| 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 | 35.3 | Very low | 30.8 | Very low | 237 Ų | 237 | 159.8 Ų | 159.8 | 100% | 1.167 | 86% | 0.856 | S | S | * | * | 0 | 115.2 | 0 | -49.4 | 176.2 | -164.8 | 0 | 0 | 104.7 | |||||
| 2 | A | 29.7 | Very low | 30.7 | Very low | 93 Ų | 93 | 156.1 Ų | 156.1 | 77% | 0.769 | 85% | 0.851 | S | S | * | * | 60 | 122.1 | 55.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 3 | L | 27.8 | Very low | 30.4 | Very low | 168 Ų | 168 | 152.2 Ų | 152.2 | 88% | 0.88 | 84% | 0.843 | S | S | * | * | cis | -132.4 | 158.8 | 20.2 | -73.3 | 160.7 | 0 | 0 | 0 | 113.6 | ||||
| 4 | P | 36.3 | Very low | 30.2 | Very low | 108 Ų | 108 | 154 Ų | 154 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 150.6 | 172.5 | 35.8 | -33.9 | 0 | 0 | 0 | 113.1 | ||
| 5 | M | 33.2 | Very low | 30.3 | Very low | 199 Ų | 199 | 154.4 Ų | 154.4 | 98% | 0.98 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 126.8 | 169.7 | -82.4 | -72 | -178.4 | 0 | 0 | 111.3 | ||
| 6 | T | 31.1 | Very low | 30 | Very low | 129 Ų | 129 | 155.6 Ų | 155.6 | 79% | 0.791 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 155.3 | -177.8 | 42.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 7 | R | 33.6 | Very low | 30 | Very low | 236 Ų | 236 | 154.9 Ų | 154.9 | 89% | 0.891 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 148 | 173.3 | -68.3 | 172.5 | 170.3 | 161.4 | -3.3 | 111.5 | ||
| 8 | S | 26.9 | Very low | 29.9 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 71% | 0.713 | 84% | 0.835 | S | S | * | * | trans | -123.2 | 133.9 | 147.9 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 9 | R | 28.3 | Very low | 29.9 | Very low | 230 Ų | 230 | 153.3 Ų | 153.3 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | trans | -110.7 | 125.7 | 160.5 | -77 | 179.1 | 172.9 | 174 | -3.6 | 105.9 | ||||
| 10 | L | 30.8 | Very low | 30 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 80% | 0.801 | 84% | 0.837 | S | S | * | * | trans | -123.7 | 120.8 | 163.4 | -78.3 | 171.6 | 0 | 0 | 0 | 108.9 | ||||
| 11 | A | 25.9 | Very low | 29.9 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -97.3 | 138.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 12 | S | 29.1 | Very low | 29.5 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -128.3 | 116.9 | 174.3 | -61.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 13 | S | 27.2 | Very low | 29.3 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | trans | -87.7 | 179.8 | 173.3 | 47 | 0 | 0 | 0 | 0 | 111 | ||||
| 14 | E | 28.2 | Very low | 29.3 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | 75 | 105.9 | 166.1 | -50.5 | -170.7 | 141.7 | 0 | 0 | 116.9 | ||||
| 15 | N | 30.7 | Very low | 29.1 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | -146.9 | 144.4 | 101.9 | -123.9 | -38.1 | 0 | 0 | 0 | 111.1 | |||||
| 16 | Q | 26.8 | Very low | 28.9 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -110.4 | 144.4 | 172.4 | -66.2 | -175.2 | 12.1 | 0 | 0 | 109.3 | ||||
| 17 | T | 29.9 | Very low | 28.8 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -158.5 | 142.6 | 163.7 | -5.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 18 | T | 27.3 | Very low | 28.6 | Very low | 112 Ų | 112 | 142 Ų | 142 | 69% | 0.687 | 82% | 0.824 | S | S | * | * | trans | -129.2 | 132.5 | -158.4 | 49.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 19 | L | 29.3 | Very low | 28.8 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | trans | 69.2 | 165.4 | 153.7 | -63.1 | 170.2 | 0 | 0 | 0 | 116.4 | ||||
| 20 | P | 33 | Very low | 28.9 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | cis | -106 | 178.2 | -3 | 39.4 | -29.6 | 0 | 0 | 0 | 113.6 | ||||
| 21 | G | 26.7 | Very low | 29.1 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -128.6 | -178.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 22 | K | 26.9 | Very low | 29.3 | Very low | 213 Ų | 213 | 145.6 Ų | 145.6 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | trans | -143.9 | 141.6 | 165.7 | -111 | 175.5 | 178.5 | 175.4 | 0 | 108.9 | ||||
| 23 | A | 26 | Very low | 29.6 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | -89.2 | 143.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 24 | V | 28.6 | Very low | 30.2 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | trans | -135.1 | 126.9 | 167.3 | 179.9 | 0 | 0 | 0 | 0 | 108 | G26 | V24-G26 PolarHBondContact O-N 3.43Š| ||
| 25 | L | 30.8 | Very low | 30.6 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | trans | -79.5 | 106.4 | 176 | -78 | 111.7 | 0 | 0 | 0 | 110.6 | ||||
| 26 | G | 29.3 | Very low | 31.4 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 118.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V24 K28 | V24-G26 PolarHBondContact O-N 3.43Å; G26-K28 PolarHBondContact O-N 2.99Å |
| 27 | T | 29.6 | Very low | 32.3 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 123.9 | 176.5 | 20.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 28 | K | 29.1 | Very low | 32.4 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 131.2 | 170.8 | -68.8 | -177.6 | 178.7 | 178.5 | 0 | 109.9 | G26 T30 | G26-K28 PolarHBondContact O-N 2.99Å; K28-T30 PolarHBondContact O-N 3.22Å |
| 29 | P | 30.4 | Very low | 33 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71 | 117.8 | 176.3 | 28.2 | -33.3 | 0 | 0 | 0 | 110.7 | ||
| 30 | T | 31.2 | Very low | 33.5 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -85.5 | 115.8 | 173.6 | 40.5 | 0 | 0 | 0 | 0 | 110.5 | K28 | K28-T30 PolarHBondContact O-N 3.22Š| ||
| 31 | L | 34.3 | Very low | 33.3 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 132.2 | 172.6 | -69.3 | 170.3 | 0 | 0 | 0 | 109.8 | ||
| 32 | R | 31.5 | Very low | 33.6 | Very low | 231 Ų | 231 | 135.9 Ų | 135.9 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 143.6 | 175.3 | -63.2 | -175.3 | -176.4 | -171.4 | 1.3 | 110.3 | ||
| 33 | P | 35.5 | Very low | 33.9 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 143.9 | 168.7 | -16.9 | 29.9 | 0 | 0 | 0 | 111 | ||
| 34 | R | 40.3 | Very low | 34.1 | Very low | 241 Ų | 241 | 130.8 Ų | 130.8 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | -132.5 | 108.3 | 160.1 | -78.5 | -175.7 | 171.6 | 174.1 | -2.3 | 106.7 | A36 | R34-A36 PolarHBondContact O-N 2.9Š| ||
| 35 | A | 35.2 | Very low | 34.2 | Very low | 67 Ų | 67 | 130.8 Ų | 130.8 | 55% | 0.554 | 76% | 0.761 | S | S | * | * | trans | -59.6 | 135.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L37 | A35-L37 WeakPolarHBondContact CB-O 3.22Å; A35-L37 PolarHBondContact O-N 3.41Å | ||
| 36 | A | 47.7 | Very low | 34.2 | Very low | 36 Ų | 36 | 128 Ų | 128 | 30% | 0.298 | 75% | 0.753 | S | S | . | * | S | Bend | trans | -65.2 | -18.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | R34 W175 | R34-A36 PolarHBondContact O-N 2.9Å; A36-W175 HydrophobicContact CB-CD2 4.36Å; A36-W175 HydrophobicContact CB-CG 4.08Å |
| 37 | L | 44.8 | Very low | 34.2 | Very low | 58 Ų | 58 | 135.3 Ų | 135.3 | 30% | 0.304 | 76% | 0.759 | S | S | . | * | S | Bend | trans | -130 | 141.3 | 166.4 | -67.2 | 170 | 0 | 0 | 0 | 108 | A35 | A35-L37 WeakPolarHBondContact CB-O 3.22Å; A35-L37 PolarHBondContact O-N 3.41Å |
| 38 | G | 32.6 | Very low | 34.1 | Very low | 68 Ų | 68 | 136.1 Ų | 136.1 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -63.6 | 160.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | I40 | G38-I40 PolarHBondContact O-N 2.81Å; G38-I40 VanDerWaalsContact O-N 3.14Å | ||
| 39 | E | 40.2 | Very low | 33.9 | Very low | 197 Ų | 197 | 133.1 Ų | 133.1 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -46.2 | 106.9 | -166.4 | -62.5 | 178.2 | 159.3 | 0 | 0 | 115.6 | ||
| 40 | I | 39.5 | Very low | 33.8 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 68% | 0.677 | 76% | 0.757 | S | S | * | * | trans | -140.1 | 84.9 | 156.2 | -53.8 | 180 | 0 | 0 | 0 | 106.6 | G38 | G38-I40 PolarHBondContact O-N 2.81Å; G38-I40 VanDerWaalsContact O-N 3.14Å | ||
| 41 | G | 30.2 | Very low | 33.5 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | -93.3 | -179.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 42 | N | 32.5 | Very low | 33.1 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | trans | -145.4 | 154.3 | 147.2 | -160.3 | 5.2 | 0 | 0 | 0 | 109.5 | ||||
| 43 | V | 33.2 | Very low | 32.8 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | -97.8 | 135.3 | -170.2 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 44 | G | 29 | Very low | 32.4 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -139.8 | 125.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 45 | V | 30.9 | Very low | 31.7 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | -95.7 | 136.8 | -179.2 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 46 | P | 31.8 | Very low | 31.3 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -93.3 | 162.4 | -162 | 36.5 | -37.9 | 0 | 0 | 0 | 114.5 | ||||
| 47 | R | 28.4 | Very low | 30.3 | Very low | 222 Ų | 222 | 141.2 Ų | 141.2 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -149.2 | 111.2 | 162.3 | -150.7 | 171.7 | -175.9 | 158.1 | 4.1 | 116.7 | ||||
| 48 | Q | 28.2 | Very low | 29.3 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | 51.8 | 137.4 | 141.1 | -59.2 | 177 | -65.7 | 0 | 0 | 122.1 | ||||
| 49 | T | 25.1 | Very low | 29 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -90.9 | 159.5 | 177.4 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 50 | L | 27.5 | Very low | 28.5 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 95% | 0.953 | 82% | 0.818 | S | S | * | * | trans | -128.3 | 150.2 | 158.3 | -82.4 | 171 | 0 | 0 | 0 | 110.6 | ||||
| 51 | K | 25.4 | Very low | 27.8 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -119.8 | 146.3 | -177.2 | -66.2 | 178.2 | 176.5 | 178.9 | 0 | 111.1 | ||||
| 52 | K | 26.7 | Very low | 27.7 | Very low | 197 Ų | 197 | 151.1 Ų | 151.1 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | trans | 161.4 | 163.3 | 143.3 | -95.1 | 177.6 | 178.5 | -178.3 | 0 | 109.2 | ||||
| 53 | N | 24.4 | Very low | 27.3 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | cis | -177.8 | 152.6 | -39.8 | -109.9 | 16.7 | 0 | 0 | 0 | 107.4 | ||||
| 54 | A | 26.9 | Very low | 27.1 | Very low | 91 Ų | 91 | 156 Ų | 156 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | trans | 65.8 | 158.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 55 | K | 26.6 | Very low | 27 | Very low | 205 Ų | 205 | 161.9 Ų | 161.9 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | cis | -152.5 | 162 | -19.4 | -119.4 | 177.4 | 179.8 | -173.5 | 0 | 107.8 | ||||
| 56 | A | 25.2 | Very low | 26.7 | Very low | 93 Ų | 93 | 161.5 Ų | 161.5 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | trans | -92.5 | 150.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 57 | E | 26.6 | Very low | 26.6 | Very low | 198 Ų | 198 | 161.5 Ų | 161.5 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | trans | -130 | 147.1 | 161.3 | -82.6 | -168.4 | 147.1 | 0 | 0 | 110.5 | ||||
| 58 | T | 23.9 | Very low | 26.4 | Very low | 132 Ų | 132 | 157 Ų | 157 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | -126.3 | 129.6 | -177.5 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 59 | T | 27.6 | Very low | 26.4 | Very low | 149 Ų | 149 | 161.1 Ų | 161.1 | 91% | 0.914 | 84% | 0.839 | S | S | * | * | trans | -106.2 | 147.7 | 174.5 | -33.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 60 | K | 27.9 | Very low | 26.5 | Very low | 193 Ų | 193 | 159 Ų | 159 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | trans | -96.4 | 156.6 | -166.4 | -68.9 | 179.9 | 177.7 | 177.7 | 0 | 113.9 | ||||
| 61 | V | 25.1 | Very low | 26.5 | Very low | 129 Ų | 129 | 158 Ų | 158 | 78% | 0.782 | 83% | 0.825 | S | S | * | * | trans | -63.8 | 149.6 | 167.3 | 178 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 62 | V | 28.4 | Very low | 26.6 | Very low | 137 Ų | 137 | 157.7 Ų | 157.7 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | -133.4 | 122.9 | 164.4 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 63 | D | 25.6 | Very low | 26.6 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | -74.6 | 153.9 | 175.4 | -67.8 | -72 | 0 | 0 | 0 | 113.1 | ||||
| 64 | R | 28.1 | Very low | 26.8 | Very low | 252 Ų | 252 | 155.7 Ų | 155.7 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | trans | -143.6 | 142.5 | 153.8 | -143 | 171.3 | -173.8 | 179 | 1.3 | 112.1 | ||||
| 65 | K | 27.7 | Very low | 27 | Very low | 199 Ų | 199 | 157.5 Ų | 157.5 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | trans | -81 | 158.6 | -165.1 | -78.8 | -179.5 | 173.6 | 177.9 | 0 | 115 | ||||
| 66 | T | 24.7 | Very low | 27.2 | Very low | 129 Ų | 129 | 153.5 Ų | 153.5 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -38.3 | 152.8 | 166.5 | 31.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 67 | S | 27.6 | Very low | 27.5 | Very low | 122 Ų | 122 | 158.1 Ų | 158.1 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -133.9 | 149.7 | 147.5 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 68 | T | 25.6 | Very low | 27.8 | Very low | 128 Ų | 128 | 154 Ų | 154 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -122.8 | 141.9 | -170.9 | 42.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 69 | R | 27.7 | Very low | 28.4 | Very low | 246 Ų | 246 | 153.4 Ų | 153.4 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | trans | -156.7 | 118.9 | 161.6 | -171.2 | 151.8 | -174.4 | 179.7 | 2.5 | 111.7 | ||||
| 70 | A | 26.9 | Very low | 28.7 | Very low | 83 Ų | 83 | 156 Ų | 156 | 69% | 0.686 | 82% | 0.816 | S | S | * | * | trans | -73.8 | 165.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 71 | E | 27.8 | Very low | 28.8 | Very low | 162 Ų | 162 | 154 Ų | 154 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | cis | -173.5 | 151.8 | 41.4 | -156.2 | -168.9 | -146.5 | 0 | 0 | 104.4 | ||||
| 72 | K | 27.9 | Very low | 29.3 | Very low | 180 Ų | 180 | 154.3 Ų | 154.3 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | -171.6 | 157.9 | 65.9 | -80.1 | 178.4 | 176.7 | 179.1 | 0 | 111 | |||||
| 73 | A | 27.2 | Very low | 29.5 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -92.2 | 161.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 74 | Q | 28.5 | Very low | 29.7 | Very low | 202 Ų | 202 | 154.8 Ų | 154.8 | 94% | 0.944 | 81% | 0.807 | S | S | * | * | trans | -124.8 | 152.6 | 160.5 | -93.9 | -173.5 | -23.3 | 0 | 0 | 109.8 | ||||
| 75 | V | 30.4 | Very low | 29.9 | Very low | 130 Ų | 130 | 147 Ų | 147 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | -120.6 | 121.9 | -165.9 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 76 | V | 30.2 | Very low | 30.4 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | 24.5 | 128.1 | 143.9 | -173 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 77 | Q | 32 | Very low | 31 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -132 | 136.1 | 139.3 | -69.7 | -166.6 | 7.9 | 0 | 0 | 110.6 | ||||
| 78 | P | 33.6 | Very low | 31.4 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -96.2 | -172.7 | 176.8 | 42.7 | -36.4 | 0 | 0 | 0 | 111.1 | ||||
| 79 | P | 36.5 | Very low | 32.1 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -87 | 162.6 | -138.4 | 36.4 | -39.6 | 0 | 0 | 0 | 116 | ||
| 80 | K | 32.8 | Very low | 32.6 | Very low | 204 Ų | 204 | 141.2 Ų | 141.2 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 134.6 | 163.8 | -77.8 | -174.5 | 174 | -179.4 | 0 | 111.2 | ||
| 81 | I | 30.8 | Very low | 33.2 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 143.7 | 175.5 | -62.4 | 167.7 | 0 | 0 | 0 | 109.4 | V83 | I81-V83 HydrophobicContact CG2-CG2 4.08Š|
| 82 | V | 35.6 | Very low | 33.9 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -136.6 | 132.7 | 169.3 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 83 | V | 31.8 | Very low | 34.4 | Very low | 98 Ų | 98 | 141 Ų | 141 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | trans | -162 | 157.6 | 175.3 | -101 | 0 | 0 | 0 | 0 | 107.5 | I81 | I81-V83 HydrophobicContact CG2-CG2 4.08Š| ||
| 84 | F | 30.9 | Very low | 35.2 | Very low | 195 Ų | 195 | 145 Ų | 145 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | cis | -101.3 | -143.8 | 1.8 | -71.3 | -84.4 | 0 | 0 | 0 | 109.9 | ||||
| 85 | A | 32.5 | Very low | 35.8 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | cis | -148 | -166.3 | 12.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 86 | P | 37.4 | Very low | 36.6 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 155.7 | -141.2 | 36.1 | -38.1 | 0 | 0 | 0 | 115.5 | Q88 | P86-Q88 PolarHBondContact O-N 2.9Š|
| 87 | V | 36.6 | Very low | 37.5 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64 | 120.5 | 170.5 | 178 | 0 | 0 | 0 | 0 | 110 | ||
| 88 | Q | 36.8 | Very low | 38.1 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 127 | 160 | -71.6 | -176.5 | -15.4 | 0 | 0 | 108.6 | P86 L90 | P86-Q88 PolarHBondContact O-N 2.9Å; Q88-L90 PolarHBondContact O-N 2.6Å; Q88-L90 VanDerWaalsContact O-N 3.12Å |
| 89 | V | 40.4 | Very low | 39.1 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -73.6 | 102.5 | 173.6 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 90 | L | 37.3 | Very low | 39.9 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 137.9 | 162.3 | -114 | 71.4 | 0 | 0 | 0 | 108.4 | Q88 | Q88-L90 PolarHBondContact O-N 2.6Å; Q88-L90 VanDerWaalsContact O-N 3.12Å |
| 91 | P | 39.3 | Very low | 40.8 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 151.5 | 171.1 | 28.4 | -34.6 | 0 | 0 | 0 | 110.4 | ||
| 92 | E | 42.9 | Very low | 41.9 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.2 | 178.8 | -61.3 | 178.9 | 142.6 | 0 | 0 | 110.7 | M94 | E92-M94 PolarHBondContact O-N 3.45Š|
| 93 | P | 39.2 | Very low | 42.7 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 120.8 | 173.5 | 27.4 | -32.6 | 0 | 0 | 0 | 108.7 | ||
| 94 | M | 44.7 | Very low | 43.3 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 142.5 | 177.7 | -62.3 | -176.2 | -64.2 | 0 | 0 | 110.7 | E92 | E92-M94 PolarHBondContact O-N 3.45Š|
| 95 | S | 41.1 | Very low | 44.3 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -44.6 | 125.6 | 177.8 | -49.7 | 0 | 0 | 0 | 0 | 111.1 | T97 | S95-T97 PolarHBondContact O-N 3.4Å; S95-T97 VanDerWaalsContact O-N 3.11Å | ||
| 96 | P | 46.3 | Very low | 45.2 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | trans | -62.9 | 119.5 | -176.5 | 24.5 | -33.2 | 0 | 0 | 0 | 109.9 | ||||
| 97 | T | 48.3 | Very low | 45.9 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | trans | -56.1 | 144.3 | 167.6 | 46.4 | 0 | 0 | 0 | 0 | 109.8 | S95 M99 | S95-T97 PolarHBondContact O-N 3.4Å; S95-T97 VanDerWaalsContact O-N 3.11Å; T97-M99 PolarHBondContact O-N 3.17Å | ||
| 98 | P | 44.8 | Very low | 46.4 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -57.2 | 114 | -175.7 | 23.5 | -34 | 0 | 0 | 0 | 110.7 | ||||
| 99 | M | 55 | Low | 46.7 | Very low | 162 Ų | 162 | 120.6 Ų | 120.6 | 80% | 0.798 | 71% | 0.714 | S | S | * | * | trans | -74.4 | 127.2 | 177.6 | -176.9 | 170.2 | 66.8 | 0 | 0 | 109.1 | T97 T101 | T97-M99 PolarHBondContact O-N 3.17Å; M99-T101 PolarHBondContact O-N 3.11Å | ||
| 100 | E | 54.1 | Low | 47.2 | Very low | 179 Ų | 179 | 118.6 Ų | 118.6 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | trans | -65.5 | 109.1 | 179.8 | -67 | -165.7 | 152.7 | 0 | 0 | 110.9 | S102 | E100-S102 PolarHBondContact O-N 3.41Š| ||
| 101 | T | 51.6 | Low | 47.8 | Very low | 87 Ų | 87 | 118.3 Ų | 118.3 | 53% | 0.534 | 70% | 0.7 | S | S | . | * | trans | -77.8 | 39.5 | -177.9 | 43.4 | 0 | 0 | 0 | 0 | 113.4 | M99 G103 L109 | M99-T101 PolarHBondContact O-N 3.11Å; T101-G103 PolarHBondContact O-N 3.46Å; T101-L109 HydrophobicContact CG2-CD1 4.28Å; T101-L109 HydrophobicContact CG2-CD2 4.5Å | ||
| 102 | S | 53.8 | Low | 48.1 | Very low | 121 Ų | 121 | 116 Ų | 116 | 85% | 0.846 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 22.8 | -176.9 | -170.8 | 0 | 0 | 0 | 0 | 114.8 | E100 | E100-S102 PolarHBondContact O-N 3.41Š|
| 103 | G | 51 | Low | 48.2 | Very low | 76 Ų | 76 | 114.4 Ų | 114.4 | 78% | 0.784 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.2 | -3.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | T101 | T101-G103 PolarHBondContact O-N 3.46Š|
| 104 | C | 46.1 | Very low | 49 | Very low | 71 Ų | 71 | 110.9 Ų | 110.9 | 48% | 0.48 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -97 | 144.2 | 175.8 | -64.7 | 0 | 0 | 0 | 0 | 111 | L109 | C104-L109 HydrophobicContact CB-CD1 3.72Å; C104-L109 HydrophobicContact CB-CD2 4.28Å; C104-L109 HydrophobicContact CB-CG 3.74Å |
| 105 | A | 51.8 | Low | 49.2 | Very low | 53 Ų | 53 | 106.4 Ų | 106.4 | 44% | 0.438 | 64% | 0.639 | S | S | . | * | trans | -65.6 | 137.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | N107 E108 | A105-N107 PolarHBondContact O-N 2.96Å; A105-E108 PolarHBondContact O-N 2.96Å; A105-E108 VanDerWaalsContact O-N 3.13Å | ||
| 106 | P | 50.2 | Low | 49.8 | Very low | 97 Ų | 97 | 107 Ų | 107 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -54.2 | -33.6 | -174.8 | -29.7 | 35.7 | 0 | 0 | 0 | 114.6 | E108 C110 | P106-E108 VanDerWaalsContact C-N 3.34Å; P106-E108 PolarHBondContact O-N 2.69Å; P106-C110 PolarHBondContact O-N 3.28Å |
| 107 | N | 53 | Low | 50.2 | Low | 130 Ų | 130 | 107.8 Ų | 107.8 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.9 | -30.9 | -176.1 | -62.6 | 8.8 | 0 | 0 | 0 | 113.3 | A105 | A105-N107 PolarHBondContact O-N 2.96Å |
| 108 | E | 46.7 | Very low | 50.9 | Low | 140 Ų | 140 | 105.7 Ų | 105.7 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -82.2 | -39.2 | -177.1 | -65 | -178.8 | 148.4 | 0 | 0 | 111.6 | A105 P106 | A105-E108 PolarHBondContact O-N 2.96Å; A105-E108 VanDerWaalsContact O-N 3.13Å; P106-E108 VanDerWaalsContact C-N 3.34Å; P106-E108 PolarHBondContact O-N 2.69Å |
| 109 | L | 44.1 | Very low | 52.2 | Low | 57 Ų | 57 | 107.8 Ų | 107.8 | 30% | 0.298 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.5 | -42.2 | 175.6 | -75.8 | 175 | 0 | 0 | 0 | 112.1 | T101 C104 Q111 F113 | T101-L109 HydrophobicContact CG2-CD1 4.28Å; T101-L109 HydrophobicContact CG2-CD2 4.5Å; C104-L109 HydrophobicContact CB-CD1 3.72Å; C104-L109 HydrophobicContact CB-CD2 4.28Å; C104-L109 HydrophobicContact CB-CG 3.74Å; L109-Q111 PolarHBondContact O-N 3.31Å; L109-F113 WeakPolarHBondContact O-CD2 3.22Å |
| 110 | C | 51 | Low | 53.5 | Low | 92 Ų | 92 | 101.7 Ų | 101.7 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.7 | -33.2 | -176.6 | -74.8 | 0 | 0 | 0 | 0 | 113.8 | P106 S114 | P106-C110 PolarHBondContact O-N 3.28Å; C110-S114 VanDerWaalsContact O-CB 3.3Å; C110-S114 WeakPolarHBondContact O-CB 3.44Å; C110-S114 PolarHBondContact O-N 2.9Å |
| 111 | Q | 49.7 | Very low | 55 | Low | 138 Ų | 138 | 98.3 Ų | 98.3 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.3 | -48.1 | -179.7 | -72.7 | -175.4 | -23.3 | 0 | 0 | 112.1 | L109 F113 S114 D115 | L109-Q111 PolarHBondContact O-N 3.31Å; Q111-F113 VanDerWaalsContact C-N 3.26Å; Q111-F113 PolarHBondContact O-N 3.03Å; Q111-S114 PolarHBondContact O-N 2.91Å; Q111-D115 PolarHBondContact O-N 2.84Å; Q111-D115 VanDerWaalsContact O-N 3.16Å |
| 112 | A | 44.8 | Very low | 56.7 | Low | 66 Ų | 66 | 97.2 Ų | 97.2 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.5 | -31.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V116 | A112-V116 WeakPolarHBondContact O-CG2 3.19Å |
| 113 | F | 46 | Very low | 58.4 | Low | 145 Ų | 145 | 92.1 Ų | 92.1 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -83.6 | -32.1 | 173.6 | -77.6 | -92.6 | 0 | 0 | 0 | 113 | L109 Q111 V116 L117 | L109-F113 WeakPolarHBondContact O-CD2 3.22Å; Q111-F113 VanDerWaalsContact C-N 3.26Å; Q111-F113 PolarHBondContact O-N 3.03Å; F113-V116 PolarHBondContact O-N 3.48Å; F113-L117 VanDerWaalsContact O-CG 3.28Å; F113-L117 WeakPolarHBondContact O-CG 3.04Å; F113-L117 PolarHBondContact O-N 3.14Å; F113-L117 VanDerWaalsContact O-N 3.13Å |
| 114 | S | 55.9 | Low | 60.3 | Low | 54 Ų | 54 | 88.9 Ų | 88.9 | 38% | 0.378 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | -179.2 | -175 | 0 | 0 | 0 | 0 | 112.7 | C110 Q111 V116 L117 L118 | C110-S114 VanDerWaalsContact O-CB 3.3Å; C110-S114 WeakPolarHBondContact O-CB 3.44Å; C110-S114 PolarHBondContact O-N 2.9Å; Q111-S114 PolarHBondContact O-N 2.91Å; S114-V116 PolarHBondContact O-N 3.31Å; S114-L117 PolarHBondContact O-N 3.39Å; S114-L118 PolarHBondContact O-N 3.08Å; S114-L118 VanDerWaalsContact O-N 3.1Å |
| 115 | D | 48.8 | Very low | 62.3 | Low | 82 Ų | 82 | 88.4 Ų | 88.4 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.3 | -12 | -178.7 | -71.6 | -22.9 | 0 | 0 | 0 | 113.2 | Q111 H334 | Q111-D115 PolarHBondContact O-N 2.84Å; Q111-D115 VanDerWaalsContact O-N 3.16Å; D115-H334 IonicContact OD1-CE1 2.68Å; D115-H334 PolarHBondContact OD1-CE1 2.72Å; D115-H334 VanDerWaalsContact OD1-CE1 3.31Å; D115-H334 IonicContact OD1-ND1 3.81Å; D115-H334 PolarHBondContact OD1-ND1 3.22Å; D115-H334 VanDerWaalsContact OD1-ND1 3.16Å; D115-H334 IonicContact OD2-CE1 3.7Å |
| 116 | V | 52.3 | Low | 64 | Low | 124 Ų | 124 | 92.4 Ų | 92.4 | 75% | 0.752 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -91.1 | -27.8 | 171.6 | 175 | 0 | 0 | 0 | 0 | 111.8 | A112 F113 S114 | A112-V116 WeakPolarHBondContact O-CG2 3.19Å; F113-V116 PolarHBondContact O-N 3.48Å; S114-V116 PolarHBondContact O-N 3.31Å |
| 117 | L | 55.5 | Low | 66 | Low | 145 Ų | 145 | 88.7 Ų | 88.7 | 76% | 0.759 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -81.4 | -27.4 | 177.3 | -73.6 | 170 | 0 | 0 | 0 | 113.1 | F113 S114 | F113-L117 VanDerWaalsContact O-CG 3.28Å; F113-L117 WeakPolarHBondContact O-CG 3.04Å; F113-L117 PolarHBondContact O-N 3.14Å; F113-L117 VanDerWaalsContact O-N 3.13Å; S114-L117 PolarHBondContact O-N 3.39Å |
| 118 | L | 62.1 | Low | 67.6 | Low | 74 Ų | 74 | 90 Ų | 90 | 39% | 0.387 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -94.2 | 120.5 | 171.6 | -63 | 176 | 0 | 0 | 0 | 109.3 | S114 I120 | S114-L118 PolarHBondContact O-N 3.08Å; S114-L118 VanDerWaalsContact O-N 3.1Å; L118-I120 HydrophobicContact CB-CD1 3.59Å; L118-I120 HydrophobicContact CB-CG1 3.77Å; L118-I120 HydrophobicContact CD1-CD1 4.12Å; L118-I120 PolarHBondContact O-N 3.1Å |
| 119 | N | 72.6 | Confident | 69.6 | Low | 171 Ų | 171 | 89.2 Ų | 89.2 | 91% | 0.914 | 48% | 0.481 | S | S | * | . | trans | -74.6 | 67.3 | 179 | -170.4 | 18.5 | 0 | 0 | 0 | 111.7 | K121 | N119-K121 PolarHBondContact O-N 2.89Š| ||
| 120 | I | 83.1 | Confident | 71.7 | Confident | 33 Ų | 33 | 89.9 Ų | 89.9 | 17% | 0.169 | 49% | 0.485 | C | S | . | . | trans | -82.1 | 106.4 | -174.1 | -66 | 159 | 0 | 0 | 0 | 108.8 | L118 D122 T331 H334 Y335 | L118-I120 HydrophobicContact CB-CD1 3.59Å; L118-I120 HydrophobicContact CB-CG1 3.77Å; L118-I120 HydrophobicContact CD1-CD1 4.12Å; L118-I120 PolarHBondContact O-N 3.1Å; I120-D122 PolarHBondContact O-N 3.15Å; I120-T331 HydrophobicContact CG2-CG2 4.35Å; I120-H334 HydrophobicContact CD1-CB 3.91Å; I120-Y335 HydrophobicContact CG2-CE2 4.22Å | ||
| 121 | K | 85.2 | Confident | 73.5 | Confident | 109 Ų | 109 | 90.6 Ų | 90.6 | 47% | 0.474 | 49% | 0.488 | S | S | . | . | trans | -54.6 | 123.4 | 168.9 | 175.5 | -176.3 | 175.6 | -177.2 | 0 | 109.3 | N119 V123 E281 | N119-K121 PolarHBondContact O-N 2.89Å; K121-V123 PolarHBondContact O-N 3.16Å; K121-V123 VanDerWaalsContact O-N 3.17Å; K121-E281 IonicContact NZ-OE1 2.74Å; K121-E281 PolarHBondContact NZ-OE1 2.94Å | ||
| 122 | D | 88 | Confident | 75.3 | Confident | 63 Ų | 63 | 92 Ų | 92 | 34% | 0.337 | 50% | 0.497 | S | S | . | . | trans | -68.7 | 113.9 | 167.2 | -161.2 | -31.7 | 0 | 0 | 0 | 109 | I120 D124 A125 K139 Y335 | I120-D122 PolarHBondContact O-N 3.15Å; D122-D124 PolarHBondContact O-N 3.45Å; D122-D124 PolarHBondContact OD1-N 3.28Å; D122-A125 HydrophobicContact CB-CB 4.46Å; D122-K139 IonicContact OD1-NZ 3.23Å; D122-K139 IonicContact OD2-NZ 2.65Å; D122-K139 PolarHBondContact OD2-NZ 3.29Å; D122-Y335 WeakPolarHBondContact CA-OH 3.4Å; D122-Y335 PolarHBondContact OD1-OH 3.4Å; D122-Y335 VanDerWaalsContact OD1-OH 3.05Å | ||
| 123 | V | 89.2 | Confident | 77.3 | Confident | 14 Ų | 14 | 92.4 Ų | 92.4 | 9% | 0.085 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -6 | -175.7 | -58.2 | 0 | 0 | 0 | 0 | 113 | K121 K278 I279 T331 Y335 | K121-V123 PolarHBondContact O-N 3.16Å; K121-V123 VanDerWaalsContact O-N 3.17Å; V123-K278 WeakPolarHBondContact O-CE 3.14Å; V123-K278 PolarHBondContact O-NZ 3.01Å; V123-I279 HydrophobicContact CG1-CB 4.47Å; V123-I279 HydrophobicContact CG1-CG1 4.21Å; V123-I279 HydrophobicContact CG1-CG2 4.3Å; V123-I279 HydrophobicContact CG2-CG1 4Å; V123-T331 HydrophobicContact CG1-CG2 4.04Å; V123-Y335 HydrophobicContact CB-CE2 4.37Å; V123-Y335 HydrophobicContact CG1-CD2 4.38Å; V123-Y335 HydrophobicContact CG1-CE2 3.86Å; V123-Y335 HydrophobicContact CG2-CD2 4.26Å; V123-Y335 HydrophobicContact CG2-CE1 4.29Å; V123-Y335 HydrophobicContact CG2-CE2 3.78Å; V123-Y335 PolarHBondContact N-OH 2.98Å |
| 124 | D | 90.3 | Very high | 79.3 | Confident | 9 Ų | 9 | 88.2 Ų | 88.2 | 5% | 0.048 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 6.1 | -176 | -52.6 | -53.7 | 0 | 0 | 0 | 113.5 | D122 D126 D127 V138 R275 K278 | D122-D124 PolarHBondContact O-N 3.45Å; D122-D124 PolarHBondContact OD1-N 3.28Å; D124-D126 VanDerWaalsContact C-N 3.3Å; D124-D126 PolarHBondContact O-N 3.35Å; D124-D127 WeakPolarHBondContact O-CB 3.4Å; D124-D127 PolarHBondContact O-N 2.92Å; D124-V138 HydrophobicContact CB-CG1 4.21Å; D124-V138 VanDerWaalsContact OD2-CG1 3.25Å; D124-V138 WeakPolarHBondContact OD2-CG1 3.45Å; D124-R275 IonicContact OD1-CZ 2.63Å; D124-R275 IonicContact OD1-NH1 2.67Å; D124-R275 PolarHBondContact OD1-NH1 3.44Å; D124-R275 IonicContact OD1-NH2 3.87Å; D124-R275 IonicContact OD2-CZ 3.62Å; D124-R275 VanDerWaalsContact OD2-CZ 3.24Å; D124-R275 IonicContact OD2-NH1 2.68Å; D124-R275 PolarHBondContact OD2-NH1 3.12Å; D124-R275 IonicContact OD2-NH2 2.81Å; D124-R275 PolarHBondContact OD2-NH2 3.29Å; D124-K278 IonicContact OD1-NZ 2.65Å; D124-K278 PolarHBondContact OD1-NZ 2.84Å |
