| 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 | 33.1 | Very low | 29.5 | Very low | 237 Ų | 237 | 148.5 Ų | 148.5 | 100% | 1.167 | 78% | 0.775 | S | S | * | * | 0 | 125.5 | 0 | -90.1 | 171.7 | 164.7 | 0 | 0 | 107.5 | |||||
| 2 | T | 32.4 | Very low | 29.4 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | 59.2 | 106.6 | 160.9 | 47.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 3 | E | 27.9 | Very low | 29.2 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | 70.4 | 140.5 | 78.6 | -79.5 | -171.9 | 168.6 | 0 | 0 | 110.9 | |||||
| 4 | S | 28.2 | Very low | 29.1 | Very low | 85 Ų | 85 | 148.9 Ų | 148.9 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | cis | 179.8 | 156 | 24.9 | 116.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 5 | H | 32.5 | Very low | 28.9 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 61.4 | 122.5 | 142.2 | -66.9 | -54.1 | 0 | 0 | 0 | 122.5 | ||||
| 6 | C | 28.5 | Very low | 28.7 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | 75.6 | 122.1 | 75.8 | -152.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 7 | T | 29.6 | Very low | 28.5 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | 176.6 | 148.3 | 86.5 | 22.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 8 | K | 28 | Very low | 28.3 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | trans | 75 | 110.3 | 131.7 | -68.4 | 169.1 | -176.8 | 178.9 | 0 | 122.5 | ||||
| 9 | D | 30.2 | Very low | 28.3 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | 29.6 | 137 | 113.5 | -62.8 | -44.3 | 0 | 0 | 0 | 121.8 | |||||
| 10 | I | 28.2 | Very low | 28.4 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 82% | 0.821 | 77% | 0.767 | S | S | * | * | trans | 177 | 110.6 | 132.7 | -89.1 | 152.7 | 0 | 0 | 0 | 108.3 | ||||
| 11 | Q | 26.4 | Very low | 28.6 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | 51.3 | 136.3 | 104.8 | -87.7 | -172 | -5.5 | 0 | 0 | 115.6 | |||||
| 12 | K | 28.3 | Very low | 28.5 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | cis | -179.1 | 146.7 | 37.4 | -128.4 | 170.7 | -177.5 | 169.9 | 0 | 111.6 | ||||
| 13 | N | 26.4 | Very low | 28.5 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 52.7 | 141.1 | 137 | -69.4 | -1.8 | 0 | 0 | 0 | 124.3 | ||||
| 14 | I | 27.7 | Very low | 28.6 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 82% | 0.821 | 75% | 0.754 | S | S | * | * | -166.6 | 126.1 | 120.1 | -92.3 | 153.4 | 0 | 0 | 0 | 112.2 | |||||
| 15 | S | 26.2 | Very low | 28.6 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | trans | 47.6 | 118.6 | 152.9 | 63.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 16 | S | 25 | Very low | 28.6 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | 62.4 | 133.3 | 75.2 | 75.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 17 | S | 25.4 | Very low | 28.9 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | cis | -169.7 | 143.6 | 25.9 | 48.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 18 | S | 26.1 | Very low | 28.7 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 27.5 | 123.1 | 139.7 | 159.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 19 | S | 27.1 | Very low | 28.9 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | -173.6 | 133.6 | 120.2 | 39.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 20 | A | 30.7 | Very low | 28.7 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -81.1 | 158.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 21 | P | 33.6 | Very low | 28.6 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | -151.8 | 148.7 | 95.7 | 34.7 | -15 | 0 | 0 | 0 | 117.6 | |||||
| 22 | V | 30.3 | Very low | 28.5 | Very low | 137 Ų | 137 | 124.2 Ų | 124.2 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | 59.7 | 141.8 | 131.9 | -176.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 23 | P | 32.1 | Very low | 28.5 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -102.1 | 162.8 | -159.5 | 38.1 | -26.3 | 0 | 0 | 0 | 114.6 | ||||
| 24 | V | 30.8 | Very low | 28.5 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -109.7 | 130.3 | 174.3 | 180 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 25 | S | 27.8 | Very low | 28.6 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -83.3 | 146.3 | 176.6 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 26 | S | 31.1 | Very low | 28.7 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 153.5 | 179.7 | 87.6 | 63 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 27 | P | 36.3 | Very low | 28.7 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | -126 | 166.8 | -104.4 | 31 | -9 | 0 | 0 | 0 | 114.9 | |||||
| 28 | S | 25.4 | Very low | 28.9 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -174.2 | 151.9 | 163.5 | -89.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 29 | P | 31.6 | Very low | 28.9 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | -107.1 | 150.1 | -96.6 | 29.8 | -16.5 | 0 | 0 | 0 | 113.9 | |||||
| 30 | V | 26.2 | Very low | 28.8 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | -70.3 | 120.8 | 166.2 | 174.1 | 0 | 0 | 0 | 0 | 108.2 | T32 | V30-T32 PolarHBondContact O-N 3.36Š| ||
| 31 | F | 25.6 | Very low | 28.9 | Very low | 197 Ų | 197 | 133.8 Ų | 133.8 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -76.6 | 106.4 | 165.7 | -95.5 | -87.3 | 0 | 0 | 0 | 108.7 | E33 | F31-E33 PolarHBondContact O-N 3.12Š| ||
| 32 | T | 24.8 | Very low | 28.7 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -68.2 | 115.8 | 167.4 | -48.6 | 0 | 0 | 0 | 0 | 108.8 | V30 L34 | V30-T32 PolarHBondContact O-N 3.36Å; T32-L34 PolarHBondContact O-N 3.48Å | ||
| 33 | E | 27.4 | Very low | 28.6 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -65.5 | 114.9 | 166.6 | -79.9 | -163.8 | 152.3 | 0 | 0 | 109.5 | F31 H35 | F31-E33 PolarHBondContact O-N 3.12Å; E33-H35 PolarHBondContact O-N 2.95Å | ||
| 34 | L | 26.8 | Very low | 28.4 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -77.4 | 102.3 | 168.6 | -88 | 146.9 | 0 | 0 | 0 | 109.2 | T32 | T32-L34 PolarHBondContact O-N 3.48Š| ||
