36% | 0.355 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.3 | -167.5 | -155.6 | 158.8 | 0 | 0 | 112.1 | S317 L318 I323 E324 R325 | S317-E321 PolarHBondContact O-N 2.83Å; L318-E321 PolarHBondContact O-N 3.01Å; E321-I323 VanDerWaalsContact C-N 3.29Å; E321-I323 PolarHBondContact O-N 2.96Å; E321-E324 PolarHBondContact O-N 3.5Å; E321-R325 WeakPolarHBondContact O-CB 3.28Å; E321-R325 WeakPolarHBondContact O-CG 3.44Å; E321-R325 PolarHBondContact O-N 2.72Å; E321-R325 IonicContact OE1-CZ 3.13Å; E321-R325 IonicContact OE1-NE 2.76Å; E321-R325 PolarHBondContact OE1-NE 2.74Å; E321-R325 IonicContact OE1-NH2 2.68Å; E321-R325 PolarHBondContact OE1-NH2 2.78Å |
| 322 | Q | 71.4 | Confident | 70.7 | Confident | 83 Ų | 83 | 107.2 Ų | 107.2 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 175.8 | -78.4 | 178 | 0.8 | 0 | 0 | 112.2 | L318 K319 C320 K326 | L318-Q322 WeakPolarHBondContact O-CB 3.49Å; L318-Q322 VanDerWaalsContact O-CG 3.29Å; L318-Q322 WeakPolarHBondContact O-CG 3.44Å; L318-Q322 PolarHBondContact O-N 2.9Å; K319-Q322 PolarHBondContact O-N 3.45Å; C320-Q322 VanDerWaalsContact C-N 3.35Å; C320-Q322 PolarHBondContact O-N 2.97Å; Q322-K326 WeakPolarHBondContact O-CG 3.27Å; Q322-K326 PolarHBondContact O-N 3.1Å; Q322-K326 VanDerWaalsContact O-N 3.16Å |
| 323 | I | 72.8 | Confident | 69.6 | Low | 78 Ų | 78 | 109.2 Ų | 109.2 | 40% | 0.4 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68 | -48 | 176.6 | -68.1 | 163.8 | 0 | 0 | 0 | 109.6 | K319 C320 E321 R325 K326 W327 | K319-I323 WeakPolarHBondContact O-CD1 3.4Å; K319-I323 VanDerWaalsContact O-CG1 3.26Å; K319-I323 WeakPolarHBondContact O-CG1 3.15Å; K319-I323 PolarHBondContact O-N 3.18Å; C320-I323 WeakPolarHBondContact O-CB 3.37Å; C320-I323 PolarHBondContact O-N 3.22Å; C320-I323 VanDerWaalsContact O-N 3.16Å; E321-I323 VanDerWaalsContact C-N 3.29Å; E321-I323 PolarHBondContact O-N 2.96Å; I323-R325 PolarHBondContact O-N 2.79Å; I323-K326 WeakPolarHBondContact O-CB 3.39Å; I323-K326 PolarHBondContact O-N 2.86Å; I323-W327 HydrophobicContact CG2-CD2 3.97Å; I323-W327 VanDerWaalsContact CG2-CE2 3.49Å; I323-W327 HydrophobicContact CG2-CE3 4.47Å; I323-W327 HydrophobicContact CG2-CH2 4.16Å; I323-W327 HydrophobicContact CG2-CZ2 3.61Å; I323-W327 PolarHBondContact O-N 3.09Å |
| 324 | E | 69 | Low | 68.3 | Low | 116 Ų | 116 | 112.7 Ų | 112.7 | 54% | 0.542 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -57.2 | -45.5 | 177.3 | -172.7 | -176.7 | 176.1 | 0 | 0 | 112 | C320 E321 K326 W327 L328 | C320-E324 PolarHBondContact O-N 2.93Å; E321-E324 PolarHBondContact O-N 3.5Å; E324-K326 VanDerWaalsContact C-N 3.32Å; E324-K326 PolarHBondContact O-N 3.14Å; E324-W327 PolarHBondContact O-N 2.7Å; E324-L328 HydrophobicContact CG-CD1 4.29Å; E324-L328 WeakPolarHBondContact O-CG 3.42Å; E324-L328 PolarHBondContact O-N 3.49Å |