| 125 | A | 88.1 | Confident | 80.9 | Confident | 60 Ų | 60 | 86.7 Ų | 86.7 | 50% | 0.496 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -37.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D122 | D122-A125 HydrophobicContact CB-CB 4.46Š|
| 126 | D | 88.1 | Confident | 82.9 | Confident | 137 Ų | 137 | 89.1 Ų | 89.1 | 73% | 0.733 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 1.9 | -177.6 | -56.9 | -56.8 | 0 | 0 | 0 | 113.6 | D124 | D124-D126 VanDerWaalsContact C-N 3.3Å; D124-D126 PolarHBondContact O-N 3.35Å |
| 127 | D | 91 | Very high | 84.8 | Confident | 19 Ų | 19 | 90.7 Ų | 90.7 | 10% | 0.102 | 47% | 0.473 | C | S | . | . | trans | -82.7 | -12.5 | -173.1 | -81.1 | 31.3 | 0 | 0 | 0 | 114.2 | D124 D129 N130 L133 K278 | D124-D127 WeakPolarHBondContact O-CB 3.4Å; D124-D127 PolarHBondContact O-N 2.92Å; D127-D129 VanDerWaalsContact C-N 3.26Å; D127-D129 PolarHBondContact O-N 3.12Å; D127-D129 VanDerWaalsContact O-N 3.11Å; D127-N130 PolarHBondContact O-N 2.87Å; D127-L133 HydrophobicContact CB-CB 4.16Å; D127-L133 HydrophobicContact CB-CD1 4.02Å; D127-L133 VanDerWaalsContact CG-CD1 3.44Å; D127-L133 VanDerWaalsContact OD2-CB 3.3Å; D127-L133 WeakPolarHBondContact OD2-CB 3.02Å; D127-L133 VanDerWaalsContact OD2-CD1 3.24Å; D127-L133 WeakPolarHBondContact OD2-CD1 3.33Å; D127-K278 IonicContact OD1-NZ 3.62Å; D127-K278 PolarHBondContact OD1-NZ 2.9Å; D127-K278 IonicContact OD2-NZ 2.91Å; D127-K278 PolarHBondContact OD2-NZ 2.96Å | ||
| 128 | Y | 86.7 | Confident | 86.6 | Confident | 157 Ų | 157 | 84.3 Ų | 84.3 | 62% | 0.616 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.5 | -164.7 | 71.7 | -91.8 | 0 | 0 | 0 | 114.2 | N130 | Y128-N130 PolarHBondContact O-N 3.08Š|
| 129 | D | 89.1 | Confident | 88 | Confident | 125 Ų | 125 | 85.3 Ų | 85.3 | 67% | 0.668 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -2.9 | 177.2 | -89.2 | -39.3 | 0 | 0 | 0 | 113.4 | D127 P131 | D127-D129 VanDerWaalsContact C-N 3.26Å; D127-D129 PolarHBondContact O-N 3.12Å; D127-D129 VanDerWaalsContact O-N 3.11Å; D129-P131 WeakPolarHBondContact O-CD 3.41Å |
| 130 | N | 88.9 | Confident | 89.1 | Confident | 70 Ų | 70 | 81.3 Ų | 81.3 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | trans | -121.3 | 94.3 | -177.1 | -171.4 | -5.1 | 0 | 0 | 0 | 113.2 | D127 Y128 M132 L133 | D127-N130 PolarHBondContact O-N 2.87Å; Y128-N130 PolarHBondContact O-N 3.08Å; N130-M132 PolarHBondContact O-N 3.08Å; N130-M132 WeakPolarHBondContact OD1-CB 3.18Å; N130-M132 PolarHBondContact OD1-N 2.85Å; N130-M132 VanDerWaalsContact OD1-N 3.13Å; N130-L133 HydrophobicContact CB-CD1 3.91Å; N130-L133 HydrophobicContact CB-CG 4.12Å; N130-L133 WeakPolarHBondContact ND2-CD1 3.32Å; N130-L133 PolarHBondContact O-N 2.91Å | ||
| 131 | P | 88.6 | Confident | 89.6 | Confident | 108 Ų | 108 | 83 Ų | 83 | 70% | 0.701 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -11.8 | 177.8 | -27.8 | 35.8 | 0 | 0 | 0 | 116.3 | D129 C134 | D129-P131 WeakPolarHBondContact O-CD 3.41Å; P131-C134 PolarHBondContact O-SG 3.25Å |
| 132 | M | 86.8 | Confident | 90.1 | Very high | 167 Ų | 167 | 79.9 Ų | 79.9 | 82% | 0.823 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.4 | 175.8 | -60.1 | -67.9 | 164 | 0 | 0 | 113.4 | N130 | N130-M132 PolarHBondContact O-N 3.08Å; N130-M132 WeakPolarHBondContact OD1-CB 3.18Å; N130-M132 PolarHBondContact OD1-N 2.85Å; N130-M132 VanDerWaalsContact OD1-N 3.13Å |
| 133 | L | 87 | Confident | 90.4 | Very high | 75 Ų | 75 | 82.9 Ų | 82.9 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -19.3 | 178 | -58.7 | 177.6 | 0 | 0 | 0 | 112.6 | D127 N130 S135 | D127-L133 HydrophobicContact CB-CB 4.16Å; D127-L133 HydrophobicContact CB-CD1 4.02Å; D127-L133 VanDerWaalsContact CG-CD1 3.44Å; D127-L133 VanDerWaalsContact OD2-CB 3.3Å; D127-L133 WeakPolarHBondContact OD2-CB 3.02Å; D127-L133 VanDerWaalsContact OD2-CD1 3.24Å; D127-L133 WeakPolarHBondContact OD2-CD1 3.33Å; N130-L133 HydrophobicContact CB-CD1 3.91Å; N130-L133 HydrophobicContact CB-CG 4.12Å; N130-L133 WeakPolarHBondContact ND2-CD1 3.32Å; N130-L133 PolarHBondContact O-N 2.91Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 2.95Å |
| 134 | C | 88.6 | Confident | 90.7 | Very high | 57 Ų | 57 | 89.1 Ų | 89.1 | 39% | 0.385 | 45% | 0.448 | S | S | . | . | trans | 52.6 | 43.9 | 175 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | P131 D136 Y137 V138 I141 | P131-C134 PolarHBondContact O-SG 3.25Å; C134-D136 PolarHBondContact O-N 2.89Å; C134-D136 VanDerWaalsContact O-N 3.12Å; C134-Y137 CarbonylContact O-C 3.53Å; C134-Y137 PolarHBondContact O-N 2.99Å; C134-V138 PolarHBondContact O-N 3.18Å; C134-I141 HydrophobicContact CB-CD1 4.31Å | ||
| 135 | S | 89.4 | Confident | 91 | Very high | 22 Ų | 22 | 89.6 Ų | 89.6 | 15% | 0.154 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -43.8 | -46.2 | -176.7 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | L133 Y137 V138 | L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 2.95Å; S135-Y137 PolarHBondContact O-N 3.22Å; S135-V138 VanDerWaalsContact O-CG1 3.29Å; S135-V138 WeakPolarHBondContact O-CG1 3.49Å; S135-V138 PolarHBondContact O-N 3.41Å |
| 136 | D | 89.9 | Confident | 91.4 | Very high | 133 Ų | 133 | 88.5 Ų | 88.5 | 71% | 0.711 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.4 | -30.4 | -177.4 | -48.9 | -28.8 | 0 | 0 | 0 | 112.7 | C134 | C134-D136 PolarHBondContact O-N 2.89Å; C134-D136 VanDerWaalsContact O-N 3.12Å |
| 137 | Y | 92.9 | Very high | 91.7 | Very high | 156 Ų | 156 | 87.9 Ų | 87.9 | 61% | 0.612 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -107.9 | -10.7 | -175.7 | -61 | -82.6 | 0 | 0 | 0 | 113.2 | C134 S135 K139 D140 I141 | C134-Y137 CarbonylContact O-C 3.53Å; C134-Y137 PolarHBondContact O-N 2.99Å; S135-Y137 PolarHBondContact O-N 3.22Å; Y137-K139 VanDerWaalsContact C-N 3.26Å; Y137-K139 PolarHBondContact O-N 2.91Å; Y137-D140 PolarHBondContact O-N 3.34Å; Y137-I141 WeakPolarHBondContact O-CG1 3.43Å; Y137-I141 PolarHBondContact O-N 3.3Å |
| 138 | V | 93.2 | Very high | 92 | Very high | 12 Ų | 12 | 88 Ų | 88 | 7% | 0.073 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58 | -39.4 | -168.4 | 76 | 0 | 0 | 0 | 0 | 112.1 | D124 C134 S135 D140 I141 Y142 | D124-V138 HydrophobicContact CB-CG1 4.21Å; D124-V138 VanDerWaalsContact OD2-CG1 3.25Å; D124-V138 WeakPolarHBondContact OD2-CG1 3.45Å; C134-V138 PolarHBondContact O-N 3.18Å; S135-V138 VanDerWaalsContact O-CG1 3.29Å; S135-V138 WeakPolarHBondContact O-CG1 3.49Å; S135-V138 PolarHBondContact O-N 3.41Å; V138-D140 PolarHBondContact O-N 2.97Å; V138-I141 PolarHBondContact O-N 3.12Å; V138-Y142 HydrophobicContact CG2-CD2 3.93Å; V138-Y142 HydrophobicContact CG2-CE2 3.7Å; V138-Y142 VanDerWaalsContact O-CD2 3.24Å; V138-Y142 WeakPolarHBondContact O-CD2 3.4Å; V138-Y142 PolarHBondContact O-N 3.35Å |
| 139 | K | 91.1 | Very high | 92.5 | Very high | 94 Ų | 94 | 81 Ų | 81 | 41% | 0.409 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 179.1 | -65.2 | 174.8 | -176 | 173.7 | 0 | 111.6 | D122 Y137 K143 | D122-K139 IonicContact OD1-NZ 3.23Å; D122-K139 IonicContact OD2-NZ 2.65Å; D122-K139 PolarHBondContact OD2-NZ 3.29Å; Y137-K139 VanDerWaalsContact C-N 3.26Å; Y137-K139 PolarHBondContact O-N 2.91Å; K139-K143 VanDerWaalsContact O-CG 3.27Å; K139-K143 WeakPolarHBondContact O-CG 3.36Å; K139-K143 PolarHBondContact O-N 3.27Å |
| 140 | D | 94.9 | Very high | 92.8 | Very high | 88 Ų | 88 | 81.1 Ų | 81.1 | 47% | 0.471 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -83.5 | -30.1 | 178.8 | -64.4 | -30 | 0 | 0 | 0 | 112.9 | Y137 V138 K143 Y144 | Y137-D140 PolarHBondContact O-N 3.34Å; V138-D140 PolarHBondContact O-N 2.97Å; D140-K143 PolarHBondContact O-N 2.94Å; D140-K143 IonicContact OD1-NZ 3.24Å; D140-K143 PolarHBondContact OD1-NZ 3.13Å; D140-Y144 WeakPolarHBondContact O-CB 3.34Å; D140-Y144 PolarHBondContact O-N 3.07Å |
| 141 | I | 95.4 | Very high | 93.1 | Very high | 68 Ų | 68 | 82.9 Ų | 82.9 | 35% | 0.349 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 169.3 | -69.9 | 165.2 | 0 | 0 | 0 | 110 | C134 Y137 V138 Y144 L145 | C134-I141 HydrophobicContact CB-CD1 4.31Å; Y137-I141 WeakPolarHBondContact O-CG1 3.43Å; Y137-I141 PolarHBondContact O-N 3.3Å; V138-I141 PolarHBondContact O-N 3.12Å; I141-Y144 PolarHBondContact O-N 3.44Å; I141-L145 HydrophobicContact CG2-CD1 3.9Å; I141-L145 HydrophobicContact CG2-CG 4.35Å; I141-L145 VanDerWaalsContact O-CG 3.27Å; I141-L145 WeakPolarHBondContact O-CG 3.37Å; I141-L145 PolarHBondContact O-N 3.34Å |
| 142 | Y | 94.6 | Very high | 93.4 | Very high | 44 Ų | 44 | 78.2 Ų | 78.2 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 179.7 | -77.4 | -71.6 | 0 | 0 | 0 | 113.4 | V138 Y144 L145 Q146 Q271 F272 R275 | V138-Y142 HydrophobicContact CG2-CD2 3.93Å; V138-Y142 HydrophobicContact CG2-CE2 3.7Å; V138-Y142 VanDerWaalsContact O-CD2 3.24Å; V138-Y142 WeakPolarHBondContact O-CD2 3.4Å; V138-Y142 PolarHBondContact O-N 3.35Å; Y142-Y144 VanDerWaalsContact C-N 3.35Å; Y142-Y144 PolarHBondContact O-N 3.28Å; Y142-L145 HydrophobicContact CD1-CD1 4.08Å; Y142-L145 HydrophobicContact CE1-CD1 4.11Å; Y142-L145 PolarHBondContact O-N 2.76Å; Y142-Q146 WeakPolarHBondContact O-CB 3.5Å; Y142-Q146 WeakPolarHBondContact O-CG 3.32Å; Y142-Q146 PolarHBondContact O-N 3.14Å; Y142-Q271 PolarHBondContact OH-O 2.98Å; Y142-F272 AromaticContact CD1-CD1 3.86Å; Y142-F272 HydrophobicContact CD1-CD1 3.86Å; Y142-F272 AromaticContact CD1-CE1 3.89Å; Y142-F272 HydrophobicContact CD1-CE1 3.89Å; Y142-F272 HydrophobicContact CE1-CD1 4.09Å; Y142-F272 HydrophobicContact CE1-CE1 4.45Å; Y142-R275 HydrophobicContact CD1-CG 4.47Å; Y142-R275 HydrophobicContact CD2-CG 4.31Å; Y142-R275 HydrophobicContact CE1-CB 3.83Å; Y142-R275 HydrophobicContact CE1-CG 4.15Å; Y142-R275 HydrophobicContact CE2-CB 4.21Å; Y142-R275 HydrophobicContact CE2-CG 4Å |
| 143 | K | 94.6 | Very high | 93.8 | Very high | 126 Ų | 126 | 72.8 Ų | 72.8 | 55% | 0.548 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | 169.5 | -68.9 | 168.3 | -160 | 164.5 | 0 | 111.9 | K139 D140 Q146 K147 | K139-K143 VanDerWaalsContact O-CG 3.27Å; K139-K143 WeakPolarHBondContact O-CG 3.36Å; K139-K143 PolarHBondContact O-N 3.27Å; D140-K143 PolarHBondContact O-N 2.94Å; D140-K143 IonicContact OD1-NZ 3.24Å; D140-K143 PolarHBondContact OD1-NZ 3.13Å; K143-Q146 PolarHBondContact O-N 3.38Å; K143-K147 PolarHBondContact O-N 2.96Å |
| 144 | Y | 96.3 | Very high | 94.3 | Very high | 145 Ų | 145 | 69.5 Ų | 69.5 | 57% | 0.569 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.3 | -42.5 | 178.2 | 175.6 | -122.7 | 0 | 0 | 0 | 112.2 | D140 I141 Y142 K147 L148 | D140-Y144 WeakPolarHBondContact O-CB 3.34Å; D140-Y144 PolarHBondContact O-N 3.07Å; I141-Y144 PolarHBondContact O-N 3.44Å; Y142-Y144 VanDerWaalsContact C-N 3.35Å; Y142-Y144 PolarHBondContact O-N 3.28Å; Y144-K147 PolarHBondContact O-N 2.96Å; Y144-L148 HydrophobicContact CD1-CD1 3.93Å; Y144-L148 HydrophobicContact CD2-CD1 4.34Å; Y144-L148 HydrophobicContact CD2-CG 4.24Å; Y144-L148 HydrophobicContact CE1-CD1 3.46Å; Y144-L148 VanDerWaalsContact CE1-CD1 3.46Å; Y144-L148 HydrophobicContact CE1-CG 4.32Å; Y144-L148 HydrophobicContact CE2-CD1 3.9Å; Y144-L148 HydrophobicContact CE2-CD2 4.02Å; Y144-L148 HydrophobicContact CE2-CG 3.85Å; Y144-L148 HydrophobicContact CG-CD1 4.36Å; Y144-L148 VanDerWaalsContact CZ-CD1 3.44Å; Y144-L148 WeakPolarHBondContact O-CG 3.46Å; Y144-L148 PolarHBondContact O-N 3.13Å |
| 145 | L | 96.6 | Very high | 94.7 | Very high | 19 Ų | 19 | 71.8 Ų | 71.8 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 174.7 | -66.3 | 171.2 | 0 | 0 | 0 | 111.4 | I141 Y142 K147 L148 E149 P267 Q271 F272 | I141-L145 HydrophobicContact CG2-CD1 3.9Å; I141-L145 HydrophobicContact CG2-CG 4.35Å; I141-L145 VanDerWaalsContact O-CG 3.27Å; I141-L145 WeakPolarHBondContact O-CG 3.37Å; I141-L145 PolarHBondContact O-N 3.34Å; Y142-L145 HydrophobicContact CD1-CD1 4.08Å; Y142-L145 HydrophobicContact CE1-CD1 4.11Å; Y142-L145 PolarHBondContact O-N 2.76Å; L145-K147 VanDerWaalsContact C-N 3.31Å; L145-K147 PolarHBondContact O-N 3.23Å; L145-L148 PolarHBondContact O-N 3.01Å; L145-L148 VanDerWaalsContact O-N 3.13Å; L145-E149 PolarHBondContact O-N 3.32Å; L145-E149 VanDerWaalsContact O-N 3.11Å; L145-P267 HydrophobicContact CB-CB 4.03Å; L145-P267 HydrophobicContact CD2-CB 3.79Å; L145-P267 HydrophobicContact CG-CB 4.44Å; L145-P267 WeakPolarHBondContact O-CG 3.17Å; L145-Q271 HydrophobicContact CD1-CB 4.39Å; L145-F272 HydrophobicContact CB-CE1 4.18Å; L145-F272 HydrophobicContact CB-CZ 3.74Å |
| 146 | Q | 95 | Very high | 95.1 | Very high | 36 Ų | 36 | 74.6 Ų | 74.6 | 17% | 0.168 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 174.7 | -78 | 174.5 | -12.7 | 0 | 0 | 112.5 | Y142 K143 E149 F272 N337 | Y142-Q146 WeakPolarHBondContact O-CB 3.5Å; Y142-Q146 WeakPolarHBondContact O-CG 3.32Å; Y142-Q146 PolarHBondContact O-N 3.14Å; K143-Q146 PolarHBondContact O-N 3.38Å; Q146-E149 WeakPolarHBondContact O-CG 3.42Å; Q146-F272 HydrophobicContact CG-CE1 4.03Å; Q146-F272 HydrophobicContact CG-CZ 4.34Å; Q146-N337 PolarHBondContact NE2-ND2 3.34Å; Q146-N337 VanDerWaalsContact NE2-ND2 3.13Å; Q146-N337 PolarHBondContact OE1-ND2 3.48Å |
| 147 | K | 95.9 | Very high | 95.4 | Very high | 125 Ų | 125 | 73.5 Ų | 73.5 | 54% | 0.543 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 171.1 | -177.4 | 178.5 | 174.1 | -179.5 | 0 | 111.9 | K143 Y144 L145 E149 I150 D151 | K143-K147 PolarHBondContact O-N 2.96Å; Y144-K147 PolarHBondContact O-N 2.96Å; L145-K147 VanDerWaalsContact C-N 3.31Å; L145-K147 PolarHBondContact O-N 3.23Å; K147-E149 VanDerWaalsContact C-N 3.34Å; K147-E149 PolarHBondContact O-N 2.63Å; K147-I150 WeakPolarHBondContact O-CB 3.48Å; K147-I150 PolarHBondContact O-N 3.49Å; K147-I150 VanDerWaalsContact O-N 3.12Å; K147-D151 VanDerWaalsContact CE-OD2 3.27Å; K147-D151 WeakPolarHBondContact CE-OD2 3.39Å; K147-D151 PolarHBondContact O-N 3.09Å |
| 148 | L | 96.4 | Very high | 95.6 | Very high | 22 Ų | 22 | 67 Ų | 67 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.4 | -29.1 | -176.4 | -74.2 | 172.7 | 0 | 0 | 0 | 114.3 | Y144 L145 I150 Q152 P267 | Y144-L148 HydrophobicContact CD1-CD1 3.93Å; Y144-L148 HydrophobicContact CD2-CD1 4.34Å; Y144-L148 HydrophobicContact CD2-CG 4.24Å; Y144-L148 HydrophobicContact CE1-CD1 3.46Å; Y144-L148 VanDerWaalsContact CE1-CD1 3.46Å; Y144-L148 HydrophobicContact CE1-CG 4.32Å; Y144-L148 HydrophobicContact CE2-CD1 3.9Å; Y144-L148 HydrophobicContact CE2-CD2 4.02Å; Y144-L148 HydrophobicContact CE2-CG 3.85Å; Y144-L148 HydrophobicContact CG-CD1 4.36Å; Y144-L148 VanDerWaalsContact CZ-CD1 3.44Å; Y144-L148 WeakPolarHBondContact O-CG 3.46Å; Y144-L148 PolarHBondContact O-N 3.13Å; L145-L148 PolarHBondContact O-N 3.01Å; L145-L148 VanDerWaalsContact O-N 3.13Å; L148-I150 VanDerWaalsContact C-N 3.33Å; L148-Q152 VanDerWaalsContact O-CB 3.3Å; L148-Q152 WeakPolarHBondContact O-CB 3.47Å; L148-Q152 PolarHBondContact O-N 3.48Å; L148-P267 HydrophobicContact CB-CG 4.43Å |
| 149 | E | 96.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.8 | -28 | 173.2 | 48.5 | -172.4 | -179.4 | 0 | 0 | 113.4 | L145 Q146 K147 Q152 A153 P267 P307 P308 S309 | L145-E149 PolarHBondContact O-N 3.32Å; L145-E149 VanDerWaalsContact O-N 3.11Å; Q146-E149 WeakPolarHBondContact O-CG 3.42Å; K147-E149 VanDerWaalsContact C-N 3.34Å; K147-E149 PolarHBondContact O-N 2.63Å; E149-Q152 CarbonylContact O-C 3.6Å; E149-A153 WeakPolarHBondContact O-CA 3.48Å; E149-A153 PolarHBondContact O-N 2.81Å; E149-P267 HydrophobicContact CB-CG 3.57Å; E149-P267 HydrophobicContact CG-CG 4.22Å; E149-P307 HydrophobicContact CG-CB 4.35Å; E149-P307 WeakPolarHBondContact OE2-CB 3.3Å; E149-P308 HydrophobicContact CB-CG 4.35Å; E149-P308 WeakPolarHBondContact OE2-CD 3.46Å; E149-P308 VanDerWaalsContact OE2-N 3.16Å; E149-S309 WeakPolarHBondContact OE1-CB 3.48Å; E149-S309 PolarHBondContact OE1-OG 2.79Å; E149-S309 PolarHBondContact OE2-N 2.94Å; E149-S309 PolarHBondContact OE2-OG 2.99Å |
| 150 | I | 95.4 | Very high | 96 | Very high | 127 Ų | 127 | 66.2 Ų | 66.2 | 65% | 0.651 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -75.2 | -50.6 | 173 | -58.5 | 168.7 | 0 | 0 | 0 | 109.4 | K147 L148 Q152 A153 | K147-I150 WeakPolarHBondContact O-CB 3.48Å; K147-I150 PolarHBondContact O-N 3.49Å; K147-I150 VanDerWaalsContact O-N 3.12Å; L148-I150 VanDerWaalsContact C-N 3.33Å; I150-Q152 PolarHBondContact O-N 2.91Å; I150-Q152 VanDerWaalsContact O-N 3.11Å; I150-A153 WeakPolarHBondContact O-CB 3.48Å; I150-A153 PolarHBondContact O-N 2.99Å |
| 151 | D | 95.1 | Very high | 95.9 | Very high | 106 Ų | 106 | 66.4 Ų | 66.4 | 57% | 0.567 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60 | -23.1 | 177.5 | -71.1 | -18.1 | 0 | 0 | 0 | 112.7 | K147 | K147-D151 VanDerWaalsContact CE-OD2 3.27Å; K147-D151 WeakPolarHBondContact CE-OD2 3.39Å; K147-D151 PolarHBondContact O-N 3.09Å |
| 152 | Q | 95.2 | Very high | 95.8 | Very high | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 37.8 | 179.4 | -59.1 | 178.3 | 62.3 | 0 | 0 | 112.3 | L148 E149 I150 R199 G265 R266 | L148-Q152 VanDerWaalsContact O-CB 3.3Å; L148-Q152 WeakPolarHBondContact O-CB 3.47Å; L148-Q152 PolarHBondContact O-N 3.48Å; E149-Q152 CarbonylContact O-C 3.6Å; I150-Q152 PolarHBondContact O-N 2.91Å; I150-Q152 VanDerWaalsContact O-N 3.11Å; Q152-R199 VanDerWaalsContact OE1-CZ 3.29Å; Q152-G265 PolarHBondContact NE2-O 2.94Å; Q152-G265 VanDerWaalsContact NE2-O 3.1Å; Q152-R266 HydrophobicContact CB-CB 4.21Å; Q152-R266 HydrophobicContact CB-CG 4.02Å; Q152-R266 PolarHBondContact O-NE 3.18Å |
| 153 | A | 96.3 | Very high | 95.8 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | trans | -63.2 | 159.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E149 I150 | E149-A153 WeakPolarHBondContact O-CA 3.48Å; E149-A153 PolarHBondContact O-N 2.81Å; I150-A153 WeakPolarHBondContact O-CB 3.48Å; I150-A153 PolarHBondContact O-N 2.99Å | ||
| 154 | V | 97.4 | Very high | 96 | Very high | 7 Ų | 7 | 62.3 Ų | 62.3 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | trans | -114.6 | 132.6 | 173.2 | 173.1 | 0 | 0 | 0 | 0 | 108.5 | Y158 D198 R199 Q202 V304 H305 | V154-Y158 HydrophobicContact CG1-CD1 3.72Å; V154-Y158 HydrophobicContact CG1-CE1 3.88Å; V154-D198 HydrophobicContact CG1-CB 4.06Å; V154-D198 HydrophobicContact CG2-CB 3.92Å; V154-R199 HydrophobicContact CG2-CG 3.8Å; V154-Q202 VanDerWaalsContact CA-OE1 3.31Å; V154-V304 WeakPolarHBondContact CB-O 3.48Å; V154-V304 HydrophobicContact CG1-CB 4.08Å; V154-V304 HydrophobicContact CG1-CG2 4.06Å; V154-H305 WeakPolarHBondContact O-CA 3.27Å | ||
| 155 | K | 97.1 | Very high | 96 | Very high | 104 Ų | 104 | 58.7 Ų | 58.7 | 45% | 0.452 | 34% | 0.341 | S | S | . | . | trans | -66.7 | 134.9 | -178.4 | -63.4 | 162.2 | -174.3 | 171.2 | 0 | 110.5 | Y158 Q202 D203 | K155-Y158 WeakPolarHBondContact O-CD1 3.39Å; K155-Q202 HydrophobicContact CD-CB 4.45Å; K155-D203 IonicContact NZ-OD1 3.37Å; K155-D203 PolarHBondContact NZ-OD1 2.8Å; K155-D203 IonicContact NZ-OD2 3.7Å | ||
| 156 | P | 97.1 | Very high | 96.1 | Very high | 82 Ų | 82 | 58.6 Ų | 58.6 | 53% | 0.532 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 144.1 | 168.4 | 27.1 | -33.6 | 0 | 0 | 0 | 110.1 | Y158 H305 | P156-Y158 VanDerWaalsContact C-N 3.25Å; P156-Y158 PolarHBondContact O-N 2.99Å; P156-H305 HydrophobicContact CB-CB 3.82Å; P156-H305 HydrophobicContact CG-CB 4.45Å |
| 157 | N | 95.9 | Very high | 96.2 | Very high | 109 Ų | 109 | 61.2 Ų | 61.2 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 27.7 | 177.3 | -66.7 | -44.3 | 0 | 0 | 0 | 116.3 | L159 A160 Y301 | N157-L159 PolarHBondContact O-N 2.95Å; N157-A160 WeakPolarHBondContact O-CB 3.33Å; N157-A160 PolarHBondContact O-N 3.07Å; N157-Y301 WeakPolarHBondContact CA-OH 3.39Å; N157-Y301 PolarHBondContact O-OH 3.5Å |
| 158 | Y | 97.4 | Very high | 96.3 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 8% | 0.075 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.1 | -174.6 | 74.9 | -100 | 0 | 0 | 0 | 116.7 | V154 K155 P156 A160 Q162 R169 D198 L201 Q202 Y301 V304 | V154-Y158 HydrophobicContact CG1-CD1 3.72Å; V154-Y158 HydrophobicContact CG1-CE1 3.88Å; K155-Y158 WeakPolarHBondContact O-CD1 3.39Å; P156-Y158 VanDerWaalsContact C-N 3.25Å; P156-Y158 PolarHBondContact O-N 2.99Å; Y158-A160 VanDerWaalsContact C-N 3.35Å; Y158-Q162 PolarHBondContact O-NE2 3.21Å; Y158-R169 WeakPolarHBondContact OH-CD 3.41Å; Y158-D198 HydrophobicContact CE1-CB 4.29Å; Y158-D198 PolarHBondContact OH-OD1 3.18Å; Y158-L201 HydrophobicContact CD2-CB 4.31Å; Y158-L201 HydrophobicContact CE2-CB 3.54Å; Y158-Q202 HydrophobicContact CD1-CB 4.35Å; Y158-Q202 VanDerWaalsContact CD2-CA 3.47Å; Y158-Q202 HydrophobicContact CD2-CB 3.78Å; Y158-Q202 HydrophobicContact CG-CB 3.64Å; Y158-Y301 HydrophobicContact CD1-CE2 4.18Å; Y158-Y301 HydrophobicContact CE1-CD2 4.44Å; Y158-Y301 AromaticContact CE1-CE2 3.9Å; Y158-Y301 HydrophobicContact CE1-CE2 3.9Å; Y158-Y301 PolarHBondContact N-OH 3.27Å; Y158-V304 HydrophobicContact CD1-CG2 4.03Å; Y158-V304 HydrophobicContact CE1-CB 4.27Å; Y158-V304 HydrophobicContact CE1-CG1 4.34Å; Y158-V304 HydrophobicContact CE1-CG2 3.87Å |
| 159 | L | 97.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.5 | 173.6 | -63.8 | 177.9 | 0 | 0 | 0 | 113.9 | N157 G161 Q162 I164 R169 Y301 | N157-L159 PolarHBondContact O-N 2.95Å; L159-G161 PolarHBondContact O-N 3.12Å; L159-Q162 HydrophobicContact CD2-CB 4.47Å; L159-Q162 WeakPolarHBondContact O-CB 3.27Å; L159-Q162 PolarHBondContact O-N 3.11Å; L159-I164 WeakPolarHBondContact CB-O 3.14Å; L159-I164 HydrophobicContact CD1-CG2 4.15Å; L159-I164 HydrophobicContact CD2-CB 4.03Å; L159-I164 HydrophobicContact CD2-CG2 4.14Å; L159-R169 HydrophobicContact CD1-CB 4.3Å; L159-Y301 HydrophobicContact CB-CE2 3.98Å; L159-Y301 VanDerWaalsContact CB-OH 3.32Å; L159-Y301 WeakPolarHBondContact CB-OH 3.36Å; L159-Y301 HydrophobicContact CD1-CD2 3.98Å; L159-Y301 HydrophobicContact CD1-CE2 3.61Å; L159-Y301 HydrophobicContact CG-CE2 3.71Å; L159-Y301 PolarHBondContact N-OH 3.49Å |
| 160 | A | 95.4 | Very high | 96.4 | Very high | 81 Ų | 81 | 55.3 Ų | 55.3 | 67% | 0.669 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 124 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N157 Y158 Q162 | N157-A160 WeakPolarHBondContact O-CB 3.33Å; N157-A160 PolarHBondContact O-N 3.07Å; Y158-A160 VanDerWaalsContact C-N 3.35Å; A160-Q162 VanDerWaalsContact C-N 3.3Å; A160-Q162 PolarHBondContact O-N 3Å |
| 161 | G | 92.3 | Very high | 96.6 | Very high | 92 Ų | 92 | 52.1 Ų | 52.1 | 95% | 0.948 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 0.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L159 | L159-G161 PolarHBondContact O-N 3.12Š|
| 162 | Q | 94.6 | Very high | 96.7 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -87 | 159.5 | 175.2 | -58.4 | -159.6 | 35.1 | 0 | 0 | 112.7 | Y158 L159 A160 I164 L201 | Y158-Q162 PolarHBondContact O-NE2 3.21Å; L159-Q162 HydrophobicContact CD2-CB 4.47Å; L159-Q162 WeakPolarHBondContact O-CB 3.27Å; L159-Q162 PolarHBondContact O-N 3.11Å; A160-Q162 VanDerWaalsContact C-N 3.3Å; A160-Q162 PolarHBondContact O-N 3Å; Q162-I164 PolarHBondContact O-N 2.98Å; Q162-L201 PolarHBondContact NE2-O 3.25Å |
| 163 | E | 94.9 | Very high | 96.9 | Very high | 114 Ų | 114 | 47 Ų | 47 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -65.5 | -27.8 | 170.1 | -160 | -155.9 | 160.2 | 0 | 0 | 111.8 | P207 K208 | E163-P207 WeakPolarHBondContact OE2-CA 3.37Å; E163-K208 WeakPolarHBondContact OE1-CB 3.47Å; E163-K208 PolarHBondContact OE2-N 3.36Å |
| 164 | I | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -82.4 | 120.5 | 178.3 | -50.4 | -52.5 | 0 | 0 | 0 | 109.4 | L159 Q162 M168 V206 K208 L211 | L159-I164 WeakPolarHBondContact CB-O 3.14Å; L159-I164 HydrophobicContact CD1-CG2 4.15Å; L159-I164 HydrophobicContact CD2-CB 4.03Å; L159-I164 HydrophobicContact CD2-CG2 4.14Å; Q162-I164 PolarHBondContact O-N 2.98Å; I164-M168 HydrophobicContact CD1-CE 3.73Å; I164-M168 HydrophobicContact CG2-CB 4.35Å; I164-M168 HydrophobicContact CG2-CE 4.47Å; I164-V206 HydrophobicContact CD1-CG2 4.23Å; I164-V206 WeakPolarHBondContact CD1-O 3.45Å; I164-V206 HydrophobicContact CG1-CG2 3.95Å; I164-V206 WeakPolarHBondContact CG1-O 3.35Å; I164-K208 HydrophobicContact CD1-CB 4.34Å; I164-L211 HydrophobicContact CD1-CB 4.15Å; I164-L211 HydrophobicContact CD1-CD1 4.37Å; I164-L211 HydrophobicContact CD1-CD2 4.31Å; I164-L211 HydrophobicContact CG1-CD1 4.46Å; I164-L211 HydrophobicContact CG2-CD1 3.91Å; I164-L211 HydrophobicContact CG2-CD2 4Å |
| 165 | T | 97.5 | Very high | 97.1 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | trans | -93.7 | 158.4 | 175.2 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | N167 M168 R169 | T165-N167 PolarHBondContact O-N 2.97Å; T165-M168 HydrophobicContact CG2-SD 4.41Å; T165-M168 WeakPolarHBondContact O-CA 3.46Å; T165-M168 WeakPolarHBondContact O-CB 3.43Å; T165-M168 PolarHBondContact O-N 3.1Å; T165-M168 WeakPolarHBondContact OG1-CG 3.47Å; T165-M168 PolarHBondContact OG1-N 2.79Å; T165-M168 PolarHBondContact OG1-SD 3.13Å; T165-R169 PolarHBondContact O-N 3Å | ||
| 166 | G | 97.4 | Very high | 97.1 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.6 | -31.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R169 A170 | G166-R169 WeakPolarHBondContact O-CB 3.45Å; G166-R169 PolarHBondContact O-N 3.32Å; G166-A170 WeakPolarHBondContact O-CB 3.41Å; G166-A170 PolarHBondContact O-N 3.05Å |
| 167 | N | 96.9 | Very high | 97.2 | Very high | 92 Ų | 92 | 37.8 Ų | 37.8 | 49% | 0.492 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.2 | -33 | 172.8 | -178.1 | 52.3 | 0 | 0 | 0 | 112.8 | T165 A170 I171 H364 | T165-N167 PolarHBondContact O-N 2.97Å; N167-A170 PolarHBondContact O-N 2.93Å; N167-I171 VanDerWaalsContact O-CG1 3.29Å; N167-I171 WeakPolarHBondContact O-CG1 3.18Å; N167-I171 PolarHBondContact O-N 2.95Å; N167-H364 PolarHBondContact OD1-NE2 2.67Å |
| 168 | M | 98.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 37 Ų | 37 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.2 | -37.2 | 173.1 | -72.6 | 164 | 48.7 | 0 | 0 | 111.8 | I164 T165 I171 L172 K208 L211 | I164-M168 HydrophobicContact CD1-CE 3.73Å; I164-M168 HydrophobicContact CG2-CB 4.35Å; I164-M168 HydrophobicContact CG2-CE 4.47Å; T165-M168 HydrophobicContact CG2-SD 4.41Å; T165-M168 WeakPolarHBondContact O-CA 3.46Å; T165-M168 WeakPolarHBondContact O-CB 3.43Å; T165-M168 PolarHBondContact O-N 3.1Å; T165-M168 WeakPolarHBondContact OG1-CG 3.47Å; T165-M168 PolarHBondContact OG1-N 2.79Å; T165-M168 PolarHBondContact OG1-SD 3.13Å; M168-I171 PolarHBondContact O-N 2.91Å; M168-L172 PolarHBondContact O-N 3.19Å; M168-L172 VanDerWaalsContact O-N 3.09Å; M168-K208 HydrophobicContact CE-CB 3.9Å; M168-K208 HydrophobicContact CE-CD 3.71Å; M168-K208 HydrophobicContact CE-CG 3.59Å; M168-K208 HydrophobicContact SD-CD 4.32Å; M168-L211 HydrophobicContact CB-CD2 3.9Å; M168-L211 HydrophobicContact CE-CD2 4.32Å |
| 169 | R | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -49.9 | 166.6 | 179.4 | -166.9 | 175 | -77.3 | -6.1 | 110.6 | Y158 L159 T165 G166 I171 L172 I173 V194 D198 M298 | Y158-R169 WeakPolarHBondContact OH-CD 3.41Å; L159-R169 HydrophobicContact CD1-CB 4.3Å; T165-R169 PolarHBondContact O-N 3Å; G166-R169 WeakPolarHBondContact O-CB 3.45Å; G166-R169 PolarHBondContact O-N 3.32Å; R169-I171 VanDerWaalsContact C-N 3.35Å; R169-I171 PolarHBondContact O-N 3Å; R169-L172 WeakPolarHBondContact O-CB 3.46Å; R169-L172 PolarHBondContact O-N 3.02Å; R169-L172 VanDerWaalsContact O-N 3.08Å; R169-I173 HydrophobicContact CG-CG1 4.33Å; R169-I173 WeakPolarHBondContact O-CG1 3.27Å; R169-I173 PolarHBondContact O-N 2.87Å; R169-V194 VanDerWaalsContact NH2-CG1 3.29Å; R169-D198 IonicContact CZ-OD1 2.72Å; R169-D198 IonicContact CZ-OD2 2.71Å; R169-D198 IonicContact NE-OD1 3.31Å; R169-D198 PolarHBondContact NE-OD1 3.05Å; R169-D198 IonicContact NE-OD2 2.66Å; R169-D198 IonicContact NH2-OD1 3.65Å; R169-D198 PolarHBondContact NH2-OD1 3.27Å; R169-D198 VanDerWaalsContact NH2-OD1 3.17Å; R169-D198 IonicContact NH2-OD2 2.78Å; R169-D198 PolarHBondContact NH2-OD2 3.4Å; R169-M298 PolarHBondContact NH1-O 3.05Å; R169-M298 PolarHBondContact NH2-O 3.2Å; R169-M298 VanDerWaalsContact NH2-O 3.14Å |
| 170 | A | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G166 N167 I173 D174 V299 H364 | G166-A170 WeakPolarHBondContact O-CB 3.41Å; G166-A170 PolarHBondContact O-N 3.05Å; N167-A170 PolarHBondContact O-N 2.93Å; A170-I173 PolarHBondContact O-N 2.86Å; A170-D174 PolarHBondContact O-N 3.27Å; A170-V299 HydrophobicContact CB-CG1 3.77Å; A170-V299 WeakPolarHBondContact CB-O 3.34Å; A170-H364 VanDerWaalsContact CB-CD2 3.5Å; A170-H364 WeakPolarHBondContact CB-CD2 3.47Å |
| 171 | I | 98.4 | Very high | 97.5 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60 | -45.1 | 172.6 | -68.7 | 164.1 | 0 | 0 | 0 | 111.2 | N167 M168 R169 W175 | N167-I171 VanDerWaalsContact O-CG1 3.29Å; N167-I171 WeakPolarHBondContact O-CG1 3.18Å; N167-I171 PolarHBondContact O-N 2.95Å; M168-I171 PolarHBondContact O-N 2.91Å; R169-I171 VanDerWaalsContact C-N 3.35Å; R169-I171 PolarHBondContact O-N 3Å; I171-W175 WeakPolarHBondContact O-CB 3.45Å; I171-W175 PolarHBondContact O-N 3.18Å; I171-W175 VanDerWaalsContact O-N 3.15Å |
| 172 | L | 98.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | 177.5 | -178.9 | 71.8 | 0 | 0 | 0 | 111.3 | M168 R169 W175 L176 I197 L211 Q212 | M168-L172 PolarHBondContact O-N 3.19Å; M168-L172 VanDerWaalsContact O-N 3.09Å; R169-L172 WeakPolarHBondContact O-CB 3.46Å; R169-L172 PolarHBondContact O-N 3.02Å; R169-L172 VanDerWaalsContact O-N 3.08Å; L172-W175 HydrophobicContact CD1-CE3 4.22Å; L172-W175 HydrophobicContact CD1-CZ3 4.48Å; L172-W175 PolarHBondContact O-N 3.34Å; L172-L176 HydrophobicContact CD1-CD1 4.34Å; L172-L176 HydrophobicContact CD1-CG 4.49Å; L172-L176 HydrophobicContact CD2-CD1 4.34Å; L172-L176 HydrophobicContact CG-CD1 3.91Å; L172-L176 HydrophobicContact CG-CG 4.41Å; L172-L176 WeakPolarHBondContact O-CB 3.29Å; L172-L176 VanDerWaalsContact O-CG 3.32Å; L172-L176 WeakPolarHBondContact O-CG 3.38Å; L172-L176 PolarHBondContact O-N 3.37Å; L172-I197 HydrophobicContact CD2-CD1 4.08Å; L172-I197 HydrophobicContact CD2-CG2 4.44Å; L172-L211 HydrophobicContact CD2-CD1 3.95Å; L172-L211 HydrophobicContact CD2-CG 4.03Å; L172-Q212 HydrophobicContact CD1-CB 4.47Å |