| 35 | H | 29.6 | Very low | 28.4 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -64.2 | 132 | 159.6 | -104.5 | -81.4 | 0 | 0 | 0 | 110.1 | E33 L37 | E33-H35 PolarHBondContact O-N 2.95Å; H35-L37 PolarHBondContact O-N 3.07Å | ||
| 36 | P | 29.1 | Very low | 28.5 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -78.9 | 104.2 | 165.4 | -9.5 | 26.3 | 0 | 0 | 0 | 109.8 | M38 | P36-M38 PolarHBondContact O-N 3.45Š| ||
| 37 | L | 24.3 | Very low | 28.4 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -67.5 | 113.8 | 157.2 | -98.2 | 142.5 | 0 | 0 | 0 | 108.6 | H35 | H35-L37 PolarHBondContact O-N 3.07Š| ||
| 38 | M | 29.1 | Very low | 28.2 | Very low | 188 Ų | 188 | 147 Ų | 147 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | trans | -126.8 | 104.6 | 146.2 | -78.1 | -152.6 | 165.5 | 0 | 0 | 108.4 | P36 | P36-M38 PolarHBondContact O-N 3.45Š| ||
| 39 | A | 26.3 | Very low | 28.6 | Very low | 89 Ų | 89 | 147.9 Ų | 147.9 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -66.6 | 143.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 40 | S | 25.8 | Very low | 28.5 | Very low | 114 Ų | 114 | 154 Ų | 154 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -139.8 | 144.7 | 153.5 | -79.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 41 | P | 33.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -83.7 | 153.2 | -157.1 | 4.3 | 14.3 | 0 | 0 | 0 | 111.7 | N43 | P41-N43 PolarHBondContact O-N 3.33Š| ||
| 42 | E | 29.4 | Very low | 29.1 | Very low | 193 Ų | 193 | 153.8 Ų | 153.8 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -50.5 | 124.5 | 162.8 | -66.5 | 175.4 | 149.5 | 0 | 0 | 110.4 | ||||
| 43 | N | 26.9 | Very low | 29.7 | Very low | 154 Ų | 154 | 152 Ų | 152 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -137 | 104.4 | 159.6 | -97.9 | -19.1 | 0 | 0 | 0 | 107.4 | P41 P45 | P41-N43 PolarHBondContact O-N 3.33Å; N43-P45 WeakPolarHBondContact O-CD 3.37Å | ||
| 44 | N | 28.4 | Very low | 29.9 | Very low | 165 Ų | 165 | 152.6 Ų | 152.6 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -63 | 133.2 | 159.8 | -86.6 | -25.6 | 0 | 0 | 0 | 108.9 | ||||
| 45 | P | 31.5 | Very low | 30.4 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -105 | 121.8 | 154.7 | 9.8 | 11.2 | 0 | 0 | 0 | 109.1 | N43 | N43-P45 WeakPolarHBondContact O-CD 3.37Š| ||
| 46 | S | 29.9 | Very low | 30.6 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -48.2 | 139.5 | 159.6 | 41.5 | 0 | 0 | 0 | 0 | 111.7 | E48 | S46-E48 PolarHBondContact O-N 3.46Š| ||
| 47 | Q | 29.7 | Very low | 31.4 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -60 | 119.2 | 172.2 | -166.5 | 174.2 | 16.2 | 0 | 0 | 110.9 | ||||
| 48 | E | 32.2 | Very low | 32.5 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -151.1 | 120.8 | 154.9 | -118.5 | 174.7 | -167.2 | 0 | 0 | 110 | S46 | S46-E48 PolarHBondContact O-N 3.46Š| ||
| 49 | D | 32 | Very low | 33.7 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -69.8 | 139.2 | -179.6 | -70.5 | -54 | 0 | 0 | 0 | 112.3 | ||||
| 50 | R | 30.6 | Very low | 35.1 | Very low | 236 Ų | 236 | 137.6 Ų | 137.6 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | 164.7 | 112.2 | 113.4 | -88.2 | 174.1 | -176.9 | -171.2 | 1 | 113.3 | |||||
| 51 | V | 34.2 | Very low | 37.1 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | 10.9 | 119.6 | 140.4 | -159.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 52 | E | 30.4 | Very low | 39 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | 178.9 | 128 | 110.2 | -94.9 | -176.9 | 173.1 | 0 | 0 | 112.7 | |||||
| 53 | G | 37 | Very low | 41.1 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 80.9 | 69.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 54 | Q | 31.3 | Very low | 43.4 | Very low | 192 Ų | 192 | 131.4 Ų | 131.4 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -135.4 | 118.6 | 152.6 | -73.2 | -171.1 | 3.9 | 0 | 0 | 111.5 | G56 | Q54-G56 PolarHBondContact O-N 2.96Š| ||
| 55 | S | 36.9 | Very low | 45.6 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 88% | 0.881 | 75% | 0.746 | S | S | * | * | trans | -58.4 | 101.6 | 166.2 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 56 | G | 35.4 | Very low | 47.9 | Very low | 57 Ų | 57 | 123.4 Ų | 123.4 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | trans | -64.6 | 156.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q54 A58 | Q54-G56 PolarHBondContact O-N 2.96Å; G56-A58 PolarHBondContact O-N 3.09Å | ||
| 57 | P | 45.4 | Very low | 50.4 | Low | 131 Ų | 131 | 125.3 Ų | 125.3 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | trans | -61.6 | 129.2 | 177.4 | 27.2 | -31.6 | 0 | 0 | 0 | 108.5 | G59 | P57-G59 PolarHBondContact O-N 3.36Š| ||
| 58 | A | 46.4 | Very low | 52.7 | Low | 103 Ų | 103 | 119 Ų | 119 | 85% | 0.851 | 70% | 0.698 | S | S | * | * | trans | -50.5 | 115.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | G56 | G56-A58 PolarHBondContact O-N 3.09Š| ||
| 59 | G | 55.5 | Low | 55 | Low | 58 Ų | 58 | 119 Ų | 119 | 60% | 0.598 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 151.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P57 S61 | P57-G59 PolarHBondContact O-N 3.36Å; G59-S61 PolarHBondContact O-N 3.25Å; G59-S61 VanDerWaalsContact O-N 3.12Å |
| 60 | P | 54.8 | Low | 57.5 | Low | 94 Ų | 94 | 118.2 Ų | 118.2 | 61% | 0.61 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 125.6 | -178.1 | 20.7 | -30.9 | 0 | 0 | 0 | 109.4 | H64 | P60-H64 HydrophobicContact CB-CB 4.46Š|
| 61 | S | 67.4 | Low | 59.9 | Low | 74 Ų | 74 | 111 Ų | 111 | 52% | 0.517 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -50.1 | 144.7 | -177.2 | 66.7 | 0 | 0 | 0 | 0 | 110.4 | G59 L63 H64 T65 | G59-S61 PolarHBondContact O-N 3.25Å; G59-S61 VanDerWaalsContact O-N 3.12Å; S61-L63 PolarHBondContact O-N 3.4Å; S61-H64 WeakPolarHBondContact O-CB 3.36Å; S61-H64 PolarHBondContact O-N 2.88Å; S61-T65 PolarHBondContact O-N 2.93Å |