| 325 | R | 72.8 | Confident | 66.8 | Low | 154 Ų | 154 | 117.9 Ų | 117.9 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.5 | -32.5 | 176.1 | -74.1 | -179 | -177 | -122 | 7.2 | 113.4 | E321 I323 K329 | E321-R325 WeakPolarHBondContact O-CB 3.28Å; E321-R325 WeakPolarHBondContact O-CG 3.44Å; E321-R325 PolarHBondContact O-N 2.72Å; E321-R325 IonicContact OE1-CZ 3.13Å; E321-R325 IonicContact OE1-NE 2.76Å; E321-R325 PolarHBondContact OE1-NE 2.74Å; E321-R325 IonicContact OE1-NH2 2.68Å; E321-R325 PolarHBondContact OE1-NH2 2.78Å; I323-R325 PolarHBondContact O-N 2.79Å; R325-K329 WeakPolarHBondContact O-CG 3.29Å; R325-K329 PolarHBondContact O-N 3.05Å |
| 326 | K | 76 | Confident | 66.5 | Low | 139 Ų | 139 | 117.2 Ų | 117.2 | 60% | 0.604 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.5 | -45.4 | 173.9 | -78.7 | 178.3 | 179.2 | -173.8 | 0 | 110 | Q322 I323 E324 K329 E330 | Q322-K326 WeakPolarHBondContact O-CG 3.27Å; Q322-K326 PolarHBondContact O-N 3.1Å; Q322-K326 VanDerWaalsContact O-N 3.16Å; I323-K326 WeakPolarHBondContact O-CB 3.39Å; I323-K326 PolarHBondContact O-N 2.86Å; E324-K326 VanDerWaalsContact C-N 3.32Å; E324-K326 PolarHBondContact O-N 3.14Å; K326-K329 WeakPolarHBondContact O-CB 3.4Å; K326-K329 PolarHBondContact O-N 2.72Å; K326-K329 VanDerWaalsContact O-N 3.17Å; K326-E330 PolarHBondContact O-N 2.62Å |
| 327 | W | 71.9 | Confident | 66.2 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 48% | 0.481 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63 | -43.6 | 177.6 | -64.2 | -9.8 | 0 | 0 | 0 | 112.3 | I323 E324 K329 E330 I331 | I323-W327 HydrophobicContact CG2-CD2 3.97Å; I323-W327 VanDerWaalsContact CG2-CE2 3.49Å; I323-W327 HydrophobicContact CG2-CE3 4.47Å; I323-W327 HydrophobicContact CG2-CH2 4.16Å; I323-W327 HydrophobicContact CG2-CZ2 3.61Å; I323-W327 PolarHBondContact O-N 3.09Å; E324-W327 PolarHBondContact O-N 2.7Å; W327-K329 PolarHBondContact O-N 2.82Å; W327-E330 CarbonylContact O-C 3.59Å; W327-E330 PolarHBondContact O-N 3.44Å; W327-I331 WeakPolarHBondContact O-CG1 3.39Å; W327-I331 PolarHBondContact O-N 2.83Å |
| 328 | L | 72.9 | Confident | 66.1 | Low | 108 Ų | 108 | 123.1 Ų | 123.1 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.6 | -27.2 | 175.3 | -77.2 | 168.4 | 0 | 0 | 0 | 113.8 | E324 I331 | E324-L328 HydrophobicContact CG-CD1 4.29Å; E324-L328 WeakPolarHBondContact O-CG 3.42Å; E324-L328 PolarHBondContact O-N 3.49Å; L328-I331 HydrophobicContact CD2-CD1 4.35Å |