| 173 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.6 | -42.9 | -177.2 | -59.3 | -41.9 | 0 | 0 | 0 | 111.5 | R169 A170 W175 L176 V177 M190 V194 I197 M298 V299 | R169-I173 HydrophobicContact CG-CG1 4.33Å; R169-I173 WeakPolarHBondContact O-CG1 3.27Å; R169-I173 PolarHBondContact O-N 2.87Å; A170-I173 PolarHBondContact O-N 2.86Å; I173-W175 VanDerWaalsContact C-N 3.32Å; I173-W175 PolarHBondContact O-N 3.47Å; I173-L176 HydrophobicContact CD1-CD1 4.18Å; I173-L176 PolarHBondContact O-N 3.37Å; I173-V177 WeakPolarHBondContact O-CG2 3.21Å; I173-V177 PolarHBondContact O-N 2.63Å; I173-M190 HydrophobicContact CG2-CE 3.95Å; I173-V194 HydrophobicContact CD1-CG2 4.09Å; I173-V194 HydrophobicContact CG2-CG2 4.09Å; I173-I197 HydrophobicContact CD1-CD1 3.75Å; I173-M298 HydrophobicContact CG2-CB 3.98Å; I173-V299 HydrophobicContact CG2-CG2 4.2Å |
| 174 | D | 98.5 | Very high | 98 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 8% | 0.075 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 175.8 | -174.7 | 96.4 | 0 | 0 | 0 | 111.6 | A170 V177 Q178 H364 M365 T366 | A170-D174 PolarHBondContact O-N 3.27Å; D174-V177 PolarHBondContact O-N 3.19Å; D174-Q178 PolarHBondContact O-N 3.35Å; D174-Q178 PolarHBondContact OD2-NE2 3.18Å; D174-Q178 VanDerWaalsContact OD2-NE2 3.09Å; D174-H364 HydrophobicContact CB-CB 4.12Å; D174-H364 VanDerWaalsContact OD1-CA 3.3Å; D174-H364 WeakPolarHBondContact OD1-CA 3.49Å; D174-M365 PolarHBondContact OD1-N 3.45Å; D174-T366 VanDerWaalsContact CG-OG1 3.25Å; D174-T366 VanDerWaalsContact OD1-CB 3.25Å; D174-T366 WeakPolarHBondContact OD1-CB 3.4Å; D174-T366 PolarHBondContact OD1-N 3.05Å; D174-T366 PolarHBondContact OD1-OG1 3.47Å; D174-T366 WeakPolarHBondContact OD2-CB 3.3Å; D174-T366 PolarHBondContact OD2-OG1 3.18Å |
| 175 | W | 98.4 | Very high | 98 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.1 | 176 | 75.4 | 0 | 0 | 0 | 112.5 | A36 I171 L172 I173 V177 Q178 V179 Q212 V216 V239 T240 | A36-W175 HydrophobicContact CB-CD2 4.36Å; A36-W175 HydrophobicContact CB-CG 4.08Å; I171-W175 WeakPolarHBondContact O-CB 3.45Å; I171-W175 PolarHBondContact O-N 3.18Å; I171-W175 VanDerWaalsContact O-N 3.15Å; L172-W175 HydrophobicContact CD1-CE3 4.22Å; L172-W175 HydrophobicContact CD1-CZ3 4.48Å; L172-W175 PolarHBondContact O-N 3.34Å; I173-W175 VanDerWaalsContact C-N 3.32Å; I173-W175 PolarHBondContact O-N 3.47Å; W175-V177 VanDerWaalsContact C-N 3.3Å; W175-V177 PolarHBondContact O-N 2.96Å; W175-Q178 WeakPolarHBondContact O-CA 3.29Å; W175-Q178 VanDerWaalsContact O-CB 3.24Å; W175-Q178 WeakPolarHBondContact O-CB 3.2Å; W175-Q178 PolarHBondContact O-N 2.74Å; W175-V179 HydrophobicContact CD2-CG2 4.17Å; W175-V179 HydrophobicContact CE3-CG2 4.31Å; W175-V179 HydrophobicContact CH2-CG2 3.96Å; W175-V179 HydrophobicContact CZ2-CG2 3.8Å; W175-V179 HydrophobicContact CZ3-CG2 4.22Å; W175-V179 PolarHBondContact O-N 3.17Å; W175-Q212 HydrophobicContact CE3-CG 4.41Å; W175-Q212 HydrophobicContact CH2-CG 3.91Å; W175-Q212 HydrophobicContact CZ3-CG 3.75Å; W175-V216 HydrophobicContact CH2-CG1 3.45Å; W175-V216 VanDerWaalsContact CH2-CG1 3.45Å; W175-V216 HydrophobicContact CZ3-CG1 3.64Å; W175-V239 HydrophobicContact CH2-CG1 4.4Å; W175-V239 WeakPolarHBondContact CZ2-O 3.37Å; W175-T240 HydrophobicContact CH2-CG2 4.14Å |
| 176 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -32.3 | 175.6 | -75.2 | 171.9 | 0 | 0 | 0 | 112.5 | L172 I173 Q178 V179 Q180 M190 T193 I197 M219 | L172-L176 HydrophobicContact CD1-CD1 4.34Å; L172-L176 HydrophobicContact CD1-CG 4.49Å; L172-L176 HydrophobicContact CD2-CD1 4.34Å; L172-L176 HydrophobicContact CG-CD1 3.91Å; L172-L176 HydrophobicContact CG-CG 4.41Å; L172-L176 WeakPolarHBondContact O-CB 3.29Å; L172-L176 VanDerWaalsContact O-CG 3.32Å; L172-L176 WeakPolarHBondContact O-CG 3.38Å; L172-L176 PolarHBondContact O-N 3.37Å; I173-L176 HydrophobicContact CD1-CD1 4.18Å; I173-L176 PolarHBondContact O-N 3.37Å; L176-Q178 VanDerWaalsContact C-N 3.26Å; L176-Q178 PolarHBondContact O-N 2.74Å; L176-V179 WeakPolarHBondContact O-CB 3.34Å; L176-V179 PolarHBondContact O-N 3.14Å; L176-V179 VanDerWaalsContact O-N 3.13Å; L176-Q180 PolarHBondContact O-N 3.45Å; L176-M190 HydrophobicContact CB-CE 3.85Å; L176-M190 HydrophobicContact CB-SD 4.38Å; L176-T193 HydrophobicContact CD1-CG2 3.99Å; L176-I197 HydrophobicContact CD1-CD1 3.55Å; L176-M219 HydrophobicContact CB-CE 4.02Å; L176-M219 HydrophobicContact CD2-CB 4.45Å; L176-M219 HydrophobicContact CD2-CE 4.08Å; L176-M219 HydrophobicContact CD2-SD 4.17Å; L176-M219 WeakPolarHBondContact O-CE 3.4Å |
| 177 | V | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -32.3 | 170.5 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | I173 D174 W175 Q180 I181 M190 M298 T366 V367 K370 | I173-V177 WeakPolarHBondContact O-CG2 3.21Å; I173-V177 PolarHBondContact O-N 2.63Å; D174-V177 PolarHBondContact O-N 3.19Å; W175-V177 VanDerWaalsContact C-N 3.3Å; W175-V177 PolarHBondContact O-N 2.96Å; V177-Q180 PolarHBondContact O-N 3.33Å; V177-I181 HydrophobicContact CG1-CD1 4.12Å; V177-I181 WeakPolarHBondContact O-CD1 3.25Å; V177-I181 VanDerWaalsContact O-CG1 3.24Å; V177-I181 WeakPolarHBondContact O-CG1 3.29Å; V177-I181 PolarHBondContact O-N 3.1Å; V177-M190 HydrophobicContact CG2-CE 3.64Å; V177-M190 HydrophobicContact CG2-CG 4.39Å; V177-M190 HydrophobicContact CG2-SD 4.07Å; V177-M298 HydrophobicContact CG2-CE 3.89Å; V177-T366 HydrophobicContact CB-CG2 3.87Å; V177-T366 HydrophobicContact CG1-CG2 3.69Å; V177-V367 HydrophobicContact CG1-CG2 4.39Å; V177-V367 HydrophobicContact CG2-CG2 4.15Å; V177-K370 HydrophobicContact CG1-CD 4.06Å |
| 178 | Q | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 41.5 Ų | 41.5 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.1 | -38.8 | 172.2 | -52.6 | 172.8 | 36.1 | 0 | 0 | 111.3 | D174 W175 L176 I181 K182 T366 | D174-Q178 PolarHBondContact O-N 3.35Å; D174-Q178 PolarHBondContact OD2-NE2 3.18Å; D174-Q178 VanDerWaalsContact OD2-NE2 3.09Å; W175-Q178 WeakPolarHBondContact O-CA 3.29Å; W175-Q178 VanDerWaalsContact O-CB 3.24Å; W175-Q178 WeakPolarHBondContact O-CB 3.2Å; W175-Q178 PolarHBondContact O-N 2.74Å; L176-Q178 VanDerWaalsContact C-N 3.26Å; L176-Q178 PolarHBondContact O-N 2.74Å; Q178-I181 PolarHBondContact O-N 2.79Å; Q178-K182 WeakPolarHBondContact O-CB 3.29Å; Q178-K182 PolarHBondContact O-N 3.07Å; Q178-T366 HydrophobicContact CB-CG2 4.5Å; Q178-T366 HydrophobicContact CG-CG2 3.53Å; Q178-T366 WeakPolarHBondContact CG-OG1 3.25Å; Q178-T366 PolarHBondContact NE2-OG1 3.32Å |
| 179 | V | 98.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 173.9 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | W175 L176 I181 K182 F183 M219 V239 | W175-V179 HydrophobicContact CD2-CG2 4.17Å; W175-V179 HydrophobicContact CE3-CG2 4.31Å; W175-V179 HydrophobicContact CH2-CG2 3.96Å; W175-V179 HydrophobicContact CZ2-CG2 3.8Å; W175-V179 HydrophobicContact CZ3-CG2 4.22Å; W175-V179 PolarHBondContact O-N 3.17Å; L176-V179 WeakPolarHBondContact O-CB 3.34Å; L176-V179 PolarHBondContact O-N 3.14Å; L176-V179 VanDerWaalsContact O-N 3.13Å; V179-I181 VanDerWaalsContact C-N 3.33Å; V179-I181 PolarHBondContact O-N 2.92Å; V179-K182 WeakPolarHBondContact O-CB 3.42Å; V179-K182 PolarHBondContact O-N 3.5Å; V179-K182 VanDerWaalsContact O-N 3.13Å; V179-F183 HydrophobicContact CG1-CD2 3.58Å; V179-F183 HydrophobicContact CG1-CE2 3.51Å; V179-F183 HydrophobicContact CG1-CZ 4.41Å; V179-F183 PolarHBondContact O-N 3.34Å; V179-M219 HydrophobicContact CB-SD 4.06Å; V179-M219 HydrophobicContact CG1-SD 3.63Å; V179-V239 HydrophobicContact CG1-CG1 4.17Å; V179-V239 HydrophobicContact CG1-CG2 4.16Å; V179-V239 HydrophobicContact CG2-CG1 4.43Å; V179-V239 HydrophobicContact CG2-CG2 3.85Å |
| 180 | Q | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.2 | -48.6 | 174.2 | -172.5 | -141.4 | 13 | 0 | 0 | 111.2 | L176 V177 K182 R184 L185 L186 M190 M219 | L176-Q180 PolarHBondContact O-N 3.45Å; V177-Q180 PolarHBondContact O-N 3.33Å; Q180-K182 PolarHBondContact O-N 2.8Å; Q180-R184 VanDerWaalsContact O-CA 3.32Å; Q180-R184 WeakPolarHBondContact O-CA 3.5Å; Q180-R184 PolarHBondContact O-N 3.38Å; Q180-L185 HydrophobicContact CG-CB 3.88Å; Q180-L185 PolarHBondContact NE2-O 2.7Å; Q180-L185 PolarHBondContact O-N 3.08Å; Q180-L185 VanDerWaalsContact O-N 3.13Å; Q180-L186 PolarHBondContact NE2-O 3.37Å; Q180-M190 HydrophobicContact CB-SD 4.1Å; Q180-M190 HydrophobicContact CG-CB 4.15Å; Q180-M219 HydrophobicContact CB-CE 4.29Å |
| 181 | I | 97.2 | Very high | 98.1 | Very high | 85 Ų | 85 | 40.7 Ų | 40.7 | 44% | 0.436 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.9 | -40 | 178.4 | -66.5 | 162.6 | 0 | 0 | 0 | 111.3 | V177 Q178 V179 R184 T366 K370 | V177-I181 HydrophobicContact CG1-CD1 4.12Å; V177-I181 WeakPolarHBondContact O-CD1 3.25Å; V177-I181 VanDerWaalsContact O-CG1 3.24Å; V177-I181 WeakPolarHBondContact O-CG1 3.29Å; V177-I181 PolarHBondContact O-N 3.1Å; Q178-I181 PolarHBondContact O-N 2.79Å; V179-I181 VanDerWaalsContact C-N 3.33Å; V179-I181 PolarHBondContact O-N 2.92Å; I181-R184 PolarHBondContact O-N 3.39Å; I181-T366 HydrophobicContact CD1-CG2 4.09Å; I181-K370 HydrophobicContact CD1-CB 4.14Å; I181-K370 HydrophobicContact CD1-CD 4.16Å; I181-K370 HydrophobicContact CD1-CG 4.24Å; I181-K370 HydrophobicContact CG1-CD 4.45Å |
| 182 | K | 97 | Very high | 98.1 | Very high | 121 Ų | 121 | 38.2 Ų | 38.2 | 53% | 0.526 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 180 | -178.8 | 178 | 176.3 | -177.9 | 0 | 112.2 | Q178 V179 Q180 V239 | Q178-K182 WeakPolarHBondContact O-CB 3.29Å; Q178-K182 PolarHBondContact O-N 3.07Å; V179-K182 WeakPolarHBondContact O-CB 3.42Å; V179-K182 PolarHBondContact O-N 3.5Å; V179-K182 VanDerWaalsContact O-N 3.13Å; Q180-K182 PolarHBondContact O-N 2.8Å; K182-V239 HydrophobicContact CD-CG2 4.17Å |
| 183 | F | 97.4 | Very high | 98.1 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 19% | 0.193 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -83.9 | -9.5 | 177.6 | -65.1 | -30.2 | 0 | 0 | 0 | 113.8 | V179 L185 P231 D235 F236 V239 | V179-F183 HydrophobicContact CG1-CD2 3.58Å; V179-F183 HydrophobicContact CG1-CE2 3.51Å; V179-F183 HydrophobicContact CG1-CZ 4.41Å; V179-F183 PolarHBondContact O-N 3.34Å; F183-L185 VanDerWaalsContact C-N 3.3Å; F183-L185 HydrophobicContact CB-CD1 4.38Å; F183-L185 HydrophobicContact CB-CD2 3.97Å; F183-L185 HydrophobicContact CB-CG 3.84Å; F183-L185 PolarHBondContact O-N 3.3Å; F183-P231 HydrophobicContact CB-CG 4.14Å; F183-P231 HydrophobicContact CD2-CB 4.5Å; F183-P231 HydrophobicContact CD2-CG 4.04Å; F183-P231 HydrophobicContact CG-CG 4.07Å; F183-D235 HydrophobicContact CE1-CB 4.03Å; F183-D235 HydrophobicContact CZ-CB 3.8Å; F183-F236 HydrophobicContact CD2-CE1 4.27Å; F183-F236 HydrophobicContact CD2-CZ 4.27Å; F183-F236 HydrophobicContact CE2-CD1 4.13Å; F183-F236 AromaticContact CE2-CE1 3.86Å; F183-F236 HydrophobicContact CE2-CE1 3.86Å; F183-F236 HydrophobicContact CE2-CZ 4.12Å; F183-V239 HydrophobicContact CE2-CB 4.47Å; F183-V239 HydrophobicContact CE2-CG1 4.25Å; F183-V239 HydrophobicContact CZ-CB 3.95Å; F183-V239 HydrophobicContact CZ-CG1 4.16Å; F183-V239 HydrophobicContact CZ-CG2 4.35Å |
| 184 | R | 97.4 | Very high | 98.1 | Very high | 221 Ų | 221 | 38.3 Ų | 38.3 | 83% | 0.834 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 27.8 | -178.9 | -49.4 | 176.9 | 178.1 | -177.9 | -0.1 | 114.6 | Q180 I181 | Q180-R184 VanDerWaalsContact O-CA 3.32Å; Q180-R184 WeakPolarHBondContact O-CA 3.5Å; Q180-R184 PolarHBondContact O-N 3.38Å; I181-R184 PolarHBondContact O-N 3.39Å |
| 185 | L | 98.2 | Very high | 98.1 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 7% | 0.068 | 17% | 0.17 | C | C | . | . | trans | -59.2 | 154.7 | -179.9 | -54.5 | 177.8 | 0 | 0 | 0 | 112 | Q180 F183 T189 M219 E227 P231 | Q180-L185 HydrophobicContact CG-CB 3.88Å; Q180-L185 PolarHBondContact NE2-O 2.7Å; Q180-L185 PolarHBondContact O-N 3.08Å; Q180-L185 VanDerWaalsContact O-N 3.13Å; F183-L185 VanDerWaalsContact C-N 3.3Å; F183-L185 HydrophobicContact CB-CD1 4.38Å; F183-L185 HydrophobicContact CB-CD2 3.97Å; F183-L185 HydrophobicContact CB-CG 3.84Å; F183-L185 PolarHBondContact O-N 3.3Å; L185-T189 HydrophobicContact CB-CG2 4.23Å; L185-T189 HydrophobicContact CD1-CG2 4.05Å; L185-M219 HydrophobicContact CD1-CE 4.36Å; L185-M219 HydrophobicContact CD1-CG 3.85Å; L185-M219 HydrophobicContact CD1-SD 3.69Å; L185-E227 VanDerWaalsContact CA-OE1 3.28Å; L185-E227 WeakPolarHBondContact CA-OE1 3.47Å; L185-E227 VanDerWaalsContact CB-OE1 3.3Å; L185-E227 WeakPolarHBondContact CB-OE1 3.3Å; L185-E227 HydrophobicContact CD2-CG 3.99Å; L185-P231 HydrophobicContact CD2-CG 3.91Å | ||
| 186 | L | 97.9 | Very high | 98.1 | Very high | 78 Ų | 78 | 36.3 Ų | 36.3 | 41% | 0.408 | 16% | 0.164 | S | C | . | . | trans | -57.6 | 163.8 | 171.9 | -62.7 | 173.8 | 0 | 0 | 0 | 111.5 | Q180 E188 E227 | Q180-L186 PolarHBondContact NE2-O 3.37Å; L186-E188 HydrophobicContact CB-CB 4.39Å; L186-E227 PolarHBondContact N-OE1 3.27Å | ||
| 187 | Q | 97.3 | Very high | 98.1 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -79.2 | -31.3 | 177.5 | -168.6 | 57.5 | 40.9 | 0 | 0 | 111.2 | M190 F191 L270 E295 | Q187-M190 WeakPolarHBondContact O-CB 3.26Å; Q187-M190 PolarHBondContact O-N 2.97Å; Q187-F191 HydrophobicContact CG-CD2 3.95Å; Q187-F191 HydrophobicContact CG-CE2 3.62Å; Q187-F191 VanDerWaalsContact O-CD2 3.26Å; Q187-F191 WeakPolarHBondContact O-CD2 3.41Å; Q187-F191 PolarHBondContact O-N 3.18Å; Q187-L270 HydrophobicContact CB-CD1 3.8Å; Q187-L270 HydrophobicContact CG-CD1 3.83Å; Q187-L270 HydrophobicContact CG-CD2 4.34Å; Q187-E295 PolarHBondContact NE2-OE1 2.88Å; Q187-E295 PolarHBondContact NE2-OE2 3.43Å; Q187-E295 PolarHBondContact OE1-OE1 3.48Å; Q187-E295 VanDerWaalsContact OE1-OE1 3.06Å |
| 188 | E | 97.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 36.6 Ų | 36.6 | 14% | 0.136 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -51.5 | -54.1 | 168.9 | -70.7 | 74.3 | -175.8 | 0 | 0 | 110.9 | L186 M190 F191 M192 E226 L268 L270 R274 | L186-E188 HydrophobicContact CB-CB 4.39Å; E188-M190 VanDerWaalsContact C-N 3.26Å; E188-M190 PolarHBondContact O-N 3.17Å; E188-F191 PolarHBondContact O-N 3.41Å; E188-F191 VanDerWaalsContact O-N 3.09Å; E188-M192 PolarHBondContact O-N 3.37Å; E188-E226 HydrophobicContact CB-CG 4.33Å; E188-L268 HydrophobicContact CB-CD1 3.74Å; E188-L268 HydrophobicContact CG-CD1 3.96Å; E188-L270 HydrophobicContact CG-CD1 4.01Å; E188-R274 IonicContact OE1-CZ 2.88Å; E188-R274 IonicContact OE1-NH1 2.6Å; E188-R274 PolarHBondContact OE1-NH1 3.41Å; E188-R274 IonicContact OE1-NH2 2.74Å; E188-R274 PolarHBondContact OE1-NH2 3.08Å |
| 189 | T | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52.4 | -39.9 | 174.8 | -48 | 0 | 0 | 0 | 0 | 112.9 | L185 T193 A222 E226 E227 | L185-T189 HydrophobicContact CB-CG2 4.23Å; L185-T189 HydrophobicContact CD1-CG2 4.05Å; T189-T193 WeakPolarHBondContact O-CB 3.46Å; T189-T193 PolarHBondContact O-N 3.45Å; T189-T193 PolarHBondContact O-OG1 3.11Å; T189-A222 HydrophobicContact CG2-CB 4.03Å; T189-A222 WeakPolarHBondContact O-CB 3.49Å; T189-E226 WeakPolarHBondContact OG1-CB 3.39Å; T189-E227 WeakPolarHBondContact CB-OE1 3.33Å; T189-E227 HydrophobicContact CG2-CG 4.4Å; T189-E227 PolarHBondContact OG1-OE1 2.78Å |
| 190 | M | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.4 | -44.9 | 177.4 | -173.4 | 67.3 | -149.1 | 0 | 0 | 112 | I173 L176 V177 Q180 Q187 E188 M192 T193 V194 M219 M298 | I173-M190 HydrophobicContact CG2-CE 3.95Å; L176-M190 HydrophobicContact CB-CE 3.85Å; L176-M190 HydrophobicContact CB-SD 4.38Å; V177-M190 HydrophobicContact CG2-CE 3.64Å; V177-M190 HydrophobicContact CG2-CG 4.39Å; V177-M190 HydrophobicContact CG2-SD 4.07Å; Q180-M190 HydrophobicContact CB-SD 4.1Å; Q180-M190 HydrophobicContact CG-CB 4.15Å; Q187-M190 WeakPolarHBondContact O-CB 3.26Å; Q187-M190 PolarHBondContact O-N 2.97Å; E188-M190 VanDerWaalsContact C-N 3.26Å; E188-M190 PolarHBondContact O-N 3.17Å; M190-M192 PolarHBondContact O-N 3.3Å; M190-T193 WeakPolarHBondContact O-CB 3.45Å; M190-T193 PolarHBondContact O-N 3.29Å; M190-V194 HydrophobicContact CE-CG2 3.89Å; M190-V194 WeakPolarHBondContact O-CG2 3.3Å; M190-V194 PolarHBondContact O-N 3.43Å; M190-V194 VanDerWaalsContact O-N 3.12Å; M190-M219 HydrophobicContact SD-CE 3.6Å; M190-M298 HydrophobicContact CE-CE 4.45Å; M190-M298 HydrophobicContact CE-SD 4.5Å; M190-M298 HydrophobicContact CG-CE 3.97Å; M190-M298 HydrophobicContact CG-SD 3.88Å |
| 191 | F | 98.3 | Very high | 98 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 7% | 0.066 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 176.5 | -77.5 | -68 | 0 | 0 | 0 | 112.3 | Q187 E188 V194 G195 L268 P269 L270 V294 E295 M298 | Q187-F191 HydrophobicContact CG-CD2 3.95Å; Q187-F191 HydrophobicContact CG-CE2 3.62Å; Q187-F191 VanDerWaalsContact O-CD2 3.26Å; Q187-F191 WeakPolarHBondContact O-CD2 3.41Å; Q187-F191 PolarHBondContact O-N 3.18Å; E188-F191 PolarHBondContact O-N 3.41Å; E188-F191 VanDerWaalsContact O-N 3.09Å; F191-V194 PolarHBondContact O-N 3.29Å; F191-G195 PolarHBondContact O-N 3.46Å; F191-L268 HydrophobicContact CB-CD2 4.09Å; F191-P269 HydrophobicContact CD1-CG 4.14Å; F191-P269 HydrophobicContact CE1-CG 4.33Å; F191-L270 HydrophobicContact CD2-CD1 3.82Å; F191-L270 HydrophobicContact CD2-CD2 4.41Å; F191-L270 HydrophobicContact CD2-CG 3.78Å; F191-L270 HydrophobicContact CE2-CD1 4.05Å; F191-L270 HydrophobicContact CE2-CD2 3.85Å; F191-L270 HydrophobicContact CE2-CG 3.73Å; F191-V294 HydrophobicContact CE1-CG1 3.79Å; F191-V294 HydrophobicContact CE2-CG1 4.43Å; F191-V294 HydrophobicContact CZ-CB 4.42Å; F191-V294 HydrophobicContact CZ-CG1 3.56Å; F191-E295 HydrophobicContact CE2-CG 4.16Å; F191-E295 HydrophobicContact CZ-CG 3.74Å; F191-M298 HydrophobicContact CD1-CG 3.83Å; F191-M298 HydrophobicContact CD1-SD 3.64Å; F191-M298 HydrophobicContact CE1-CG 3.4Å; F191-M298 VanDerWaalsContact CE1-CG 3.4Å; F191-M298 HydrophobicContact CE1-SD 3.47Å; F191-M298 WeakPolarHBondContact CE1-SD 3.29Å; F191-M298 HydrophobicContact CG-SD 4.28Å; F191-M298 HydrophobicContact CZ-CG 4.25Å; F191-M298 HydrophobicContact CZ-SD 3.98Å |
| 192 | M | 98.4 | Very high | 98 | Very high | 9 Ų | 9 | 30 Ų | 30 | 4% | 0.044 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 172.9 | -177.3 | 171.4 | -68.6 | 0 | 0 | 111.6 | E188 M190 V194 G195 I196 A222 Y225 E226 L268 | E188-M192 PolarHBondContact O-N 3.37Å; M190-M192 PolarHBondContact O-N 3.3Å; M192-V194 VanDerWaalsContact C-N 3.33Å; M192-V194 PolarHBondContact O-N 3.15Å; M192-G195 PolarHBondContact O-N 2.79Å; M192-I196 HydrophobicContact CG-CD1 3.8Å; M192-I196 HydrophobicContact CG-CG1 4.26Å; M192-I196 VanDerWaalsContact O-CG1 3.29Å; M192-I196 WeakPolarHBondContact O-CG1 3.24Å; M192-I196 PolarHBondContact O-N 3.03Å; M192-I196 HydrophobicContact SD-CD1 4.48Å; M192-A222 HydrophobicContact CB-CB 4Å; M192-A222 HydrophobicContact CG-CB 3.85Å; M192-A222 HydrophobicContact SD-CB 4.15Å; M192-Y225 HydrophobicContact CE-CD1 3.53Å; M192-Y225 HydrophobicContact CE-CE1 3.76Å; M192-Y225 HydrophobicContact CE-CG 4.18Å; M192-Y225 HydrophobicContact SD-CD1 3.83Å; M192-Y225 HydrophobicContact SD-CG 3.91Å; M192-E226 HydrophobicContact CE-CG 4.04Å; M192-E226 WeakPolarHBondContact CE-OE1 3.46Å; M192-E226 HydrophobicContact SD-CG 4.14Å; M192-L268 HydrophobicContact CB-CD2 4.29Å |
| 193 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.6 | -49.1 | 174.3 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | L176 T189 M190 I196 I197 A218 M219 | L176-T193 HydrophobicContact CD1-CG2 3.99Å; T189-T193 WeakPolarHBondContact O-CB 3.46Å; T189-T193 PolarHBondContact O-N 3.45Å; T189-T193 PolarHBondContact O-OG1 3.11Å; M190-T193 WeakPolarHBondContact O-CB 3.45Å; M190-T193 PolarHBondContact O-N 3.29Å; T193-I196 PolarHBondContact O-N 3.39Å; T193-I197 HydrophobicContact CG2-CD1 3.83Å; T193-I197 VanDerWaalsContact O-CG1 3.28Å; T193-I197 WeakPolarHBondContact O-CG1 3.28Å; T193-I197 PolarHBondContact O-N 3.34Å; T193-A218 HydrophobicContact CG2-CB 4.24Å; T193-M219 HydrophobicContact CG2-CB 3.8Å; T193-M219 HydrophobicContact CG2-CE 4.21Å; T193-M219 HydrophobicContact CG2-CG 4.45Å; T193-M219 WeakPolarHBondContact OG1-CA 3.26Å |
| 194 | V | 98.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 28 Ų | 28 | 7% | 0.067 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | R169 I173 M190 F191 M192 I196 I197 D198 M298 | R169-V194 VanDerWaalsContact NH2-CG1 3.29Å; I173-V194 HydrophobicContact CD1-CG2 4.09Å; I173-V194 HydrophobicContact CG2-CG2 4.09Å; M190-V194 HydrophobicContact CE-CG2 3.89Å; M190-V194 WeakPolarHBondContact O-CG2 3.3Å; M190-V194 PolarHBondContact O-N 3.43Å; M190-V194 VanDerWaalsContact O-N 3.12Å; F191-V194 PolarHBondContact O-N 3.29Å; M192-V194 VanDerWaalsContact C-N 3.33Å; M192-V194 PolarHBondContact O-N 3.15Å; V194-I196 VanDerWaalsContact C-N 3.3Å; V194-I196 PolarHBondContact O-N 3.2Å; V194-I197 PolarHBondContact O-N 3.29Å; V194-D198 WeakPolarHBondContact CG1-OD2 3.48Å; V194-D198 PolarHBondContact O-N 3.12Å; V194-M298 HydrophobicContact CG2-CB 4.23Å; V194-M298 HydrophobicContact CG2-CG 4.34Å; V194-M298 HydrophobicContact CG2-SD 4.04Å |
| 195 | G | 97.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 22 Ų | 22 | 6% | 0.062 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.8 | -33.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F191 M192 R199 | F191-G195 PolarHBondContact O-N 3.46Å; M192-G195 PolarHBondContact O-N 2.79Å; G195-R199 VanDerWaalsContact O-CB 3.32Å; G195-R199 WeakPolarHBondContact O-CB 3.49Å; G195-R199 WeakPolarHBondContact O-CG 3.47Å; G195-R199 PolarHBondContact O-N 3.13Å |
| 196 | I | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.5 | -46.4 | 172.9 | -70 | 170.4 | 0 | 0 | 0 | 110.7 | M192 T193 V194 F200 A218 I221 A222 I256 L260 F264 | M192-I196 HydrophobicContact CG-CD1 3.8Å; M192-I196 HydrophobicContact CG-CG1 4.26Å; M192-I196 VanDerWaalsContact O-CG1 3.29Å; M192-I196 WeakPolarHBondContact O-CG1 3.24Å; M192-I196 PolarHBondContact O-N 3.03Å; M192-I196 HydrophobicContact SD-CD1 4.48Å; T193-I196 PolarHBondContact O-N 3.39Å; V194-I196 VanDerWaalsContact C-N 3.3Å; V194-I196 PolarHBondContact O-N 3.2Å; I196-F200 WeakPolarHBondContact O-CB 3.44Å; I196-F200 PolarHBondContact O-N 3.05Å; I196-A218 HydrophobicContact CB-CB 4.05Å; I196-A218 HydrophobicContact CG2-CB 3.53Å; I196-I221 HydrophobicContact CD1-CB 4.31Å; I196-I221 HydrophobicContact CD1-CG2 3.88Å; I196-A222 HydrophobicContact CD1-CB 4.21Å; I196-I256 HydrophobicContact CG2-CG2 3.66Å; I196-L260 HydrophobicContact CB-CD1 4.37Å; I196-L260 HydrophobicContact CG1-CD1 4.4Å; I196-L260 HydrophobicContact CG2-CD1 3.88Å; I196-F264 HydrophobicContact CD1-CD1 3.6Å; I196-F264 HydrophobicContact CD1-CE1 3.77Å; I196-F264 HydrophobicContact CG1-CD1 3.71Å; I196-F264 HydrophobicContact CG1-CE1 3.85Å; I196-F264 HydrophobicContact CG2-CE1 4.46Å |
| 197 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 178.5 | -69.9 | 164.3 | 0 | 0 | 0 | 110.4 | L172 I173 L176 T193 V194 F200 L201 A218 | L172-I197 HydrophobicContact CD2-CD1 4.08Å; L172-I197 HydrophobicContact CD2-CG2 4.44Å; I173-I197 HydrophobicContact CD1-CD1 3.75Å; L176-I197 HydrophobicContact CD1-CD1 3.55Å; T193-I197 HydrophobicContact CG2-CD1 3.83Å; T193-I197 VanDerWaalsContact O-CG1 3.28Å; T193-I197 WeakPolarHBondContact O-CG1 3.28Å; T193-I197 PolarHBondContact O-N 3.34Å; V194-I197 PolarHBondContact O-N 3.29Å; I197-F200 PolarHBondContact O-N 3.43Å; I197-L201 HydrophobicContact CG2-CD1 3.63Å; I197-L201 HydrophobicContact CG2-CG 4.32Å; I197-L201 WeakPolarHBondContact O-CB 3.27Å; I197-L201 VanDerWaalsContact O-CG 3.27Å; I197-L201 WeakPolarHBondContact O-CG 3.48Å; I197-L201 PolarHBondContact O-N 2.96Å; I197-A218 HydrophobicContact CD1-CB 4.26Å; I197-A218 HydrophobicContact CG1-CB 3.6Å |
| 198 | D | 98.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.6 | -46.2 | -174.5 | -65.3 | -18.1 | 0 | 0 | 0 | 111.8 | V154 Y158 R169 V194 F200 L201 Q202 | V154-D198 HydrophobicContact CG1-CB 4.06Å; V154-D198 HydrophobicContact CG2-CB 3.92Å; Y158-D198 HydrophobicContact CE1-CB 4.29Å; Y158-D198 PolarHBondContact OH-OD1 3.18Å; R169-D198 IonicContact CZ-OD1 2.72Å; R169-D198 IonicContact CZ-OD2 2.71Å; R169-D198 IonicContact NE-OD1 3.31Å; R169-D198 PolarHBondContact NE-OD1 3.05Å; R169-D198 IonicContact NE-OD2 2.66Å; R169-D198 IonicContact NH2-OD1 3.65Å; R169-D198 PolarHBondContact NH2-OD1 3.27Å; R169-D198 VanDerWaalsContact NH2-OD1 3.17Å; R169-D198 IonicContact NH2-OD2 2.78Å; R169-D198 PolarHBondContact NH2-OD2 3.4Å; V194-D198 WeakPolarHBondContact CG1-OD2 3.48Å; V194-D198 PolarHBondContact O-N 3.12Å; D198-F200 VanDerWaalsContact C-N 3.27Å; D198-F200 PolarHBondContact O-N 2.87Å; D198-L201 PolarHBondContact O-N 2.9Å; D198-Q202 WeakPolarHBondContact O-CG 3.3Å; D198-Q202 PolarHBondContact O-N 3.42Å; D198-Q202 VanDerWaalsContact O-N 3.11Å |
| 199 | R | 98 | Very high | 97.2 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.1 | -26 | 175.7 | -73.7 | 174.7 | 57.7 | -134.6 | 1.6 | 113.4 | Q152 V154 G195 Q202 L260 S263 | Q152-R199 VanDerWaalsContact OE1-CZ 3.29Å; V154-R199 HydrophobicContact CG2-CG 3.8Å; G195-R199 VanDerWaalsContact O-CB 3.32Å; G195-R199 WeakPolarHBondContact O-CB 3.49Å; G195-R199 WeakPolarHBondContact O-CG 3.47Å; G195-R199 PolarHBondContact O-N 3.13Å; R199-Q202 WeakPolarHBondContact O-CG 3.45Å; R199-L260 HydrophobicContact CB-CD2 3.63Å; R199-S263 PolarHBondContact NH1-O 3.2Å; R199-S263 PolarHBondContact NH2-O 3.05Å |
| 200 | F | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -77.7 | -48.5 | 174.4 | 178 | -101.5 | 0 | 0 | 0 | 111.5 | I196 I197 D198 Q202 D203 N204 V206 V214 M252 K255 I256 V259 | I196-F200 WeakPolarHBondContact O-CB 3.44Å; I196-F200 PolarHBondContact O-N 3.05Å; I197-F200 PolarHBondContact O-N 3.43Å; D198-F200 VanDerWaalsContact C-N 3.27Å; D198-F200 PolarHBondContact O-N 2.87Å; F200-Q202 VanDerWaalsContact C-N 3.34Å; F200-Q202 PolarHBondContact O-N 2.92Å; F200-D203 PolarHBondContact O-N 3.11Å; F200-N204 HydrophobicContact CD1-CB 4.45Å; F200-N204 HydrophobicContact CD2-CB 4.3Å; F200-N204 HydrophobicContact CE1-CB 4.19Å; F200-N204 HydrophobicContact CE2-CB 4.03Å; F200-N204 HydrophobicContact CZ-CB 3.97Å; F200-N204 WeakPolarHBondContact CZ-OD1 3.39Å; F200-N204 WeakPolarHBondContact O-CB 3.41Å; F200-N204 PolarHBondContact O-N 3.09Å; F200-V206 HydrophobicContact CE1-CG1 3.85Å; F200-V214 HydrophobicContact CD1-CG1 3.72Å; F200-V214 HydrophobicContact CD1-CG2 4.34Å; F200-V214 HydrophobicContact CE1-CG1 4.03Å; F200-V214 HydrophobicContact CE1-CG2 3.81Å; F200-M252 HydrophobicContact CE1-SD 4.45Å; F200-M252 HydrophobicContact CZ-SD 4.19Å; F200-K255 HydrophobicContact CE2-CD 4.43Å; F200-K255 HydrophobicContact CE2-CG 4.21Å; F200-K255 HydrophobicContact CZ-CD 3.96Å; F200-K255 HydrophobicContact CZ-CG 4.23Å; F200-I256 HydrophobicContact CD1-CG1 4.4Å; F200-I256 HydrophobicContact CD2-CB 4.19Å; F200-I256 HydrophobicContact CD2-CG1 3.71Å; F200-I256 HydrophobicContact CD2-CG2 4.42Å; F200-I256 HydrophobicContact CE1-CG1 4.38Å; F200-I256 HydrophobicContact CE2-CB 4.34Å; F200-I256 HydrophobicContact CE2-CG1 3.69Å; F200-I256 HydrophobicContact CG-CG1 4.07Å; F200-I256 HydrophobicContact CZ-CG1 4.04Å; F200-V259 HydrophobicContact CD2-CB 3.89Å; F200-V259 HydrophobicContact CD2-CG1 3.81Å; F200-V259 HydrophobicContact CD2-CG2 4.25Å; F200-V259 HydrophobicContact CE2-CB 4Å; F200-V259 HydrophobicContact CE2-CG1 4.25Å; F200-V259 HydrophobicContact CE2-CG2 3.87Å |
| 201 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72 | -22.9 | -174.7 | -68.3 | 177.5 | 0 | 0 | 0 | 114 | Y158 Q162 I197 D198 D203 V206 L211 V214 | Y158-L201 HydrophobicContact CD2-CB 4.31Å; Y158-L201 HydrophobicContact CE2-CB 3.54Å; Q162-L201 PolarHBondContact NE2-O 3.25Å; I197-L201 HydrophobicContact CG2-CD1 3.63Å; I197-L201 HydrophobicContact CG2-CG 4.32Å; I197-L201 WeakPolarHBondContact O-CB 3.27Å; I197-L201 VanDerWaalsContact O-CG 3.27Å; I197-L201 WeakPolarHBondContact O-CG 3.48Å; I197-L201 PolarHBondContact O-N 2.96Å; D198-L201 PolarHBondContact O-N 2.9Å; L201-D203 VanDerWaalsContact C-N 3.29Å; L201-D203 PolarHBondContact O-N 3.13Å; L201-V206 HydrophobicContact CD2-CB 4.44Å; L201-V206 HydrophobicContact CD2-CG1 4.18Å; L201-V206 HydrophobicContact CD2-CG2 3.47Å; L201-V206 VanDerWaalsContact CD2-CG2 3.47Å; L201-L211 HydrophobicContact CD1-CD1 4.1Å; L201-V214 HydrophobicContact CD2-CG1 4.47Å |
| 202 | Q | 96.9 | Very high | 97.1 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -24.2 | 176.3 | 69.2 | 170 | 9.4 | 0 | 0 | 114.3 | V154 K155 Y158 D198 R199 F200 | V154-Q202 VanDerWaalsContact CA-OE1 3.31Å; K155-Q202 HydrophobicContact CD-CB 4.45Å; Y158-Q202 HydrophobicContact CD1-CB 4.35Å; Y158-Q202 VanDerWaalsContact CD2-CA 3.47Å; Y158-Q202 HydrophobicContact CD2-CB 3.78Å; Y158-Q202 HydrophobicContact CG-CB 3.64Å; D198-Q202 WeakPolarHBondContact O-CG 3.3Å; D198-Q202 PolarHBondContact O-N 3.42Å; D198-Q202 VanDerWaalsContact O-N 3.11Å; R199-Q202 WeakPolarHBondContact O-CG 3.45Å; F200-Q202 VanDerWaalsContact C-N 3.34Å; F200-Q202 PolarHBondContact O-N 2.92Å |
| 203 | D | 94.6 | Very high | 97.1 | Very high | 89 Ų | 89 | 33.9 Ų | 33.9 | 48% | 0.476 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 4.3 | -178.2 | -64.2 | -49.9 | 0 | 0 | 0 | 111.7 | K155 F200 L201 | K155-D203 IonicContact NZ-OD1 3.37Å; K155-D203 PolarHBondContact NZ-OD1 2.8Å; K155-D203 IonicContact NZ-OD2 3.7Å; F200-D203 PolarHBondContact O-N 3.11Å; L201-D203 VanDerWaalsContact C-N 3.29Å; L201-D203 PolarHBondContact O-N 3.13Å |