| 62 | C | 72.8 | Confident | 62.1 | Low | 113 Ų | 113 | 111 Ų | 111 | 76% | 0.764 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -49.1 | -35.1 | -178.2 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | T65 A66 | C62-T65 PolarHBondContact O-N 3.5Å; C62-A66 WeakPolarHBondContact O-CB 3.48Å; C62-A66 PolarHBondContact O-N 3.06Å |
| 63 | L | 74.5 | Confident | 64.5 | Low | 145 Ų | 145 | 103.6 Ų | 103.6 | 76% | 0.759 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 174.4 | -68.8 | 170.8 | 0 | 0 | 0 | 113.6 | S61 T65 A66 W67 | S61-L63 PolarHBondContact O-N 3.4Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-A66 PolarHBondContact O-N 3.45Å; L63-W67 WeakPolarHBondContact O-CB 3.47Å; L63-W67 PolarHBondContact O-N 3.16Å |
| 64 | H | 74.7 | Confident | 66.7 | Low | 116 Ų | 116 | 101.8 Ų | 101.8 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.4 | -38.2 | 176.9 | -174.9 | -90.9 | 0 | 0 | 0 | 111.7 | P60 S61 S68 | P60-H64 HydrophobicContact CB-CB 4.46Å; S61-H64 WeakPolarHBondContact O-CB 3.36Å; S61-H64 PolarHBondContact O-N 2.88Å; H64-S68 WeakPolarHBondContact O-CB 3.39Å; H64-S68 PolarHBondContact O-N 3.38Å; H64-S68 PolarHBondContact O-OG 2.95Å; H64-S68 VanDerWaalsContact O-OG 3.07Å |
| 65 | T | 76.1 | Confident | 69.3 | Low | 59 Ų | 59 | 95.9 Ų | 95.9 | 36% | 0.362 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.1 | -41.2 | 176 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | S61 C62 L63 S68 R69 | S61-T65 PolarHBondContact O-N 2.93Å; C62-T65 PolarHBondContact O-N 3.5Å; L63-T65 VanDerWaalsContact C-N 3.34Å; T65-S68 PolarHBondContact O-OG 2.96Å; T65-R69 VanDerWaalsContact O-CG 3.3Å; T65-R69 WeakPolarHBondContact O-CG 3.48Å; T65-R69 PolarHBondContact O-N 3.45Å |
| 66 | A | 79.4 | Confident | 71.7 | Confident | 56 Ų | 56 | 95.8 Ų | 95.8 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.5 | -44.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C62 L63 R69 F70 | C62-A66 WeakPolarHBondContact O-CB 3.48Å; C62-A66 PolarHBondContact O-N 3.06Å; L63-A66 PolarHBondContact O-N 3.45Å; A66-R69 PolarHBondContact O-N 3.22Å; A66-F70 PolarHBondContact O-N 3.19Å |
| 67 | W | 81.1 | Confident | 74.3 | Confident | 156 Ų | 156 | 97.2 Ų | 97.2 | 59% | 0.591 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 178.5 | -175.7 | -107.7 | 0 | 0 | 0 | 112.8 | L63 R69 F70 L71 | L63-W67 WeakPolarHBondContact O-CB 3.47Å; L63-W67 PolarHBondContact O-N 3.16Å; W67-R69 VanDerWaalsContact C-N 3.34Å; W67-R69 PolarHBondContact O-N 3.44Å; W67-F70 HydrophobicContact CE3-CD1 4.32Å; W67-F70 HydrophobicContact CZ3-CD1 4.2Å; W67-F70 HydrophobicContact CZ3-CE1 4.42Å; W67-F70 WeakPolarHBondContact O-CB 3.48Å; W67-F70 PolarHBondContact O-N 3.47Å; W67-L71 HydrophobicContact CZ2-CD2 4.29Å; W67-L71 VanDerWaalsContact NE1-CD1 3.33Å; W67-L71 WeakPolarHBondContact O-CG 3.37Å; W67-L71 PolarHBondContact O-N 2.93Å |
| 68 | S | 77.8 | Confident | 76.7 | Confident | 51 Ų | 51 | 92.4 Ų | 92.4 | 36% | 0.357 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 176.4 | 60 | 0 | 0 | 0 | 0 | 112.8 | H64 T65 K72 | H64-S68 WeakPolarHBondContact O-CB 3.39Å; H64-S68 PolarHBondContact O-N 3.38Å; H64-S68 PolarHBondContact O-OG 2.95Å; H64-S68 VanDerWaalsContact O-OG 3.07Å; T65-S68 PolarHBondContact O-OG 2.96Å; S68-K72 VanDerWaalsContact O-CB 3.31Å; S68-K72 WeakPolarHBondContact O-CB 3.42Å; S68-K72 PolarHBondContact O-N 2.93Å |
| 69 | R | 81 | Confident | 79 | Confident | 193 Ų | 193 | 87.6 Ų | 87.6 | 73% | 0.728 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.9 | -40.1 | 174.2 | -68.6 | 177.7 | 95 | 166.6 | 7.3 | 111.8 | T65 A66 W67 K72 G73 | T65-R69 VanDerWaalsContact O-CG 3.3Å; T65-R69 WeakPolarHBondContact O-CG 3.48Å; T65-R69 PolarHBondContact O-N 3.45Å; A66-R69 PolarHBondContact O-N 3.22Å; W67-R69 VanDerWaalsContact C-N 3.34Å; W67-R69 PolarHBondContact O-N 3.44Å; R69-K72 PolarHBondContact O-N 3.39Å; R69-G73 PolarHBondContact O-N 3.15Å |
| 70 | F | 83.8 | Confident | 80.8 | Confident | 123 Ų | 123 | 85.5 Ų | 85.5 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.6 | -52 | 174 | 174.8 | -101.6 | 0 | 0 | 0 | 111.7 | A66 W67 K72 G73 V74 | A66-F70 PolarHBondContact O-N 3.19Å; W67-F70 HydrophobicContact CE3-CD1 4.32Å; W67-F70 HydrophobicContact CZ3-CD1 4.2Å; W67-F70 HydrophobicContact CZ3-CE1 4.42Å; W67-F70 WeakPolarHBondContact O-CB 3.48Å; W67-F70 PolarHBondContact O-N 3.47Å; F70-K72 VanDerWaalsContact C-N 3.27Å; F70-K72 PolarHBondContact O-N 2.93Å; F70-G73 WeakPolarHBondContact O-CA 3.45Å; F70-G73 PolarHBondContact O-N 2.93Å; F70-V74 HydrophobicContact CD1-CG2 4.27Å; F70-V74 HydrophobicContact CE1-CG2 3.83Å; F70-V74 HydrophobicContact CE2-CG2 4.15Å; F70-V74 HydrophobicContact CZ-CG2 3.77Å; F70-V74 WeakPolarHBondContact O-CG2 3.49Å; F70-V74 PolarHBondContact O-N 3.19Å |
| 71 | L | 81.8 | Confident | 82.8 | Confident | 84 Ų | 84 | 82 Ų | 82 | 44% | 0.44 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.8 | -38.7 | 176.9 | -73.9 | 178.1 | 0 | 0 | 0 | 112.4 | W67 G73 V74 S75 | W67-L71 HydrophobicContact CZ2-CD2 4.29Å; W67-L71 VanDerWaalsContact NE1-CD1 3.33Å; W67-L71 WeakPolarHBondContact O-CG 3.37Å; W67-L71 PolarHBondContact O-N 2.93Å; L71-G73 VanDerWaalsContact C-N 3.34Å; L71-V74 PolarHBondContact O-N 2.96Å; L71-S75 PolarHBondContact O-N 3.31Å |
| 72 | K | 80.1 | Confident | 84 | Confident | 134 Ų | 134 | 83.1 Ų | 83.1 | 58% | 0.583 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 173.9 | -170.3 | 173.6 | -177.5 | 177 | 0 | 111.3 | S68 R69 F70 S75 Y76 | S68-K72 VanDerWaalsContact O-CB 3.31Å; S68-K72 WeakPolarHBondContact O-CB 3.42Å; S68-K72 PolarHBondContact O-N 2.93Å; R69-K72 PolarHBondContact O-N 3.39Å; F70-K72 VanDerWaalsContact C-N 3.27Å; F70-K72 PolarHBondContact O-N 2.93Å; K72-S75 PolarHBondContact O-N 3.38Å; K72-S75 PolarHBondContact O-OG 3Å; K72-Y76 HydrophobicContact CG-CE2 4.32Å; K72-Y76 WeakPolarHBondContact O-CD2 3.5Å; K72-Y76 WeakPolarHBondContact O-CE2 3.47Å |