| 329 | K | 77.5 | Confident | 65.8 | Low | 184 Ų | 184 | 125.6 Ų | 125.6 | 80% | 0.8 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -80.2 | -27.4 | 173.7 | -71.5 | 176.5 | -179.3 | -173.8 | 0 | 113.1 | R325 K326 W327 | R325-K329 WeakPolarHBondContact O-CG 3.29Å; R325-K329 PolarHBondContact O-N 3.05Å; K326-K329 WeakPolarHBondContact O-CB 3.4Å; K326-K329 PolarHBondContact O-N 2.72Å; K326-K329 VanDerWaalsContact O-N 3.17Å; W327-K329 PolarHBondContact O-N 2.82Å |
| 330 | E | 74.4 | Confident | 65.4 | Low | 148 Ų | 148 | 128.4 Ų | 128.4 | 69% | 0.692 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -84 | -21.2 | 178.4 | -72.1 | 176.3 | -175 | 0 | 0 | 112.1 | K326 W327 P332 | K326-E330 PolarHBondContact O-N 2.62Å; W327-E330 CarbonylContact O-C 3.59Å; W327-E330 PolarHBondContact O-N 3.44Å; E330-P332 VanDerWaalsContact O-CD 3.27Å; E330-P332 WeakPolarHBondContact O-CD 3.46Å |
| 331 | I | 63.1 | Low | 65.3 | Low | 98 Ų | 98 | 131.9 Ų | 131.9 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -66.5 | 115.8 | 166.4 | -64.5 | 169.1 | 0 | 0 | 0 | 107.1 | W327 L328 L333 | W327-I331 WeakPolarHBondContact O-CG1 3.39Å; W327-I331 PolarHBondContact O-N 2.83Å; L328-I331 HydrophobicContact CD2-CD1 4.35Å; I331-L333 PolarHBondContact O-N 2.65Å; I331-L333 VanDerWaalsContact O-N 3.14Å |
| 332 | P | 55.9 | Low | 65.1 | Low | 101 Ų | 101 | 135.9 Ų | 135.9 | 66% | 0.656 | 66% | 0.658 | S | S | * | * | trans | -56.2 | 124.5 | 174.7 | -17.4 | 29.2 | 0 | 0 | 0 | 108.1 | E330 L334 | E330-P332 VanDerWaalsContact O-CD 3.27Å; E330-P332 WeakPolarHBondContact O-CD 3.46Å; P332-L334 PolarHBondContact O-N 2.93Å | ||
| 333 | L | 52.2 | Low | 64.7 | Low | 169 Ų | 169 | 140 Ų | 140 | 89% | 0.885 | 68% | 0.678 | S | S | * | * | trans | -53.2 | 110 | 162.4 | -81.9 | 155.3 | 0 | 0 | 0 | 105.6 | I331 D335 | I331-L333 PolarHBondContact O-N 2.65Å; I331-L333 VanDerWaalsContact O-N 3.14Å; L333-D335 VanDerWaalsContact C-N 3.32Å; L333-D335 PolarHBondContact O-N 3.09Å | ||
| 334 | L | 43.3 | Very low | 64 | Low | 163 Ų | 163 | 145.2 Ų | 145.2 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | trans | -60 | 100.6 | 171.9 | -83.1 | 95 | 0 | 0 | 0 | 107.1 | P332 | P332-L334 PolarHBondContact O-N 2.93Š| ||
| 335 | D | 39 | Very low | 63.5 | Low | 235 Ų | 235 | 147.8 Ų | 147.8 | 100% | 1.257 | 72% | 0.716 | S | S | * | * | trans | -92.3 | 0 | 147.2 | -86 | -19.2 | 0 | 0 | 0 | 108.7 | L333 | L333-D335 VanDerWaalsContact C-N 3.32Å; L333-D335 PolarHBondContact O-N 3.09Å |
Retrieved 335 of 335 residues in 581.3 ms
(Link to these results)