| 204 | N | 95.6 | Very high | 97.1 | Very high | 33 Ų | 33 | 33.9 Ų | 33.9 | 18% | 0.176 | 18% | 0.175 | C | C | . | . | trans | -144.9 | 93.3 | 179.8 | -148.5 | -102.1 | 0 | 0 | 0 | 112.6 | F200 V206 K255 | F200-N204 HydrophobicContact CD1-CB 4.45Å; F200-N204 HydrophobicContact CD2-CB 4.3Å; F200-N204 HydrophobicContact CE1-CB 4.19Å; F200-N204 HydrophobicContact CE2-CB 4.03Å; F200-N204 HydrophobicContact CZ-CB 3.97Å; F200-N204 WeakPolarHBondContact CZ-OD1 3.39Å; F200-N204 WeakPolarHBondContact O-CB 3.41Å; F200-N204 PolarHBondContact O-N 3.09Å; N204-V206 PolarHBondContact O-N 3.19Å; N204-K255 WeakPolarHBondContact OD1-CE 3.36Å; N204-K255 PolarHBondContact OD1-NZ 3.19Å | ||
| 205 | P | 94.2 | Very high | 97.1 | Very high | 95 Ų | 95 | 33.3 Ų | 33.3 | 62% | 0.617 | 17% | 0.171 | S | C | * | . | trans | -58.6 | 135.2 | 171.7 | -24 | 34.6 | 0 | 0 | 0 | 111.6 | ||||
| 206 | V | 95 | Very high | 97.1 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | trans | -128.9 | 146.5 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | I164 F200 L201 N204 V214 | I164-V206 HydrophobicContact CD1-CG2 4.23Å; I164-V206 WeakPolarHBondContact CD1-O 3.45Å; I164-V206 HydrophobicContact CG1-CG2 3.95Å; I164-V206 WeakPolarHBondContact CG1-O 3.35Å; F200-V206 HydrophobicContact CE1-CG1 3.85Å; L201-V206 HydrophobicContact CD2-CB 4.44Å; L201-V206 HydrophobicContact CD2-CG1 4.18Å; L201-V206 HydrophobicContact CD2-CG2 3.47Å; L201-V206 VanDerWaalsContact CD2-CG2 3.47Å; N204-V206 PolarHBondContact O-N 3.19Å; V206-V214 HydrophobicContact CG1-CG2 4.09Å; V206-V214 HydrophobicContact CG2-CG2 4.38Å | ||
| 207 | P | 95.7 | Very high | 97.1 | Very high | 62 Ų | 62 | 32.9 Ų | 32.9 | 40% | 0.403 | 17% | 0.168 | S | C | . | . | trans | -64.4 | 149.7 | 171.3 | -20.6 | 32.6 | 0 | 0 | 0 | 112 | E163 K209 Q210 | E163-P207 WeakPolarHBondContact OE2-CA 3.37Å; P207-K209 PolarHBondContact O-N 2.55Å; P207-K209 VanDerWaalsContact O-N 3.08Å; P207-Q210 PolarHBondContact O-N 2.87Å | ||
| 208 | K | 95.3 | Very high | 97.1 | Very high | 91 Ų | 91 | 32.9 Ų | 32.9 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -49.3 | -38.7 | 175.9 | 173.9 | 167.4 | -178.1 | 178 | 0 | 113.6 | E163 I164 M168 Q210 L211 | E163-K208 WeakPolarHBondContact OE1-CB 3.47Å; E163-K208 PolarHBondContact OE2-N 3.36Å; I164-K208 HydrophobicContact CD1-CB 4.34Å; M168-K208 HydrophobicContact CE-CB 3.9Å; M168-K208 HydrophobicContact CE-CD 3.71Å; M168-K208 HydrophobicContact CE-CG 3.59Å; M168-K208 HydrophobicContact SD-CD 4.32Å; K208-Q210 PolarHBondContact O-N 2.93Å; K208-L211 WeakPolarHBondContact O-CB 3.46Å; K208-L211 PolarHBondContact O-N 3.39Å |
| 209 | K | 94.7 | Very high | 97.2 | Very high | 141 Ų | 141 | 32.6 Ų | 32.6 | 61% | 0.613 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -67.1 | -11.9 | 178.5 | -62.5 | -175.3 | -179.9 | -178.3 | 0 | 114.3 | P207 Y244 | P207-K209 PolarHBondContact O-N 2.55Å; P207-K209 VanDerWaalsContact O-N 3.08Å; K209-Y244 PolarHBondContact O-OH 3.5Å |
| 210 | Q | 96.6 | Very high | 97.2 | Very high | 75 Ų | 75 | 32.3 Ų | 32.3 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -107.1 | -6.7 | 177.8 | -62.3 | -174.5 | 2.7 | 0 | 0 | 113.3 | P207 K208 Q212 L213 V214 M252 | P207-Q210 PolarHBondContact O-N 2.87Å; K208-Q210 PolarHBondContact O-N 2.93Å; Q210-Q212 VanDerWaalsContact C-N 3.34Å; Q210-Q212 PolarHBondContact O-N 3.28Å; Q210-L213 WeakPolarHBondContact O-CB 3.43Å; Q210-L213 PolarHBondContact O-N 3.49Å; Q210-L213 VanDerWaalsContact O-N 3.13Å; Q210-V214 PolarHBondContact O-N 3.09Å; Q210-M252 HydrophobicContact CB-CE 4.49Å |
| 211 | L | 98 | Very high | 97.2 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | -176.2 | -177.8 | 63.9 | 0 | 0 | 0 | 112.9 | I164 M168 L172 L201 K208 V214 G215 | I164-L211 HydrophobicContact CD1-CB 4.15Å; I164-L211 HydrophobicContact CD1-CD1 4.37Å; I164-L211 HydrophobicContact CD1-CD2 4.31Å; I164-L211 HydrophobicContact CG1-CD1 4.46Å; I164-L211 HydrophobicContact CG2-CD1 3.91Å; I164-L211 HydrophobicContact CG2-CD2 4Å; M168-L211 HydrophobicContact CB-CD2 3.9Å; M168-L211 HydrophobicContact CE-CD2 4.32Å; L172-L211 HydrophobicContact CD2-CD1 3.95Å; L172-L211 HydrophobicContact CD2-CG 4.03Å; L201-L211 HydrophobicContact CD1-CD1 4.1Å; K208-L211 WeakPolarHBondContact O-CB 3.46Å; K208-L211 PolarHBondContact O-N 3.39Å; L211-V214 PolarHBondContact O-N 3.25Å; L211-G215 PolarHBondContact O-N 2.94Å |
| 212 | Q | 98.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 32.8 Ų | 32.8 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.1 | -37.3 | 176.9 | -170.7 | -176 | 20 | 0 | 0 | 112 | L172 W175 Q210 G215 V216 T240 Y244 | L172-Q212 HydrophobicContact CD1-CB 4.47Å; W175-Q212 HydrophobicContact CE3-CG 4.41Å; W175-Q212 HydrophobicContact CH2-CG 3.91Å; W175-Q212 HydrophobicContact CZ3-CG 3.75Å; Q210-Q212 VanDerWaalsContact C-N 3.34Å; Q210-Q212 PolarHBondContact O-N 3.28Å; Q212-G215 PolarHBondContact O-N 3.29Å; Q212-V216 PolarHBondContact O-N 2.67Å; Q212-T240 HydrophobicContact CG-CG2 4.3Å; Q212-Y244 HydrophobicContact CB-CE2 3.95Å; Q212-Y244 HydrophobicContact CG-CE2 4.19Å |
| 213 | L | 98.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 173.4 | 178.5 | 59.1 | 0 | 0 | 0 | 111.6 | Q210 G215 T217 Y244 Q248 I249 M252 | Q210-L213 WeakPolarHBondContact O-CB 3.43Å; Q210-L213 PolarHBondContact O-N 3.49Å; Q210-L213 VanDerWaalsContact O-N 3.13Å; L213-G215 VanDerWaalsContact C-N 3.32Å; L213-G215 PolarHBondContact O-N 3.42Å; L213-T217 VanDerWaalsContact O-CB 3.24Å; L213-T217 WeakPolarHBondContact O-CB 3.5Å; L213-T217 PolarHBondContact O-N 3.17Å; L213-T217 PolarHBondContact O-OG1 2.91Å; L213-Y244 HydrophobicContact CB-CD1 3.91Å; L213-Y244 HydrophobicContact CB-CD2 4.11Å; L213-Y244 HydrophobicContact CB-CE1 3.72Å; L213-Y244 HydrophobicContact CB-CE2 3.93Å; L213-Y244 HydrophobicContact CB-CG 4.09Å; L213-Y244 HydrophobicContact CD1-CD1 4.21Å; L213-Y244 HydrophobicContact CD1-CD2 4.34Å; L213-Y244 HydrophobicContact CD1-CG 3.91Å; L213-Y244 HydrophobicContact CD2-CD1 4.04Å; L213-Y244 HydrophobicContact CD2-CE1 4.32Å; L213-Y244 HydrophobicContact CG-CD1 4.28Å; L213-Y244 HydrophobicContact CG-CG 4.41Å; L213-Q248 HydrophobicContact CD1-CB 4.44Å; L213-Q248 HydrophobicContact CD2-CB 4.18Å; L213-I249 HydrophobicContact CD1-CB 4.5Å; L213-I249 HydrophobicContact CD1-CG1 3.77Å; L213-M252 HydrophobicContact CB-CE 4.49Å; L213-M252 HydrophobicContact CD1-CB 4.33Å; L213-M252 HydrophobicContact CD2-CB 4.24Å; L213-M252 HydrophobicContact CD2-CE 3.78Å; L213-M252 HydrophobicContact CG-CB 4.01Å; L213-M252 HydrophobicContact CG-CE 3.93Å; L213-M252 HydrophobicContact CG-CG 4.11Å |
| 214 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.9 | -47.6 | 172.7 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | F200 L201 V206 Q210 L211 T217 A218 M252 | F200-V214 HydrophobicContact CD1-CG1 3.72Å; F200-V214 HydrophobicContact CD1-CG2 4.34Å; F200-V214 HydrophobicContact CE1-CG1 4.03Å; F200-V214 HydrophobicContact CE1-CG2 3.81Å; L201-V214 HydrophobicContact CD2-CG1 4.47Å; V206-V214 HydrophobicContact CG1-CG2 4.09Å; V206-V214 HydrophobicContact CG2-CG2 4.38Å; Q210-V214 PolarHBondContact O-N 3.09Å; L211-V214 PolarHBondContact O-N 3.25Å; V214-T217 PolarHBondContact O-N 3.45Å; V214-A218 VanDerWaalsContact O-CB 3.3Å; V214-A218 WeakPolarHBondContact O-CB 3.44Å; V214-A218 PolarHBondContact O-N 2.97Å; V214-M252 HydrophobicContact CG2-CE 3.8Å; V214-M252 HydrophobicContact CG2-SD 3.83Å |
| 215 | G | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -50.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L211 Q212 L213 T217 A218 M219 | L211-G215 PolarHBondContact O-N 2.94Å; Q212-G215 PolarHBondContact O-N 3.29Å; L213-G215 VanDerWaalsContact C-N 3.32Å; L213-G215 PolarHBondContact O-N 3.42Å; G215-T217 VanDerWaalsContact C-N 3.32Å; G215-T217 PolarHBondContact O-N 3.47Å; G215-A218 PolarHBondContact O-N 3.34Å; G215-M219 PolarHBondContact O-N 3.48Å |
| 216 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69 | -32.1 | 178.1 | -63 | 0 | 0 | 0 | 0 | 112.6 | W175 Q212 M219 F220 F236 V239 T240 | W175-V216 HydrophobicContact CH2-CG1 3.45Å; W175-V216 VanDerWaalsContact CH2-CG1 3.45Å; W175-V216 HydrophobicContact CZ3-CG1 3.64Å; Q212-V216 PolarHBondContact O-N 2.67Å; V216-M219 PolarHBondContact O-N 2.86Å; V216-F220 WeakPolarHBondContact O-CB 3.17Å; V216-F220 PolarHBondContact O-N 3.38Å; V216-F236 HydrophobicContact CB-CD1 4.17Å; V216-V239 HydrophobicContact CG1-CG1 4.34Å; V216-T240 HydrophobicContact CB-CG2 4.35Å; V216-T240 HydrophobicContact CG1-CG2 3.56Å; V216-T240 HydrophobicContact CG2-CG2 3.99Å |
| 217 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72 | -39.6 | 178.1 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | L213 V214 G215 M219 F220 I221 I249 M252 E253 I256 | L213-T217 VanDerWaalsContact O-CB 3.24Å; L213-T217 WeakPolarHBondContact O-CB 3.5Å; L213-T217 PolarHBondContact O-N 3.17Å; L213-T217 PolarHBondContact O-OG1 2.91Å; V214-T217 PolarHBondContact O-N 3.45Å; G215-T217 VanDerWaalsContact C-N 3.32Å; G215-T217 PolarHBondContact O-N 3.47Å; T217-M219 VanDerWaalsContact C-N 3.3Å; T217-M219 PolarHBondContact O-N 3.15Å; T217-F220 PolarHBondContact O-N 3.33Å; T217-I221 HydrophobicContact CG2-CD1 4.28Å; T217-I221 WeakPolarHBondContact O-CG1 3.44Å; T217-I221 PolarHBondContact O-N 2.93Å; T217-I249 HydrophobicContact CG2-CG2 4.29Å; T217-I249 WeakPolarHBondContact CG2-O 3.5Å; T217-M252 HydrophobicContact CG2-CB 4.02Å; T217-M252 HydrophobicContact CG2-CG 3.99Å; T217-E253 VanDerWaalsContact CG2-CA 3.48Å; T217-E253 HydrophobicContact CG2-CB 3.66Å; T217-E253 VanDerWaalsContact CG2-N 3.34Å; T217-I256 HydrophobicContact CG2-CD1 3.95Å |
| 218 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T193 I196 I197 V214 G215 I221 A222 | T193-A218 HydrophobicContact CG2-CB 4.24Å; I196-A218 HydrophobicContact CB-CB 4.05Å; I196-A218 HydrophobicContact CG2-CB 3.53Å; I197-A218 HydrophobicContact CD1-CB 4.26Å; I197-A218 HydrophobicContact CG1-CB 3.6Å; V214-A218 VanDerWaalsContact O-CB 3.3Å; V214-A218 WeakPolarHBondContact O-CB 3.44Å; V214-A218 PolarHBondContact O-N 2.97Å; G215-A218 PolarHBondContact O-N 3.34Å; A218-I221 PolarHBondContact O-N 3.27Å; A218-A222 WeakPolarHBondContact O-CB 3.44Å; A218-A222 PolarHBondContact O-N 2.67Å |
| 219 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.8 | -35.6 | 175.4 | -170.7 | 170.8 | -89.3 | 0 | 0 | 112.8 | L176 V179 Q180 L185 M190 T193 G215 V216 T217 A222 S223 F236 | L176-M219 HydrophobicContact CB-CE 4.02Å; L176-M219 HydrophobicContact CD2-CB 4.45Å; L176-M219 HydrophobicContact CD2-CE 4.08Å; L176-M219 HydrophobicContact CD2-SD 4.17Å; L176-M219 WeakPolarHBondContact O-CE 3.4Å; V179-M219 HydrophobicContact CB-SD 4.06Å; V179-M219 HydrophobicContact CG1-SD 3.63Å; Q180-M219 HydrophobicContact CB-CE 4.29Å; L185-M219 HydrophobicContact CD1-CE 4.36Å; L185-M219 HydrophobicContact CD1-CG 3.85Å; L185-M219 HydrophobicContact CD1-SD 3.69Å; M190-M219 HydrophobicContact SD-CE 3.6Å; T193-M219 HydrophobicContact CG2-CB 3.8Å; T193-M219 HydrophobicContact CG2-CE 4.21Å; T193-M219 HydrophobicContact CG2-CG 4.45Å; T193-M219 WeakPolarHBondContact OG1-CA 3.26Å; G215-M219 PolarHBondContact O-N 3.48Å; V216-M219 PolarHBondContact O-N 2.86Å; T217-M219 VanDerWaalsContact C-N 3.3Å; T217-M219 PolarHBondContact O-N 3.15Å; M219-A222 PolarHBondContact O-N 3.06Å; M219-S223 VanDerWaalsContact O-CB 3.29Å; M219-S223 WeakPolarHBondContact O-CB 3.39Å; M219-S223 PolarHBondContact O-N 3.02Å; M219-S223 PolarHBondContact O-OG 3.13Å; M219-F236 HydrophobicContact CB-CE1 3.87Å; M219-F236 HydrophobicContact CG-CE1 3.69Å; M219-F236 HydrophobicContact CG-CZ 4.1Å; M219-F236 HydrophobicContact SD-CE1 4.08Å |
| 220 | F | 98.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 173.4 | 176.9 | -122 | 0 | 0 | 0 | 112 | V216 T217 S223 K224 I233 F236 I249 E253 | V216-F220 WeakPolarHBondContact O-CB 3.17Å; V216-F220 PolarHBondContact O-N 3.38Å; T217-F220 PolarHBondContact O-N 3.33Å; F220-S223 PolarHBondContact O-N 3.37Å; F220-K224 HydrophobicContact CD2-CD 4.49Å; F220-K224 HydrophobicContact CE1-CD 4.18Å; F220-K224 VanDerWaalsContact CE1-NZ 3.33Å; F220-K224 HydrophobicContact CE2-CD 3.91Å; F220-K224 HydrophobicContact CE2-CG 4.23Å; F220-K224 HydrophobicContact CZ-CD 3.74Å; F220-K224 WeakPolarHBondContact O-CG 3.45Å; F220-K224 PolarHBondContact O-N 3.12Å; F220-K224 VanDerWaalsContact O-N 3.09Å; F220-I233 HydrophobicContact CE1-CB 4.36Å; F220-I233 HydrophobicContact CE1-CD1 4.05Å; F220-I233 HydrophobicContact CE1-CG1 4.22Å; F220-I233 HydrophobicContact CE2-CB 4.06Å; F220-I233 HydrophobicContact CZ-CB 3.83Å; F220-I233 HydrophobicContact CZ-CD1 4.29Å; F220-I233 HydrophobicContact CZ-CG1 4.2Å; F220-F236 HydrophobicContact CB-CD1 4.39Å; F220-F236 HydrophobicContact CB-CD2 3.88Å; F220-F236 HydrophobicContact CB-CE1 4.49Å; F220-F236 HydrophobicContact CB-CE2 3.99Å; F220-F236 HydrophobicContact CB-CG 4.08Å; F220-F236 HydrophobicContact CB-CZ 4.3Å; F220-F236 AromaticContact CD2-CD2 3.58Å; F220-F236 HydrophobicContact CD2-CD2 3.58Å; F220-F236 AromaticContact CD2-CE2 3.7Å; F220-F236 HydrophobicContact CD2-CE2 3.7Å; F220-F236 HydrophobicContact CD2-CG 4.49Å; F220-F236 HydrophobicContact CG-CD2 4.09Å; F220-F236 HydrophobicContact CG-CE2 4.33Å; F220-I249 HydrophobicContact CD1-CG2 4.25Å; F220-E253 WeakPolarHBondContact CD1-OE1 3.47Å; F220-E253 WeakPolarHBondContact CE1-OE1 3.44Å |
| 221 | I | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 5% | 0.046 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -50.7 | 173.7 | -67.5 | 164.1 | 0 | 0 | 0 | 110.5 | I196 T217 A218 S223 K224 Y225 E253 I256 F264 | I196-I221 HydrophobicContact CD1-CB 4.31Å; I196-I221 HydrophobicContact CD1-CG2 3.88Å; T217-I221 HydrophobicContact CG2-CD1 4.28Å; T217-I221 WeakPolarHBondContact O-CG1 3.44Å; T217-I221 PolarHBondContact O-N 2.93Å; A218-I221 PolarHBondContact O-N 3.27Å; I221-S223 VanDerWaalsContact C-N 3.31Å; I221-S223 PolarHBondContact O-N 2.85Å; I221-K224 PolarHBondContact O-N 3.5Å; I221-Y225 PolarHBondContact O-N 2.83Å; I221-E253 HydrophobicContact CD1-CB 4.46Å; I221-E253 HydrophobicContact CD1-CG 4.27Å; I221-E253 HydrophobicContact CG1-CG 4.18Å; I221-E253 VanDerWaalsContact CG1-OE1 3.25Å; I221-E253 WeakPolarHBondContact CG1-OE1 3.49Å; I221-I256 HydrophobicContact CD1-CB 3.85Å; I221-I256 HydrophobicContact CD1-CD1 4.25Å; I221-I256 HydrophobicContact CD1-CG2 3.63Å; I221-F264 HydrophobicContact CG2-CD1 4.1Å; I221-F264 HydrophobicContact CG2-CE1 3.68Å; I221-F264 HydrophobicContact CG2-CE2 4.29Å; I221-F264 HydrophobicContact CG2-CZ 3.81Å |
| 222 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | T189 M192 I196 A218 M219 K224 Y225 E226 | T189-A222 HydrophobicContact CG2-CB 4.03Å; T189-A222 WeakPolarHBondContact O-CB 3.49Å; M192-A222 HydrophobicContact CB-CB 4Å; M192-A222 HydrophobicContact CG-CB 3.85Å; M192-A222 HydrophobicContact SD-CB 4.15Å; I196-A222 HydrophobicContact CD1-CB 4.21Å; A218-A222 WeakPolarHBondContact O-CB 3.44Å; A218-A222 PolarHBondContact O-N 2.67Å; M219-A222 PolarHBondContact O-N 3.06Å; A222-K224 PolarHBondContact O-N 3.36Å; A222-Y225 PolarHBondContact O-N 2.87Å; A222-Y225 VanDerWaalsContact O-N 3.07Å; A222-E226 PolarHBondContact O-N 3.07Å |
| 223 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 178.5 | -58 | 0 | 0 | 0 | 0 | 111.2 | M219 F220 I221 Y225 E227 | M219-S223 VanDerWaalsContact O-CB 3.29Å; M219-S223 WeakPolarHBondContact O-CB 3.39Å; M219-S223 PolarHBondContact O-N 3.02Å; M219-S223 PolarHBondContact O-OG 3.13Å; F220-S223 PolarHBondContact O-N 3.37Å; I221-S223 VanDerWaalsContact C-N 3.31Å; I221-S223 PolarHBondContact O-N 2.85Å; S223-Y225 PolarHBondContact O-N 3.11Å; S223-E227 WeakPolarHBondContact O-CB 3.2Å; S223-E227 WeakPolarHBondContact O-CG 3.15Å; S223-E227 PolarHBondContact O-N 2.68Å |
| 224 | K | 98.4 | Very high | 98.3 | Very high | 97 Ų | 97 | 47.6 Ų | 47.6 | 42% | 0.422 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.8 | -10 | 176.1 | -71.9 | -172.6 | -63.6 | 176.2 | 0 | 114.5 | F220 I221 A222 P230 E253 | F220-K224 HydrophobicContact CD2-CD 4.49Å; F220-K224 HydrophobicContact CE1-CD 4.18Å; F220-K224 VanDerWaalsContact CE1-NZ 3.33Å; F220-K224 HydrophobicContact CE2-CD 3.91Å; F220-K224 HydrophobicContact CE2-CG 4.23Å; F220-K224 HydrophobicContact CZ-CD 3.74Å; F220-K224 WeakPolarHBondContact O-CG 3.45Å; F220-K224 PolarHBondContact O-N 3.12Å; F220-K224 VanDerWaalsContact O-N 3.09Å; I221-K224 PolarHBondContact O-N 3.5Å; A222-K224 PolarHBondContact O-N 3.36Å; K224-P230 HydrophobicContact CG-CB 4.24Å; K224-P230 HydrophobicContact CG-CG 4.23Å; K224-E253 VanDerWaalsContact CE-OE1 3.29Å; K224-E253 WeakPolarHBondContact CE-OE1 3.32Å; K224-E253 IonicContact NZ-OE1 2.67Å; K224-E253 PolarHBondContact NZ-OE1 3.39Å; K224-E253 IonicContact NZ-OE2 2.76Å; K224-E253 PolarHBondContact NZ-OE2 3.06Å |
| 225 | Y | 98.1 | Very high | 98.3 | Very high | 133 Ų | 133 | 50.4 Ų | 50.4 | 52% | 0.522 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -99.5 | -43.1 | 178.4 | -167.1 | -77.8 | 0 | 0 | 0 | 112.1 | M192 I221 A222 S223 F264 | M192-Y225 HydrophobicContact CE-CD1 3.53Å; M192-Y225 HydrophobicContact CE-CE1 3.76Å; M192-Y225 HydrophobicContact CE-CG 4.18Å; M192-Y225 HydrophobicContact SD-CD1 3.83Å; M192-Y225 HydrophobicContact SD-CG 3.91Å; I221-Y225 PolarHBondContact O-N 2.83Å; A222-Y225 PolarHBondContact O-N 2.87Å; A222-Y225 VanDerWaalsContact O-N 3.07Å; S223-Y225 PolarHBondContact O-N 3.11Å; Y225-F264 HydrophobicContact CD2-CB 4.13Å; Y225-F264 HydrophobicContact CE2-CB 3.99Å |
| 226 | E | 97.6 | Very high | 98.2 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -101.3 | -28.2 | -173.1 | -66.5 | -70.2 | 151.8 | 0 | 0 | 114.3 | E188 T189 M192 A222 | E188-E226 HydrophobicContact CB-CG 4.33Å; T189-E226 WeakPolarHBondContact OG1-CB 3.39Å; M192-E226 HydrophobicContact CE-CG 4.04Å; M192-E226 WeakPolarHBondContact CE-OE1 3.46Å; M192-E226 HydrophobicContact SD-CG 4.14Å; A222-E226 PolarHBondContact O-N 3.07Å |
| 227 | E | 98.1 | Very high | 98.2 | Very high | 35 Ų | 35 | 51 Ų | 51 | 16% | 0.164 | 24% | 0.243 | C | C | . | . | trans | -87.6 | 134.4 | -174.5 | -55.2 | -68.5 | 158.7 | 0 | 0 | 112.1 | L185 L186 T189 S223 Y229 P230 | L185-E227 VanDerWaalsContact CA-OE1 3.28Å; L185-E227 WeakPolarHBondContact CA-OE1 3.47Å; L185-E227 VanDerWaalsContact CB-OE1 3.3Å; L185-E227 WeakPolarHBondContact CB-OE1 3.3Å; L185-E227 HydrophobicContact CD2-CG 3.99Å; L186-E227 PolarHBondContact N-OE1 3.27Å; T189-E227 WeakPolarHBondContact CB-OE1 3.33Å; T189-E227 HydrophobicContact CG2-CG 4.4Å; T189-E227 PolarHBondContact OG1-OE1 2.78Å; S223-E227 WeakPolarHBondContact O-CB 3.2Å; S223-E227 WeakPolarHBondContact O-CG 3.15Å; S223-E227 PolarHBondContact O-N 2.68Å; E227-Y229 PolarHBondContact O-N 3.14Å; E227-P230 HydrophobicContact CB-CB 4.28Å | ||
| 228 | M | 97.6 | Very high | 98.1 | Very high | 153 Ų | 153 | 56.5 Ų | 56.5 | 75% | 0.754 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -63 | -28.7 | 169.6 | -172 | -179.5 | -174 | 0 | 0 | 112.4 | ||
| 229 | Y | 97.3 | Very high | 98 | Very high | 186 Ų | 186 | 57.1 Ų | 57.1 | 73% | 0.729 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -140.1 | 79.6 | -179.8 | -59.9 | -67.2 | 0 | 0 | 0 | 109.7 | E227 | E227-Y229 PolarHBondContact O-N 3.14Š|
| 230 | P | 97.9 | Very high | 97.8 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 34% | 0.344 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 148.3 | -178.7 | 27.1 | -34.8 | 0 | 0 | 0 | 112.1 | K224 E227 | K224-P230 HydrophobicContact CG-CB 4.24Å; K224-P230 HydrophobicContact CG-CG 4.23Å; E227-P230 HydrophobicContact CB-CB 4.28Å |
| 231 | P | 98 | Very high | 97.5 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 153 | 170.7 | -17.6 | 30 | 0 | 0 | 0 | 111.9 | F183 L185 D235 F236 | F183-P231 HydrophobicContact CB-CG 4.14Å; F183-P231 HydrophobicContact CD2-CB 4.5Å; F183-P231 HydrophobicContact CD2-CG 4.04Å; F183-P231 HydrophobicContact CG-CG 4.07Å; L185-P231 HydrophobicContact CD2-CG 3.91Å; P231-D235 HydrophobicContact CB-CB 4.03Å; P231-F236 HydrophobicContact CB-CD2 4.43Å; P231-F236 HydrophobicContact CB-CE2 3.79Å; P231-F236 HydrophobicContact CB-CZ 4.41Å; P231-F236 HydrophobicContact CG-CE2 4.09Å; P231-F236 HydrophobicContact CG-CZ 4.27Å |
| 232 | E | 97.9 | Very high | 97.1 | Very high | 132 Ų | 132 | 69.1 Ų | 69.1 | 62% | 0.617 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 159 | -179.4 | -69.1 | -168.8 | -173.4 | 0 | 0 | 111.6 | V234 D235 F236 | E232-V234 HydrophobicContact CB-CG2 3.71Å; E232-V234 PolarHBondContact O-N 3.12Å; E232-V234 VanDerWaalsContact O-N 3.07Å; E232-D235 PolarHBondContact N-OD2 3.22Å; E232-D235 WeakPolarHBondContact O-CB 3.48Å; E232-D235 PolarHBondContact O-N 3.17Å; E232-F236 WeakPolarHBondContact O-CD2 3.37Å; E232-F236 PolarHBondContact O-N 2.95Å |
| 233 | I | 98.3 | Very high | 96.9 | Very high | 31 Ų | 31 | 72 Ų | 72 | 16% | 0.159 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.7 | -24.3 | 175.8 | -165.1 | 169.6 | 0 | 0 | 0 | 112.9 | F220 A237 T246 I249 R250 | F220-I233 HydrophobicContact CE1-CB 4.36Å; F220-I233 HydrophobicContact CE1-CD1 4.05Å; F220-I233 HydrophobicContact CE1-CG1 4.22Å; F220-I233 HydrophobicContact CE2-CB 4.06Å; F220-I233 HydrophobicContact CZ-CB 3.83Å; F220-I233 HydrophobicContact CZ-CD1 4.29Å; F220-I233 HydrophobicContact CZ-CG1 4.2Å; I233-A237 PolarHBondContact O-N 3.32Å; I233-A237 VanDerWaalsContact O-N 3.11Å; I233-T246 WeakPolarHBondContact CD1-O 3.38Å; I233-T246 HydrophobicContact CG1-CG2 4.23Å; I233-T246 HydrophobicContact CG2-CG2 4.06Å; I233-I249 HydrophobicContact CD1-CB 4.07Å; I233-I249 HydrophobicContact CD1-CG2 3.87Å; I233-I249 HydrophobicContact CG1-CB 4.14Å; I233-I249 HydrophobicContact CG1-CD1 4.47Å; I233-I249 HydrophobicContact CG1-CG2 3.81Å; I233-R250 HydrophobicContact CD1-CG 3.55Å |
| 234 | V | 98 | Very high | 96.9 | Very high | 74 Ų | 74 | 73.2 Ų | 73.2 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.6 | -31.5 | 173.3 | -67 | 0 | 0 | 0 | 0 | 112.7 | E232 A237 F238 T246 | E232-V234 HydrophobicContact CB-CG2 3.71Å; E232-V234 PolarHBondContact O-N 3.12Å; E232-V234 VanDerWaalsContact O-N 3.07Å; V234-A237 PolarHBondContact O-N 3Å; V234-F238 VanDerWaalsContact O-CB 3.27Å; V234-F238 WeakPolarHBondContact O-CB 3.36Å; V234-F238 PolarHBondContact O-N 2.88Å; V234-T246 HydrophobicContact CG1-CG2 4.03Å |
| 235 | D | 97.9 | Very high | 96.9 | Very high | 60 Ų | 60 | 72.2 Ų | 72.2 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.9 | -39.8 | 175.4 | -63.3 | -53.6 | 0 | 0 | 0 | 110.8 | F183 P231 E232 F238 V239 | F183-D235 HydrophobicContact CE1-CB 4.03Å; F183-D235 HydrophobicContact CZ-CB 3.8Å; P231-D235 HydrophobicContact CB-CB 4.03Å; E232-D235 PolarHBondContact N-OD2 3.22Å; E232-D235 WeakPolarHBondContact O-CB 3.48Å; E232-D235 PolarHBondContact O-N 3.17Å; D235-F238 PolarHBondContact O-N 3.4Å; D235-V239 PolarHBondContact O-N 2.86Å |
| 236 | F | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.6 | -33.7 | 175.1 | -74.1 | -77.1 | 0 | 0 | 0 | 112.9 | F183 V216 M219 F220 P231 E232 I249 | F183-F236 HydrophobicContact CD2-CE1 4.27Å; F183-F236 HydrophobicContact CD2-CZ 4.27Å; F183-F236 HydrophobicContact CE2-CD1 4.13Å; F183-F236 AromaticContact CE2-CE1 3.86Å; F183-F236 HydrophobicContact CE2-CE1 3.86Å; F183-F236 HydrophobicContact CE2-CZ 4.12Å; V216-F236 HydrophobicContact CB-CD1 4.17Å; M219-F236 HydrophobicContact CB-CE1 3.87Å; M219-F236 HydrophobicContact CG-CE1 3.69Å; M219-F236 HydrophobicContact CG-CZ 4.1Å; M219-F236 HydrophobicContact SD-CE1 4.08Å; F220-F236 HydrophobicContact CB-CD1 4.39Å; F220-F236 HydrophobicContact CB-CD2 3.88Å; F220-F236 HydrophobicContact CB-CE1 4.49Å; F220-F236 HydrophobicContact CB-CE2 3.99Å; F220-F236 HydrophobicContact CB-CG 4.08Å; F220-F236 HydrophobicContact CB-CZ 4.3Å; F220-F236 AromaticContact CD2-CD2 3.58Å; F220-F236 HydrophobicContact CD2-CD2 3.58Å; F220-F236 AromaticContact CD2-CE2 3.7Å; F220-F236 HydrophobicContact CD2-CE2 3.7Å; F220-F236 HydrophobicContact CD2-CG 4.49Å; F220-F236 HydrophobicContact CG-CD2 4.09Å; F220-F236 HydrophobicContact CG-CE2 4.33Å; P231-F236 HydrophobicContact CB-CD2 4.43Å; P231-F236 HydrophobicContact CB-CE2 3.79Å; P231-F236 HydrophobicContact CB-CZ 4.41Å; P231-F236 HydrophobicContact CG-CE2 4.09Å; P231-F236 HydrophobicContact CG-CZ 4.27Å; E232-F236 WeakPolarHBondContact O-CD2 3.37Å; E232-F236 PolarHBondContact O-N 2.95Å; F236-I249 HydrophobicContact CB-CD1 4.27Å |
| 237 | A | 97.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 66.9 Ų | 66.9 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.1 | -47.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I233 V234 V239 T240 Q242 T246 I249 | I233-A237 PolarHBondContact O-N 3.32Å; I233-A237 VanDerWaalsContact O-N 3.11Å; V234-A237 PolarHBondContact O-N 3Å; A237-V239 PolarHBondContact O-N 3.42Å; A237-T240 PolarHBondContact O-N 2.85Å; A237-T240 PolarHBondContact O-OG1 3.29Å; A237-Q242 PolarHBondContact O-N 3.29Å; A237-T246 HydrophobicContact CB-CG2 4.01Å; A237-I249 HydrophobicContact CB-CD1 3.99Å |
| 238 | F | 96.9 | Very high | 96.9 | Very high | 117 Ų | 117 | 69 Ų | 69 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | -179.3 | 176.6 | -109.7 | 0 | 0 | 0 | 113.4 | V234 D235 T240 D241 | V234-F238 VanDerWaalsContact O-CB 3.27Å; V234-F238 WeakPolarHBondContact O-CB 3.36Å; V234-F238 PolarHBondContact O-N 2.88Å; D235-F238 PolarHBondContact O-N 3.4Å; F238-T240 PolarHBondContact O-N 3.42Å; F238-D241 PolarHBondContact O-N 3.11Å; F238-D241 VanDerWaalsContact O-N 3.08Å |
| 239 | V | 96.8 | Very high | 97 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.7 | -14.9 | 179.6 | 81.2 | 0 | 0 | 0 | 0 | 113.5 | W175 V179 K182 F183 V216 D235 A237 D241 | W175-V239 HydrophobicContact CH2-CG1 4.4Å; W175-V239 WeakPolarHBondContact CZ2-O 3.37Å; V179-V239 HydrophobicContact CG1-CG1 4.17Å; V179-V239 HydrophobicContact CG1-CG2 4.16Å; V179-V239 HydrophobicContact CG2-CG1 4.43Å; V179-V239 HydrophobicContact CG2-CG2 3.85Å; K182-V239 HydrophobicContact CD-CG2 4.17Å; F183-V239 HydrophobicContact CE2-CB 4.47Å; F183-V239 HydrophobicContact CE2-CG1 4.25Å; F183-V239 HydrophobicContact CZ-CB 3.95Å; F183-V239 HydrophobicContact CZ-CG1 4.16Å; F183-V239 HydrophobicContact CZ-CG2 4.35Å; V216-V239 HydrophobicContact CG1-CG1 4.34Å; D235-V239 PolarHBondContact O-N 2.86Å; A237-V239 PolarHBondContact O-N 3.42Å; V239-D241 PolarHBondContact O-N 3.01Å |
| 240 | T | 94.3 | Very high | 97 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 16.7 | 169.9 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | W175 Q212 V216 A237 F238 Q242 A243 Y244 | W175-T240 HydrophobicContact CH2-CG2 4.14Å; Q212-T240 HydrophobicContact CG-CG2 4.3Å; V216-T240 HydrophobicContact CB-CG2 4.35Å; V216-T240 HydrophobicContact CG1-CG2 3.56Å; V216-T240 HydrophobicContact CG2-CG2 3.99Å; A237-T240 PolarHBondContact O-N 2.85Å; A237-T240 PolarHBondContact O-OG1 3.29Å; F238-T240 PolarHBondContact O-N 3.42Å; T240-Q242 PolarHBondContact O-N 2.85Å; T240-A243 WeakPolarHBondContact O-CB 3.5Å; T240-A243 PolarHBondContact O-N 2.85Å; T240-Y244 HydrophobicContact CG2-CD2 3.98Å; T240-Y244 HydrophobicContact CG2-CE2 4.4Å |
| 241 | D | 93.8 | Very high | 97.1 | Very high | 124 Ų | 124 | 61.3 Ų | 61.3 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 33.3 | -170.7 | -62.6 | -37.9 | 0 | 0 | 0 | 112.4 | F238 V239 A243 | F238-D241 PolarHBondContact O-N 3.11Å; F238-D241 VanDerWaalsContact O-N 3.08Å; V239-D241 PolarHBondContact O-N 3.01Å; D241-A243 VanDerWaalsContact C-N 3.26Å; D241-A243 PolarHBondContact O-N 3.5Å |
| 242 | Q | 90.3 | Very high | 97.1 | Very high | 151 Ų | 151 | 60.8 Ų | 60.8 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 20.4 | -174.5 | -51.7 | -178.4 | 33.8 | 0 | 0 | 115.4 | A237 T240 Y244 | A237-Q242 PolarHBondContact O-N 3.29Å; T240-Q242 PolarHBondContact O-N 2.85Å; Q242-Y244 PolarHBondContact O-N 2.98Å; Q242-Y244 VanDerWaalsContact O-N 3.14Å |
| 243 | A | 94.7 | Very high | 97.1 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 51% | 0.512 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -59.7 | -21.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T240 D241 | T240-A243 WeakPolarHBondContact O-CB 3.5Å; T240-A243 PolarHBondContact O-N 2.85Å; D241-A243 VanDerWaalsContact C-N 3.26Å; D241-A243 PolarHBondContact O-N 3.5Å |
| 244 | Y | 97.1 | Very high | 97.1 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -132.3 | 142.8 | 173.6 | -48.3 | -77.2 | 0 | 0 | 0 | 112.1 | K209 Q212 L213 T240 Q242 | K209-Y244 PolarHBondContact O-OH 3.5Å; Q212-Y244 HydrophobicContact CB-CE2 3.95Å; Q212-Y244 HydrophobicContact CG-CE2 4.19Å; L213-Y244 HydrophobicContact CB-CD1 3.91Å; L213-Y244 HydrophobicContact CB-CD2 4.11Å; L213-Y244 HydrophobicContact CB-CE1 3.72Å; L213-Y244 HydrophobicContact CB-CE2 3.93Å; L213-Y244 HydrophobicContact CB-CG 4.09Å; L213-Y244 HydrophobicContact CD1-CD1 4.21Å; L213-Y244 HydrophobicContact CD1-CD2 4.34Å; L213-Y244 HydrophobicContact CD1-CG 3.91Å; L213-Y244 HydrophobicContact CD2-CD1 4.04Å; L213-Y244 HydrophobicContact CD2-CE1 4.32Å; L213-Y244 HydrophobicContact CG-CD1 4.28Å; L213-Y244 HydrophobicContact CG-CG 4.41Å; T240-Y244 HydrophobicContact CG2-CD2 3.98Å; T240-Y244 HydrophobicContact CG2-CE2 4.4Å; Q242-Y244 PolarHBondContact O-N 2.98Å; Q242-Y244 VanDerWaalsContact O-N 3.14Å |
| 245 | T | 98.1 | Very high | 97.1 | Very high | 75 Ų | 75 | 57.4 Ų | 57.4 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | trans | -80 | 158.6 | 174.6 | 63.2 | 0 | 0 | 0 | 0 | 112 | A247 Q248 I249 | T245-A247 PolarHBondContact O-N 3.37Å; T245-Q248 PolarHBondContact O-N 2.98Å; T245-Q248 VanDerWaalsContact O-N 3.12Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.44Å; T245-Q248 PolarHBondContact OG1-N 3.41Å; T245-Q248 PolarHBondContact OG1-OE1 3.13Å; T245-I249 PolarHBondContact O-N 2.98Å; T245-I249 VanDerWaalsContact O-N 3.13Å | ||