| 73 | G | 81.4 | Confident | 85 | Confident | 34 Ų | 34 | 82.1 Ų | 82.1 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R69 F70 L71 S75 Y76 F77 | R69-G73 PolarHBondContact O-N 3.15Å; F70-G73 WeakPolarHBondContact O-CA 3.45Å; F70-G73 PolarHBondContact O-N 2.93Å; L71-G73 VanDerWaalsContact C-N 3.34Å; G73-S75 VanDerWaalsContact C-N 3.28Å; G73-S75 PolarHBondContact O-N 3.29Å; G73-Y76 PolarHBondContact O-N 3.05Å; G73-F77 WeakPolarHBondContact O-CD1 3.38Å; G73-F77 WeakPolarHBondContact O-CE1 3.38Å |
| 74 | V | 83.9 | Confident | 86 | Confident | 38 Ų | 38 | 78.4 Ų | 78.4 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 177.1 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | F70 L71 Y76 F77 S78 | F70-V74 HydrophobicContact CD1-CG2 4.27Å; F70-V74 HydrophobicContact CE1-CG2 3.83Å; F70-V74 HydrophobicContact CE2-CG2 4.15Å; F70-V74 HydrophobicContact CZ-CG2 3.77Å; F70-V74 WeakPolarHBondContact O-CG2 3.49Å; F70-V74 PolarHBondContact O-N 3.19Å; L71-V74 PolarHBondContact O-N 2.96Å; V74-Y76 PolarHBondContact O-N 3.38Å; V74-F77 VanDerWaalsContact CA-CE1 3.45Å; V74-F77 HydrophobicContact CB-CE1 4.41Å; V74-F77 HydrophobicContact CB-CZ 4.09Å; V74-F77 HydrophobicContact CG1-CE2 4.17Å; V74-F77 HydrophobicContact CG1-CZ 4.11Å; V74-F77 HydrophobicContact CG2-CE1 4.42Å; V74-F77 HydrophobicContact CG2-CZ 3.93Å; V74-F77 PolarHBondContact O-N 2.9Å; V74-S78 PolarHBondContact O-N 3.4Å; V74-S78 PolarHBondContact O-OG 2.92Å |
| 75 | S | 84.1 | Confident | 86.9 | Confident | 68 Ų | 68 | 73.7 Ų | 73.7 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.8 | -178.2 | 76.2 | 0 | 0 | 0 | 0 | 115.2 | L71 K72 G73 | L71-S75 PolarHBondContact O-N 3.31Å; K72-S75 PolarHBondContact O-N 3.38Å; K72-S75 PolarHBondContact O-OG 3Å; G73-S75 VanDerWaalsContact C-N 3.28Å; G73-S75 PolarHBondContact O-N 3.29Å |
| 76 | Y | 87.9 | Confident | 87.8 | Confident | 124 Ų | 124 | 77.4 Ų | 77.4 | 49% | 0.486 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -27 | 176.6 | -77.7 | -83.4 | 0 | 0 | 0 | 113.4 | K72 G73 V74 V83 | K72-Y76 HydrophobicContact CG-CE2 4.32Å; K72-Y76 WeakPolarHBondContact O-CD2 3.5Å; K72-Y76 WeakPolarHBondContact O-CE2 3.47Å; G73-Y76 PolarHBondContact O-N 3.05Å; V74-Y76 PolarHBondContact O-N 3.38Å; Y76-V83 HydrophobicContact CD1-CG1 4.38Å; Y76-V83 HydrophobicContact CE1-CG1 4.14Å |
| 77 | F | 91.4 | Very high | 88.5 | Confident | 88 Ų | 88 | 81 Ų | 81 | 39% | 0.386 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -13.1 | -176.6 | 61.6 | -100.3 | 0 | 0 | 0 | 113.9 | G73 V74 N113 L115 I290 | G73-F77 WeakPolarHBondContact O-CD1 3.38Å; G73-F77 WeakPolarHBondContact O-CE1 3.38Å; V74-F77 VanDerWaalsContact CA-CE1 3.45Å; V74-F77 HydrophobicContact CB-CE1 4.41Å; V74-F77 HydrophobicContact CB-CZ 4.09Å; V74-F77 HydrophobicContact CG1-CE2 4.17Å; V74-F77 HydrophobicContact CG1-CZ 4.11Å; V74-F77 HydrophobicContact CG2-CE1 4.42Å; V74-F77 HydrophobicContact CG2-CZ 3.93Å; V74-F77 PolarHBondContact O-N 2.9Å; F77-N113 PolarHBondContact O-ND2 3.17Å; F77-L115 HydrophobicContact CB-CD2 4.02Å; F77-I290 HydrophobicContact CD2-CG2 4.3Å |
| 78 | S | 93.9 | Very high | 89.3 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -84.5 | 170.8 | 173.2 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | V74 I290 | V74-S78 PolarHBondContact O-N 3.4Å; V74-S78 PolarHBondContact O-OG 2.92Å; S78-I290 VanDerWaalsContact CA-O 3.28Å; S78-I290 WeakPolarHBondContact CA-O 3.36Å; S78-I290 WeakPolarHBondContact CB-O 3.19Å |
| 79 | G | 94.8 | Very high | 90 | Very high | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -136.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N113 S291 | G79-N113 WeakPolarHBondContact O-CB 3.28Å; G79-N113 PolarHBondContact O-ND2 2.96Å; G79-S291 WeakPolarHBondContact CA-O 3.48Å; G79-S291 PolarHBondContact N-O 3.35Å; G79-S291 PolarHBondContact O-OG 3.18Å |
| 80 | D | 95.3 | Very high | 90.7 | Very high | 14 Ų | 14 | 77.7 Ų | 77.7 | 8% | 0.075 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 0.3 | -175.3 | -61.7 | -16.7 | 0 | 0 | 0 | 114.4 | E82 R103 N112 T407 | D80-E82 VanDerWaalsContact C-N 3.34Å; D80-E82 HydrophobicContact CB-CG 4.3Å; D80-E82 PolarHBondContact O-N 2.95Å; D80-R103 PolarHBondContact O-NH1 2.94Å; D80-N112 CarbonylContact C-O 3.12Å; D80-N112 VanDerWaalsContact C-O 3.29Å; D80-N112 WeakPolarHBondContact CA-O 3.5Å; D80-N112 HydrophobicContact CB-CB 4.22Å; D80-T407 WeakPolarHBondContact OD2-CB 3.3Å |
| 81 | M | 96 | Very high | 91.3 | Very high | 22 Ų | 22 | 74.3 Ų | 74.3 | 11% | 0.108 | 37% | 0.365 | C | S | . | . | trans | 49.7 | 47.9 | -174.1 | -62.7 | -178.6 | 61.8 | 0 | 0 | 113.5 | V83 F84 G85 N113 P114 L115 | M81-V83 VanDerWaalsContact C-N 3.29Å; M81-V83 PolarHBondContact O-N 3.29Å; M81-F84 HydrophobicContact CB-CB 4.08Å; M81-F84 HydrophobicContact CE-CB 3.86Å; M81-F84 HydrophobicContact CE-CD1 4.02Å; M81-F84 HydrophobicContact CE-CD2 4.46Å; M81-F84 HydrophobicContact CE-CG 3.87Å; M81-F84 WeakPolarHBondContact O-CB 3.36Å; M81-F84 PolarHBondContact O-N 3.21Å; M81-F84 VanDerWaalsContact O-N 3.07Å; M81-G85 PolarHBondContact O-N 2.96Å; M81-N113 WeakPolarHBondContact CG-ND2 3.45Å; M81-N113 PolarHBondContact SD-OD1 3.15Å; M81-P114 HydrophobicContact CE-CG 4.27Å; M81-P114 HydrophobicContact SD-CG 3.86Å; M81-L115 HydrophobicContact SD-CB 3.97Å | ||
| 82 | E | 92.6 | Very high | 92 | Very high | 97 Ų | 97 | 76.2 Ų | 76.2 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.3 | -37.4 | -174.4 | -66.9 | -178.7 | 178.3 | 0 | 0 | 113.6 | D80 F84 G85 K86 K411 | D80-E82 VanDerWaalsContact C-N 3.34Å; D80-E82 HydrophobicContact CB-CG 4.3Å; D80-E82 PolarHBondContact O-N 2.95Å; E82-F84 VanDerWaalsContact C-N 3.35Å; E82-G85 PolarHBondContact O-N 3.34Å; E82-K86 WeakPolarHBondContact O-CG 3.28Å; E82-K86 PolarHBondContact O-N 3.34Å; E82-K411 IonicContact OE1-NZ 2.67Å; E82-K411 PolarHBondContact OE1-NZ 2.94Å; E82-K411 IonicContact OE2-NZ 2.7Å |
| 83 | V | 93.4 | Very high | 92.7 | Very high | 92 Ų | 92 | 74.9 Ų | 74.9 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 178 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | Y76 M81 K86 W87 | Y76-V83 HydrophobicContact CD1-CG1 4.38Å; Y76-V83 HydrophobicContact CE1-CG1 4.14Å; M81-V83 VanDerWaalsContact C-N 3.29Å; M81-V83 PolarHBondContact O-N 3.29Å; V83-K86 PolarHBondContact O-N 3.45Å; V83-W87 PolarHBondContact O-N 2.9Å; V83-W87 VanDerWaalsContact O-N 3.15Å |
| 84 | F | 94.7 | Very high | 93.5 | Very high | 67 Ų | 67 | 79.3 Ų | 79.3 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 175.2 | -178.4 | -104 | 0 | 0 | 0 | 111.3 | M81 E82 K86 W87 M88 D99 P114 | M81-F84 HydrophobicContact CB-CB 4.08Å; M81-F84 HydrophobicContact CE-CB 3.86Å; M81-F84 HydrophobicContact CE-CD1 4.02Å; M81-F84 HydrophobicContact CE-CD2 4.46Å; M81-F84 HydrophobicContact CE-CG 3.87Å; M81-F84 WeakPolarHBondContact O-CB 3.36Å; M81-F84 PolarHBondContact O-N 3.21Å; M81-F84 VanDerWaalsContact O-N 3.07Å; E82-F84 VanDerWaalsContact C-N 3.35Å; F84-K86 PolarHBondContact O-N 2.94Å; F84-W87 AromaticContact CD2-CE3 3.96Å; F84-W87 HydrophobicContact CD2-CE3 3.96Å; F84-W87 HydrophobicContact CD2-CZ3 4.33Å; F84-W87 AromaticContact CE2-CE3 3.75Å; F84-W87 HydrophobicContact CE2-CE3 3.75Å; F84-W87 AromaticContact CE2-CZ3 3.65Å; F84-W87 HydrophobicContact CE2-CZ3 3.65Å; F84-W87 HydrophobicContact CZ-CE3 4.43Å; F84-W87 HydrophobicContact CZ-CZ3 4.15Å; F84-W87 WeakPolarHBondContact O-CB 3.42Å; F84-W87 PolarHBondContact O-N 3.17Å; F84-W87 VanDerWaalsContact O-N 3.16Å; F84-M88 HydrophobicContact CD1-CE 4.38Å; F84-M88 HydrophobicContact CE1-CE 3.43Å; F84-M88 VanDerWaalsContact CE1-CE 3.43Å; F84-M88 HydrophobicContact CE2-CE 3.94Å; F84-M88 HydrophobicContact CZ-CE 3.17Å; F84-M88 WeakPolarHBondContact O-CB 3.49Å; F84-M88 PolarHBondContact O-N 3.09Å; F84-D99 WeakPolarHBondContact CE1-OD1 3.36Å; F84-P114 HydrophobicContact CD1-CG 3.81Å; F84-P114 HydrophobicContact CE1-CB 4.46Å; F84-P114 HydrophobicContact CE1-CG 3.76Å |
| 85 | G | 94.3 | Very high | 94.1 | Very high | 16 Ų | 16 | 80.2 Ų | 80.2 | 17% | 0.165 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.7 | -48.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M81 E82 W87 M88 E89 | M81-G85 PolarHBondContact O-N 2.96Å; E82-G85 PolarHBondContact O-N 3.34Å; G85-W87 VanDerWaalsContact C-N 3.28Å; G85-W87 PolarHBondContact O-N 3.5Å; G85-M88 WeakPolarHBondContact O-CB 3.48Å; G85-M88 PolarHBondContact O-N 3.26Å; G85-E89 PolarHBondContact O-N 3.47Å; G85-E89 VanDerWaalsContact O-N 3.1Å |
| 86 | K | 94.4 | Very high | 94.7 | Very high | 138 Ų | 138 | 78.8 Ų | 78.8 | 60% | 0.6 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.5 | -33.1 | 176.1 | -71.8 | -178.3 | -179.8 | -178.5 | 0 | 113.5 | E82 V83 F84 | E82-K86 WeakPolarHBondContact O-CG 3.28Å; E82-K86 PolarHBondContact O-N 3.34Å; V83-K86 PolarHBondContact O-N 3.45Å; F84-K86 PolarHBondContact O-N 2.94Å |
| 87 | W | 95.8 | Very high | 95.2 | Very high | 130 Ų | 130 | 74.2 Ų | 74.2 | 49% | 0.492 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.2 | -37.7 | 173.2 | 173.3 | 85 | 0 | 0 | 0 | 111.6 | V83 F84 G85 E89 K90 Q91 | V83-W87 PolarHBondContact O-N 2.9Å; V83-W87 VanDerWaalsContact O-N 3.15Å; F84-W87 AromaticContact CD2-CE3 3.96Å; F84-W87 HydrophobicContact CD2-CE3 3.96Å; F84-W87 HydrophobicContact CD2-CZ3 4.33Å; F84-W87 AromaticContact CE2-CE3 3.75Å; F84-W87 HydrophobicContact CE2-CE3 3.75Å; F84-W87 AromaticContact CE2-CZ3 3.65Å; F84-W87 HydrophobicContact CE2-CZ3 3.65Å; F84-W87 HydrophobicContact CZ-CE3 4.43Å; F84-W87 HydrophobicContact CZ-CZ3 4.15Å; F84-W87 WeakPolarHBondContact O-CB 3.42Å; F84-W87 PolarHBondContact O-N 3.17Å; F84-W87 VanDerWaalsContact O-N 3.16Å; G85-W87 VanDerWaalsContact C-N 3.28Å; G85-W87 PolarHBondContact O-N 3.5Å; W87-E89 VanDerWaalsContact C-N 3.35Å; W87-E89 PolarHBondContact O-N 3.46Å; W87-K90 PolarHBondContact O-N 2.95Å; W87-Q91 HydrophobicContact CD2-CG 4.41Å; W87-Q91 VanDerWaalsContact CE2-NE2 3.35Å; W87-Q91 HydrophobicContact CE3-CG 4.23Å; W87-Q91 HydrophobicContact CH2-CG 3.93Å; W87-Q91 HydrophobicContact CZ2-CG 4.11Å; W87-Q91 HydrophobicContact CZ3-CG 3.99Å; W87-Q91 PolarHBondContact O-NE2 2.93Å |
| 88 | M | 96.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 74.2 Ų | 74.2 | 6% | 0.064 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.2 | -34.2 | -179.7 | -167.6 | 57.9 | 65.1 | 0 | 0 | 112.8 | F84 G85 K90 Q91 L95 Q96 D99 | F84-M88 HydrophobicContact CD1-CE 4.38Å; F84-M88 HydrophobicContact CE1-CE 3.43Å; F84-M88 VanDerWaalsContact CE1-CE 3.43Å; F84-M88 HydrophobicContact CE2-CE 3.94Å; F84-M88 HydrophobicContact CZ-CE 3.17Å; F84-M88 WeakPolarHBondContact O-CB 3.49Å; F84-M88 PolarHBondContact O-N 3.09Å; G85-M88 WeakPolarHBondContact O-CB 3.48Å; G85-M88 PolarHBondContact O-N 3.26Å; M88-K90 PolarHBondContact O-N 2.95Å; M88-Q91 WeakPolarHBondContact O-CB 3.42Å; M88-Q91 PolarHBondContact O-N 3.38Å; M88-Q91 HydrophobicContact SD-CB 4.07Å; M88-Q91 HydrophobicContact SD-CG 4Å; M88-L95 HydrophobicContact SD-CB 4.02Å; M88-Q96 HydrophobicContact CG-CG 4.33Å; M88-Q96 WeakPolarHBondContact O-CG 3.44Å; M88-D99 HydrophobicContact CE-CB 4.07Å; M88-D99 HydrophobicContact CG-CB 3.82Å; M88-D99 HydrophobicContact SD-CB 4.17Å |
| 89 | E | 94 | Very high | 95.8 | Very high | 140 Ų | 140 | 73.2 Ų | 73.2 | 65% | 0.654 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.9 | 176.5 | -73.4 | 172.1 | -172.1 | 0 | 0 | 113.6 | G85 W87 Q96 | G85-E89 PolarHBondContact O-N 3.47Å; G85-E89 VanDerWaalsContact O-N 3.1Å; W87-E89 VanDerWaalsContact C-N 3.35Å; W87-E89 PolarHBondContact O-N 3.46Å; E89-Q96 PolarHBondContact O-NE2 3.4Å |
| 90 | K | 94.9 | Very high | 95.9 | Very high | 179 Ų | 179 | 73.7 Ų | 73.7 | 78% | 0.778 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -4.7 | -179.1 | -57.6 | -178.9 | -176.1 | -179.3 | 0 | 113.6 | W87 M88 | W87-K90 PolarHBondContact O-N 2.95Å; M88-K90 PolarHBondContact O-N 2.95Å |
| 91 | Q | 96.8 | Very high | 96.1 | Very high | 52 Ų | 52 | 73.1 Ų | 73.1 | 24% | 0.243 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -86.4 | 169.4 | -178.4 | -55.6 | -50.9 | -48.7 | 0 | 0 | 111.4 | W87 M88 L95 Q96 | W87-Q91 HydrophobicContact CD2-CG 4.41Å; W87-Q91 VanDerWaalsContact CE2-NE2 3.35Å; W87-Q91 HydrophobicContact CE3-CG 4.23Å; W87-Q91 HydrophobicContact CH2-CG 3.93Å; W87-Q91 HydrophobicContact CZ2-CG 4.11Å; W87-Q91 HydrophobicContact CZ3-CG 3.99Å; W87-Q91 PolarHBondContact O-NE2 2.93Å; M88-Q91 WeakPolarHBondContact O-CB 3.42Å; M88-Q91 PolarHBondContact O-N 3.38Å; M88-Q91 HydrophobicContact SD-CB 4.07Å; M88-Q91 HydrophobicContact SD-CG 4Å; Q91-L95 HydrophobicContact CB-CB 4.21Å; Q91-L95 HydrophobicContact CB-CD1 4.18Å; Q91-Q96 PolarHBondContact O-NE2 2.88Å |