| 246 | T | 98.2 | Very high | 97.2 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -21.2 | 172.9 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | I233 V234 A237 R250 | I233-T246 WeakPolarHBondContact CD1-O 3.38Å; I233-T246 HydrophobicContact CG1-CG2 4.23Å; I233-T246 HydrophobicContact CG2-CG2 4.06Å; V234-T246 HydrophobicContact CG1-CG2 4.03Å; A237-T246 HydrophobicContact CB-CG2 4.01Å; T246-R250 WeakPolarHBondContact O-CG 3.46Å; T246-R250 PolarHBondContact O-N 3.19Å |
| 247 | A | 98.3 | Very high | 97.2 | Very high | 36 Ų | 36 | 55.8 Ų | 55.8 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.9 | -53 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T245 I249 R250 D251 | T245-A247 PolarHBondContact O-N 3.37Å; A247-I249 PolarHBondContact O-N 3.26Å; A247-R250 WeakPolarHBondContact O-CA 3.29Å; A247-R250 WeakPolarHBondContact O-CB 3.39Å; A247-R250 PolarHBondContact O-N 3.29Å; A247-D251 VanDerWaalsContact O-CG 3.29Å; A247-D251 PolarHBondContact O-N 3.38Å |
| 248 | Q | 98.4 | Very high | 97.2 | Very high | 79 Ų | 79 | 62.7 Ų | 62.7 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.6 | -33.2 | 178.4 | -69.5 | 160.8 | -70.5 | 0 | 0 | 112.8 | L213 T245 M252 | L213-Q248 HydrophobicContact CD1-CB 4.44Å; L213-Q248 HydrophobicContact CD2-CB 4.18Å; T245-Q248 PolarHBondContact O-N 2.98Å; T245-Q248 VanDerWaalsContact O-N 3.12Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.44Å; T245-Q248 PolarHBondContact OG1-N 3.41Å; T245-Q248 PolarHBondContact OG1-OE1 3.13Å; Q248-M252 WeakPolarHBondContact O-CB 3.45Å; Q248-M252 PolarHBondContact O-N 3.27Å |
| 249 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 173.7 | -62.5 | 169.3 | 0 | 0 | 0 | 110.9 | L213 T217 F220 I233 F236 A237 T245 A247 E253 | L213-I249 HydrophobicContact CD1-CB 4.5Å; L213-I249 HydrophobicContact CD1-CG1 3.77Å; T217-I249 HydrophobicContact CG2-CG2 4.29Å; T217-I249 WeakPolarHBondContact CG2-O 3.5Å; F220-I249 HydrophobicContact CD1-CG2 4.25Å; I233-I249 HydrophobicContact CD1-CB 4.07Å; I233-I249 HydrophobicContact CD1-CG2 3.87Å; I233-I249 HydrophobicContact CG1-CB 4.14Å; I233-I249 HydrophobicContact CG1-CD1 4.47Å; I233-I249 HydrophobicContact CG1-CG2 3.81Å; F236-I249 HydrophobicContact CB-CD1 4.27Å; A237-I249 HydrophobicContact CB-CD1 3.99Å; T245-I249 PolarHBondContact O-N 2.98Å; T245-I249 VanDerWaalsContact O-N 3.13Å; A247-I249 PolarHBondContact O-N 3.26Å; I249-E253 VanDerWaalsContact O-CB 3.26Å; I249-E253 WeakPolarHBondContact O-CB 3.4Å; I249-E253 PolarHBondContact O-N 2.83Å |
| 250 | R | 98.6 | Very high | 97.3 | Very high | 123 Ų | 123 | 59.3 Ų | 59.3 | 46% | 0.464 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 173.1 | -71.9 | -175.4 | -60.7 | -106.2 | 0.3 | 112.6 | I233 T246 A247 E253 M254 | I233-R250 HydrophobicContact CD1-CG 3.55Å; T246-R250 WeakPolarHBondContact O-CG 3.46Å; T246-R250 PolarHBondContact O-N 3.19Å; A247-R250 WeakPolarHBondContact O-CA 3.29Å; A247-R250 WeakPolarHBondContact O-CB 3.39Å; A247-R250 PolarHBondContact O-N 3.29Å; R250-E253 WeakPolarHBondContact O-CB 3.39Å; R250-E253 PolarHBondContact O-N 3.13Å; R250-M254 WeakPolarHBondContact O-CG 3.27Å; R250-M254 PolarHBondContact O-N 2.96Å |
| 251 | D | 98.5 | Very high | 97.4 | Very high | 108 Ų | 108 | 67.6 Ų | 67.6 | 58% | 0.578 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.8 | -41.4 | -179.6 | -62.3 | -32.8 | 0 | 0 | 0 | 111.2 | A247 K255 | A247-D251 VanDerWaalsContact O-CG 3.29Å; A247-D251 PolarHBondContact O-N 3.38Å; D251-K255 PolarHBondContact O-N 3.27Å; D251-K255 VanDerWaalsContact O-N 3.08Å |
| 252 | M | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 68 Ų | 68 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 171.7 | -173.6 | 62.4 | 73.2 | 0 | 0 | 111.6 | F200 Q210 L213 V214 T217 Q248 K255 I256 | F200-M252 HydrophobicContact CE1-SD 4.45Å; F200-M252 HydrophobicContact CZ-SD 4.19Å; Q210-M252 HydrophobicContact CB-CE 4.49Å; L213-M252 HydrophobicContact CB-CE 4.49Å; L213-M252 HydrophobicContact CD1-CB 4.33Å; L213-M252 HydrophobicContact CD2-CB 4.24Å; L213-M252 HydrophobicContact CD2-CE 3.78Å; L213-M252 HydrophobicContact CG-CB 4.01Å; L213-M252 HydrophobicContact CG-CE 3.93Å; L213-M252 HydrophobicContact CG-CG 4.11Å; V214-M252 HydrophobicContact CG2-CE 3.8Å; V214-M252 HydrophobicContact CG2-SD 3.83Å; T217-M252 HydrophobicContact CG2-CB 4.02Å; T217-M252 HydrophobicContact CG2-CG 3.99Å; Q248-M252 WeakPolarHBondContact O-CB 3.45Å; Q248-M252 PolarHBondContact O-N 3.27Å; M252-K255 WeakPolarHBondContact O-CA 3.34Å; M252-K255 WeakPolarHBondContact O-CB 3.28Å; M252-K255 PolarHBondContact O-N 3.12Å; M252-K255 VanDerWaalsContact O-N 3.08Å; M252-K255 HydrophobicContact SD-CB 4.48Å; M252-K255 HydrophobicContact SD-CD 4.09Å; M252-I256 HydrophobicContact CG-CD1 3.95Å; M252-I256 HydrophobicContact CG-CG1 4.35Å; M252-I256 WeakPolarHBondContact O-CG1 3.42Å; M252-I256 PolarHBondContact O-N 3.48Å; M252-I256 HydrophobicContact SD-CD1 4.48Å; M252-I256 HydrophobicContact SD-CG1 4.41Å |
| 253 | E | 98.7 | Very high | 97.9 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.1 | -51.2 | 177.2 | 163.1 | 159.2 | -94.1 | 0 | 0 | 109.9 | T217 F220 I221 K224 I249 R250 K255 I256 L257 | T217-E253 VanDerWaalsContact CG2-CA 3.48Å; T217-E253 HydrophobicContact CG2-CB 3.66Å; T217-E253 VanDerWaalsContact CG2-N 3.34Å; F220-E253 WeakPolarHBondContact CD1-OE1 3.47Å; F220-E253 WeakPolarHBondContact CE1-OE1 3.44Å; I221-E253 HydrophobicContact CD1-CB 4.46Å; I221-E253 HydrophobicContact CD1-CG 4.27Å; I221-E253 HydrophobicContact CG1-CG 4.18Å; I221-E253 VanDerWaalsContact CG1-OE1 3.25Å; I221-E253 WeakPolarHBondContact CG1-OE1 3.49Å; K224-E253 VanDerWaalsContact CE-OE1 3.29Å; K224-E253 WeakPolarHBondContact CE-OE1 3.32Å; K224-E253 IonicContact NZ-OE1 2.67Å; K224-E253 PolarHBondContact NZ-OE1 3.39Å; K224-E253 IonicContact NZ-OE2 2.76Å; K224-E253 PolarHBondContact NZ-OE2 3.06Å; I249-E253 VanDerWaalsContact O-CB 3.26Å; I249-E253 WeakPolarHBondContact O-CB 3.4Å; I249-E253 PolarHBondContact O-N 2.83Å; R250-E253 WeakPolarHBondContact O-CB 3.39Å; R250-E253 PolarHBondContact O-N 3.13Å; E253-K255 PolarHBondContact O-N 3.43Å; E253-K255 VanDerWaalsContact O-N 3.12Å; E253-I256 PolarHBondContact O-N 2.89Å; E253-I256 VanDerWaalsContact O-N 3.12Å; E253-L257 HydrophobicContact CG-CD1 3.58Å; E253-L257 HydrophobicContact CG-CG 4.05Å; E253-L257 WeakPolarHBondContact O-CB 3.29Å; E253-L257 WeakPolarHBondContact O-CG 3.39Å; E253-L257 PolarHBondContact O-N 3.31Å |
| 254 | M | 98.4 | Very high | 97.8 | Very high | 76 Ų | 76 | 61.1 Ų | 61.1 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -17.6 | 175.1 | -67.9 | -59.5 | -61.1 | 0 | 0 | 113.3 | R250 L257 R258 | R250-M254 WeakPolarHBondContact O-CG 3.27Å; R250-M254 PolarHBondContact O-N 2.96Å; M254-L257 HydrophobicContact SD-CD1 3.9Å; M254-R258 WeakPolarHBondContact O-CD 3.46Å; M254-R258 WeakPolarHBondContact O-CG 3.42Å; M254-R258 PolarHBondContact O-NH1 3.06Å |
| 255 | K | 98.4 | Very high | 97.5 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 30% | 0.3 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -79.8 | -50 | 169.8 | -166.3 | -173.5 | -178.2 | -157.8 | 0 | 111.2 | F200 N204 D251 M252 E253 R258 V259 | F200-K255 HydrophobicContact CE2-CD 4.43Å; F200-K255 HydrophobicContact CE2-CG 4.21Å; F200-K255 HydrophobicContact CZ-CD 3.96Å; F200-K255 HydrophobicContact CZ-CG 4.23Å; N204-K255 WeakPolarHBondContact OD1-CE 3.36Å; N204-K255 PolarHBondContact OD1-NZ 3.19Å; D251-K255 PolarHBondContact O-N 3.27Å; D251-K255 VanDerWaalsContact O-N 3.08Å; M252-K255 WeakPolarHBondContact O-CA 3.34Å; M252-K255 WeakPolarHBondContact O-CB 3.28Å; M252-K255 PolarHBondContact O-N 3.12Å; M252-K255 VanDerWaalsContact O-N 3.08Å; M252-K255 HydrophobicContact SD-CB 4.48Å; M252-K255 HydrophobicContact SD-CD 4.09Å; E253-K255 PolarHBondContact O-N 3.43Å; E253-K255 VanDerWaalsContact O-N 3.12Å; K255-R258 PolarHBondContact O-N 2.9Å; K255-V259 WeakPolarHBondContact O-CG2 3.45Å; K255-V259 PolarHBondContact O-N 3.09Å |
| 256 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -48 | 179.6 | -66.1 | 171 | 0 | 0 | 0 | 110.9 | I196 F200 T217 I221 M252 E253 R258 V259 L260 | I196-I256 HydrophobicContact CG2-CG2 3.66Å; F200-I256 HydrophobicContact CD1-CG1 4.4Å; F200-I256 HydrophobicContact CD2-CB 4.19Å; F200-I256 HydrophobicContact CD2-CG1 3.71Å; F200-I256 HydrophobicContact CD2-CG2 4.42Å; F200-I256 HydrophobicContact CE1-CG1 4.38Å; F200-I256 HydrophobicContact CE2-CB 4.34Å; F200-I256 HydrophobicContact CE2-CG1 3.69Å; F200-I256 HydrophobicContact CG-CG1 4.07Å; F200-I256 HydrophobicContact CZ-CG1 4.04Å; T217-I256 HydrophobicContact CG2-CD1 3.95Å; I221-I256 HydrophobicContact CD1-CB 3.85Å; I221-I256 HydrophobicContact CD1-CD1 4.25Å; I221-I256 HydrophobicContact CD1-CG2 3.63Å; M252-I256 HydrophobicContact CG-CD1 3.95Å; M252-I256 HydrophobicContact CG-CG1 4.35Å; M252-I256 WeakPolarHBondContact O-CG1 3.42Å; M252-I256 PolarHBondContact O-N 3.48Å; M252-I256 HydrophobicContact SD-CD1 4.48Å; M252-I256 HydrophobicContact SD-CG1 4.41Å; E253-I256 PolarHBondContact O-N 2.89Å; E253-I256 VanDerWaalsContact O-N 3.12Å; I256-R258 VanDerWaalsContact C-N 3.28Å; I256-R258 PolarHBondContact O-N 3.38Å; I256-V259 PolarHBondContact O-N 3.47Å; I256-L260 HydrophobicContact CG2-CD1 3.79Å; I256-L260 HydrophobicContact CG2-CG 4.36Å; I256-L260 WeakPolarHBondContact O-CB 3.4Å; I256-L260 PolarHBondContact O-N 3.46Å |
| 257 | L | 98.4 | Very high | 96.9 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53.5 | -42.9 | 177.4 | -70.1 | 171.6 | 0 | 0 | 0 | 112.2 | E253 M254 K261 F262 F264 | E253-L257 HydrophobicContact CG-CD1 3.58Å; E253-L257 HydrophobicContact CG-CG 4.05Å; E253-L257 WeakPolarHBondContact O-CB 3.29Å; E253-L257 WeakPolarHBondContact O-CG 3.39Å; E253-L257 PolarHBondContact O-N 3.31Å; M254-L257 HydrophobicContact SD-CD1 3.9Å; L257-K261 PolarHBondContact O-N 2.61Å; L257-K261 VanDerWaalsContact O-N 3.15Å; L257-F262 HydrophobicContact CB-CD1 4.3Å; L257-F262 HydrophobicContact CB-CE1 3.87Å; L257-F262 HydrophobicContact CB-CE2 4.42Å; L257-F262 HydrophobicContact CB-CZ 3.94Å; L257-F262 HydrophobicContact CD1-CE1 4.01Å; L257-F262 HydrophobicContact CD1-CZ 4.47Å; L257-F262 HydrophobicContact CD2-CD1 3.91Å; L257-F262 HydrophobicContact CD2-CE1 3.91Å; L257-F262 HydrophobicContact CG-CE1 4.15Å; L257-F262 PolarHBondContact O-N 3.23Å; L257-F264 HydrophobicContact CD2-CE2 3.6Å; L257-F264 HydrophobicContact CD2-CZ 3.76Å |
| 258 | R | 97.9 | Very high | 96.8 | Very high | 157 Ų | 157 | 56.4 Ų | 56.4 | 59% | 0.592 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -72.6 | -46.8 | 179.2 | -70.5 | 176 | -170.4 | 124.5 | -10.8 | 112.5 | M254 K255 I256 L260 K261 | M254-R258 WeakPolarHBondContact O-CD 3.46Å; M254-R258 WeakPolarHBondContact O-CG 3.42Å; M254-R258 PolarHBondContact O-NH1 3.06Å; K255-R258 PolarHBondContact O-N 2.9Å; I256-R258 VanDerWaalsContact C-N 3.28Å; I256-R258 PolarHBondContact O-N 3.38Å; R258-L260 VanDerWaalsContact C-N 3.33Å; R258-L260 PolarHBondContact O-N 2.92Å; R258-K261 PolarHBondContact O-N 3.09Å; R258-K261 VanDerWaalsContact O-N 3.1Å |
| 259 | V | 97.6 | Very high | 96.7 | Very high | 48 Ų | 48 | 53.2 Ų | 53.2 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 179.4 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | F200 K255 I256 K261 | F200-V259 HydrophobicContact CD2-CB 3.89Å; F200-V259 HydrophobicContact CD2-CG1 3.81Å; F200-V259 HydrophobicContact CD2-CG2 4.25Å; F200-V259 HydrophobicContact CE2-CB 4Å; F200-V259 HydrophobicContact CE2-CG1 4.25Å; F200-V259 HydrophobicContact CE2-CG2 3.87Å; K255-V259 WeakPolarHBondContact O-CG2 3.45Å; K255-V259 PolarHBondContact O-N 3.09Å; I256-V259 PolarHBondContact O-N 3.47Å; V259-K261 VanDerWaalsContact C-N 3.26Å; V259-K261 PolarHBondContact O-N 3.29Å |
| 260 | L | 97.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 4.1 | 178 | -59.1 | -177.8 | 0 | 0 | 0 | 113.8 | I196 R199 I256 R258 F262 S263 F264 | I196-L260 HydrophobicContact CB-CD1 4.37Å; I196-L260 HydrophobicContact CG1-CD1 4.4Å; I196-L260 HydrophobicContact CG2-CD1 3.88Å; R199-L260 HydrophobicContact CB-CD2 3.63Å; I256-L260 HydrophobicContact CG2-CD1 3.79Å; I256-L260 HydrophobicContact CG2-CG 4.36Å; I256-L260 WeakPolarHBondContact O-CB 3.4Å; I256-L260 PolarHBondContact O-N 3.46Å; R258-L260 VanDerWaalsContact C-N 3.33Å; R258-L260 PolarHBondContact O-N 2.92Å; L260-F262 PolarHBondContact O-N 3.24Å; L260-F262 VanDerWaalsContact O-N 3.16Å; L260-S263 WeakPolarHBondContact O-CB 3.24Å; L260-S263 PolarHBondContact O-N 3.38Å; L260-F264 HydrophobicContact CB-CE1 4.43Å; L260-F264 HydrophobicContact CB-CZ 4.41Å; L260-F264 HydrophobicContact CD1-CD1 4.47Å; L260-F264 HydrophobicContact CD1-CE1 3.72Å; L260-F264 HydrophobicContact CD1-CZ 4.36Å |
| 261 | K | 97.3 | Very high | 96.3 | Very high | 178 Ų | 178 | 50.7 Ų | 50.7 | 77% | 0.774 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 38.3 | 179 | -55.8 | 175.6 | -176.1 | 173.1 | 0 | 113.2 | L257 R258 V259 S263 | L257-K261 PolarHBondContact O-N 2.61Å; L257-K261 VanDerWaalsContact O-N 3.15Å; R258-K261 PolarHBondContact O-N 3.09Å; R258-K261 VanDerWaalsContact O-N 3.1Å; V259-K261 VanDerWaalsContact C-N 3.26Å; V259-K261 PolarHBondContact O-N 3.29Å; K261-S263 PolarHBondContact O-N 2.82Å |
| 262 | F | 97.2 | Very high | 96.3 | Very high | 134 Ų | 134 | 45.7 Ų | 45.7 | 59% | 0.588 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 11.7 | -173.1 | -61.8 | -98.6 | 0 | 0 | 0 | 115.8 | L257 L260 F264 | L257-F262 HydrophobicContact CB-CD1 4.3Å; L257-F262 HydrophobicContact CB-CE1 3.87Å; L257-F262 HydrophobicContact CB-CE2 4.42Å; L257-F262 HydrophobicContact CB-CZ 3.94Å; L257-F262 HydrophobicContact CD1-CE1 4.01Å; L257-F262 HydrophobicContact CD1-CZ 4.47Å; L257-F262 HydrophobicContact CD2-CD1 3.91Å; L257-F262 HydrophobicContact CD2-CE1 3.91Å; L257-F262 HydrophobicContact CG-CE1 4.15Å; L257-F262 PolarHBondContact O-N 3.23Å; L260-F262 PolarHBondContact O-N 3.24Å; L260-F262 VanDerWaalsContact O-N 3.16Å; F262-F264 VanDerWaalsContact O-CD2 3.29Å; F262-F264 WeakPolarHBondContact O-CD2 3.46Å; F262-F264 PolarHBondContact O-N 3.02Å |
| 263 | S | 95.7 | Very high | 96.2 | Very high | 50 Ų | 50 | 45.2 Ų | 45.2 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | trans | -87.7 | 97.4 | -179.5 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | R199 L260 K261 | R199-S263 PolarHBondContact NH1-O 3.2Å; R199-S263 PolarHBondContact NH2-O 3.05Å; L260-S263 WeakPolarHBondContact O-CB 3.24Å; L260-S263 PolarHBondContact O-N 3.38Å; K261-S263 PolarHBondContact O-N 2.82Å | ||
| 264 | F | 94.3 | Very high | 96.1 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | trans | -109.2 | -15 | -177.2 | -68.5 | -71.1 | 0 | 0 | 0 | 115.2 | I196 I221 Y225 L257 L260 F262 R266 | I196-F264 HydrophobicContact CD1-CD1 3.6Å; I196-F264 HydrophobicContact CD1-CE1 3.77Å; I196-F264 HydrophobicContact CG1-CD1 3.71Å; I196-F264 HydrophobicContact CG1-CE1 3.85Å; I196-F264 HydrophobicContact CG2-CE1 4.46Å; I221-F264 HydrophobicContact CG2-CD1 4.1Å; I221-F264 HydrophobicContact CG2-CE1 3.68Å; I221-F264 HydrophobicContact CG2-CE2 4.29Å; I221-F264 HydrophobicContact CG2-CZ 3.81Å; Y225-F264 HydrophobicContact CD2-CB 4.13Å; Y225-F264 HydrophobicContact CE2-CB 3.99Å; L257-F264 HydrophobicContact CD2-CE2 3.6Å; L257-F264 HydrophobicContact CD2-CZ 3.76Å; L260-F264 HydrophobicContact CB-CE1 4.43Å; L260-F264 HydrophobicContact CB-CZ 4.41Å; L260-F264 HydrophobicContact CD1-CD1 4.47Å; L260-F264 HydrophobicContact CD1-CE1 3.72Å; L260-F264 HydrophobicContact CD1-CZ 4.36Å; F262-F264 VanDerWaalsContact O-CD2 3.29Å; F262-F264 WeakPolarHBondContact O-CD2 3.46Å; F262-F264 PolarHBondContact O-N 3.02Å; F264-R266 PolarHBondContact O-N 2.67Å | ||
| 265 | G | 89.7 | Confident | 95.9 | Very high | 28 Ų | 28 | 47 Ų | 47 | 29% | 0.289 | 22% | 0.219 | S | C | . | . | trans | -73.3 | 48.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q152 | Q152-G265 PolarHBondContact NE2-O 2.94Å; Q152-G265 VanDerWaalsContact NE2-O 3.1Å | ||
| 266 | R | 90.5 | Very high | 95.8 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | trans | -71 | 132.2 | 167.2 | -172.6 | 178.9 | -170 | -107.8 | 4.3 | 107.5 | Q152 F264 | Q152-R266 HydrophobicContact CB-CB 4.21Å; Q152-R266 HydrophobicContact CB-CG 4.02Å; Q152-R266 PolarHBondContact O-NE 3.18Å; F264-R266 PolarHBondContact O-N 2.67Å | ||
| 267 | P | 94.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | trans | -63.1 | 149.4 | 179.3 | 32.2 | -40.9 | 0 | 0 | 0 | 110.5 | L145 L148 E149 F272 P308 | L145-P267 HydrophobicContact CB-CB 4.03Å; L145-P267 HydrophobicContact CD2-CB 3.79Å; L145-P267 HydrophobicContact CG-CB 4.44Å; L145-P267 WeakPolarHBondContact O-CG 3.17Å; L148-P267 HydrophobicContact CB-CG 4.43Å; E149-P267 HydrophobicContact CB-CG 3.57Å; E149-P267 HydrophobicContact CG-CG 4.22Å; P267-F272 HydrophobicContact CB-CE2 3.81Å; P267-F272 HydrophobicContact CB-CZ 4.25Å; P267-F272 HydrophobicContact CG-CE2 4.15Å; P267-P308 HydrophobicContact CG-CG 4.41Å; P267-P308 WeakPolarHBondContact O-CG 3.35Å | ||
| 268 | L | 94.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | trans | -104.2 | 137 | -174.3 | -55 | -178.9 | 0 | 0 | 0 | 109.5 | E188 F191 M192 L270 Q271 | E188-L268 HydrophobicContact CB-CD1 3.74Å; E188-L268 HydrophobicContact CG-CD1 3.96Å; F191-L268 HydrophobicContact CB-CD2 4.09Å; M192-L268 HydrophobicContact CB-CD2 4.29Å; L268-L270 PolarHBondContact O-N 2.77Å; L268-Q271 WeakPolarHBondContact O-CB 3.35Å; L268-Q271 PolarHBondContact O-N 3.35Å | ||
| 269 | P | 96.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.5 | -27.2 | 179.8 | -28.5 | 35 | 0 | 0 | 0 | 114.1 | F191 Q271 L273 V294 P308 A312 | F191-P269 HydrophobicContact CD1-CG 4.14Å; F191-P269 HydrophobicContact CE1-CG 4.33Å; P269-Q271 VanDerWaalsContact C-N 3.3Å; P269-Q271 PolarHBondContact O-N 3.18Å; P269-L273 VanDerWaalsContact O-CB 3.32Å; P269-L273 WeakPolarHBondContact O-CB 3.4Å; P269-L273 PolarHBondContact O-N 2.95Å; P269-V294 HydrophobicContact CB-CG1 3.4Å; P269-V294 HydrophobicContact CG-CG1 4.18Å; P269-P308 HydrophobicContact CG-CB 3.89Å; P269-A312 WeakPolarHBondContact O-CB 3.49Å |
| 270 | L | 95.4 | Very high | 94.9 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -32.2 | 174.9 | -65 | 175.9 | 0 | 0 | 0 | 114.1 | Q187 E188 F191 L268 R274 K291 | Q187-L270 HydrophobicContact CB-CD1 3.8Å; Q187-L270 HydrophobicContact CG-CD1 3.83Å; Q187-L270 HydrophobicContact CG-CD2 4.34Å; E188-L270 HydrophobicContact CG-CD1 4.01Å; F191-L270 HydrophobicContact CD2-CD1 3.82Å; F191-L270 HydrophobicContact CD2-CD2 4.41Å; F191-L270 HydrophobicContact CD2-CG 3.78Å; F191-L270 HydrophobicContact CE2-CD1 4.05Å; F191-L270 HydrophobicContact CE2-CD2 3.85Å; F191-L270 HydrophobicContact CE2-CG 3.73Å; L268-L270 PolarHBondContact O-N 2.77Å; L270-R274 WeakPolarHBondContact O-CB 3.42Å; L270-R274 WeakPolarHBondContact O-CD 3.3Å; L270-R274 WeakPolarHBondContact O-CG 3.48Å; L270-R274 PolarHBondContact O-N 2.76Å; L270-K291 HydrophobicContact CD2-CG 4.37Å |
| 271 | Q | 94.6 | Very high | 94.6 | Very high | 61 Ų | 61 | 45 Ų | 45 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.9 | -53.5 | -179.9 | -67.2 | 165.1 | -41.9 | 0 | 0 | 109.4 | Y142 L145 L268 P269 L273 R274 R275 | Y142-Q271 PolarHBondContact OH-O 2.98Å; L145-Q271 HydrophobicContact CD1-CB 4.39Å; L268-Q271 WeakPolarHBondContact O-CB 3.35Å; L268-Q271 PolarHBondContact O-N 3.35Å; P269-Q271 VanDerWaalsContact C-N 3.3Å; P269-Q271 PolarHBondContact O-N 3.18Å; Q271-L273 VanDerWaalsContact C-N 3.32Å; Q271-L273 PolarHBondContact O-N 3.49Å; Q271-R274 WeakPolarHBondContact O-CB 3.37Å; Q271-R274 PolarHBondContact O-N 2.93Å; Q271-R275 PolarHBondContact O-N 3Å; Q271-R275 VanDerWaalsContact O-N 3.08Å |
| 272 | F | 97.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.3 | -36.8 | 174.1 | -61.2 | -68.1 | 0 | 0 | 0 | 112.8 | Y142 L145 Q146 P267 R275 A276 P308 S309 A312 M336 | Y142-F272 AromaticContact CD1-CD1 3.86Å; Y142-F272 HydrophobicContact CD1-CD1 3.86Å; Y142-F272 AromaticContact CD1-CE1 3.89Å; Y142-F272 HydrophobicContact CD1-CE1 3.89Å; Y142-F272 HydrophobicContact CE1-CD1 4.09Å; Y142-F272 HydrophobicContact CE1-CE1 4.45Å; L145-F272 HydrophobicContact CB-CE1 4.18Å; L145-F272 HydrophobicContact CB-CZ 3.74Å; Q146-F272 HydrophobicContact CG-CE1 4.03Å; Q146-F272 HydrophobicContact CG-CZ 4.34Å; P267-F272 HydrophobicContact CB-CE2 3.81Å; P267-F272 HydrophobicContact CB-CZ 4.25Å; P267-F272 HydrophobicContact CG-CE2 4.15Å; F272-R275 WeakPolarHBondContact O-CB 3.48Å; F272-R275 PolarHBondContact O-N 3.42Å; F272-A276 PolarHBondContact O-N 3.19Å; F272-P308 HydrophobicContact CD2-CB 4.1Å; F272-P308 HydrophobicContact CE2-CB 4.02Å; F272-S309 VanDerWaalsContact CD2-CA 3.47Å; F272-A312 HydrophobicContact CB-CB 3.61Å; F272-M336 HydrophobicContact CB-CE 4.14Å |
| 273 | L | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.7 | -37.7 | 177 | 179.6 | 58.3 | 0 | 0 | 0 | 112.4 | P269 Q271 R275 S277 A290 K291 V294 A312 F316 | P269-L273 VanDerWaalsContact O-CB 3.32Å; P269-L273 WeakPolarHBondContact O-CB 3.4Å; P269-L273 PolarHBondContact O-N 2.95Å; Q271-L273 VanDerWaalsContact C-N 3.32Å; Q271-L273 PolarHBondContact O-N 3.49Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 3.17Å; L273-S277 VanDerWaalsContact O-CB 3.31Å; L273-S277 WeakPolarHBondContact O-CB 3.25Å; L273-S277 PolarHBondContact O-N 2.82Å; L273-S277 PolarHBondContact O-OG 3.11Å; L273-A290 HydrophobicContact CD1-CB 3.55Å; L273-A290 HydrophobicContact CD2-CB 4.01Å; L273-A290 HydrophobicContact CG-CB 4.4Å; L273-K291 HydrophobicContact CD2-CB 4.33Å; L273-K291 HydrophobicContact CD2-CG 3.6Å; L273-V294 HydrophobicContact CD2-CG2 4.09Å; L273-A312 HydrophobicContact CB-CB 4.03Å; L273-F316 HydrophobicContact CD1-CB 4.17Å; L273-F316 HydrophobicContact CD1-CD2 4.01Å |
| 274 | R | 95.2 | Very high | 94.1 | Very high | 127 Ų | 127 | 36 Ų | 36 | 48% | 0.479 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 170.4 | -76.6 | 165.2 | 174.3 | 132.7 | 3.5 | 110.5 | E188 L270 Q271 S277 K278 | E188-R274 IonicContact OE1-CZ 2.88Å; E188-R274 IonicContact OE1-NH1 2.6Å; E188-R274 PolarHBondContact OE1-NH1 3.41Å; E188-R274 IonicContact OE1-NH2 2.74Å; E188-R274 PolarHBondContact OE1-NH2 3.08Å; L270-R274 WeakPolarHBondContact O-CB 3.42Å; L270-R274 WeakPolarHBondContact O-CD 3.3Å; L270-R274 WeakPolarHBondContact O-CG 3.48Å; L270-R274 PolarHBondContact O-N 2.76Å; Q271-R274 WeakPolarHBondContact O-CB 3.37Å; Q271-R274 PolarHBondContact O-N 2.93Å; R274-S277 PolarHBondContact O-N 3.13Å; R274-K278 PolarHBondContact O-N 2.98Å |
| 275 | R | 95.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.038 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.7 | -55.2 | 176.9 | -172.3 | 54.2 | 178.7 | -173.5 | 5.8 | 112.2 | D124 Y142 Q271 F272 L273 S277 K278 I279 M336 | D124-R275 IonicContact OD1-CZ 2.63Å; D124-R275 IonicContact OD1-NH1 2.67Å; D124-R275 PolarHBondContact OD1-NH1 3.44Å; D124-R275 IonicContact OD1-NH2 3.87Å; D124-R275 IonicContact OD2-CZ 3.62Å; D124-R275 VanDerWaalsContact OD2-CZ 3.24Å; D124-R275 IonicContact OD2-NH1 2.68Å; D124-R275 PolarHBondContact OD2-NH1 3.12Å; D124-R275 IonicContact OD2-NH2 2.81Å; D124-R275 PolarHBondContact OD2-NH2 3.29Å; Y142-R275 HydrophobicContact CD1-CG 4.47Å; Y142-R275 HydrophobicContact CD2-CG 4.31Å; Y142-R275 HydrophobicContact CE1-CB 3.83Å; Y142-R275 HydrophobicContact CE1-CG 4.15Å; Y142-R275 HydrophobicContact CE2-CB 4.21Å; Y142-R275 HydrophobicContact CE2-CG 4Å; Q271-R275 PolarHBondContact O-N 3Å; Q271-R275 VanDerWaalsContact O-N 3.08Å; F272-R275 WeakPolarHBondContact O-CB 3.48Å; F272-R275 PolarHBondContact O-N 3.42Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 3.17Å; R275-S277 VanDerWaalsContact C-N 3.26Å; R275-S277 PolarHBondContact O-N 2.9Å; R275-K278 PolarHBondContact O-N 3.49Å; R275-K278 VanDerWaalsContact O-N 3.13Å; R275-I279 HydrophobicContact CG-CD1 3.79Å; R275-I279 WeakPolarHBondContact O-CD1 3.17Å; R275-I279 WeakPolarHBondContact O-CG1 3.34Å; R275-I279 PolarHBondContact O-N 3.25Å; R275-M336 HydrophobicContact CB-SD 4.34Å; R275-M336 HydrophobicContact CG-SD 4.07Å |
| 276 | A | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.8 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | F272 K278 I279 G280 F316 M336 | F272-A276 PolarHBondContact O-N 3.19Å; A276-K278 PolarHBondContact O-N 2.98Å; A276-I279 PolarHBondContact O-N 2.98Å; A276-G280 PolarHBondContact O-N 3.07Å; A276-F316 HydrophobicContact CB-CB 4.13Å; A276-F316 HydrophobicContact CB-CD1 3.95Å; A276-F316 HydrophobicContact CB-CD2 3.99Å; A276-F316 HydrophobicContact CB-CE1 4.33Å; A276-F316 HydrophobicContact CB-CE2 4.38Å; A276-F316 HydrophobicContact CB-CG 3.75Å; A276-F316 WeakPolarHBondContact O-CZ 3.29Å; A276-M336 HydrophobicContact CB-CE 4.01Å; A276-M336 HydrophobicContact CB-SD 3.95Å |
| 277 | S | 95.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.7 | -30.4 | -180 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | L273 R274 R275 E281 V282 H287 | L273-S277 VanDerWaalsContact O-CB 3.31Å; L273-S277 WeakPolarHBondContact O-CB 3.25Å; L273-S277 PolarHBondContact O-N 2.82Å; L273-S277 PolarHBondContact O-OG 3.11Å; R274-S277 PolarHBondContact O-N 3.13Å; R275-S277 VanDerWaalsContact C-N 3.26Å; R275-S277 PolarHBondContact O-N 2.9Å; S277-E281 PolarHBondContact O-N 3.4Å; S277-V282 PolarHBondContact O-N 2.88Å; S277-H287 WeakPolarHBondContact CB-ND1 3.37Å; S277-H287 PolarHBondContact OG-ND1 3.44Å |
| 278 | K | 92.9 | Very high | 94.9 | Very high | 68 Ų | 68 | 39.7 Ų | 39.7 | 30% | 0.296 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.9 | -50.1 | 169.9 | -171.8 | -171 | 177.6 | -169.6 | 0 | 110.6 | V123 D124 D127 R274 R275 A276 G280 E281 | V123-K278 WeakPolarHBondContact O-CE 3.14Å; V123-K278 PolarHBondContact O-NZ 3.01Å; D124-K278 IonicContact OD1-NZ 2.65Å; D124-K278 PolarHBondContact OD1-NZ 2.84Å; D127-K278 IonicContact OD1-NZ 3.62Å; D127-K278 PolarHBondContact OD1-NZ 2.9Å; D127-K278 IonicContact OD2-NZ 2.91Å; D127-K278 PolarHBondContact OD2-NZ 2.96Å; R274-K278 PolarHBondContact O-N 2.98Å; R275-K278 PolarHBondContact O-N 3.49Å; R275-K278 VanDerWaalsContact O-N 3.13Å; A276-K278 PolarHBondContact O-N 2.98Å; K278-G280 VanDerWaalsContact C-N 3.35Å; K278-G280 PolarHBondContact O-N 3.19Å; K278-E281 PolarHBondContact O-N 3.46Å; K278-E281 VanDerWaalsContact O-N 3.1Å |
| 279 | I | 93 | Very high | 95.1 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | -175.9 | -63.1 | 152.9 | 0 | 0 | 0 | 112.1 | V123 R275 A276 E281 T331 L332 Y335 M336 | V123-I279 HydrophobicContact CG1-CB 4.47Å; V123-I279 HydrophobicContact CG1-CG1 4.21Å; V123-I279 HydrophobicContact CG1-CG2 4.3Å; V123-I279 HydrophobicContact CG2-CG1 4Å; R275-I279 HydrophobicContact CG-CD1 3.79Å; R275-I279 WeakPolarHBondContact O-CD1 3.17Å; R275-I279 WeakPolarHBondContact O-CG1 3.34Å; R275-I279 PolarHBondContact O-N 3.25Å; A276-I279 PolarHBondContact O-N 2.98Å; I279-E281 VanDerWaalsContact C-N 3.3Å; I279-T331 HydrophobicContact CG2-CG2 3.82Å; I279-L332 HydrophobicContact CB-CD2 3.85Å; I279-L332 HydrophobicContact CG2-CD2 3.62Å; I279-L332 HydrophobicContact CG2-CG 3.9Å; I279-Y335 VanDerWaalsContact CD1-CB 3.42Å; I279-Y335 HydrophobicContact CD1-CD2 4.29Å; I279-Y335 HydrophobicContact CD1-CG 4.05Å; I279-Y335 HydrophobicContact CG1-CD2 4.27Å; I279-Y335 HydrophobicContact CG1-CG 4.44Å; I279-M336 HydrophobicContact CD1-CG 4.4Å; I279-M336 HydrophobicContact CD1-SD 3.97Å |
| 280 | G | 92.3 | Very high | 95.2 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 6.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | A276 K278 V282 | A276-G280 PolarHBondContact O-N 3.07Å; K278-G280 VanDerWaalsContact C-N 3.35Å; K278-G280 PolarHBondContact O-N 3.19Å; G280-V282 VanDerWaalsContact O-CG1 3.22Å; G280-V282 WeakPolarHBondContact O-CG1 3.44Å; G280-V282 PolarHBondContact O-N 2.95Å |
| 281 | E | 90.8 | Very high | 95.3 | Very high | 139 Ų | 139 | 40.7 Ų | 40.7 | 65% | 0.65 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 37.3 | 175.6 | -60.8 | -179 | -170 | 0 | 0 | 114.1 | K121 S277 K278 I279 | K121-E281 IonicContact NZ-OE1 2.74Å; K121-E281 PolarHBondContact NZ-OE1 2.94Å; S277-E281 PolarHBondContact O-N 3.4Å; K278-E281 PolarHBondContact O-N 3.46Å; K278-E281 VanDerWaalsContact O-N 3.1Å; I279-E281 VanDerWaalsContact C-N 3.3Å |
| 282 | V | 91.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 37.8 Ų | 37.8 | 19% | 0.194 | 20% | 0.199 | C | C | . | . | trans | -83.8 | 158.4 | -165.1 | -57.6 | 0 | 0 | 0 | 0 | 115.1 | S277 G280 H286 H287 F316 L320 | S277-V282 PolarHBondContact O-N 2.88Å; G280-V282 VanDerWaalsContact O-CG1 3.22Å; G280-V282 WeakPolarHBondContact O-CG1 3.44Å; G280-V282 PolarHBondContact O-N 2.95Å; V282-H286 HydrophobicContact CB-CB 3.88Å; V282-H286 HydrophobicContact CG2-CB 4.08Å; V282-H287 HydrophobicContact CG2-CB 4.41Å; V282-F316 HydrophobicContact CB-CE2 4.48Å; V282-F316 HydrophobicContact CG1-CE2 3.81Å; V282-F316 HydrophobicContact CG1-CZ 3.53Å; V282-F316 HydrophobicContact CG2-CE2 3.85Å; V282-F316 HydrophobicContact CG2-CZ 4.36Å; V282-L320 HydrophobicContact CG1-CD2 4.29Å | ||
| 283 | T | 94.2 | Very high | 95.5 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 43% | 0.429 | 20% | 0.198 | S | C | . | . | trans | -64.5 | 157.6 | 173.4 | 74.1 | 0 | 0 | 0 | 0 | 112.6 | E285 H286 H287 | T283-E285 PolarHBondContact O-N 2.81Å; T283-E285 PolarHBondContact OG1-N 2.89Å; T283-H286 PolarHBondContact O-N 2.73Å; T283-H286 PolarHBondContact OG1-CD2 3.21Å; T283-H286 VanDerWaalsContact OG1-CD2 3.24Å; T283-H286 VanDerWaalsContact OG1-CG 3.23Å; T283-H286 PolarHBondContact OG1-N 2.9Å; T283-H286 VanDerWaalsContact OG1-N 3.17Å; T283-H287 PolarHBondContact O-N 3.18Å | ||
| 284 | A | 94.8 | Very high | 95.6 | Very high | 71 Ų | 71 | 37.6 Ų | 37.6 | 59% | 0.587 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -58.5 | -30 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T288 M377 | A284-T288 VanDerWaalsContact O-CB 3.25Å; A284-T288 WeakPolarHBondContact O-CB 3.27Å; A284-T288 PolarHBondContact O-N 3.39Å; A284-T288 PolarHBondContact O-OG1 2.9Å; A284-M377 WeakPolarHBondContact O-CE 3.32Å |