| 92 | F | 96 | Very high | 96.2 | Very high | 124 Ų | 124 | 73.3 Ų | 73.3 | 54% | 0.544 | 35% | 0.352 | S | S | . | . | trans | -71 | 156 | 177.2 | 61.2 | -86.5 | 0 | 0 | 0 | 112.3 | L94 L95 Q96 | F92-L94 VanDerWaalsContact C-N 3.27Å; F92-L94 HydrophobicContact CD2-CB 3.79Å; F92-L94 HydrophobicContact CD2-CG 4.46Å; F92-L94 HydrophobicContact CE2-CB 3.72Å; F92-L94 HydrophobicContact CE2-CD1 4.41Å; F92-L94 PolarHBondContact O-N 3.03Å; F92-L94 VanDerWaalsContact O-N 3.11Å; F92-L95 HydrophobicContact CD1-CD1 3.76Å; F92-L95 HydrophobicContact CD1-CG 4.12Å; F92-L95 HydrophobicContact CD2-CG 4.33Å; F92-L95 HydrophobicContact CE1-CD1 3.17Å; F92-L95 HydrophobicContact CE1-CG 3.53Å; F92-L95 HydrophobicContact CE2-CD1 4.37Å; F92-L95 HydrophobicContact CE2-CG 3.78Å; F92-L95 HydrophobicContact CG-CG 4.49Å; F92-L95 HydrophobicContact CZ-CB 4.44Å; F92-L95 HydrophobicContact CZ-CD1 3.55Å; F92-L95 HydrophobicContact CZ-CD2 4.11Å; F92-L95 HydrophobicContact CZ-CG 3.35Å; F92-L95 PolarHBondContact O-N 3.12Å; F92-Q96 PolarHBondContact O-N 2.67Å | ||
| 93 | L | 95.5 | Very high | 96.5 | Very high | 105 Ų | 105 | 69.1 Ų | 69.1 | 55% | 0.55 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.6 | -35.1 | -169.2 | -176.5 | 64.7 | 0 | 0 | 0 | 114.3 | Q96 L97 W100 | L93-Q96 PolarHBondContact O-N 3.47Å; L93-L97 VanDerWaalsContact O-CB 3.31Å; L93-L97 WeakPolarHBondContact O-CB 3.39Å; L93-L97 PolarHBondContact O-N 2.96Å; L93-W100 HydrophobicContact CD1-CH2 4.08Å; L93-W100 HydrophobicContact CD1-CZ3 4.25Å |
| 94 | L | 96.8 | Very high | 96.8 | Very high | 127 Ų | 127 | 64.7 Ų | 64.7 | 67% | 0.665 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.9 | -36.2 | 179.6 | -65.2 | 171.8 | 0 | 0 | 0 | 112.5 | F92 L97 L98 | F92-L94 VanDerWaalsContact C-N 3.27Å; F92-L94 HydrophobicContact CD2-CB 3.79Å; F92-L94 HydrophobicContact CD2-CG 4.46Å; F92-L94 HydrophobicContact CE2-CB 3.72Å; F92-L94 HydrophobicContact CE2-CD1 4.41Å; F92-L94 PolarHBondContact O-N 3.03Å; F92-L94 VanDerWaalsContact O-N 3.11Å; L94-L97 PolarHBondContact O-N 3.49Å; L94-L98 PolarHBondContact O-N 3.41Å |
| 95 | L | 97.1 | Very high | 97 | Very high | 58 Ų | 58 | 61.5 Ų | 61.5 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 173.2 | -73.7 | 178.8 | 0 | 0 | 0 | 111.4 | M88 Q91 F92 L97 L98 D99 | M88-L95 HydrophobicContact SD-CB 4.02Å; Q91-L95 HydrophobicContact CB-CB 4.21Å; Q91-L95 HydrophobicContact CB-CD1 4.18Å; F92-L95 HydrophobicContact CD1-CD1 3.76Å; F92-L95 HydrophobicContact CD1-CG 4.12Å; F92-L95 HydrophobicContact CD2-CG 4.33Å; F92-L95 HydrophobicContact CE1-CD1 3.17Å; F92-L95 HydrophobicContact CE1-CG 3.53Å; F92-L95 HydrophobicContact CE2-CD1 4.37Å; F92-L95 HydrophobicContact CE2-CG 3.78Å; F92-L95 HydrophobicContact CG-CG 4.49Å; F92-L95 HydrophobicContact CZ-CB 4.44Å; F92-L95 HydrophobicContact CZ-CD1 3.55Å; F92-L95 HydrophobicContact CZ-CD2 4.11Å; F92-L95 HydrophobicContact CZ-CG 3.35Å; F92-L95 PolarHBondContact O-N 3.12Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L95-L97 PolarHBondContact O-N 3.48Å; L95-L98 PolarHBondContact O-N 3.44Å; L95-D99 PolarHBondContact O-N 2.91Å |
| 96 | Q | 97.7 | Very high | 97.2 | Very high | 38 Ų | 38 | 60.8 Ų | 60.8 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 173.8 | -61 | -172.4 | 24.1 | 0 | 0 | 110.7 | M88 E89 Q91 F92 L93 L98 D99 W100 | M88-Q96 HydrophobicContact CG-CG 4.33Å; M88-Q96 WeakPolarHBondContact O-CG 3.44Å; E89-Q96 PolarHBondContact O-NE2 3.4Å; Q91-Q96 PolarHBondContact O-NE2 2.88Å; F92-Q96 PolarHBondContact O-N 2.67Å; L93-Q96 PolarHBondContact O-N 3.47Å; Q96-L98 VanDerWaalsContact C-N 3.32Å; Q96-L98 PolarHBondContact O-N 3.35Å; Q96-D99 WeakPolarHBondContact O-CB 3.41Å; Q96-D99 PolarHBondContact O-N 2.97Å; Q96-W100 HydrophobicContact CB-CD2 4.45Å; Q96-W100 HydrophobicContact CB-CH2 4.14Å; Q96-W100 HydrophobicContact CB-CZ2 3.68Å; Q96-W100 HydrophobicContact CG-CZ2 4.48Å; Q96-W100 VanDerWaalsContact O-CD2 3.31Å; Q96-W100 PolarHBondContact O-N 3.38Å; Q96-W100 PolarHBondContact O-NE1 2.96Å; Q96-W100 VanDerWaalsContact OE1-CZ2 3.23Å |
| 97 | L | 98 | Very high | 97.4 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 178.3 | -173.1 | 63.1 | 0 | 0 | 0 | 111.8 | L93 L94 L95 W100 V101 L140 T143 L147 | L93-L97 VanDerWaalsContact O-CB 3.31Å; L93-L97 WeakPolarHBondContact O-CB 3.39Å; L93-L97 PolarHBondContact O-N 2.96Å; L94-L97 PolarHBondContact O-N 3.49Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L95-L97 PolarHBondContact O-N 3.48Å; L97-W100 HydrophobicContact CD1-CE3 4.17Å; L97-W100 PolarHBondContact O-N 3.48Å; L97-V101 WeakPolarHBondContact O-CB 3.4Å; L97-V101 VanDerWaalsContact O-CG2 3.28Å; L97-V101 WeakPolarHBondContact O-CG2 3.43Å; L97-V101 PolarHBondContact O-N 3.5Å; L97-L140 HydrophobicContact CD1-CD1 4.22Å; L97-L140 HydrophobicContact CD2-CD1 3.65Å; L97-L140 HydrophobicContact CG-CD1 3.92Å; L97-T143 HydrophobicContact CD1-CG2 3.68Å; L97-L147 HydrophobicContact CD1-CD1 4.39Å |
| 98 | L | 98.3 | Very high | 97.5 | Very high | 88 Ų | 88 | 49 Ų | 49 | 46% | 0.461 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 173.8 | 179.4 | 61.9 | 0 | 0 | 0 | 111.5 | L94 L95 Q96 W100 V101 L102 | L94-L98 PolarHBondContact O-N 3.41Å; L95-L98 PolarHBondContact O-N 3.44Å; Q96-L98 VanDerWaalsContact C-N 3.32Å; Q96-L98 PolarHBondContact O-N 3.35Å; L98-W100 VanDerWaalsContact C-N 3.32Å; L98-W100 PolarHBondContact O-N 3.36Å; L98-V101 PolarHBondContact O-N 2.91Å; L98-L102 HydrophobicContact CD1-CD1 4.47Å; L98-L102 HydrophobicContact CD1-CG 4.33Å; L98-L102 HydrophobicContact CG-CD1 4.3Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.5Å; L98-L102 PolarHBondContact O-N 3.4Å |
| 99 | D | 98.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57 | -44.9 | 175.3 | 177.5 | 72 | 0 | 0 | 0 | 111.7 | F84 M88 L95 Q96 V101 L102 R103 P114 | F84-D99 WeakPolarHBondContact CE1-OD1 3.36Å; M88-D99 HydrophobicContact CE-CB 4.07Å; M88-D99 HydrophobicContact CG-CB 3.82Å; M88-D99 HydrophobicContact SD-CB 4.17Å; L95-D99 PolarHBondContact O-N 2.91Å; Q96-D99 WeakPolarHBondContact O-CB 3.41Å; Q96-D99 PolarHBondContact O-N 2.97Å; D99-V101 PolarHBondContact O-N 2.91Å; D99-L102 PolarHBondContact O-N 2.97Å; D99-R103 WeakPolarHBondContact O-CB 3.32Å; D99-R103 WeakPolarHBondContact O-CG 3.46Å; D99-R103 PolarHBondContact O-N 2.95Å; D99-R103 IonicContact OD1-CZ 2.56Å; D99-R103 IonicContact OD1-NE 3.56Å; D99-R103 PolarHBondContact OD1-NE 2.94Å; D99-R103 IonicContact OD1-NH2 3.57Å; D99-R103 WeakPolarHBondContact OD2-CD 3.49Å; D99-R103 IonicContact OD2-CZ 3.59Å; D99-R103 IonicContact OD2-NE 3.71Å; D99-R103 PolarHBondContact OD2-NE 3.23Å; D99-P114 VanDerWaalsContact OD1-CB 3.29Å; D99-P114 WeakPolarHBondContact OD1-CB 3.46Å; D99-P114 WeakPolarHBondContact OD1-CG 3.42Å |
| 100 | W | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 43 Ų | 43 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66 | -36.5 | 179.2 | -55.5 | -12.4 | 0 | 0 | 0 | 112.4 | L93 Q96 L97 L98 G104 T143 L147 I156 A157 | L93-W100 HydrophobicContact CD1-CH2 4.08Å; L93-W100 HydrophobicContact CD1-CZ3 4.25Å; Q96-W100 HydrophobicContact CB-CD2 4.45Å; Q96-W100 HydrophobicContact CB-CH2 4.14Å; Q96-W100 HydrophobicContact CB-CZ2 3.68Å; Q96-W100 HydrophobicContact CG-CZ2 4.48Å; Q96-W100 VanDerWaalsContact O-CD2 3.31Å; Q96-W100 PolarHBondContact O-N 3.38Å; Q96-W100 PolarHBondContact O-NE1 2.96Å; Q96-W100 VanDerWaalsContact OE1-CZ2 3.23Å; L97-W100 HydrophobicContact CD1-CE3 4.17Å; L97-W100 PolarHBondContact O-N 3.48Å; L98-W100 VanDerWaalsContact C-N 3.32Å; L98-W100 PolarHBondContact O-N 3.36Å; W100-G104 PolarHBondContact O-N 3.05Å; W100-T143 HydrophobicContact CB-CG2 4.19Å; W100-T143 HydrophobicContact CE3-CG2 4Å; W100-L147 HydrophobicContact CH2-CD2 4.25Å; W100-L147 HydrophobicContact CZ3-CD1 3.94Å; W100-L147 HydrophobicContact CZ3-CD2 3.73Å; W100-L147 HydrophobicContact CZ3-CG 4.34Å; W100-I156 HydrophobicContact CD2-CG2 3.85Å; W100-I156 HydrophobicContact CE3-CG2 3.54Å; W100-I156 HydrophobicContact CG-CG2 4.4Å; W100-I156 HydrophobicContact CZ3-CG2 3.96Å; W100-A157 VanDerWaalsContact CD1-CA 3.44Å |
| 101 | V | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.3 | -44.6 | 173.6 | 165.8 | 0 | 0 | 0 | 0 | 110.9 | L97 L98 D99 G104 A105 F121 F136 T139 L140 | L97-V101 WeakPolarHBondContact O-CB 3.4Å; L97-V101 VanDerWaalsContact O-CG2 3.28Å; L97-V101 WeakPolarHBondContact O-CG2 3.43Å; L97-V101 PolarHBondContact O-N 3.5Å; L98-V101 PolarHBondContact O-N 2.91Å; D99-V101 PolarHBondContact O-N 2.91Å; V101-G104 PolarHBondContact O-N 3.32Å; V101-A105 PolarHBondContact O-N 3.22Å; V101-F121 HydrophobicContact CG1-CE2 4.05Å; V101-F121 HydrophobicContact CG1-CZ 4.11Å; V101-F136 HydrophobicContact CG1-CD2 3.96Å; V101-F136 HydrophobicContact CG1-CE2 3.98Å; V101-T139 HydrophobicContact CB-CG2 4.23Å; V101-T139 HydrophobicContact CG1-CG2 3.96Å; V101-T139 HydrophobicContact CG2-CG2 4.25Å; V101-L140 HydrophobicContact CG2-CB 4.43Å; V101-L140 HydrophobicContact CG2-CD1 4.24Å |
| 102 | L | 98.8 | Very high | 98.1 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 177.3 | -66.7 | 176.9 | 0 | 0 | 0 | 111.3 | L98 D99 G104 A105 A106 P114 G117 L118 F121 | L98-L102 HydrophobicContact CD1-CD1 4.47Å; L98-L102 HydrophobicContact CD1-CG 4.33Å; L98-L102 HydrophobicContact CG-CD1 4.3Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.5Å; L98-L102 PolarHBondContact O-N 3.4Å; D99-L102 PolarHBondContact O-N 2.97Å; L102-G104 VanDerWaalsContact C-N 3.28Å; L102-G104 PolarHBondContact O-N 3.42Å; L102-A105 WeakPolarHBondContact O-CB 3.43Å; L102-A105 PolarHBondContact O-N 3.25Å; L102-A106 PolarHBondContact O-N 3.03Å; L102-P114 HydrophobicContact CB-CB 3.98Å; L102-P114 HydrophobicContact CD1-CB 4.36Å; L102-G117 WeakPolarHBondContact O-CA 3.47Å; L102-L118 HydrophobicContact CD2-CB 4.26Å; L102-L118 HydrophobicContact CD2-CD1 4.44Å; L102-F121 HydrophobicContact CD2-CD2 3.72Å; L102-F121 HydrophobicContact CD2-CE2 4.09Å |
| 103 | R | 98.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 173 | -70.5 | 171.9 | -177.1 | -83.5 | -1.1 | 111.2 | D80 D99 A105 A106 Q107 N112 P114 A157 | D80-R103 PolarHBondContact O-NH1 2.94Å; D99-R103 WeakPolarHBondContact O-CB 3.32Å; D99-R103 WeakPolarHBondContact O-CG 3.46Å; D99-R103 PolarHBondContact O-N 2.95Å; D99-R103 IonicContact OD1-CZ 2.56Å; D99-R103 IonicContact OD1-NE 3.56Å; D99-R103 PolarHBondContact OD1-NE 2.94Å; D99-R103 IonicContact OD1-NH2 3.57Å; D99-R103 WeakPolarHBondContact OD2-CD 3.49Å; D99-R103 IonicContact OD2-CZ 3.59Å; D99-R103 IonicContact OD2-NE 3.71Å; D99-R103 PolarHBondContact OD2-NE 3.23Å; R103-A105 VanDerWaalsContact C-N 3.32Å; R103-A105 PolarHBondContact O-N 3.29Å; R103-A106 PolarHBondContact O-N 2.89Å; R103-A106 VanDerWaalsContact O-N 3.17Å; R103-Q107 WeakPolarHBondContact O-CB 3.4Å; R103-Q107 VanDerWaalsContact O-CG 3.23Å; R103-Q107 WeakPolarHBondContact O-CG 3.42Å; R103-Q107 PolarHBondContact O-N 3.42Å; R103-N112 WeakPolarHBondContact CD-OD1 3.46Å; R103-N112 PolarHBondContact NH1-O 3.11Å; R103-N112 PolarHBondContact NH1-OD1 3.3Å; R103-P114 HydrophobicContact CG-CB 4.11Å; R103-P114 HydrophobicContact CG-CG 4.45Å; R103-A157 WeakPolarHBondContact CD-O 3.44Å |
| 104 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.3 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | W100 V101 L102 Q107 G159 Y163 | W100-G104 PolarHBondContact O-N 3.05Å; V101-G104 PolarHBondContact O-N 3.32Å; L102-G104 VanDerWaalsContact C-N 3.28Å; L102-G104 PolarHBondContact O-N 3.42Å; G104-Q107 PolarHBondContact O-N 3.01Å; G104-G159 WeakPolarHBondContact CA-O 3.35Å; G104-Y163 WeakPolarHBondContact O-CA 3.13Å; G104-Y163 WeakPolarHBondContact O-CB 3.22Å |