| 285 | E | 95.7 | Very high | 95.7 | Very high | 80 Ų | 80 | 31.7 Ų | 31.7 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.9 | -50.1 | 176 | -170.7 | 177.5 | -167.7 | 0 | 0 | 111.2 | T283 H287 T288 L289 F323 I379 | T283-E285 PolarHBondContact O-N 2.81Å; T283-E285 PolarHBondContact OG1-N 2.89Å; E285-H287 PolarHBondContact O-N 2.6Å; E285-T288 PolarHBondContact O-N 3.39Å; E285-T288 VanDerWaalsContact O-N 3.15Å; E285-L289 PolarHBondContact O-N 3.07Å; E285-F323 HydrophobicContact CG-CE1 4.41Å; E285-F323 HydrophobicContact CG-CZ 3.84Å; E285-I379 HydrophobicContact CG-CD1 3.54Å |
| 286 | H | 95.7 | Very high | 95.8 | Very high | 24 Ų | 24 | 31.6 Ų | 31.6 | 11% | 0.111 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -50.3 | 175.5 | -58 | 169.8 | 0 | 0 | 0 | 110.7 | V282 T283 T288 L289 A290 T319 F323 C325 | V282-H286 HydrophobicContact CB-CB 3.88Å; V282-H286 HydrophobicContact CG2-CB 4.08Å; T283-H286 PolarHBondContact O-N 2.73Å; T283-H286 PolarHBondContact OG1-CD2 3.21Å; T283-H286 VanDerWaalsContact OG1-CD2 3.24Å; T283-H286 VanDerWaalsContact OG1-CG 3.23Å; T283-H286 PolarHBondContact OG1-N 2.9Å; T283-H286 VanDerWaalsContact OG1-N 3.17Å; H286-T288 PolarHBondContact O-N 3.09Å; H286-L289 PolarHBondContact O-N 3.05Å; H286-L289 VanDerWaalsContact O-N 3.08Å; H286-A290 PolarHBondContact O-N 2.93Å; H286-T319 HydrophobicContact CB-CG2 3.79Å; H286-T319 WeakPolarHBondContact O-CG2 3.49Å; H286-F323 AromaticContact CD2-CD2 3.5Å; H286-F323 VanDerWaalsContact CD2-CD2 3.5Å; H286-F323 WeakPolarHBondContact CD2-CD2 3.3Å; H286-F323 AromaticContact CD2-CE2 3.73Å; H286-F323 AromaticContact CD2-CG 3.68Å; H286-F323 AromaticContact NE2-CG 3.83Å; H286-C325 PolarHBondContact CE1-SG 2.76Å |
| 287 | H | 96.9 | Very high | 95.9 | Very high | 47 Ų | 47 | 32.3 Ų | 32.3 | 22% | 0.218 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.8 | -37.5 | 177.2 | -179.8 | 72.6 | 0 | 0 | 0 | 112.5 | S277 V282 T283 E285 K291 | S277-H287 WeakPolarHBondContact CB-ND1 3.37Å; S277-H287 PolarHBondContact OG-ND1 3.44Å; V282-H287 HydrophobicContact CG2-CB 4.41Å; T283-H287 PolarHBondContact O-N 3.18Å; E285-H287 PolarHBondContact O-N 2.6Å; H287-K291 WeakPolarHBondContact NE2-CD 3.42Å; H287-K291 WeakPolarHBondContact O-CG 3.45Å; H287-K291 PolarHBondContact O-N 3.42Å |
| 288 | T | 97.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 31.8 Ų | 31.8 | 9% | 0.086 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.7 | -31.6 | 178.9 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | A284 E285 H286 Y292 Y371 Q376 M377 I379 | A284-T288 VanDerWaalsContact O-CB 3.25Å; A284-T288 WeakPolarHBondContact O-CB 3.27Å; A284-T288 PolarHBondContact O-N 3.39Å; A284-T288 PolarHBondContact O-OG1 2.9Å; E285-T288 PolarHBondContact O-N 3.39Å; E285-T288 VanDerWaalsContact O-N 3.15Å; H286-T288 PolarHBondContact O-N 3.09Å; T288-Y292 PolarHBondContact O-N 3.21Å; T288-Y371 HydrophobicContact CG2-CD1 4.35Å; T288-Y371 HydrophobicContact CG2-CE1 4.2Å; T288-Q376 HydrophobicContact CG2-CB 4.44Å; T288-M377 VanDerWaalsContact CB-CE 3.47Å; T288-M377 HydrophobicContact CG2-CE 3.8Å; T288-M377 WeakPolarHBondContact OG1-CE 3.33Å; T288-I379 HydrophobicContact CG2-CB 4.38Å; T288-I379 HydrophobicContact CG2-CG2 4.11Å |
| 289 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68 | -46.4 | 170.4 | -177.7 | 64.9 | 0 | 0 | 0 | 111.5 | E285 H286 K291 Y292 F293 T319 V322 F323 I379 I382 L385 | E285-L289 PolarHBondContact O-N 3.07Å; H286-L289 PolarHBondContact O-N 3.05Å; H286-L289 VanDerWaalsContact O-N 3.08Å; L289-K291 VanDerWaalsContact C-N 3.27Å; L289-K291 PolarHBondContact O-N 2.83Å; L289-Y292 HydrophobicContact CD1-CD1 4.03Å; L289-Y292 WeakPolarHBondContact O-CA 3.1Å; L289-Y292 WeakPolarHBondContact O-CB 3.17Å; L289-Y292 PolarHBondContact O-N 3.46Å; L289-F293 HydrophobicContact CD1-CD1 4.33Å; L289-F293 HydrophobicContact CD1-CE1 3.74Å; L289-F293 HydrophobicContact CD1-CE2 4.28Å; L289-F293 HydrophobicContact CD1-CZ 3.73Å; L289-F293 HydrophobicContact CD2-CE2 3.88Å; L289-F293 HydrophobicContact CD2-CZ 3.77Å; L289-F293 HydrophobicContact CG-CD2 4.31Å; L289-F293 HydrophobicContact CG-CE1 4.16Å; L289-F293 HydrophobicContact CG-CE2 3.78Å; L289-F293 HydrophobicContact CG-CZ 3.72Å; L289-F293 PolarHBondContact O-N 3.08Å; L289-T319 HydrophobicContact CB-CG2 4.28Å; L289-T319 HydrophobicContact CD2-CG2 4.25Å; L289-V322 HydrophobicContact CD2-CB 4.2Å; L289-V322 HydrophobicContact CD2-CG1 3.75Å; L289-F323 HydrophobicContact CB-CE2 3.97Å; L289-F323 HydrophobicContact CD2-CD2 3.88Å; L289-F323 HydrophobicContact CD2-CE2 3.43Å; L289-F323 VanDerWaalsContact CD2-CE2 3.43Å; L289-F323 HydrophobicContact CD2-CZ 4.36Å; L289-F323 HydrophobicContact CG-CE2 4.31Å; L289-I379 HydrophobicContact CB-CD1 4.16Å; L289-I379 HydrophobicContact CB-CG1 3.7Å; L289-I379 HydrophobicContact CD1-CG1 3.83Å; L289-I379 HydrophobicContact CG-CG1 4.36Å; L289-I382 HydrophobicContact CD1-CD1 4.42Å; L289-I382 HydrophobicContact CD2-CD1 4.39Å; L289-L385 HydrophobicContact CD1-CD1 4.04Å; L289-L385 HydrophobicContact CD1-CD2 3.99Å; L289-L385 HydrophobicContact CD1-CG 4.43Å |
| 290 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.8 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L273 H286 Y292 F293 V294 T319 | L273-A290 HydrophobicContact CD1-CB 3.55Å; L273-A290 HydrophobicContact CD2-CB 4.01Å; L273-A290 HydrophobicContact CG-CB 4.4Å; H286-A290 PolarHBondContact O-N 2.93Å; A290-Y292 PolarHBondContact O-N 2.71Å; A290-F293 WeakPolarHBondContact O-CB 3.27Å; A290-F293 PolarHBondContact O-N 2.78Å; A290-V294 WeakPolarHBondContact O-CG2 3.37Å; A290-V294 PolarHBondContact O-N 2.9Å; A290-T319 WeakPolarHBondContact CA-OG1 3.37Å; A290-T319 WeakPolarHBondContact CB-OG1 3.38Å; A290-T319 PolarHBondContact N-OG1 3.3Å |
| 291 | K | 98.1 | Very high | 96.7 | Very high | 50 Ų | 50 | 29.8 Ų | 29.8 | 22% | 0.217 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 171.7 | -79.9 | 179.6 | 59.4 | 178.4 | 0 | 113.4 | L270 L273 H287 L289 F293 V294 E295 Y371 | L270-K291 HydrophobicContact CD2-CG 4.37Å; L273-K291 HydrophobicContact CD2-CB 4.33Å; L273-K291 HydrophobicContact CD2-CG 3.6Å; H287-K291 WeakPolarHBondContact NE2-CD 3.42Å; H287-K291 WeakPolarHBondContact O-CG 3.45Å; H287-K291 PolarHBondContact O-N 3.42Å; L289-K291 VanDerWaalsContact C-N 3.27Å; L289-K291 PolarHBondContact O-N 2.83Å; K291-F293 VanDerWaalsContact C-N 3.35Å; K291-V294 PolarHBondContact O-N 3Å; K291-E295 PolarHBondContact O-N 3.31Å; K291-Y371 HydrophobicContact CB-CE1 4.39Å |
| 292 | Y | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 174.8 | 170.2 | -124.1 | 0 | 0 | 0 | 111.4 | T288 L289 A290 E295 L296 V357 V367 K368 Y371 I379 A380 L385 | T288-Y292 PolarHBondContact O-N 3.21Å; L289-Y292 HydrophobicContact CD1-CD1 4.03Å; L289-Y292 WeakPolarHBondContact O-CA 3.1Å; L289-Y292 WeakPolarHBondContact O-CB 3.17Å; L289-Y292 PolarHBondContact O-N 3.46Å; A290-Y292 PolarHBondContact O-N 2.71Å; Y292-E295 PolarHBondContact O-N 3.3Å; Y292-L296 HydrophobicContact CD1-CD1 4.5Å; Y292-L296 HydrophobicContact CD2-CG 4.31Å; Y292-L296 HydrophobicContact CE1-CD1 3.96Å; Y292-L296 HydrophobicContact CE2-CD1 4.01Å; Y292-L296 HydrophobicContact CE2-CD2 3.94Å; Y292-L296 HydrophobicContact CE2-CG 3.89Å; Y292-L296 WeakPolarHBondContact O-CG 3.43Å; Y292-L296 PolarHBondContact O-N 3.39Å; Y292-V357 WeakPolarHBondContact OH-CG2 3.13Å; Y292-V367 HydrophobicContact CD2-CG1 4.08Å; Y292-V367 HydrophobicContact CE2-CG1 4.1Å; Y292-K368 HydrophobicContact CE2-CB 4.41Å; Y292-Y371 VanDerWaalsContact CD2-CB 3.49Å; Y292-Y371 HydrophobicContact CD2-CD1 4.34Å; Y292-Y371 AromaticContact CD2-CD2 3.69Å; Y292-Y371 HydrophobicContact CD2-CD2 3.69Å; Y292-Y371 AromaticContact CD2-CG 3.57Å; Y292-Y371 HydrophobicContact CD2-CG 3.57Å; Y292-Y371 HydrophobicContact CG-CD1 4.35Å; Y292-Y371 HydrophobicContact CG-CD2 4.43Å; Y292-Y371 HydrophobicContact CG-CG 4.01Å; Y292-I379 HydrophobicContact CG-CG2 4.4Å; Y292-A380 HydrophobicContact CD1-CB 4.29Å; Y292-A380 HydrophobicContact CD2-CB 4.23Å; Y292-A380 HydrophobicContact CE1-CB 3.8Å; Y292-A380 HydrophobicContact CE2-CB 3.74Å; Y292-A380 HydrophobicContact CG-CB 4.47Å; Y292-A380 VanDerWaalsContact CZ-CB 3.47Å; Y292-L385 HydrophobicContact CD1-CD1 4.4Å; Y292-L385 HydrophobicContact CE1-CD1 3.95Å |
| 293 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.6 | -47.4 | 175.5 | -69.5 | -17.4 | 0 | 0 | 0 | 112.7 | L289 A290 K291 E295 L296 T297 A315 L318 V322 I350 V354 L385 | L289-F293 HydrophobicContact CD1-CD1 4.33Å; L289-F293 HydrophobicContact CD1-CE1 3.74Å; L289-F293 HydrophobicContact CD1-CE2 4.28Å; L289-F293 HydrophobicContact CD1-CZ 3.73Å; L289-F293 HydrophobicContact CD2-CE2 3.88Å; L289-F293 HydrophobicContact CD2-CZ 3.77Å; L289-F293 HydrophobicContact CG-CD2 4.31Å; L289-F293 HydrophobicContact CG-CE1 4.16Å; L289-F293 HydrophobicContact CG-CE2 3.78Å; L289-F293 HydrophobicContact CG-CZ 3.72Å; L289-F293 PolarHBondContact O-N 3.08Å; A290-F293 WeakPolarHBondContact O-CB 3.27Å; A290-F293 PolarHBondContact O-N 2.78Å; K291-F293 VanDerWaalsContact C-N 3.35Å; F293-E295 VanDerWaalsContact C-N 3.3Å; F293-E295 PolarHBondContact O-N 3.48Å; F293-L296 PolarHBondContact O-N 3.28Å; F293-L296 VanDerWaalsContact O-N 3.16Å; F293-T297 WeakPolarHBondContact O-CG2 3.42Å; F293-T297 PolarHBondContact O-N 2.97Å; F293-A315 HydrophobicContact CB-CB 3.8Å; F293-L318 HydrophobicContact CD2-CB 4.3Å; F293-L318 HydrophobicContact CD2-CD2 4.06Å; F293-L318 HydrophobicContact CD2-CG 4.27Å; F293-L318 HydrophobicContact CE2-CB 4.08Å; F293-L318 HydrophobicContact CE2-CD2 3.79Å; F293-L318 HydrophobicContact CE2-CG 3.72Å; F293-L318 HydrophobicContact CZ-CD2 4.12Å; F293-L318 HydrophobicContact CZ-CG 4.27Å; F293-V322 HydrophobicContact CZ-CG2 4.28Å; F293-I350 HydrophobicContact CB-CG2 3.68Å; F293-I350 HydrophobicContact CD1-CG2 3.92Å; F293-I350 HydrophobicContact CD2-CG2 4.21Å; F293-I350 HydrophobicContact CG-CG2 3.68Å; F293-V354 HydrophobicContact CD1-CG2 3.78Å; F293-V354 HydrophobicContact CE1-CG2 3.52Å; F293-L385 HydrophobicContact CE1-CD2 3.66Å; F293-L385 HydrophobicContact CZ-CD2 3.64Å |
| 294 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.9 | -34 | 176.4 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | F191 P269 L273 A290 K291 T297 V311 A315 | F191-V294 HydrophobicContact CE1-CG1 3.79Å; F191-V294 HydrophobicContact CE2-CG1 4.43Å; F191-V294 HydrophobicContact CZ-CB 4.42Å; F191-V294 HydrophobicContact CZ-CG1 3.56Å; P269-V294 HydrophobicContact CB-CG1 3.4Å; P269-V294 HydrophobicContact CG-CG1 4.18Å; L273-V294 HydrophobicContact CD2-CG2 4.09Å; A290-V294 WeakPolarHBondContact O-CG2 3.37Å; A290-V294 PolarHBondContact O-N 2.9Å; K291-V294 PolarHBondContact O-N 3Å; V294-T297 PolarHBondContact O-OG1 3.43Å; V294-V311 HydrophobicContact CG1-CG1 4.21Å; V294-V311 HydrophobicContact CG2-CG1 4.46Å; V294-A315 HydrophobicContact CG2-CB 3.35Å |
| 295 | E | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73.6 | -27.1 | 174.3 | -80 | -162.1 | -127.1 | 0 | 0 | 114 | Q187 F191 K291 Y292 F293 T297 M298 V367 K370 Y371 | Q187-E295 PolarHBondContact NE2-OE1 2.88Å; Q187-E295 PolarHBondContact NE2-OE2 3.43Å; Q187-E295 PolarHBondContact OE1-OE1 3.48Å; Q187-E295 VanDerWaalsContact OE1-OE1 3.06Å; F191-E295 HydrophobicContact CE2-CG 4.16Å; F191-E295 HydrophobicContact CZ-CG 3.74Å; K291-E295 PolarHBondContact O-N 3.31Å; Y292-E295 PolarHBondContact O-N 3.3Å; F293-E295 VanDerWaalsContact C-N 3.3Å; F293-E295 PolarHBondContact O-N 3.48Å; E295-T297 VanDerWaalsContact C-N 3.33Å; E295-M298 HydrophobicContact CB-CE 3.99Å; E295-M298 HydrophobicContact CG-CE 3.94Å; E295-M298 WeakPolarHBondContact O-CE 3.34Å; E295-V367 HydrophobicContact CB-CG1 3.67Å; E295-K370 VanDerWaalsContact CD-NZ 3.28Å; E295-K370 IonicContact OE1-NZ 2.74Å; E295-K370 PolarHBondContact OE1-NZ 3.16Å; E295-K370 VanDerWaalsContact OE1-NZ 3.13Å; E295-K370 WeakPolarHBondContact OE2-CE 3.2Å; E295-K370 IonicContact OE2-NZ 3.81Å; E295-K370 PolarHBondContact OE2-NZ 3.03Å; E295-Y371 HydrophobicContact CB-CE2 4.26Å; E295-Y371 VanDerWaalsContact CD-CE2 3.48Å; E295-Y371 HydrophobicContact CG-CE2 4.26Å; E295-Y371 WeakPolarHBondContact OE1-CE2 3.48Å; E295-Y371 VanDerWaalsContact OE1-CZ 3.27Å; E295-Y371 PolarHBondContact OE1-OH 3.34Å |
| 296 | L | 97.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 19.7 Ų | 19.7 | 5% | 0.047 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.3 | -34.6 | 173.1 | -73.4 | 176 | 0 | 0 | 0 | 112 | Y292 F293 M298 V299 N353 V354 V357 V367 | Y292-L296 HydrophobicContact CD1-CD1 4.5Å; Y292-L296 HydrophobicContact CD2-CG 4.31Å; Y292-L296 HydrophobicContact CE1-CD1 3.96Å; Y292-L296 HydrophobicContact CE2-CD1 4.01Å; Y292-L296 HydrophobicContact CE2-CD2 3.94Å; Y292-L296 HydrophobicContact CE2-CG 3.89Å; Y292-L296 WeakPolarHBondContact O-CG 3.43Å; Y292-L296 PolarHBondContact O-N 3.39Å; F293-L296 PolarHBondContact O-N 3.28Å; F293-L296 VanDerWaalsContact O-N 3.16Å; L296-M298 PolarHBondContact O-N 2.95Å; L296-V299 PolarHBondContact O-N 3.41Å; L296-N353 HydrophobicContact CB-CB 4.45Å; L296-V354 HydrophobicContact CD1-CG2 3.76Å; L296-V357 HydrophobicContact CD2-CG1 4.15Å; L296-V357 HydrophobicContact CD2-CG2 4.33Å; L296-V367 HydrophobicContact CD2-CB 4.19Å; L296-V367 HydrophobicContact CD2-CG1 3.95Å; L296-V367 HydrophobicContact CG-CG1 4.28Å |
| 297 | T | 98 | Very high | 97.7 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 9% | 0.086 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66 | -26 | -178.3 | 74.9 | 0 | 0 | 0 | 0 | 112.8 | F293 V294 E295 V299 D300 M303 V311 I350 | F293-T297 WeakPolarHBondContact O-CG2 3.42Å; F293-T297 PolarHBondContact O-N 2.97Å; V294-T297 PolarHBondContact O-OG1 3.43Å; E295-T297 VanDerWaalsContact C-N 3.33Å; T297-V299 PolarHBondContact O-N 2.66Å; T297-V299 VanDerWaalsContact O-N 3.13Å; T297-D300 PolarHBondContact O-N 3.39Å; T297-D300 VanDerWaalsContact O-N 3.1Å; T297-M303 VanDerWaalsContact CB-SD 3.58Å; T297-M303 HydrophobicContact CG2-CE 3.74Å; T297-M303 HydrophobicContact CG2-SD 3.39Å; T297-M303 WeakPolarHBondContact CG2-SD 3.44Å; T297-V311 HydrophobicContact CG2-CG1 3.97Å; T297-I350 HydrophobicContact CG2-CD1 4.35Å; T297-I350 HydrophobicContact CG2-CG1 3.78Å |
| 298 | M | 97.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 18.1 Ų | 18.1 | 3% | 0.03 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -35.4 | 175.9 | -62.8 | -167.6 | -60.3 | 0 | 0 | 112.6 | R169 I173 V177 M190 F191 V194 E295 L296 | R169-M298 PolarHBondContact NH1-O 3.05Å; R169-M298 PolarHBondContact NH2-O 3.2Å; R169-M298 VanDerWaalsContact NH2-O 3.14Å; I173-M298 HydrophobicContact CG2-CB 3.98Å; V177-M298 HydrophobicContact CG2-CE 3.89Å; M190-M298 HydrophobicContact CE-CE 4.45Å; M190-M298 HydrophobicContact CE-SD 4.5Å; M190-M298 HydrophobicContact CG-CE 3.97Å; M190-M298 HydrophobicContact CG-SD 3.88Å; F191-M298 HydrophobicContact CD1-CG 3.83Å; F191-M298 HydrophobicContact CD1-SD 3.64Å; F191-M298 HydrophobicContact CE1-CG 3.4Å; F191-M298 VanDerWaalsContact CE1-CG 3.4Å; F191-M298 HydrophobicContact CE1-SD 3.47Å; F191-M298 WeakPolarHBondContact CE1-SD 3.29Å; F191-M298 HydrophobicContact CG-SD 4.28Å; F191-M298 HydrophobicContact CZ-CG 4.25Å; F191-M298 HydrophobicContact CZ-SD 3.98Å; V194-M298 HydrophobicContact CG2-CB 4.23Å; V194-M298 HydrophobicContact CG2-CG 4.34Å; V194-M298 HydrophobicContact CG2-SD 4.04Å; E295-M298 HydrophobicContact CB-CE 3.99Å; E295-M298 HydrophobicContact CG-CE 3.94Å; E295-M298 WeakPolarHBondContact O-CE 3.34Å; L296-M298 PolarHBondContact O-N 2.95Å |
| 299 | V | 96.8 | Very high | 97.7 | Very high | 20 Ų | 20 | 17.5 Ų | 17.5 | 12% | 0.121 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -28 | -176.6 | -177 | 0 | 0 | 0 | 0 | 111.8 | A170 I173 L296 T297 Y301 H364 V367 | A170-V299 HydrophobicContact CB-CG1 3.77Å; A170-V299 WeakPolarHBondContact CB-O 3.34Å; I173-V299 HydrophobicContact CG2-CG2 4.2Å; L296-V299 PolarHBondContact O-N 3.41Å; T297-V299 PolarHBondContact O-N 2.66Å; T297-V299 VanDerWaalsContact O-N 3.13Å; V299-Y301 PolarHBondContact O-N 2.93Å; V299-H364 HydrophobicContact CG1-CB 3.82Å; V299-V367 HydrophobicContact CG2-CG2 4.39Å |
| 300 | D | 97 | Very high | 97.7 | Very high | 12 Ų | 12 | 19 Ų | 19 | 6% | 0.064 | 9% | 0.093 | C | C | . | . | trans | -80.1 | 110.4 | -176.2 | -171.1 | 3.7 | 0 | 0 | 0 | 111.9 | T297 E302 M303 H349 K352 N353 | T297-D300 PolarHBondContact O-N 3.39Å; T297-D300 VanDerWaalsContact O-N 3.1Å; D300-E302 PolarHBondContact O-N 3.03Å; D300-E302 WeakPolarHBondContact OD1-CB 3.42Å; D300-E302 PolarHBondContact OD1-N 3.46Å; D300-M303 HydrophobicContact CB-CB 4.31Å; D300-M303 HydrophobicContact CB-CG 4.1Å; D300-M303 PolarHBondContact O-N 3.27Å; D300-M303 WeakPolarHBondContact OD2-CG 3.04Å; D300-H349 IonicContact OD2-ND1 3.97Å; D300-K352 IonicContact OD1-NZ 2.76Å; D300-K352 VanDerWaalsContact OD2-CE 3.27Å; D300-K352 WeakPolarHBondContact OD2-CE 3.26Å; D300-K352 IonicContact OD2-NZ 3.16Å; D300-K352 PolarHBondContact OD2-NZ 3.47Å; D300-N353 VanDerWaalsContact CB-ND2 3.3Å; D300-N353 WeakPolarHBondContact CB-ND2 3.32Å; D300-N353 PolarHBondContact OD2-ND2 2.97Å; D300-N353 PolarHBondContact OD2-OD1 3.33Å | ||
| 301 | Y | 97.7 | Very high | 97.8 | Very high | 35 Ų | 35 | 19.3 Ų | 19.3 | 14% | 0.137 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -64.2 | -26.4 | 177.5 | 172.2 | -110.2 | 0 | 0 | 0 | 113.1 | N157 Y158 L159 V299 M303 V304 | N157-Y301 WeakPolarHBondContact CA-OH 3.39Å; N157-Y301 PolarHBondContact O-OH 3.5Å; Y158-Y301 HydrophobicContact CD1-CE2 4.18Å; Y158-Y301 HydrophobicContact CE1-CD2 4.44Å; Y158-Y301 AromaticContact CE1-CE2 3.9Å; Y158-Y301 HydrophobicContact CE1-CE2 3.9Å; Y158-Y301 PolarHBondContact N-OH 3.27Å; L159-Y301 HydrophobicContact CB-CE2 3.98Å; L159-Y301 VanDerWaalsContact CB-OH 3.32Å; L159-Y301 WeakPolarHBondContact CB-OH 3.36Å; L159-Y301 HydrophobicContact CD1-CD2 3.98Å; L159-Y301 HydrophobicContact CD1-CE2 3.61Å; L159-Y301 HydrophobicContact CG-CE2 3.71Å; L159-Y301 PolarHBondContact N-OH 3.49Å; V299-Y301 PolarHBondContact O-N 2.93Å; Y301-M303 PolarHBondContact O-N 3.13Å; Y301-V304 HydrophobicContact CD2-CG1 4.23Å; Y301-V304 WeakPolarHBondContact O-CG1 3.49Å; Y301-V304 WeakPolarHBondContact O-CG2 3.41Å |
| 302 | E | 96.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 16.9 Ų | 16.9 | 37% | 0.374 | 9% | 0.085 | S | C | . | . | G | 310 helix | trans | -68.2 | -28.6 | 177.8 | -56.9 | 161.6 | -126.2 | 0 | 0 | 111.1 | D300 H305 H349 K352 K356 | D300-E302 PolarHBondContact O-N 3.03Å; D300-E302 WeakPolarHBondContact OD1-CB 3.42Å; D300-E302 PolarHBondContact OD1-N 3.46Å; E302-H305 PolarHBondContact O-CE1 3.4Å; E302-H305 VanDerWaalsContact O-CE1 3.27Å; E302-H305 PolarHBondContact O-ND1 3.24Å; E302-H349 IonicContact OE2-CE1 3.17Å; E302-H349 PolarHBondContact OE2-CE1 3.42Å; E302-H349 VanDerWaalsContact OE2-CE1 3.23Å; E302-H349 IonicContact OE2-ND1 2.74Å; E302-K352 IonicContact OE1-NZ 2.7Å; E302-K352 PolarHBondContact OE1-NZ 3.34Å; E302-K352 IonicContact OE2-NZ 3.65Å; E302-K352 PolarHBondContact OE2-NZ 2.88Å; E302-K356 IonicContact OE1-NZ 3.51Å |
| 303 | M | 97.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.03 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -86.5 | -4.9 | -175.7 | -67 | -162.7 | 81.5 | 0 | 0 | 115.6 | T297 D300 Y301 H305 F306 A346 H349 I350 | T297-M303 VanDerWaalsContact CB-SD 3.58Å; T297-M303 HydrophobicContact CG2-CE 3.74Å; T297-M303 HydrophobicContact CG2-SD 3.39Å; T297-M303 WeakPolarHBondContact CG2-SD 3.44Å; D300-M303 HydrophobicContact CB-CB 4.31Å; D300-M303 HydrophobicContact CB-CG 4.1Å; D300-M303 PolarHBondContact O-N 3.27Å; D300-M303 WeakPolarHBondContact OD2-CG 3.04Å; Y301-M303 PolarHBondContact O-N 3.13Å; M303-H305 PolarHBondContact O-N 2.85Å; M303-F306 HydrophobicContact CB-CD2 3.87Å; M303-F306 HydrophobicContact CB-CE2 4.27Å; M303-F306 HydrophobicContact CE-CD2 3.72Å; M303-F306 HydrophobicContact CE-CE2 3.97Å; M303-F306 HydrophobicContact CG-CD2 4.03Å; M303-F306 HydrophobicContact CG-CE2 4Å; M303-F306 WeakPolarHBondContact O-CD2 3.49Å; M303-F306 PolarHBondContact O-N 2.91Å; M303-F306 VanDerWaalsContact O-N 3.13Å; M303-A346 HydrophobicContact CE-CB 4.41Å; M303-H349 HydrophobicContact CE-CB 3.82Å; M303-H349 HydrophobicContact CG-CB 3.81Å; M303-H349 HydrophobicContact SD-CB 3.62Å; M303-I350 HydrophobicContact CE-CG1 4.01Å; M303-I350 HydrophobicContact SD-CG1 4.29Å |
| 304 | V | 97.2 | Very high | 97.7 | Very high | 12 Ų | 12 | 16.9 Ų | 16.9 | 7% | 0.073 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25.7 | -171.8 | -62.7 | 0 | 0 | 0 | 0 | 114.5 | V154 Y158 Y301 | V154-V304 WeakPolarHBondContact CB-O 3.48Å; V154-V304 HydrophobicContact CG1-CB 4.08Å; V154-V304 HydrophobicContact CG1-CG2 4.06Å; Y158-V304 HydrophobicContact CD1-CG2 4.03Å; Y158-V304 HydrophobicContact CE1-CB 4.27Å; Y158-V304 HydrophobicContact CE1-CG1 4.34Å; Y158-V304 HydrophobicContact CE1-CG2 3.87Å; Y301-V304 HydrophobicContact CD2-CG1 4.23Å; Y301-V304 WeakPolarHBondContact O-CG1 3.49Å; Y301-V304 WeakPolarHBondContact O-CG2 3.41Å |
| 305 | H | 97.1 | Very high | 97.7 | Very high | 69 Ų | 69 | 16.9 Ų | 16.9 | 32% | 0.319 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -14 | -174.4 | 74.2 | -81.4 | 0 | 0 | 0 | 114.2 | V154 P156 E302 M303 | V154-H305 WeakPolarHBondContact O-CA 3.27Å; P156-H305 HydrophobicContact CB-CB 3.82Å; P156-H305 HydrophobicContact CG-CB 4.45Å; E302-H305 PolarHBondContact O-CE1 3.4Å; E302-H305 VanDerWaalsContact O-CE1 3.27Å; E302-H305 PolarHBondContact O-ND1 3.24Å; M303-H305 PolarHBondContact O-N 2.85Å |
| 306 | F | 97.7 | Very high | 97.7 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 6% | 0.057 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -70 | 136 | 177.4 | -67 | -62.9 | 0 | 0 | 0 | 110.6 | M303 V311 H345 | M303-F306 HydrophobicContact CB-CD2 3.87Å; M303-F306 HydrophobicContact CB-CE2 4.27Å; M303-F306 HydrophobicContact CE-CD2 3.72Å; M303-F306 HydrophobicContact CE-CE2 3.97Å; M303-F306 HydrophobicContact CG-CD2 4.03Å; M303-F306 HydrophobicContact CG-CE2 4Å; M303-F306 WeakPolarHBondContact O-CD2 3.49Å; M303-F306 PolarHBondContact O-N 2.91Å; M303-F306 VanDerWaalsContact O-N 3.13Å; F306-V311 HydrophobicContact CB-CG2 3.59Å; F306-H345 AromaticContact CZ-CD2 3.7Å |
| 307 | P | 97.4 | Very high | 97.7 | Very high | 37 Ų | 37 | 16.4 Ų | 16.4 | 24% | 0.24 | 8% | 0.082 | C | C | . | . | trans | -57.5 | 140.1 | 172.6 | -25.3 | 34.9 | 0 | 0 | 0 | 112 | E149 S309 Q310 V311 | E149-P307 HydrophobicContact CG-CB 4.35Å; E149-P307 WeakPolarHBondContact OE2-CB 3.3Å; P307-S309 PolarHBondContact O-N 2.76Å; P307-S309 VanDerWaalsContact O-N 3.13Å; P307-Q310 HydrophobicContact CB-CB 4.38Å; P307-Q310 PolarHBondContact O-N 2.92Å; P307-V311 WeakPolarHBondContact O-CG2 3.4Å; P307-V311 PolarHBondContact O-N 3.25Å | ||
| 308 | P | 97.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.013 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -44.4 | -37.7 | 170.4 | -34.5 | 38 | 0 | 0 | 0 | 115.4 | E149 P267 P269 F272 A312 | E149-P308 HydrophobicContact CB-CG 4.35Å; E149-P308 WeakPolarHBondContact OE2-CD 3.46Å; E149-P308 VanDerWaalsContact OE2-N 3.16Å; P267-P308 HydrophobicContact CG-CG 4.41Å; P267-P308 WeakPolarHBondContact O-CG 3.35Å; P269-P308 HydrophobicContact CG-CB 3.89Å; F272-P308 HydrophobicContact CD2-CB 4.1Å; F272-P308 HydrophobicContact CE2-CB 4.02Å; P308-A312 WeakPolarHBondContact O-CB 3.47Å; P308-A312 PolarHBondContact O-N 3.43Å |
| 309 | S | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.1 | -43.8 | 175.4 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | E149 F272 P307 A312 S313 Y338 | E149-S309 WeakPolarHBondContact OE1-CB 3.48Å; E149-S309 PolarHBondContact OE1-OG 2.79Å; E149-S309 PolarHBondContact OE2-N 2.94Å; E149-S309 PolarHBondContact OE2-OG 2.99Å; F272-S309 VanDerWaalsContact CD2-CA 3.47Å; P307-S309 PolarHBondContact O-N 2.76Å; P307-S309 VanDerWaalsContact O-N 3.13Å; S309-A312 PolarHBondContact O-N 3.32Å; S309-S313 VanDerWaalsContact O-CB 3.29Å; S309-S313 WeakPolarHBondContact O-CB 3.41Å; S309-S313 PolarHBondContact O-N 3.21Å; S309-S313 PolarHBondContact O-OG 2.85Å; S309-Y338 PolarHBondContact OG-OH 2.91Å; S309-Y338 VanDerWaalsContact OG-OH 3.09Å |
| 310 | Q | 98.2 | Very high | 97.6 | Very high | 31 Ų | 31 | 14.9 Ų | 14.9 | 15% | 0.145 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 176.3 | -159.7 | -180 | 9.1 | 0 | 0 | 111.3 | P307 A312 S313 A314 Y338 S342 L343 | P307-Q310 HydrophobicContact CB-CB 4.38Å; P307-Q310 PolarHBondContact O-N 2.92Å; Q310-A312 PolarHBondContact O-N 3.32Å; Q310-S313 PolarHBondContact O-N 3.11Å; Q310-A314 VanDerWaalsContact O-CB 3.3Å; Q310-A314 WeakPolarHBondContact O-CB 3.44Å; Q310-A314 PolarHBondContact O-N 2.72Å; Q310-Y338 HydrophobicContact CB-CE1 4.02Å; Q310-Y338 HydrophobicContact CB-CE2 4.07Å; Q310-Y338 HydrophobicContact CG-CD1 4.25Å; Q310-Y338 HydrophobicContact CG-CE1 3.79Å; Q310-Y338 HydrophobicContact CG-CE2 4.48Å; Q310-S342 PolarHBondContact NE2-O 3.13Å; Q310-L343 HydrophobicContact CG-CD2 3.85Å |
| 311 | V | 98.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | V294 T297 F306 P307 A315 | V294-V311 HydrophobicContact CG1-CG1 4.21Å; V294-V311 HydrophobicContact CG2-CG1 4.46Å; T297-V311 HydrophobicContact CG2-CG1 3.97Å; F306-V311 HydrophobicContact CB-CG2 3.59Å; P307-V311 WeakPolarHBondContact O-CG2 3.4Å; P307-V311 PolarHBondContact O-N 3.25Å; V311-A315 VanDerWaalsContact O-CB 3.3Å; V311-A315 WeakPolarHBondContact O-CB 3.42Å; V311-A315 PolarHBondContact O-N 3.18Å; V311-A315 VanDerWaalsContact O-N 3.08Å |
| 312 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.2 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P269 F272 L273 P308 S309 Q310 A315 F316 | P269-A312 WeakPolarHBondContact O-CB 3.49Å; F272-A312 HydrophobicContact CB-CB 3.61Å; L273-A312 HydrophobicContact CB-CB 4.03Å; P308-A312 WeakPolarHBondContact O-CB 3.47Å; P308-A312 PolarHBondContact O-N 3.43Å; S309-A312 PolarHBondContact O-N 3.32Å; Q310-A312 PolarHBondContact O-N 3.32Å; A312-A315 PolarHBondContact O-N 3.07Å; A312-F316 WeakPolarHBondContact O-CB 3.39Å; A312-F316 PolarHBondContact O-N 3.05Å |
| 313 | S | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.3 | -45.8 | 180 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | S309 Q310 F316 A317 M336 | S309-S313 VanDerWaalsContact O-CB 3.29Å; S309-S313 WeakPolarHBondContact O-CB 3.41Å; S309-S313 PolarHBondContact O-N 3.21Å; S309-S313 PolarHBondContact O-OG 2.85Å; Q310-S313 PolarHBondContact O-N 3.11Å; S313-F316 WeakPolarHBondContact O-CB 3.24Å; S313-F316 PolarHBondContact O-N 3.16Å; S313-A317 WeakPolarHBondContact O-CB 3.46Å; S313-A317 PolarHBondContact O-N 3.43Å; S313-M336 VanDerWaalsContact OG-CE 3.25Å; S313-M336 WeakPolarHBondContact OG-CE 3.48Å |
| 314 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q310 F316 L318 L343 A346 M347 I350 | Q310-A314 VanDerWaalsContact O-CB 3.3Å; Q310-A314 WeakPolarHBondContact O-CB 3.44Å; Q310-A314 PolarHBondContact O-N 2.72Å; A314-F316 VanDerWaalsContact C-N 3.27Å; A314-F316 PolarHBondContact O-N 3.46Å; A314-L318 VanDerWaalsContact O-CB 3.27Å; A314-L318 WeakPolarHBondContact O-CB 3.5Å; A314-L318 PolarHBondContact O-N 3Å; A314-L343 HydrophobicContact CB-CB 4.18Å; A314-L343 HydrophobicContact CB-CD2 4.27Å; A314-A346 HydrophobicContact CB-CB 3.51Å; A314-M347 HydrophobicContact CB-CG 3.93Å; A314-M347 WeakPolarHBondContact O-CG 3.44Å; A314-I350 HydrophobicContact CB-CD1 4.12Å |
| 315 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.8 | -32.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F293 V294 V311 A312 T319 I350 | F293-A315 HydrophobicContact CB-CB 3.8Å; V294-A315 HydrophobicContact CG2-CB 3.35Å; V311-A315 VanDerWaalsContact O-CB 3.3Å; V311-A315 WeakPolarHBondContact O-CB 3.42Å; V311-A315 PolarHBondContact O-N 3.18Å; V311-A315 VanDerWaalsContact O-N 3.08Å; A312-A315 PolarHBondContact O-N 3.07Å; A315-T319 WeakPolarHBondContact O-CB 3.3Å; A315-T319 PolarHBondContact O-N 3.41Å; A315-T319 PolarHBondContact O-OG1 2.96Å; A315-I350 HydrophobicContact CB-CD1 4.04Å |
| 316 | F | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74.2 | -48.9 | 174.6 | -170 | -98.8 | 0 | 0 | 0 | 112.1 | L273 A276 V282 A312 S313 A314 L318 T319 L320 W328 L332 | L273-F316 HydrophobicContact CD1-CB 4.17Å; L273-F316 HydrophobicContact CD1-CD2 4.01Å; A276-F316 HydrophobicContact CB-CB 4.13Å; A276-F316 HydrophobicContact CB-CD1 3.95Å; A276-F316 HydrophobicContact CB-CD2 3.99Å; A276-F316 HydrophobicContact CB-CE1 4.33Å; A276-F316 HydrophobicContact CB-CE2 4.38Å; A276-F316 HydrophobicContact CB-CG 3.75Å; A276-F316 WeakPolarHBondContact O-CZ 3.29Å; V282-F316 HydrophobicContact CB-CE2 4.48Å; V282-F316 HydrophobicContact CG1-CE2 3.81Å; V282-F316 HydrophobicContact CG1-CZ 3.53Å; V282-F316 HydrophobicContact CG2-CE2 3.85Å; V282-F316 HydrophobicContact CG2-CZ 4.36Å; A312-F316 WeakPolarHBondContact O-CB 3.39Å; A312-F316 PolarHBondContact O-N 3.05Å; S313-F316 WeakPolarHBondContact O-CB 3.24Å; S313-F316 PolarHBondContact O-N 3.16Å; A314-F316 VanDerWaalsContact C-N 3.27Å; A314-F316 PolarHBondContact O-N 3.46Å; F316-L318 VanDerWaalsContact C-N 3.34Å; F316-L318 PolarHBondContact O-N 3.1Å; F316-T319 WeakPolarHBondContact O-CA 3.38Å; F316-T319 VanDerWaalsContact O-CB 3.24Å; F316-T319 WeakPolarHBondContact O-CB 3.33Å; F316-T319 PolarHBondContact O-N 3.31Å; F316-L320 HydrophobicContact CD1-CD1 4.23Å; F316-L320 HydrophobicContact CD1-CG 4.42Å; F316-L320 HydrophobicContact CE1-CD1 3.95Å; F316-L320 HydrophobicContact CE1-CD2 4.31Å; F316-L320 HydrophobicContact CE1-CG 4.21Å; F316-L320 HydrophobicContact CZ-CD2 4.43Å; F316-L320 PolarHBondContact O-N 3.16Å; F316-W328 HydrophobicContact CD1-CZ3 4.11Å; F316-L332 HydrophobicContact CD1-CD2 4.23Å; F316-L332 HydrophobicContact CE1-CD1 3.91Å; F316-L332 HydrophobicContact CE1-CD2 3.73Å |
| 317 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S313 T319 L320 K321 W328 L343 M347 | S313-A317 WeakPolarHBondContact O-CB 3.46Å; S313-A317 PolarHBondContact O-N 3.43Å; A317-T319 VanDerWaalsContact C-N 3.27Å; A317-T319 PolarHBondContact O-N 3.13Å; A317-L320 PolarHBondContact O-N 3.5Å; A317-K321 PolarHBondContact O-N 3.08Å; A317-K321 VanDerWaalsContact O-N 3.09Å; A317-W328 HydrophobicContact CB-CE3 3.8Å; A317-W328 HydrophobicContact CB-CZ3 4.13Å; A317-L343 HydrophobicContact CB-CD1 4.07Å; A317-M347 HydrophobicContact CB-CE 4.39Å; A317-M347 HydrophobicContact CB-SD 3.68Å |
| 318 | L | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -34.4 | 174.8 | -174.1 | 60.3 | 0 | 0 | 0 | 111.9 | F293 A314 F316 K321 V322 M347 I350 L389 I390 L393 | F293-L318 HydrophobicContact CD2-CB 4.3Å; F293-L318 HydrophobicContact CD2-CD2 4.06Å; F293-L318 HydrophobicContact CD2-CG 4.27Å; F293-L318 HydrophobicContact CE2-CB 4.08Å; F293-L318 HydrophobicContact CE2-CD2 3.79Å; F293-L318 HydrophobicContact CE2-CG 3.72Å; F293-L318 HydrophobicContact CZ-CD2 4.12Å; F293-L318 HydrophobicContact CZ-CG 4.27Å; A314-L318 VanDerWaalsContact O-CB 3.27Å; A314-L318 WeakPolarHBondContact O-CB 3.5Å; A314-L318 PolarHBondContact O-N 3Å; F316-L318 VanDerWaalsContact C-N 3.34Å; F316-L318 PolarHBondContact O-N 3.1Å; L318-K321 PolarHBondContact O-N 3.28Å; L318-V322 HydrophobicContact CD1-CG2 4.14Å; L318-V322 HydrophobicContact CG-CG2 4.16Å; L318-V322 WeakPolarHBondContact O-CB 3.23Å; L318-V322 WeakPolarHBondContact O-CG2 3.31Å; L318-V322 PolarHBondContact O-N 2.89Å; L318-M347 HydrophobicContact CB-CG 4.05Å; L318-M347 HydrophobicContact CB-SD 4.03Å; L318-M347 PolarHBondContact N-SD 3.1Å; L318-I350 HydrophobicContact CD2-CB 3.94Å; L318-I350 HydrophobicContact CD2-CG2 3.5Å; L318-L389 HydrophobicContact CD1-CD2 4.11Å; L318-I390 HydrophobicContact CD1-CD1 4.16Å; L318-I390 HydrophobicContact CD2-CD1 4.25Å; L318-I390 HydrophobicContact CG-CD1 4.43Å; L318-L393 HydrophobicContact CD1-CD1 3.51Å |
| 319 | T | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 174.9 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | H286 L289 A290 A315 F316 A317 K321 V322 F323 | H286-T319 HydrophobicContact CB-CG2 3.79Å; H286-T319 WeakPolarHBondContact O-CG2 3.49Å; L289-T319 HydrophobicContact CB-CG2 4.28Å; L289-T319 HydrophobicContact CD2-CG2 4.25Å; A290-T319 WeakPolarHBondContact CA-OG1 3.37Å; A290-T319 WeakPolarHBondContact CB-OG1 3.38Å; A290-T319 PolarHBondContact N-OG1 3.3Å; A315-T319 WeakPolarHBondContact O-CB 3.3Å; A315-T319 PolarHBondContact O-N 3.41Å; A315-T319 PolarHBondContact O-OG1 2.96Å; F316-T319 WeakPolarHBondContact O-CA 3.38Å; F316-T319 VanDerWaalsContact O-CB 3.24Å; F316-T319 WeakPolarHBondContact O-CB 3.33Å; F316-T319 PolarHBondContact O-N 3.31Å; A317-T319 VanDerWaalsContact C-N 3.27Å; A317-T319 PolarHBondContact O-N 3.13Å; T319-K321 VanDerWaalsContact C-N 3.33Å; T319-K321 PolarHBondContact O-N 3.25Å; T319-V322 PolarHBondContact O-N 2.94Å; T319-F323 HydrophobicContact CG2-CD2 4.1Å; T319-F323 HydrophobicContact CG2-CE2 4.45Å; T319-F323 PolarHBondContact O-N 2.94Å; T319-F323 VanDerWaalsContact O-N 3.08Å |
| 320 | L | 95.8 | Very high | 95 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -45.9 | 175.6 | -62.9 | 179.1 | 0 | 0 | 0 | 111.3 | V282 F316 A317 N324 C325 L332 | V282-L320 HydrophobicContact CG1-CD2 4.29Å; F316-L320 HydrophobicContact CD1-CD1 4.23Å; F316-L320 HydrophobicContact CD1-CG 4.42Å; F316-L320 HydrophobicContact CE1-CD1 3.95Å; F316-L320 HydrophobicContact CE1-CD2 4.31Å; F316-L320 HydrophobicContact CE1-CG 4.21Å; F316-L320 HydrophobicContact CZ-CD2 4.43Å; F316-L320 PolarHBondContact O-N 3.16Å; A317-L320 PolarHBondContact O-N 3.5Å; L320-N324 VanDerWaalsContact O-CA 3.32Å; L320-N324 WeakPolarHBondContact O-CA 3.28Å; L320-N324 PolarHBondContact O-N 3.23Å; L320-C325 PolarHBondContact O-N 3.39Å; L320-C325 VanDerWaalsContact O-N 3.15Å; L320-L332 HydrophobicContact CD1-CD1 4.13Å |
| 321 | K | 95.8 | Very high | 94.8 | Very high | 71 Ų | 71 | 34.8 Ų | 34.8 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.2 | -34.8 | 177.3 | -66.4 | -169 | -172 | -57.4 | 0 | 113.9 | A317 L318 T319 E340 L389 | A317-K321 PolarHBondContact O-N 3.08Å; A317-K321 VanDerWaalsContact O-N 3.09Å; L318-K321 PolarHBondContact O-N 3.28Å; T319-K321 VanDerWaalsContact C-N 3.33Å; T319-K321 PolarHBondContact O-N 3.25Å; K321-E340 WeakPolarHBondContact CE-OE1 3.3Å; K321-E340 WeakPolarHBondContact CE-OE2 3.28Å; K321-E340 IonicContact NZ-OE1 2.65Å; K321-E340 PolarHBondContact NZ-OE1 3.42Å; K321-E340 IonicContact NZ-OE2 3.13Å; K321-E340 PolarHBondContact NZ-OE2 3.45Å; K321-L389 HydrophobicContact CB-CD1 4.09Å; K321-L389 HydrophobicContact CB-CD2 4.32Å |
| 322 | V | 96 | Very high | 94.6 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.4 | -32.3 | 179.9 | 167.3 | 0 | 0 | 0 | 0 | 112.6 | L289 F293 L318 T319 Q384 L385 L389 I390 | L289-V322 HydrophobicContact CD2-CB 4.2Å; L289-V322 HydrophobicContact CD2-CG1 3.75Å; F293-V322 HydrophobicContact CZ-CG2 4.28Å; L318-V322 HydrophobicContact CD1-CG2 4.14Å; L318-V322 HydrophobicContact CG-CG2 4.16Å; L318-V322 WeakPolarHBondContact O-CB 3.23Å; L318-V322 WeakPolarHBondContact O-CG2 3.31Å; L318-V322 PolarHBondContact O-N 2.89Å; T319-V322 PolarHBondContact O-N 2.94Å; V322-Q384 HydrophobicContact CG1-CB 3.67Å; V322-L385 HydrophobicContact CG1-CD2 4.1Å; V322-L389 HydrophobicContact CG2-CD2 3.95Å; V322-I390 HydrophobicContact CG2-CD1 3.71Å; V322-I390 HydrophobicContact CG2-CG1 4.19Å |
| 323 | F | 94 | Very high | 94.4 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 17% | 0.167 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -93.3 | -10.2 | 173.9 | -80 | -75.8 | 0 | 0 | 0 | 114 | E285 H286 L289 T319 C325 I379 I382 | E285-F323 HydrophobicContact CG-CE1 4.41Å; E285-F323 HydrophobicContact CG-CZ 3.84Å; H286-F323 AromaticContact CD2-CD2 3.5Å; H286-F323 VanDerWaalsContact CD2-CD2 3.5Å; H286-F323 WeakPolarHBondContact CD2-CD2 3.3Å; H286-F323 AromaticContact CD2-CE2 3.73Å; H286-F323 AromaticContact CD2-CG 3.68Å; H286-F323 AromaticContact NE2-CG 3.83Å; L289-F323 HydrophobicContact CB-CE2 3.97Å; L289-F323 HydrophobicContact CD2-CD2 3.88Å; L289-F323 HydrophobicContact CD2-CE2 3.43Å; L289-F323 VanDerWaalsContact CD2-CE2 3.43Å; L289-F323 HydrophobicContact CD2-CZ 4.36Å; L289-F323 HydrophobicContact CG-CE2 4.31Å; T319-F323 HydrophobicContact CG2-CD2 4.1Å; T319-F323 HydrophobicContact CG2-CE2 4.45Å; T319-F323 PolarHBondContact O-N 2.94Å; T319-F323 VanDerWaalsContact O-N 3.08Å; F323-C325 HydrophobicContact CB-CB 3.98Å; F323-C325 VanDerWaalsContact CB-SG 3.54Å; F323-C325 PolarHBondContact O-N 3.38Å; F323-I379 HydrophobicContact CZ-CD1 4.21Å; F323-I382 HydrophobicContact CE1-CD1 4.38Å; F323-I382 HydrophobicContact CE2-CD1 4.42Å; F323-I382 HydrophobicContact CZ-CD1 3.84Å |
| 324 | N | 91.2 | Very high | 94.1 | Very high | 151 Ų | 151 | 41.8 Ų | 41.8 | 81% | 0.807 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 44.2 | -171.1 | -164.5 | 82.9 | 0 | 0 | 0 | 112 | L320 | L320-N324 VanDerWaalsContact O-CA 3.32Å; L320-N324 WeakPolarHBondContact O-CA 3.28Å; L320-N324 PolarHBondContact O-N 3.23Å |
| 325 | C | 86.2 | Confident | 93.8 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 38% | 0.378 | 24% | 0.236 | S | C | . | . | trans | -112.1 | 12.9 | -168.7 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | H286 L320 F323 | H286-C325 PolarHBondContact CE1-SG 2.76Å; L320-C325 PolarHBondContact O-N 3.39Å; L320-C325 VanDerWaalsContact O-N 3.15Å; F323-C325 HydrophobicContact CB-CB 3.98Å; F323-C325 VanDerWaalsContact CB-SG 3.54Å; F323-C325 PolarHBondContact O-N 3.38Å | ||
| 326 | G | 85.2 | Confident | 93.7 | Very high | 42 Ų | 42 | 43.2 Ų | 43.2 | 43% | 0.433 | 24% | 0.236 | S | C | . | . | trans | 159.5 | 172.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 327 | E | 89.6 | Confident | 93.5 | Very high | 171 Ų | 171 | 48.1 Ų | 48.1 | 80% | 0.799 | 26% | 0.263 | S | S | * | . | trans | -111.6 | 167.1 | 173 | -63.8 | -174.7 | 156.4 | 0 | 0 | 110.5 | S329 | E327-S329 VanDerWaalsContact C-N 3.33Å; E327-S329 PolarHBondContact O-N 3.32Å | ||
| 328 | W | 94.7 | Very high | 93.4 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 9% | 0.087 | 27% | 0.271 | C | S | . | . | trans | -73.6 | 86.6 | 174.2 | -173.7 | -96.4 | 0 | 0 | 0 | 110.6 | F316 A317 L332 M336 Y338 E340 L343 | F316-W328 HydrophobicContact CD1-CZ3 4.11Å; A317-W328 HydrophobicContact CB-CE3 3.8Å; A317-W328 HydrophobicContact CB-CZ3 4.13Å; W328-L332 HydrophobicContact CD2-CB 4Å; W328-L332 HydrophobicContact CD2-CD1 4.49Å; W328-L332 HydrophobicContact CE3-CB 4.15Å; W328-L332 HydrophobicContact CE3-CD1 4.08Å; W328-L332 HydrophobicContact CH2-CB 4.25Å; W328-L332 HydrophobicContact CZ2-CB 4.09Å; W328-L332 HydrophobicContact CZ3-CB 4.28Å; W328-L332 HydrophobicContact CZ3-CD1 4.47Å; W328-M336 HydrophobicContact CH2-CB 3.95Å; W328-M336 HydrophobicContact CH2-CG 3.92Å; W328-M336 HydrophobicContact CZ2-CB 3.91Å; W328-M336 HydrophobicContact CZ2-CG 4.25Å; W328-Y338 PolarHBondContact NE1-O 3.06Å; W328-E340 HydrophobicContact CB-CB 3.95Å; W328-E340 HydrophobicContact CB-CG 4.2Å; W328-E340 HydrophobicContact CG-CB 4.08Å; W328-L343 HydrophobicContact CD2-CD1 4.18Å; W328-L343 HydrophobicContact CE3-CD1 4.12Å; W328-L343 HydrophobicContact CH2-CD1 3.73Å; W328-L343 HydrophobicContact CZ2-CD1 3.78Å; W328-L343 HydrophobicContact CZ3-CD1 3.89Å | ||
| 329 | S | 93.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | trans | -64.9 | 158 | -173.9 | 69.9 | 0 | 0 | 0 | 0 | 113.9 | E327 T331 L332 Q333 | E327-S329 VanDerWaalsContact C-N 3.33Å; E327-S329 PolarHBondContact O-N 3.32Å; S329-T331 PolarHBondContact O-N 2.68Å; S329-T331 VanDerWaalsContact O-N 3.14Å; S329-L332 WeakPolarHBondContact O-CA 3.34Å; S329-L332 WeakPolarHBondContact O-CB 3.43Å; S329-L332 PolarHBondContact O-N 2.97Å; S329-L332 PolarHBondContact OG-N 2.94Å; S329-Q333 PolarHBondContact O-N 2.78Å | ||
| 330 | S | 92.6 | Very high | 93.2 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.8 | -32.3 | 174 | -45.5 | 0 | 0 | 0 | 0 | 112.8 | Q333 H334 | S330-Q333 PolarHBondContact O-N 2.93Å; S330-H334 WeakPolarHBondContact O-CB 3.25Å; S330-H334 PolarHBondContact O-N 2.94Å |
| 331 | T | 92.8 | Very high | 93.1 | Very high | 30 Ų | 30 | 61.4 Ų | 61.4 | 18% | 0.184 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67 | -42.1 | 174.5 | -42.7 | 0 | 0 | 0 | 0 | 111.8 | I120 V123 I279 S329 Y335 | I120-T331 HydrophobicContact CG2-CG2 4.35Å; V123-T331 HydrophobicContact CG1-CG2 4.04Å; I279-T331 HydrophobicContact CG2-CG2 3.82Å; S329-T331 PolarHBondContact O-N 2.68Å; S329-T331 VanDerWaalsContact O-N 3.14Å; T331-Y335 HydrophobicContact CG2-CD2 3.93Å; T331-Y335 HydrophobicContact CG2-CE2 3.98Å; T331-Y335 WeakPolarHBondContact O-CD2 3.24Å; T331-Y335 PolarHBondContact O-N 3.03Å; T331-Y335 VanDerWaalsContact O-N 3.13Å |
| 332 | L | 94.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 172.4 | -75.3 | 164.7 | 0 | 0 | 0 | 110.8 | I279 F316 L320 W328 S329 M336 | I279-L332 HydrophobicContact CB-CD2 3.85Å; I279-L332 HydrophobicContact CG2-CD2 3.62Å; I279-L332 HydrophobicContact CG2-CG 3.9Å; F316-L332 HydrophobicContact CD1-CD2 4.23Å; F316-L332 HydrophobicContact CE1-CD1 3.91Å; F316-L332 HydrophobicContact CE1-CD2 3.73Å; L320-L332 HydrophobicContact CD1-CD1 4.13Å; W328-L332 HydrophobicContact CD2-CB 4Å; W328-L332 HydrophobicContact CD2-CD1 4.49Å; W328-L332 HydrophobicContact CE3-CB 4.15Å; W328-L332 HydrophobicContact CE3-CD1 4.08Å; W328-L332 HydrophobicContact CH2-CB 4.25Å; W328-L332 HydrophobicContact CZ2-CB 4.09Å; W328-L332 HydrophobicContact CZ3-CB 4.28Å; W328-L332 HydrophobicContact CZ3-CD1 4.47Å; S329-L332 WeakPolarHBondContact O-CA 3.34Å; S329-L332 WeakPolarHBondContact O-CB 3.43Å; S329-L332 PolarHBondContact O-N 2.97Å; S329-L332 PolarHBondContact OG-N 2.94Å; L332-M336 WeakPolarHBondContact O-CB 3.46Å; L332-M336 VanDerWaalsContact O-CG 3.23Å; L332-M336 WeakPolarHBondContact O-CG 3.46Å; L332-M336 PolarHBondContact O-N 2.69Å |
| 333 | Q | 94.8 | Very high | 93.2 | Very high | 85 Ų | 85 | 59.5 Ų | 59.5 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 177.2 | 177.7 | 166.1 | -50.7 | 0 | 0 | 112.6 | S329 S330 N337 Y338 | S329-Q333 PolarHBondContact O-N 2.78Å; S330-Q333 PolarHBondContact O-N 2.93Å; Q333-N337 WeakPolarHBondContact O-CA 3.31Å; Q333-N337 PolarHBondContact O-N 3.03Å; Q333-Y338 WeakPolarHBondContact CA-O 3.23Å; Q333-Y338 WeakPolarHBondContact CG-O 3.37Å |
| 334 | H | 92.3 | Very high | 93.3 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 179.1 | 171.6 | 99.7 | 0 | 0 | 0 | 112.2 | D115 I120 S330 N337 | D115-H334 IonicContact OD1-CE1 2.68Å; D115-H334 PolarHBondContact OD1-CE1 2.72Å; D115-H334 VanDerWaalsContact OD1-CE1 3.31Å; D115-H334 IonicContact OD1-ND1 3.81Å; D115-H334 PolarHBondContact OD1-ND1 3.22Å; D115-H334 VanDerWaalsContact OD1-ND1 3.16Å; D115-H334 IonicContact OD2-CE1 3.7Å; I120-H334 HydrophobicContact CD1-CB 3.91Å; S330-H334 WeakPolarHBondContact O-CB 3.25Å; S330-H334 PolarHBondContact O-N 2.94Å; H334-N337 PolarHBondContact O-OD1 2.95Å |
| 335 | Y | 92.7 | Very high | 93.6 | Very high | 28 Ų | 28 | 57 Ų | 57 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -81.1 | -22.7 | -176.2 | -79.2 | -69.1 | 0 | 0 | 0 | 114.8 | I120 D122 V123 I279 T331 | I120-Y335 HydrophobicContact CG2-CE2 4.22Å; D122-Y335 WeakPolarHBondContact CA-OH 3.4Å; D122-Y335 PolarHBondContact OD1-OH 3.4Å; D122-Y335 VanDerWaalsContact OD1-OH 3.05Å; V123-Y335 HydrophobicContact CB-CE2 4.37Å; V123-Y335 HydrophobicContact CG1-CD2 4.38Å; V123-Y335 HydrophobicContact CG1-CE2 3.86Å; V123-Y335 HydrophobicContact CG2-CD2 4.26Å; V123-Y335 HydrophobicContact CG2-CE1 4.29Å; V123-Y335 HydrophobicContact CG2-CE2 3.78Å; V123-Y335 PolarHBondContact N-OH 2.98Å; I279-Y335 VanDerWaalsContact CD1-CB 3.42Å; I279-Y335 HydrophobicContact CD1-CD2 4.29Å; I279-Y335 HydrophobicContact CD1-CG 4.05Å; I279-Y335 HydrophobicContact CG1-CD2 4.27Å; I279-Y335 HydrophobicContact CG1-CG 4.44Å; T331-Y335 HydrophobicContact CG2-CD2 3.93Å; T331-Y335 HydrophobicContact CG2-CE2 3.98Å; T331-Y335 WeakPolarHBondContact O-CD2 3.24Å; T331-Y335 PolarHBondContact O-N 3.03Å; T331-Y335 VanDerWaalsContact O-N 3.13Å |
| 336 | M | 94.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -99.2 | -12.2 | -179.4 | -56.6 | -58.6 | -59.4 | 0 | 0 | 113.3 | F272 R275 A276 I279 S313 W328 L332 Y338 | F272-M336 HydrophobicContact CB-CE 4.14Å; R275-M336 HydrophobicContact CB-SD 4.34Å; R275-M336 HydrophobicContact CG-SD 4.07Å; A276-M336 HydrophobicContact CB-CE 4.01Å; A276-M336 HydrophobicContact CB-SD 3.95Å; I279-M336 HydrophobicContact CD1-CG 4.4Å; I279-M336 HydrophobicContact CD1-SD 3.97Å; S313-M336 VanDerWaalsContact OG-CE 3.25Å; S313-M336 WeakPolarHBondContact OG-CE 3.48Å; W328-M336 HydrophobicContact CH2-CB 3.95Å; W328-M336 HydrophobicContact CH2-CG 3.92Å; W328-M336 HydrophobicContact CZ2-CB 3.91Å; W328-M336 HydrophobicContact CZ2-CG 4.25Å; L332-M336 WeakPolarHBondContact O-CB 3.46Å; L332-M336 VanDerWaalsContact O-CG 3.23Å; L332-M336 WeakPolarHBondContact O-CG 3.46Å; L332-M336 PolarHBondContact O-N 2.69Å; M336-Y338 VanDerWaalsContact C-N 3.31Å; M336-Y338 WeakPolarHBondContact O-CD2 3.41Å; M336-Y338 WeakPolarHBondContact O-CE2 3.22Å; M336-Y338 PolarHBondContact O-N 3.28Å |
| 337 | N | 94.1 | Very high | 94.7 | Very high | 104 Ų | 104 | 52.4 Ų | 52.4 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 29.5 | -177.2 | -65.4 | -27.9 | 0 | 0 | 0 | 115.1 | Q146 Q333 H334 | Q146-N337 PolarHBondContact NE2-ND2 3.34Å; Q146-N337 VanDerWaalsContact NE2-ND2 3.13Å; Q146-N337 PolarHBondContact OE1-ND2 3.48Å; Q333-N337 WeakPolarHBondContact O-CA 3.31Å; Q333-N337 PolarHBondContact O-N 3.03Å; H334-N337 PolarHBondContact O-OD1 2.95Å |
| 338 | Y | 96.3 | Very high | 95.1 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | trans | -131.6 | 137.1 | 177.6 | -69.4 | -69.4 | 0 | 0 | 0 | 111.9 | S309 Q310 W328 Q333 M336 L343 | S309-Y338 PolarHBondContact OG-OH 2.91Å; S309-Y338 VanDerWaalsContact OG-OH 3.09Å; Q310-Y338 HydrophobicContact CB-CE1 4.02Å; Q310-Y338 HydrophobicContact CB-CE2 4.07Å; Q310-Y338 HydrophobicContact CG-CD1 4.25Å; Q310-Y338 HydrophobicContact CG-CE1 3.79Å; Q310-Y338 HydrophobicContact CG-CE2 4.48Å; W328-Y338 PolarHBondContact NE1-O 3.06Å; Q333-Y338 WeakPolarHBondContact CA-O 3.23Å; Q333-Y338 WeakPolarHBondContact CG-O 3.37Å; M336-Y338 VanDerWaalsContact C-N 3.31Å; M336-Y338 WeakPolarHBondContact O-CD2 3.41Å; M336-Y338 WeakPolarHBondContact O-CE2 3.22Å; M336-Y338 PolarHBondContact O-N 3.28Å; Y338-L343 HydrophobicContact CD1-CD2 4.11Å; Y338-L343 HydrophobicContact CD2-CD2 4.22Å; Y338-L343 HydrophobicContact CG-CD2 3.76Å | ||
| 339 | T | 96.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 44.9 Ų | 44.9 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | trans | -80.7 | 157 | 163.3 | 63.1 | 0 | 0 | 0 | 0 | 109.7 | D341 S342 L343 | T339-D341 VanDerWaalsContact C-N 3.28Å; T339-D341 PolarHBondContact O-N 3.36Å; T339-S342 PolarHBondContact N-OG 3.09Å; T339-S342 VanDerWaalsContact N-OG 3.17Å; T339-S342 PolarHBondContact O-N 3.13Å; T339-S342 VanDerWaalsContact O-N 3.15Å; T339-S342 PolarHBondContact O-OG 3.23Å; T339-S342 WeakPolarHBondContact OG1-CB 3.42Å; T339-S342 PolarHBondContact OG1-N 3.48Å; T339-S342 PolarHBondContact OG1-OG 2.83Å; T339-L343 PolarHBondContact O-N 3.48Å | ||
| 340 | E | 94.3 | Very high | 95.5 | Very high | 53 Ų | 53 | 42.5 Ų | 42.5 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -39.8 | 178.2 | -169.6 | 168.3 | -115.8 | 0 | 0 | 112.2 | K321 W328 S342 L343 V344 M347 | K321-E340 WeakPolarHBondContact CE-OE1 3.3Å; K321-E340 WeakPolarHBondContact CE-OE2 3.28Å; K321-E340 IonicContact NZ-OE1 2.65Å; K321-E340 PolarHBondContact NZ-OE1 3.42Å; K321-E340 IonicContact NZ-OE2 3.13Å; K321-E340 PolarHBondContact NZ-OE2 3.45Å; W328-E340 HydrophobicContact CB-CB 3.95Å; W328-E340 HydrophobicContact CB-CG 4.2Å; W328-E340 HydrophobicContact CG-CB 4.08Å; E340-S342 VanDerWaalsContact C-N 3.29Å; E340-S342 PolarHBondContact O-N 3.4Å; E340-L343 WeakPolarHBondContact O-CA 3.44Å; E340-L343 WeakPolarHBondContact O-CB 3.4Å; E340-L343 PolarHBondContact O-N 3.08Å; E340-V344 PolarHBondContact O-N 3.21Å; E340-M347 HydrophobicContact CG-CE 4.11Å |
| 341 | D | 95.3 | Very high | 95.7 | Very high | 134 Ų | 134 | 39.1 Ų | 39.1 | 72% | 0.717 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -55.8 | -42.2 | 175.8 | -59.6 | -48.5 | 0 | 0 | 0 | 112.4 | T339 L343 V344 | T339-D341 VanDerWaalsContact C-N 3.28Å; T339-D341 PolarHBondContact O-N 3.36Å; D341-L343 PolarHBondContact O-N 3.27Å; D341-V344 WeakPolarHBondContact O-CB 3.24Å; D341-V344 PolarHBondContact O-N 2.87Å; D341-V344 VanDerWaalsContact O-N 3.14Å |
| 342 | S | 96 | Very high | 95.9 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 30% | 0.301 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.1 | -14.1 | 177.9 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | Q310 T339 E340 | Q310-S342 PolarHBondContact NE2-O 3.13Å; T339-S342 PolarHBondContact N-OG 3.09Å; T339-S342 VanDerWaalsContact N-OG 3.17Å; T339-S342 PolarHBondContact O-N 3.13Å; T339-S342 VanDerWaalsContact O-N 3.15Å; T339-S342 PolarHBondContact O-OG 3.23Å; T339-S342 WeakPolarHBondContact OG1-CB 3.42Å; T339-S342 PolarHBondContact OG1-N 3.48Å; T339-S342 PolarHBondContact OG1-OG 2.83Å; E340-S342 VanDerWaalsContact C-N 3.29Å; E340-S342 PolarHBondContact O-N 3.4Å |
| 343 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -97 | -17.8 | 175.9 | -58.2 | 177.1 | 0 | 0 | 0 | 112.8 | Q310 A314 A317 W328 Y338 T339 E340 D341 H345 A346 M347 | Q310-L343 HydrophobicContact CG-CD2 3.85Å; A314-L343 HydrophobicContact CB-CB 4.18Å; A314-L343 HydrophobicContact CB-CD2 4.27Å; A317-L343 HydrophobicContact CB-CD1 4.07Å; W328-L343 HydrophobicContact CD2-CD1 4.18Å; W328-L343 HydrophobicContact CE3-CD1 4.12Å; W328-L343 HydrophobicContact CH2-CD1 3.73Å; W328-L343 HydrophobicContact CZ2-CD1 3.78Å; W328-L343 HydrophobicContact CZ3-CD1 3.89Å; Y338-L343 HydrophobicContact CD1-CD2 4.11Å; Y338-L343 HydrophobicContact CD2-CD2 4.22Å; Y338-L343 HydrophobicContact CG-CD2 3.76Å; T339-L343 PolarHBondContact O-N 3.48Å; E340-L343 WeakPolarHBondContact O-CA 3.44Å; E340-L343 WeakPolarHBondContact O-CB 3.4Å; E340-L343 PolarHBondContact O-N 3.08Å; D341-L343 PolarHBondContact O-N 3.27Å; L343-H345 VanDerWaalsContact C-N 3.34Å; L343-H345 PolarHBondContact O-N 2.73Å; L343-A346 PolarHBondContact O-N 3.06Å; L343-A346 VanDerWaalsContact O-N 3.12Å; L343-M347 HydrophobicContact CB-CE 4.23Å; L343-M347 WeakPolarHBondContact O-CG 3.4Å; L343-M347 PolarHBondContact O-N 3.36Å |
| 344 | V | 96.3 | Very high | 96.2 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 27% | 0.273 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -52.7 | -48.6 | -175 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | E340 D341 A346 M347 Q348 | E340-V344 PolarHBondContact O-N 3.21Å; D341-V344 WeakPolarHBondContact O-CB 3.24Å; D341-V344 PolarHBondContact O-N 2.87Å; D341-V344 VanDerWaalsContact O-N 3.14Å; V344-A346 PolarHBondContact O-N 2.56Å; V344-M347 HydrophobicContact CG2-CE 4.04Å; V344-M347 CarbonylContact O-C 3.49Å; V344-M347 WeakPolarHBondContact O-CB 3.32Å; V344-M347 PolarHBondContact O-N 3Å; V344-M347 VanDerWaalsContact O-N 3.11Å; V344-Q348 HydrophobicContact CG1-CG 4.22Å; V344-Q348 VanDerWaalsContact O-CG 3.28Å; V344-Q348 WeakPolarHBondContact O-CG 3.33Å; V344-Q348 PolarHBondContact O-N 2.86Å |
| 345 | H | 96.6 | Very high | 96.4 | Very high | 91 Ų | 91 | 33 Ų | 33 | 42% | 0.421 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.1 | -43.6 | -179 | -171.3 | 48.1 | 0 | 0 | 0 | 112.5 | F306 L343 M347 Q348 H349 | F306-H345 AromaticContact CZ-CD2 3.7Å; L343-H345 VanDerWaalsContact C-N 3.34Å; L343-H345 PolarHBondContact O-N 2.73Å; H345-M347 PolarHBondContact O-N 3.31Å; H345-Q348 PolarHBondContact O-N 2.95Å; H345-H349 AromaticContact CE1-CD2 3.78Å; H345-H349 AromaticContact CE1-NE2 3.52Å; H345-H349 AromaticContact NE2-NE2 3.68Å; H345-H349 PolarHBondContact O-CD2 2.73Å; H345-H349 PolarHBondContact O-N 3.04Å; H345-H349 VanDerWaalsContact O-N 3.07Å |
| 346 | A | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -35.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M303 A314 L343 V344 H349 I350 | M303-A346 HydrophobicContact CE-CB 4.41Å; A314-A346 HydrophobicContact CB-CB 3.51Å; L343-A346 PolarHBondContact O-N 3.06Å; L343-A346 VanDerWaalsContact O-N 3.12Å; V344-A346 PolarHBondContact O-N 2.56Å; A346-H349 PolarHBondContact O-N 3.48Å; A346-I350 VanDerWaalsContact O-CG1 3.29Å; A346-I350 WeakPolarHBondContact O-CG1 3.5Å; A346-I350 PolarHBondContact O-N 3.13Å |
| 347 | M | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 172.6 | -69.9 | -166.1 | -77.7 | 0 | 0 | 112.2 | A314 A317 L318 E340 L343 V344 H345 I350 A351 | A314-M347 HydrophobicContact CB-CG 3.93Å; A314-M347 WeakPolarHBondContact O-CG 3.44Å; A317-M347 HydrophobicContact CB-CE 4.39Å; A317-M347 HydrophobicContact CB-SD 3.68Å; L318-M347 HydrophobicContact CB-CG 4.05Å; L318-M347 HydrophobicContact CB-SD 4.03Å; L318-M347 PolarHBondContact N-SD 3.1Å; E340-M347 HydrophobicContact CG-CE 4.11Å; L343-M347 HydrophobicContact CB-CE 4.23Å; L343-M347 WeakPolarHBondContact O-CG 3.4Å; L343-M347 PolarHBondContact O-N 3.36Å; V344-M347 HydrophobicContact CG2-CE 4.04Å; V344-M347 CarbonylContact O-C 3.49Å; V344-M347 WeakPolarHBondContact O-CB 3.32Å; V344-M347 PolarHBondContact O-N 3Å; V344-M347 VanDerWaalsContact O-N 3.11Å; H345-M347 PolarHBondContact O-N 3.31Å; M347-I350 PolarHBondContact O-N 3.17Å; M347-A351 WeakPolarHBondContact O-CB 3.4Å; M347-A351 PolarHBondContact O-N 3.5Å |
| 348 | Q | 97.7 | Very high | 96.6 | Very high | 24 Ų | 24 | 31.6 Ų | 31.6 | 11% | 0.112 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.4 | -67.6 | 168 | -23.2 | 0 | 0 | 111.4 | V344 H345 I350 A351 K352 L393 Q396 L397 | V344-Q348 HydrophobicContact CG1-CG 4.22Å; V344-Q348 VanDerWaalsContact O-CG 3.28Å; V344-Q348 WeakPolarHBondContact O-CG 3.33Å; V344-Q348 PolarHBondContact O-N 2.86Å; H345-Q348 PolarHBondContact O-N 2.95Å; Q348-I350 PolarHBondContact O-N 3.49Å; Q348-A351 PolarHBondContact O-N 3.23Å; Q348-K352 WeakPolarHBondContact O-CB 3.49Å; Q348-K352 PolarHBondContact O-N 3.32Å; Q348-L393 WeakPolarHBondContact CB-O 3.15Å; Q348-L393 HydrophobicContact CG-CD2 4.26Å; Q348-L393 WeakPolarHBondContact CG-O 3.35Å; Q348-Q396 HydrophobicContact CG-CB 4.47Å; Q348-Q396 VanDerWaalsContact NE2-CB 3.34Å; Q348-L397 HydrophobicContact CB-CB 4.3Å; Q348-L397 HydrophobicContact CB-CD1 3.75Å |
| 349 | H | 97.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 34 Ų | 34 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | 172.6 | -87.9 | -94.7 | 0 | 0 | 0 | 112.5 | D300 E302 M303 H345 A346 K352 N353 L397 | D300-H349 IonicContact OD2-ND1 3.97Å; E302-H349 IonicContact OE2-CE1 3.17Å; E302-H349 PolarHBondContact OE2-CE1 3.42Å; E302-H349 VanDerWaalsContact OE2-CE1 3.23Å; E302-H349 IonicContact OE2-ND1 2.74Å; M303-H349 HydrophobicContact CE-CB 3.82Å; M303-H349 HydrophobicContact CG-CB 3.81Å; M303-H349 HydrophobicContact SD-CB 3.62Å; H345-H349 AromaticContact CE1-CD2 3.78Å; H345-H349 AromaticContact CE1-NE2 3.52Å; H345-H349 AromaticContact NE2-NE2 3.68Å; H345-H349 PolarHBondContact O-CD2 2.73Å; H345-H349 PolarHBondContact O-N 3.04Å; H345-H349 VanDerWaalsContact O-N 3.07Å; A346-H349 PolarHBondContact O-N 3.48Å; H349-K352 PolarHBondContact ND1-NZ 3.4Å; H349-K352 WeakPolarHBondContact O-CB 3.16Å; H349-K352 PolarHBondContact O-N 3.19Å; H349-N353 VanDerWaalsContact O-CG 3.31Å; H349-N353 PolarHBondContact O-N 3.35Å; H349-N353 VanDerWaalsContact O-N 3.09Å; H349-N353 PolarHBondContact O-ND2 3.29Å; H349-L397 VanDerWaalsContact CD2-CD1 3.49Å; H349-L397 WeakPolarHBondContact CD2-CD1 3.46Å |
| 350 | I | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 175.8 | -66.4 | 164.2 | 0 | 0 | 0 | 110.4 | F293 T297 M303 A314 A315 L318 A346 M347 Q348 K352 N353 V354 | F293-I350 HydrophobicContact CB-CG2 3.68Å; F293-I350 HydrophobicContact CD1-CG2 3.92Å; F293-I350 HydrophobicContact CD2-CG2 4.21Å; F293-I350 HydrophobicContact CG-CG2 3.68Å; T297-I350 HydrophobicContact CG2-CD1 4.35Å; T297-I350 HydrophobicContact CG2-CG1 3.78Å; M303-I350 HydrophobicContact CE-CG1 4.01Å; M303-I350 HydrophobicContact SD-CG1 4.29Å; A314-I350 HydrophobicContact CB-CD1 4.12Å; A315-I350 HydrophobicContact CB-CD1 4.04Å; L318-I350 HydrophobicContact CD2-CB 3.94Å; L318-I350 HydrophobicContact CD2-CG2 3.5Å; A346-I350 VanDerWaalsContact O-CG1 3.29Å; A346-I350 WeakPolarHBondContact O-CG1 3.5Å; A346-I350 PolarHBondContact O-N 3.13Å; M347-I350 PolarHBondContact O-N 3.17Å; Q348-I350 PolarHBondContact O-N 3.49Å; I350-K352 PolarHBondContact O-N 3.2Å; I350-N353 PolarHBondContact O-N 3.17Å; I350-V354 HydrophobicContact CG2-CG2 4.46Å; I350-V354 WeakPolarHBondContact O-CG2 3.35Å; I350-V354 PolarHBondContact O-N 2.65Å |
| 351 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M347 Q348 N353 V354 L355 I390 L393 A394 | M347-A351 WeakPolarHBondContact O-CB 3.4Å; M347-A351 PolarHBondContact O-N 3.5Å; Q348-A351 PolarHBondContact O-N 3.23Å; A351-N353 VanDerWaalsContact C-N 3.29Å; A351-N353 PolarHBondContact O-N 3.38Å; A351-V354 PolarHBondContact O-N 3.35Å; A351-L355 PolarHBondContact O-N 2.7Å; A351-I390 HydrophobicContact CB-CD1 4.39Å; A351-I390 HydrophobicContact CB-CG2 4.41Å; A351-L393 HydrophobicContact CB-CB 3.74Å; A351-A394 HydrophobicContact CB-CB 4.3Å |
| 352 | K | 96.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 8% | 0.078 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.1 | -46 | 169.4 | 172 | -159.6 | 67.9 | 171.8 | 0 | 111.3 | D300 E302 Q348 H349 I350 L355 K356 A394 L397 | D300-K352 IonicContact OD1-NZ 2.76Å; D300-K352 VanDerWaalsContact OD2-CE 3.27Å; D300-K352 WeakPolarHBondContact OD2-CE 3.26Å; D300-K352 IonicContact OD2-NZ 3.16Å; D300-K352 PolarHBondContact OD2-NZ 3.47Å; E302-K352 IonicContact OE1-NZ 2.7Å; E302-K352 PolarHBondContact OE1-NZ 3.34Å; E302-K352 IonicContact OE2-NZ 3.65Å; E302-K352 PolarHBondContact OE2-NZ 2.88Å; Q348-K352 WeakPolarHBondContact O-CB 3.49Å; Q348-K352 PolarHBondContact O-N 3.32Å; H349-K352 PolarHBondContact ND1-NZ 3.4Å; H349-K352 WeakPolarHBondContact O-CB 3.16Å; H349-K352 PolarHBondContact O-N 3.19Å; I350-K352 PolarHBondContact O-N 3.2Å; K352-L355 PolarHBondContact O-N 2.9Å; K352-K356 HydrophobicContact CG-CD 4.25Å; K352-K356 WeakPolarHBondContact O-CG 3.45Å; K352-K356 PolarHBondContact O-N 2.95Å; K352-A394 HydrophobicContact CB-CB 4.41Å; K352-L397 HydrophobicContact CB-CD2 4.49Å; K352-L397 HydrophobicContact CD-CD2 3.77Å |
| 353 | N | 97.3 | Very high | 96 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 9% | 0.086 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.8 | -36.3 | -179.1 | -67.4 | -36.8 | 0 | 0 | 0 | 112.4 | L296 D300 H349 I350 A351 K356 V357 | L296-N353 HydrophobicContact CB-CB 4.45Å; D300-N353 VanDerWaalsContact CB-ND2 3.3Å; D300-N353 WeakPolarHBondContact CB-ND2 3.32Å; D300-N353 PolarHBondContact OD2-ND2 2.97Å; D300-N353 PolarHBondContact OD2-OD1 3.33Å; H349-N353 VanDerWaalsContact O-CG 3.31Å; H349-N353 PolarHBondContact O-N 3.35Å; H349-N353 VanDerWaalsContact O-N 3.09Å; H349-N353 PolarHBondContact O-ND2 3.29Å; I350-N353 PolarHBondContact O-N 3.17Å; A351-N353 VanDerWaalsContact C-N 3.29Å; A351-N353 PolarHBondContact O-N 3.38Å; N353-K356 PolarHBondContact O-N 2.86Å; N353-V357 WeakPolarHBondContact O-CG2 3.44Å; N353-V357 PolarHBondContact O-N 2.68Å |
| 354 | V | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 170.5 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | F293 L296 I350 A351 V357 N358 L385 I390 | F293-V354 HydrophobicContact CD1-CG2 3.78Å; F293-V354 HydrophobicContact CE1-CG2 3.52Å; L296-V354 HydrophobicContact CD1-CG2 3.76Å; I350-V354 HydrophobicContact CG2-CG2 4.46Å; I350-V354 WeakPolarHBondContact O-CG2 3.35Å; I350-V354 PolarHBondContact O-N 2.65Å; A351-V354 PolarHBondContact O-N 3.35Å; V354-V357 VanDerWaalsContact O-CG2 3.31Å; V354-V357 WeakPolarHBondContact O-CG2 3.4Å; V354-N358 VanDerWaalsContact O-CB 3.23Å; V354-N358 WeakPolarHBondContact O-CB 3.19Å; V354-N358 PolarHBondContact O-N 2.77Å; V354-L385 HydrophobicContact CG1-CB 4.15Å; V354-L385 HydrophobicContact CG1-CD2 4.18Å; V354-I390 HydrophobicContact CB-CG2 4.14Å; V354-I390 HydrophobicContact CG1-CG2 3.87Å |
| 355 | L | 95.7 | Very high | 95.9 | Very high | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 174 | -72.9 | -163.5 | 0 | 0 | 0 | 111.9 | A351 K352 V357 N358 E359 I390 K391 A394 | A351-L355 PolarHBondContact O-N 2.7Å; K352-L355 PolarHBondContact O-N 2.9Å; L355-V357 PolarHBondContact O-N 3.27Å; L355-N358 PolarHBondContact O-N 3.2Å; L355-E359 PolarHBondContact O-N 2.92Å; L355-I390 HydrophobicContact CD2-CG2 3.77Å; L355-I390 HydrophobicContact CG-CG2 4.17Å; L355-K391 HydrophobicContact CD1-CG 4.36Å; L355-K391 HydrophobicContact CD2-CG 3.72Å; L355-A394 HydrophobicContact CD1-CB 3.44Å; L355-A394 VanDerWaalsContact CD1-CB 3.44Å; L355-A394 HydrophobicContact CG-CB 3.9Å |
| 356 | K | 94.9 | Very high | 96 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 27% | 0.27 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.7 | -40.6 | -177.1 | -76.9 | 175.2 | 179.9 | 178.9 | 0 | 112.2 | E302 K352 N353 G360 Q361 T362 | E302-K356 IonicContact OE1-NZ 3.51Å; K352-K356 HydrophobicContact CG-CD 4.25Å; K352-K356 WeakPolarHBondContact O-CG 3.45Å; K352-K356 PolarHBondContact O-N 2.95Å; N353-K356 PolarHBondContact O-N 2.86Å; K356-G360 PolarHBondContact O-N 3.12Å; K356-Q361 HydrophobicContact CB-CB 4.47Å; K356-Q361 HydrophobicContact CG-CB 4.39Å; K356-Q361 PolarHBondContact O-N 3.44Å; K356-T362 HydrophobicContact CB-CG2 4.23Å; K356-T362 PolarHBondContact O-N 2.68Å |
| 357 | V | 96.3 | Very high | 96 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -83.1 | -18.8 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 114.2 | Y292 L296 N353 V354 L355 T362 M365 K368 | Y292-V357 WeakPolarHBondContact OH-CG2 3.13Å; L296-V357 HydrophobicContact CD2-CG1 4.15Å; L296-V357 HydrophobicContact CD2-CG2 4.33Å; N353-V357 WeakPolarHBondContact O-CG2 3.44Å; N353-V357 PolarHBondContact O-N 2.68Å; V354-V357 VanDerWaalsContact O-CG2 3.31Å; V354-V357 WeakPolarHBondContact O-CG2 3.4Å; L355-V357 PolarHBondContact O-N 3.27Å; V357-T362 HydrophobicContact CB-CG2 4.41Å; V357-T362 HydrophobicContact CG1-CG2 3.61Å; V357-M365 HydrophobicContact CB-SD 4.04Å; V357-M365 HydrophobicContact CG1-SD 4.23Å; V357-K368 HydrophobicContact CB-CB 4.29Å; V357-K368 HydrophobicContact CB-CD 3.82Å; V357-K368 HydrophobicContact CG2-CB 4.4Å; V357-K368 HydrophobicContact CG2-CD 3.87Å; V357-K368 VanDerWaalsContact O-CD 3.3Å; V357-K368 WeakPolarHBondContact O-CD 3.46Å; V357-K368 PolarHBondContact O-NZ 2.84Å |
| 358 | N | 95 | Very high | 96 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -87.7 | -34.3 | 178.1 | -80.5 | -10.2 | 0 | 0 | 0 | 113.9 | V354 L355 K368 L385 | V354-N358 VanDerWaalsContact O-CB 3.23Å; V354-N358 WeakPolarHBondContact O-CB 3.19Å; V354-N358 PolarHBondContact O-N 2.77Å; L355-N358 PolarHBondContact O-N 3.2Å; N358-K368 PolarHBondContact OD1-NZ 3.45Å; N358-L385 PolarHBondContact ND2-O 2.97Å |
| 359 | E | 94.1 | Very high | 96 | Very high | 93 Ų | 93 | 42.8 Ų | 42.8 | 44% | 0.435 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 7.2 | -178.4 | -57.8 | -170.8 | 157 | 0 | 0 | 112.5 | L355 Q361 K391 | L355-E359 PolarHBondContact O-N 2.92Å; E359-Q361 VanDerWaalsContact C-N 3.31Å; E359-Q361 HydrophobicContact CB-CG 4.2Å; E359-Q361 PolarHBondContact O-N 3.05Å; E359-Q361 PolarHBondContact OE2-NE2 3.17Å; E359-Q361 VanDerWaalsContact OE2-NE2 3.12Å; E359-K391 WeakPolarHBondContact OE1-CE 3.36Å; E359-K391 IonicContact OE1-NZ 2.69Å; E359-K391 PolarHBondContact OE1-NZ 3.23Å |
| 360 | G | 91.4 | Very high | 96 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 58% | 0.577 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 14.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115 | K356 T362 | K356-G360 PolarHBondContact O-N 3.12Å; G360-T362 PolarHBondContact O-N 2.88Å |
| 361 | Q | 91.8 | Very high | 96 | Very high | 119 Ų | 119 | 43.6 Ų | 43.6 | 56% | 0.556 | 22% | 0.223 | S | C | * | . | trans | -75.5 | -9.9 | -176.5 | -54.9 | 166.9 | -2.8 | 0 | 0 | 113 | K356 E359 | K356-Q361 HydrophobicContact CB-CB 4.47Å; K356-Q361 HydrophobicContact CG-CB 4.39Å; K356-Q361 PolarHBondContact O-N 3.44Å; E359-Q361 VanDerWaalsContact C-N 3.31Å; E359-Q361 HydrophobicContact CB-CG 4.2Å; E359-Q361 PolarHBondContact O-N 3.05Å; E359-Q361 PolarHBondContact OE2-NE2 3.17Å; E359-Q361 VanDerWaalsContact OE2-NE2 3.12Å | ||
| 362 | T | 93.2 | Very high | 95.9 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | trans | -123.8 | 153.8 | 174.2 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | K356 V357 G360 H364 M365 | K356-T362 HydrophobicContact CB-CG2 4.23Å; K356-T362 PolarHBondContact O-N 2.68Å; V357-T362 HydrophobicContact CB-CG2 4.41Å; V357-T362 HydrophobicContact CG1-CG2 3.61Å; G360-T362 PolarHBondContact O-N 2.88Å; T362-H364 PolarHBondContact OG1-CD2 2.74Å; T362-H364 PolarHBondContact OG1-N 2.74Å; T362-M365 HydrophobicContact CG2-SD 4.26Å | ||
| 363 | K | 94.7 | Very high | 95.9 | Very high | 196 Ų | 196 | 46.5 Ų | 46.5 | 85% | 0.852 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -90.9 | -12.1 | 172.1 | -63.1 | 177.5 | -177.1 | 174.5 | 0 | 112.3 | M365 | K363-M365 PolarHBondContact O-N 3.14Å; K363-M365 VanDerWaalsContact O-N 3.11Å |
| 364 | H | 95 | Very high | 95.7 | Very high | 29 Ų | 29 | 52 Ų | 52 | 13% | 0.134 | 27% | 0.271 | C | S | . | . | trans | -86.4 | 81.2 | -174.1 | -47.6 | -29.8 | 0 | 0 | 0 | 109.2 | N167 A170 D174 V299 T362 | N167-H364 PolarHBondContact OD1-NE2 2.67Å; A170-H364 VanDerWaalsContact CB-CD2 3.5Å; A170-H364 WeakPolarHBondContact CB-CD2 3.47Å; D174-H364 HydrophobicContact CB-CB 4.12Å; D174-H364 VanDerWaalsContact OD1-CA 3.3Å; D174-H364 WeakPolarHBondContact OD1-CA 3.49Å; V299-H364 HydrophobicContact CG1-CB 3.82Å; T362-H364 PolarHBondContact OG1-CD2 2.74Å; T362-H364 PolarHBondContact OG1-N 2.74Å | ||
| 365 | M | 97.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 61 Ų | 61 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | trans | -109.7 | -2 | -165.5 | -66.6 | -68.7 | -76.7 | 0 | 0 | 113.9 | D174 V357 T362 K363 V367 K368 N369 | D174-M365 PolarHBondContact OD1-N 3.45Å; V357-M365 HydrophobicContact CB-SD 4.04Å; V357-M365 HydrophobicContact CG1-SD 4.23Å; T362-M365 HydrophobicContact CG2-SD 4.26Å; K363-M365 PolarHBondContact O-N 3.14Å; K363-M365 VanDerWaalsContact O-N 3.11Å; M365-V367 PolarHBondContact O-N 3.07Å; M365-K368 HydrophobicContact CE-CD 4Å; M365-K368 PolarHBondContact O-N 3.46Å; M365-N369 WeakPolarHBondContact O-CB 3.36Å; M365-N369 PolarHBondContact O-N 3.39Å; M365-N369 PolarHBondContact O-ND2 3.36Å | ||
| 366 | T | 97.7 | Very high | 95.5 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 10% | 0.104 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | -172 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | D174 V177 Q178 I181 K368 N369 K370 | D174-T366 VanDerWaalsContact CG-OG1 3.25Å; D174-T366 VanDerWaalsContact OD1-CB 3.25Å; D174-T366 WeakPolarHBondContact OD1-CB 3.4Å; D174-T366 PolarHBondContact OD1-N 3.05Å; D174-T366 PolarHBondContact OD1-OG1 3.47Å; D174-T366 WeakPolarHBondContact OD2-CB 3.3Å; D174-T366 PolarHBondContact OD2-OG1 3.18Å; V177-T366 HydrophobicContact CB-CG2 3.87Å; V177-T366 HydrophobicContact CG1-CG2 3.69Å; Q178-T366 HydrophobicContact CB-CG2 4.5Å; Q178-T366 HydrophobicContact CG-CG2 3.53Å; Q178-T366 WeakPolarHBondContact CG-OG1 3.25Å; Q178-T366 PolarHBondContact NE2-OG1 3.32Å; I181-T366 HydrophobicContact CD1-CG2 4.09Å; T366-K368 PolarHBondContact O-N 3.04Å; T366-N369 PolarHBondContact O-N 3.13Å; T366-K370 WeakPolarHBondContact O-CB 3.29Å; T366-K370 PolarHBondContact O-N 3.28Å |
| 367 | V | 97.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 177 | 178.3 | 0 | 0 | 0 | 0 | 111 | V177 Y292 E295 L296 V299 M365 N369 K370 Y371 | V177-V367 HydrophobicContact CG1-CG2 4.39Å; V177-V367 HydrophobicContact CG2-CG2 4.15Å; Y292-V367 HydrophobicContact CD2-CG1 4.08Å; Y292-V367 HydrophobicContact CE2-CG1 4.1Å; E295-V367 HydrophobicContact CB-CG1 3.67Å; L296-V367 HydrophobicContact CD2-CB 4.19Å; L296-V367 HydrophobicContact CD2-CG1 3.95Å; L296-V367 HydrophobicContact CG-CG1 4.28Å; V299-V367 HydrophobicContact CG2-CG2 4.39Å; M365-V367 PolarHBondContact O-N 3.07Å; V367-N369 PolarHBondContact O-N 2.95Å; V367-K370 WeakPolarHBondContact O-CB 3.37Å; V367-K370 PolarHBondContact O-N 3.4Å; V367-Y371 HydrophobicContact CG1-CD2 4.2Å; V367-Y371 WeakPolarHBondContact O-CD2 3.22Å; V367-Y371 PolarHBondContact O-N 3.29Å |
| 368 | K | 97.6 | Very high | 95.6 | Very high | 34 Ų | 34 | 68.8 Ų | 68.8 | 15% | 0.148 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.4 | 173.9 | 165.3 | 173.2 | 173.9 | 0 | 112.1 | Y292 V357 N358 M365 T366 K370 Y371 S372 A380 | Y292-K368 HydrophobicContact CE2-CB 4.41Å; V357-K368 HydrophobicContact CB-CB 4.29Å; V357-K368 HydrophobicContact CB-CD 3.82Å; V357-K368 HydrophobicContact CG2-CB 4.4Å; V357-K368 HydrophobicContact CG2-CD 3.87Å; V357-K368 VanDerWaalsContact O-CD 3.3Å; V357-K368 WeakPolarHBondContact O-CD 3.46Å; V357-K368 PolarHBondContact O-NZ 2.84Å; N358-K368 PolarHBondContact OD1-NZ 3.45Å; M365-K368 HydrophobicContact CE-CD 4Å; M365-K368 PolarHBondContact O-N 3.46Å; T366-K368 PolarHBondContact O-N 3.04Å; K368-K370 PolarHBondContact O-N 3.04Å; K368-Y371 CarbonylContact O-C 3.55Å; K368-Y371 PolarHBondContact O-N 3.39Å; K368-S372 WeakPolarHBondContact O-CB 3.22Å; K368-S372 PolarHBondContact O-N 3.24Å; K368-S372 PolarHBondContact O-OG 3.22Å; K368-A380 HydrophobicContact CG-CB 4.19Å |
| 369 | N | 97.7 | Very high | 95.7 | Very high | 99 Ų | 99 | 67.1 Ų | 67.1 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 178.8 | -67.1 | -19.7 | 0 | 0 | 0 | 111.4 | M365 T366 V367 Y371 S372 | M365-N369 WeakPolarHBondContact O-CB 3.36Å; M365-N369 PolarHBondContact O-N 3.39Å; M365-N369 PolarHBondContact O-ND2 3.36Å; T366-N369 PolarHBondContact O-N 3.13Å; V367-N369 PolarHBondContact O-N 2.95Å; N369-Y371 PolarHBondContact O-N 2.87Å; N369-S372 PolarHBondContact O-N 3.08Å |
| 370 | K | 97.4 | Very high | 95.9 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 12% | 0.122 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.7 | -48.7 | 173.1 | 175.5 | -176.5 | 177 | 178.2 | 0 | 111.7 | V177 I181 E295 T366 V367 K368 S372 S373 Q376 | V177-K370 HydrophobicContact CG1-CD 4.06Å; I181-K370 HydrophobicContact CD1-CB 4.14Å; I181-K370 HydrophobicContact CD1-CD 4.16Å; I181-K370 HydrophobicContact CD1-CG 4.24Å; I181-K370 HydrophobicContact CG1-CD 4.45Å; E295-K370 VanDerWaalsContact CD-NZ 3.28Å; E295-K370 IonicContact OE1-NZ 2.74Å; E295-K370 PolarHBondContact OE1-NZ 3.16Å; E295-K370 VanDerWaalsContact OE1-NZ 3.13Å; E295-K370 WeakPolarHBondContact OE2-CE 3.2Å; E295-K370 IonicContact OE2-NZ 3.81Å; E295-K370 PolarHBondContact OE2-NZ 3.03Å; T366-K370 WeakPolarHBondContact O-CB 3.29Å; T366-K370 PolarHBondContact O-N 3.28Å; V367-K370 WeakPolarHBondContact O-CB 3.37Å; V367-K370 PolarHBondContact O-N 3.4Å; K368-K370 PolarHBondContact O-N 3.04Å; K370-S372 VanDerWaalsContact C-N 3.35Å; K370-S373 WeakPolarHBondContact O-CB 3.35Å; K370-S373 PolarHBondContact O-N 3.49Å; K370-S373 PolarHBondContact O-OG 3.15Å; K370-Q376 WeakPolarHBondContact O-CG 3.37Å |
| 371 | Y | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -83.3 | -4.1 | 179.6 | -78.5 | -89.2 | 0 | 0 | 0 | 115.2 | T288 K291 Y292 E295 V367 K368 N369 S373 Q376 R378 I379 A380 | T288-Y371 HydrophobicContact CG2-CD1 4.35Å; T288-Y371 HydrophobicContact CG2-CE1 4.2Å; K291-Y371 HydrophobicContact CB-CE1 4.39Å; Y292-Y371 VanDerWaalsContact CD2-CB 3.49Å; Y292-Y371 HydrophobicContact CD2-CD1 4.34Å; Y292-Y371 AromaticContact CD2-CD2 3.69Å; Y292-Y371 HydrophobicContact CD2-CD2 3.69Å; Y292-Y371 AromaticContact CD2-CG 3.57Å; Y292-Y371 HydrophobicContact CD2-CG 3.57Å; Y292-Y371 HydrophobicContact CG-CD1 4.35Å; Y292-Y371 HydrophobicContact CG-CD2 4.43Å; Y292-Y371 HydrophobicContact CG-CG 4.01Å; E295-Y371 HydrophobicContact CB-CE2 4.26Å; E295-Y371 VanDerWaalsContact CD-CE2 3.48Å; E295-Y371 HydrophobicContact CG-CE2 4.26Å; E295-Y371 WeakPolarHBondContact OE1-CE2 3.48Å; E295-Y371 VanDerWaalsContact OE1-CZ 3.27Å; E295-Y371 PolarHBondContact OE1-OH 3.34Å; V367-Y371 HydrophobicContact CG1-CD2 4.2Å; V367-Y371 WeakPolarHBondContact O-CD2 3.22Å; V367-Y371 PolarHBondContact O-N 3.29Å; K368-Y371 CarbonylContact O-C 3.55Å; K368-Y371 PolarHBondContact O-N 3.39Å; N369-Y371 PolarHBondContact O-N 2.87Å; Y371-S373 VanDerWaalsContact C-N 3.32Å; Y371-Q376 HydrophobicContact CD1-CB 3.65Å; Y371-Q376 HydrophobicContact CD1-CG 3.82Å; Y371-Q376 HydrophobicContact CE1-CB 4.23Å; Y371-Q376 HydrophobicContact CE1-CG 4.08Å; Y371-Q376 HydrophobicContact CG-CB 4.23Å; Y371-Q376 HydrophobicContact CG-CG 4.22Å; Y371-R378 CarbonylContact O-C 3.4Å; Y371-R378 WeakPolarHBondContact O-CA 3.48Å; Y371-I379 HydrophobicContact CD1-CG2 3.66Å; Y371-I379 HydrophobicContact CG-CG2 4.28Å; Y371-I379 PolarHBondContact O-N 3.01Å; Y371-I379 VanDerWaalsContact O-N 3.08Å; Y371-A380 PolarHBondContact O-N 3.24Å; Y371-A380 VanDerWaalsContact O-N 3.17Å |
| 372 | S | 97.4 | Very high | 96.3 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.9 | 168.2 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | K368 N369 K370 | K368-S372 WeakPolarHBondContact O-CB 3.22Å; K368-S372 PolarHBondContact O-N 3.24Å; K368-S372 PolarHBondContact O-OG 3.22Å; N369-S372 PolarHBondContact O-N 3.08Å; K370-S372 VanDerWaalsContact C-N 3.35Å |
| 373 | S | 96.1 | Very high | 96.4 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 33% | 0.329 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -76.5 | 154.3 | 179.6 | 73.2 | 0 | 0 | 0 | 0 | 113.1 | K370 Y371 K375 Q376 R378 | K370-S373 WeakPolarHBondContact O-CB 3.35Å; K370-S373 PolarHBondContact O-N 3.49Å; K370-S373 PolarHBondContact O-OG 3.15Å; Y371-S373 VanDerWaalsContact C-N 3.32Å; S373-K375 PolarHBondContact O-N 3.17Å; S373-Q376 CarbonylContact O-C 3.21Å; S373-Q376 PolarHBondContact O-N 2.92Å; S373-R378 PolarHBondContact O-N 2.98Å |
| 374 | Q | 94.1 | Very high | 96.5 | Very high | 130 Ų | 130 | 55.8 Ų | 55.8 | 61% | 0.607 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -57.7 | -31.1 | 175.5 | -168.1 | 67.1 | 38.4 | 0 | 0 | 112.7 | Q376 M377 R378 | Q374-Q376 PolarHBondContact O-N 3.15Å; Q374-M377 PolarHBondContact O-N 2.68Å; Q374-M377 VanDerWaalsContact O-N 3.1Å; Q374-R378 VanDerWaalsContact OE1-CZ 3.24Å |
| 375 | K | 93.4 | Very high | 96.5 | Very high | 189 Ų | 189 | 54.4 Ų | 54.4 | 82% | 0.822 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -61.7 | -25.3 | 176.9 | -174.6 | 178.2 | 178 | -175.3 | 0 | 112.7 | S373 | S373-K375 PolarHBondContact O-N 3.17Š|
| 376 | Q | 95.4 | Very high | 96.3 | Very high | 30 Ų | 30 | 58.9 Ų | 58.9 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -111.7 | 29.9 | 177.5 | -54.7 | -65.2 | 1.3 | 0 | 0 | 111.4 | T288 K370 Y371 S373 Q374 R378 I379 | T288-Q376 HydrophobicContact CG2-CB 4.44Å; K370-Q376 WeakPolarHBondContact O-CG 3.37Å; Y371-Q376 HydrophobicContact CD1-CB 3.65Å; Y371-Q376 HydrophobicContact CD1-CG 3.82Å; Y371-Q376 HydrophobicContact CE1-CB 4.23Å; Y371-Q376 HydrophobicContact CE1-CG 4.08Å; Y371-Q376 HydrophobicContact CG-CB 4.23Å; Y371-Q376 HydrophobicContact CG-CG 4.22Å; S373-Q376 CarbonylContact O-C 3.21Å; S373-Q376 PolarHBondContact O-N 2.92Å; Q374-Q376 PolarHBondContact O-N 3.15Å; Q376-R378 PolarHBondContact O-N 3.29Å; Q376-I379 WeakPolarHBondContact O-CB 3.5Å; Q376-I379 PolarHBondContact O-N 3.08Å |
| 377 | M | 95.8 | Very high | 96.1 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 42% | 0.424 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 17.4 | -179 | -63.1 | 175.6 | -72 | 0 | 0 | 115 | A284 T288 Q374 I379 | A284-M377 WeakPolarHBondContact O-CE 3.32Å; T288-M377 VanDerWaalsContact CB-CE 3.47Å; T288-M377 HydrophobicContact CG2-CE 3.8Å; T288-M377 WeakPolarHBondContact OG1-CE 3.33Å; Q374-M377 PolarHBondContact O-N 2.68Å; Q374-M377 VanDerWaalsContact O-N 3.1Å; M377-I379 PolarHBondContact O-N 2.93Å |
| 378 | R | 97 | Very high | 95.9 | Very high | 139 Ų | 139 | 63.6 Ų | 63.6 | 53% | 0.525 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 25.1 | -170.5 | -41.9 | -176.9 | -170.2 | -178.9 | 3.4 | 113.9 | Y371 S373 Q374 Q376 A380 T381 | Y371-R378 CarbonylContact O-C 3.4Å; Y371-R378 WeakPolarHBondContact O-CA 3.48Å; S373-R378 PolarHBondContact O-N 2.98Å; Q374-R378 VanDerWaalsContact OE1-CZ 3.24Å; Q376-R378 PolarHBondContact O-N 3.29Å; R378-A380 PolarHBondContact O-N 3.2Å; R378-T381 WeakPolarHBondContact CB-OG1 3.25Å; R378-T381 WeakPolarHBondContact O-CB 3.14Å; R378-T381 PolarHBondContact O-N 2.68Å; R378-T381 PolarHBondContact O-OG1 3.43Å |
| 379 | I | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -54.5 | -30.6 | -168.4 | -156.9 | 70.3 | 0 | 0 | 0 | 114 | E285 T288 L289 Y292 F323 Y371 Q376 M377 T381 I382 L385 | E285-I379 HydrophobicContact CG-CD1 3.54Å; T288-I379 HydrophobicContact CG2-CB 4.38Å; T288-I379 HydrophobicContact CG2-CG2 4.11Å; L289-I379 HydrophobicContact CB-CD1 4.16Å; L289-I379 HydrophobicContact CB-CG1 3.7Å; L289-I379 HydrophobicContact CD1-CG1 3.83Å; L289-I379 HydrophobicContact CG-CG1 4.36Å; Y292-I379 HydrophobicContact CG-CG2 4.4Å; F323-I379 HydrophobicContact CZ-CD1 4.21Å; Y371-I379 HydrophobicContact CD1-CG2 3.66Å; Y371-I379 HydrophobicContact CG-CG2 4.28Å; Y371-I379 PolarHBondContact O-N 3.01Å; Y371-I379 VanDerWaalsContact O-N 3.08Å; Q376-I379 WeakPolarHBondContact O-CB 3.5Å; Q376-I379 PolarHBondContact O-N 3.08Å; M377-I379 PolarHBondContact O-N 2.93Å; I379-T381 PolarHBondContact O-N 3.01Å; I379-T381 VanDerWaalsContact O-N 3.1Å; I379-I382 HydrophobicContact CD1-CD1 4.17Å; I379-I382 HydrophobicContact CD1-CG2 4.28Å; I379-I382 WeakPolarHBondContact O-CG1 3.34Å; I379-I382 PolarHBondContact O-N 3.01Å; I379-L385 WeakPolarHBondContact O-CD1 3.43Å |
| 380 | A | 97.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -73 | 3.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y292 K368 Y371 R378 | Y292-A380 HydrophobicContact CD1-CB 4.29Å; Y292-A380 HydrophobicContact CD2-CB 4.23Å; Y292-A380 HydrophobicContact CE1-CB 3.8Å; Y292-A380 HydrophobicContact CE2-CB 3.74Å; Y292-A380 HydrophobicContact CG-CB 4.47Å; Y292-A380 VanDerWaalsContact CZ-CB 3.47Å; K368-A380 HydrophobicContact CG-CB 4.19Å; Y371-A380 PolarHBondContact O-N 3.24Å; Y371-A380 VanDerWaalsContact O-N 3.17Å; R378-A380 PolarHBondContact O-N 3.2Å |
| 381 | T | 96.2 | Very high | 95.5 | Very high | 74 Ų | 74 | 62.2 Ų | 62.2 | 45% | 0.454 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -117.1 | -4.9 | -178.7 | 69.1 | 0 | 0 | 0 | 0 | 114.5 | R378 I379 | R378-T381 WeakPolarHBondContact CB-OG1 3.25Å; R378-T381 WeakPolarHBondContact O-CB 3.14Å; R378-T381 PolarHBondContact O-N 2.68Å; R378-T381 PolarHBondContact O-OG1 3.43Å; I379-T381 PolarHBondContact O-N 3.01Å; I379-T381 VanDerWaalsContact O-N 3.1Å |
| 382 | I | 96.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 65.2 Ų | 65.2 | 13% | 0.128 | 34% | 0.335 | C | S | . | . | trans | -62.4 | 150 | -177.3 | 72.2 | -178.8 | 0 | 0 | 0 | 112.2 | L289 F323 I379 Q384 L385 | L289-I382 HydrophobicContact CD1-CD1 4.42Å; L289-I382 HydrophobicContact CD2-CD1 4.39Å; F323-I382 HydrophobicContact CE1-CD1 4.38Å; F323-I382 HydrophobicContact CE2-CD1 4.42Å; F323-I382 HydrophobicContact CZ-CD1 3.84Å; I379-I382 HydrophobicContact CD1-CD1 4.17Å; I379-I382 HydrophobicContact CD1-CG2 4.28Å; I379-I382 WeakPolarHBondContact O-CG1 3.34Å; I379-I382 PolarHBondContact O-N 3.01Å; I382-Q384 VanDerWaalsContact C-N 3.3Å; I382-Q384 HydrophobicContact CD1-CB 4.35Å; I382-Q384 HydrophobicContact CG1-CB 4.41Å; I382-Q384 PolarHBondContact O-N 3.18Å; I382-L385 HydrophobicContact CD1-CG 4.21Å; I382-L385 HydrophobicContact CG1-CD1 3.97Å; I382-L385 HydrophobicContact CG1-CG 3.72Å; I382-L385 PolarHBondContact O-N 3.24Å | ||
| 383 | S | 95.6 | Very high | 95.2 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -67.3 | -30.5 | -174.1 | 50.9 | 0 | 0 | 0 | 0 | 113 | L385 K386 | S383-L385 PolarHBondContact O-N 3.34Å; S383-L385 VanDerWaalsContact O-N 3.17Å; S383-K386 WeakPolarHBondContact O-CB 3.47Å; S383-K386 PolarHBondContact O-N 2.91Å |
| 384 | Q | 95.4 | Very high | 94.9 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -58.7 | -27.8 | 179 | -59.7 | 87.7 | -30.3 | 0 | 0 | 112.4 | V322 I382 K386 S387 | V322-Q384 HydrophobicContact CG1-CB 3.67Å; I382-Q384 VanDerWaalsContact C-N 3.3Å; I382-Q384 HydrophobicContact CD1-CB 4.35Å; I382-Q384 HydrophobicContact CG1-CB 4.41Å; I382-Q384 PolarHBondContact O-N 3.18Å; Q384-K386 PolarHBondContact O-N 3.33Å; Q384-S387 WeakPolarHBondContact O-CB 3.44Å; Q384-S387 PolarHBondContact O-N 3.34Å; Q384-S387 PolarHBondContact O-OG 3.35Å |
| 385 | L | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -76.1 | 3.2 | 175.5 | -60.9 | 179.9 | 0 | 0 | 0 | 114.6 | L289 Y292 F293 V322 V354 N358 I379 I382 S383 | L289-L385 HydrophobicContact CD1-CD1 4.04Å; L289-L385 HydrophobicContact CD1-CD2 3.99Å; L289-L385 HydrophobicContact CD1-CG 4.43Å; Y292-L385 HydrophobicContact CD1-CD1 4.4Å; Y292-L385 HydrophobicContact CE1-CD1 3.95Å; F293-L385 HydrophobicContact CE1-CD2 3.66Å; F293-L385 HydrophobicContact CZ-CD2 3.64Å; V322-L385 HydrophobicContact CG1-CD2 4.1Å; V354-L385 HydrophobicContact CG1-CB 4.15Å; V354-L385 HydrophobicContact CG1-CD2 4.18Å; N358-L385 PolarHBondContact ND2-O 2.97Å; I379-L385 WeakPolarHBondContact O-CD1 3.43Å; I382-L385 HydrophobicContact CD1-CG 4.21Å; I382-L385 HydrophobicContact CG1-CD1 3.97Å; I382-L385 HydrophobicContact CG1-CG 3.72Å; I382-L385 PolarHBondContact O-N 3.24Å; S383-L385 PolarHBondContact O-N 3.34Å; S383-L385 VanDerWaalsContact O-N 3.17Å |
| 386 | K | 92.8 | Very high | 94.1 | Very high | 143 Ų | 143 | 58 Ų | 58 | 62% | 0.622 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -115.4 | 5.4 | 172.2 | -58 | 176.1 | -178.2 | 174 | 0 | 112.5 | S383 Q384 | S383-K386 WeakPolarHBondContact O-CB 3.47Å; S383-K386 PolarHBondContact O-N 2.91Å; Q384-K386 PolarHBondContact O-N 3.33Å |
| 387 | S | 93.9 | Very high | 93.3 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -62.2 | 164 | -178.9 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | Q384 L389 K391 | Q384-S387 WeakPolarHBondContact O-CB 3.44Å; Q384-S387 PolarHBondContact O-N 3.34Å; Q384-S387 PolarHBondContact O-OG 3.35Å; S387-L389 VanDerWaalsContact C-N 3.31Å; S387-K391 PolarHBondContact O-N 2.68Å |
| 388 | S | 93.8 | Very high | 91.5 | Very high | 84 Ų | 84 | 59.6 Ų | 59.6 | 59% | 0.587 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -55.6 | -44.8 | 166.2 | 42.6 | 0 | 0 | 0 | 0 | 111.5 | I390 K391 D392 | S388-I390 PolarHBondContact O-N 3.04Å; S388-K391 CarbonylContact O-C 3.54Å; S388-K391 WeakPolarHBondContact O-CA 3.48Å; S388-K391 WeakPolarHBondContact O-CB 3.44Å; S388-K391 PolarHBondContact O-N 2.78Å; S388-D392 WeakPolarHBondContact CB-OD2 3.06Å; S388-D392 VanDerWaalsContact O-CG 3.28Å; S388-D392 PolarHBondContact O-N 3.13Å; S388-D392 VanDerWaalsContact O-OD2 3.08Å |
| 389 | L | 94.7 | Very high | 88.9 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -51.4 | -47.6 | -178.7 | -176.8 | 138.2 | 0 | 0 | 0 | 113.6 | L318 K321 V322 S387 K391 L393 | L318-L389 HydrophobicContact CD1-CD2 4.11Å; K321-L389 HydrophobicContact CB-CD1 4.09Å; K321-L389 HydrophobicContact CB-CD2 4.32Å; V322-L389 HydrophobicContact CG2-CD2 3.95Å; S387-L389 VanDerWaalsContact C-N 3.31Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 2.65Å; L389-L393 HydrophobicContact CD2-CD1 3.86Å; L389-L393 HydrophobicContact CG-CD1 4.24Å; L389-L393 WeakPolarHBondContact O-CB 3.24Å; L389-L393 WeakPolarHBondContact O-CG 3.3Å; L389-L393 PolarHBondContact O-N 3.06Å; L389-L393 VanDerWaalsContact O-N 3.12Å |
| 390 | I | 94.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 175.5 | -67.5 | -67.8 | 0 | 0 | 0 | 111.5 | L318 V322 A351 V354 L355 S388 A394 | L318-I390 HydrophobicContact CD1-CD1 4.16Å; L318-I390 HydrophobicContact CD2-CD1 4.25Å; L318-I390 HydrophobicContact CG-CD1 4.43Å; V322-I390 HydrophobicContact CG2-CD1 3.71Å; V322-I390 HydrophobicContact CG2-CG1 4.19Å; A351-I390 HydrophobicContact CB-CD1 4.39Å; A351-I390 HydrophobicContact CB-CG2 4.41Å; V354-I390 HydrophobicContact CB-CG2 4.14Å; V354-I390 HydrophobicContact CG1-CG2 3.87Å; L355-I390 HydrophobicContact CD2-CG2 3.77Å; L355-I390 HydrophobicContact CG-CG2 4.17Å; S388-I390 PolarHBondContact O-N 3.04Å; I390-A394 VanDerWaalsContact O-CB 3.29Å; I390-A394 WeakPolarHBondContact O-CB 3.44Å; I390-A394 PolarHBondContact O-N 3.23Å |
| 391 | K | 94 | Very high | 88 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 31% | 0.313 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.2 | -40.8 | 179 | -72.5 | -178.9 | 174.2 | -148.5 | 0 | 112.7 | L355 E359 S387 S388 L389 A394 K395 | L355-K391 HydrophobicContact CD1-CG 4.36Å; L355-K391 HydrophobicContact CD2-CG 3.72Å; E359-K391 WeakPolarHBondContact OE1-CE 3.36Å; E359-K391 IonicContact OE1-NZ 2.69Å; E359-K391 PolarHBondContact OE1-NZ 3.23Å; S387-K391 PolarHBondContact O-N 2.68Å; S388-K391 CarbonylContact O-C 3.54Å; S388-K391 WeakPolarHBondContact O-CA 3.48Å; S388-K391 WeakPolarHBondContact O-CB 3.44Å; S388-K391 PolarHBondContact O-N 2.78Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 2.65Å; K391-A394 PolarHBondContact O-N 3.24Å; K391-K395 VanDerWaalsContact O-CG 3.26Å; K391-K395 WeakPolarHBondContact O-CG 3.41Å; K391-K395 PolarHBondContact O-N 3.1Å |
| 392 | D | 94.8 | Very high | 87.5 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 35% | 0.348 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -80.2 | -37.2 | -173 | -60.5 | -36.9 | 0 | 0 | 0 | 111.2 | S388 A394 K395 Q396 | S388-D392 WeakPolarHBondContact CB-OD2 3.06Å; S388-D392 VanDerWaalsContact O-CG 3.28Å; S388-D392 PolarHBondContact O-N 3.13Å; S388-D392 VanDerWaalsContact O-OD2 3.08Å; D392-A394 VanDerWaalsContact C-N 3.34Å; D392-A394 PolarHBondContact O-N 3.41Å; D392-K395 PolarHBondContact O-N 3.32Å; D392-K395 WeakPolarHBondContact OD1-CE 3.46Å; D392-K395 IonicContact OD1-NZ 3.19Å; D392-K395 PolarHBondContact OD1-NZ 3.1Å; D392-Q396 WeakPolarHBondContact O-CG 3.45Å; D392-Q396 PolarHBondContact O-N 2.9Å |
| 393 | L | 93.3 | Very high | 87 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 166.1 | -74 | 170.7 | 0 | 0 | 0 | 112.2 | L318 Q348 A351 L389 | L318-L393 HydrophobicContact CD1-CD1 3.51Å; Q348-L393 WeakPolarHBondContact CB-O 3.15Å; Q348-L393 HydrophobicContact CG-CD2 4.26Å; Q348-L393 WeakPolarHBondContact CG-O 3.35Å; A351-L393 HydrophobicContact CB-CB 3.74Å; L389-L393 HydrophobicContact CD2-CD1 3.86Å; L389-L393 HydrophobicContact CG-CD1 4.24Å; L389-L393 WeakPolarHBondContact O-CB 3.24Å; L389-L393 WeakPolarHBondContact O-CG 3.3Å; L389-L393 PolarHBondContact O-N 3.06Å; L389-L393 VanDerWaalsContact O-N 3.12Å |
| 394 | A | 91.6 | Very high | 86.4 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 5% | 0.05 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A351 K352 L355 I390 K391 D392 Q396 L397 | A351-A394 HydrophobicContact CB-CB 4.3Å; K352-A394 HydrophobicContact CB-CB 4.41Å; L355-A394 HydrophobicContact CD1-CB 3.44Å; L355-A394 VanDerWaalsContact CD1-CB 3.44Å; L355-A394 HydrophobicContact CG-CB 3.9Å; I390-A394 VanDerWaalsContact O-CB 3.29Å; I390-A394 WeakPolarHBondContact O-CB 3.44Å; I390-A394 PolarHBondContact O-N 3.23Å; K391-A394 PolarHBondContact O-N 3.24Å; D392-A394 VanDerWaalsContact C-N 3.34Å; D392-A394 PolarHBondContact O-N 3.41Å; A394-Q396 VanDerWaalsContact C-N 3.33Å; A394-Q396 PolarHBondContact O-N 3.31Å; A394-L397 PolarHBondContact O-N 2.65Å |
| 395 | K | 88.7 | Confident | 85.8 | Confident | 116 Ų | 116 | 70.7 Ų | 70.7 | 50% | 0.504 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 177.5 | -74.6 | 167 | -164.9 | 167.1 | 0 | 112.8 | K391 D392 L397 T398 | K391-K395 VanDerWaalsContact O-CG 3.26Å; K391-K395 WeakPolarHBondContact O-CG 3.41Å; K391-K395 PolarHBondContact O-N 3.1Å; D392-K395 PolarHBondContact O-N 3.32Å; D392-K395 WeakPolarHBondContact OD1-CE 3.46Å; D392-K395 IonicContact OD1-NZ 3.19Å; D392-K395 PolarHBondContact OD1-NZ 3.1Å; K395-L397 PolarHBondContact O-N 3.12Å; K395-L397 VanDerWaalsContact O-N 3.11Å; K395-T398 PolarHBondContact O-N 3.36Å; K395-T398 PolarHBondContact O-OG1 3.11Å |
| 396 | Q | 82.3 | Confident | 85.1 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 47% | 0.472 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13.3 | -179.6 | -71.7 | 170.9 | -5.6 | 0 | 0 | 113.8 | Q348 D392 A394 | Q348-Q396 HydrophobicContact CG-CB 4.47Å; Q348-Q396 VanDerWaalsContact NE2-CB 3.34Å; D392-Q396 WeakPolarHBondContact O-CG 3.45Å; D392-Q396 PolarHBondContact O-N 2.9Å; A394-Q396 VanDerWaalsContact C-N 3.33Å; A394-Q396 PolarHBondContact O-N 3.31Å |
| 397 | L | 78.4 | Confident | 84.5 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -0.5 | 173.7 | -152.3 | 89.2 | 0 | 0 | 0 | 113.5 | Q348 H349 K352 A394 K395 | Q348-L397 HydrophobicContact CB-CB 4.3Å; Q348-L397 HydrophobicContact CB-CD1 3.75Å; H349-L397 VanDerWaalsContact CD2-CD1 3.49Å; H349-L397 WeakPolarHBondContact CD2-CD1 3.46Å; K352-L397 HydrophobicContact CB-CD2 4.49Å; K352-L397 HydrophobicContact CD-CD2 3.77Å; A394-L397 PolarHBondContact O-N 2.65Å; K395-L397 PolarHBondContact O-N 3.12Å; K395-L397 VanDerWaalsContact O-N 3.11Å |
| 398 | T | 57.6 | Low | 83.8 | Confident | 114 Ų | 114 | 73.6 Ų | 73.6 | 70% | 0.699 | 39% | 0.39 | S | S | * | . | trans | -118.7 | 13.9 | -179.9 | 45.7 | 0 | 0 | 0 | 0 | 112.8 | K395 | K395-T398 PolarHBondContact O-N 3.36Å; K395-T398 PolarHBondContact O-OG1 3.11Å | ||
| 399 | L | 41.1 | Very low | 82.8 | Confident | 206 Ų | 206 | 72.6 Ų | 72.6 | 100% | 1.079 | 37% | 0.372 | S | S | * | . | trans | -116.7 | 0 | 171.5 | -67 | 173.3 | 0 | 0 | 0 | 108.6 |
Retrieved 399 of 399 residues in 156.5 ms
(Link to these results)