| 105 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V101 L102 R103 I120 F121 I166 Y273 | V101-A105 PolarHBondContact O-N 3.22Å; L102-A105 WeakPolarHBondContact O-CB 3.43Å; L102-A105 PolarHBondContact O-N 3.25Å; R103-A105 VanDerWaalsContact C-N 3.32Å; R103-A105 PolarHBondContact O-N 3.29Å; A105-I120 HydrophobicContact CB-CG2 4.42Å; A105-F121 HydrophobicContact CB-CD2 3.97Å; A105-F121 HydrophobicContact CB-CE2 3.51Å; A105-F121 HydrophobicContact CB-CZ 4.1Å; A105-I166 HydrophobicContact CB-CD1 3.54Å; A105-Y273 WeakPolarHBondContact O-CE1 3.13Å; A105-Y273 PolarHBondContact O-OH 3.42Å |
| 106 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -70.9 | -30 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | L102 R103 V108 M109 V111 I120 | L102-A106 PolarHBondContact O-N 3.03Å; R103-A106 PolarHBondContact O-N 2.89Å; R103-A106 VanDerWaalsContact O-N 3.17Å; A106-V108 PolarHBondContact O-N 3.08Å; A106-V108 VanDerWaalsContact O-N 3.14Å; A106-M109 PolarHBondContact O-N 3.41Å; A106-M109 VanDerWaalsContact O-N 3.1Å; A106-V111 CarbonylContact C-O 3.18Å; A106-V111 HydrophobicContact CB-CB 4Å; A106-V111 HydrophobicContact CB-CG1 3.93Å; A106-V111 WeakPolarHBondContact CB-O 3.38Å; A106-V111 PolarHBondContact O-N 3.28Å; A106-I120 HydrophobicContact CB-CD1 4.08Å |
| 107 | Q | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 15.3 Ų | 15.3 | 9% | 0.093 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.6 | -16.2 | -177.7 | -82.8 | -69.4 | 8.2 | 0 | 0 | 114.4 | R103 G104 M109 F110 V111 A158 L160 Y163 | R103-Q107 WeakPolarHBondContact O-CB 3.4Å; R103-Q107 VanDerWaalsContact O-CG 3.23Å; R103-Q107 WeakPolarHBondContact O-CG 3.42Å; R103-Q107 PolarHBondContact O-N 3.42Å; G104-Q107 PolarHBondContact O-N 3.01Å; Q107-M109 PolarHBondContact O-N 3.03Å; Q107-F110 PolarHBondContact O-N 3.4Å; Q107-V111 WeakPolarHBondContact CA-O 3.45Å; Q107-V111 PolarHBondContact N-O 3Å; Q107-V111 VanDerWaalsContact N-O 3.14Å; Q107-A158 WeakPolarHBondContact CG-O 3.34Å; Q107-A158 PolarHBondContact NE2-O 3.4Å; Q107-L160 HydrophobicContact CG-CD2 4.49Å; Q107-Y163 HydrophobicContact CB-CD1 3.89Å; Q107-Y163 HydrophobicContact CB-CG 4.05Å |
| 108 | V | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -35.6 | 170.9 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | A106 I166 L167 V272 Y273 L331 | A106-V108 PolarHBondContact O-N 3.08Å; A106-V108 VanDerWaalsContact O-N 3.14Å; V108-I166 HydrophobicContact CG2-CG2 3.32Å; V108-L167 HydrophobicContact CG1-CD1 4.1Å; V108-L167 HydrophobicContact CG1-CD2 3.88Å; V108-L167 HydrophobicContact CG1-CG 4.22Å; V108-L167 HydrophobicContact CG2-CD1 4.21Å; V108-L167 HydrophobicContact CG2-CD2 4.14Å; V108-L167 HydrophobicContact CG2-CG 3.87Å; V108-V272 HydrophobicContact CG1-CG1 3.58Å; V108-Y273 HydrophobicContact CB-CE1 3.71Å; V108-Y273 HydrophobicContact CB-CE2 4.42Å; V108-Y273 WeakPolarHBondContact CB-OH 3.39Å; V108-Y273 HydrophobicContact CG1-CD1 4.36Å; V108-Y273 HydrophobicContact CG1-CE1 3.85Å; V108-Y273 HydrophobicContact CG1-CE2 4.08Å; V108-Y273 HydrophobicContact CG2-CD1 4.41Å; V108-Y273 HydrophobicContact CG2-CE1 3.63Å; V108-L331 WeakPolarHBondContact O-CD2 3.33Å |
| 109 | M | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 26.4 | 176.4 | -57.7 | -167.8 | 75 | 0 | 0 | 112.1 | A106 Q107 V111 I269 V272 Y273 L288 A299 V330 L331 I334 | A106-M109 PolarHBondContact O-N 3.41Å; A106-M109 VanDerWaalsContact O-N 3.1Å; Q107-M109 PolarHBondContact O-N 3.03Å; M109-V111 VanDerWaalsContact C-N 3.26Å; M109-V111 PolarHBondContact O-N 3.22Å; M109-I269 HydrophobicContact CE-CG2 4.18Å; M109-I269 HydrophobicContact SD-CG2 4.48Å; M109-V272 HydrophobicContact CE-CG2 4.26Å; M109-V272 HydrophobicContact CG-CG1 3.9Å; M109-V272 HydrophobicContact SD-CG1 4.29Å; M109-Y273 HydrophobicContact CG-CE2 4.01Å; M109-Y273 HydrophobicContact SD-CE2 3.95Å; M109-L288 HydrophobicContact CB-CD2 3.75Å; M109-L288 HydrophobicContact CE-CD1 3.56Å; M109-L288 HydrophobicContact CE-CD2 4.26Å; M109-L288 HydrophobicContact CE-CG 4.42Å; M109-L288 HydrophobicContact CG-CD2 4.45Å; M109-L288 HydrophobicContact SD-CD1 4.03Å; M109-L288 HydrophobicContact SD-CD2 3.96Å; M109-L288 HydrophobicContact SD-CG 4.31Å; M109-A299 HydrophobicContact CE-CB 4.36Å; M109-V330 HydrophobicContact CE-CG1 3.36Å; M109-L331 HydrophobicContact CG-CD2 4.31Å; M109-I334 HydrophobicContact CE-CD1 3.64Å |
| 110 | F | 98.5 | Very high | 98.6 | Very high | 25 Ų | 25 | 15.6 Ų | 15.6 | 11% | 0.11 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 21.9 | 179.2 | -39.4 | -79.4 | 0 | 0 | 0 | 115.6 | Q107 F215 L331 I334 A335 M339 F340 F381 | Q107-F110 PolarHBondContact O-N 3.4Å; F110-F215 AromaticContact CE1-CD1 3.71Å; F110-F215 HydrophobicContact CE1-CD1 3.71Å; F110-F215 AromaticContact CE1-CE1 3.75Å; F110-F215 HydrophobicContact CE1-CE1 3.75Å; F110-F215 HydrophobicContact CZ-CD1 4.23Å; F110-F215 HydrophobicContact CZ-CE1 4.12Å; F110-L331 HydrophobicContact CE2-CD2 4.17Å; F110-I334 HydrophobicContact CD2-CB 4.24Å; F110-I334 HydrophobicContact CD2-CG2 3.51Å; F110-I334 HydrophobicContact CE2-CB 4.26Å; F110-I334 HydrophobicContact CE2-CG2 4.01Å; F110-A335 HydrophobicContact CE2-CB 4.13Å; F110-A335 HydrophobicContact CZ-CB 4.01Å; F110-M339 HydrophobicContact CB-CE 3.68Å; F110-M339 HydrophobicContact CB-CG 4.43Å; F110-M339 WeakPolarHBondContact O-CE 3.44Å; F110-F340 AromaticContact CD1-CE2 3.91Å; F110-F340 HydrophobicContact CD1-CE2 3.91Å; F110-F340 HydrophobicContact CD1-CZ 4.14Å; F110-F340 AromaticContact CE1-CE2 3.89Å; F110-F340 HydrophobicContact CE1-CE2 3.89Å; F110-F340 HydrophobicContact CE1-CZ 4.31Å; F110-F340 HydrophobicContact CZ-CE2 4.45Å; F110-F381 HydrophobicContact CE1-CZ 4.12Å; F110-F381 HydrophobicContact CZ-CE1 4.43Å; F110-F381 AromaticContact CZ-CE2 3.8Å; F110-F381 HydrophobicContact CZ-CE2 3.8Å; F110-F381 AromaticContact CZ-CZ 3.47Å; F110-F381 HydrophobicContact CZ-CZ 3.47Å; F110-F381 VanDerWaalsContact CZ-CZ 3.47Å |
| 111 | V | 98.4 | Very high | 98.6 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.024 | 8% | 0.083 | C | C | . | . | trans | -98.2 | 124.8 | -179.3 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | A106 Q107 M109 N113 L288 S291 T295 | A106-V111 CarbonylContact C-O 3.18Å; A106-V111 HydrophobicContact CB-CB 4Å; A106-V111 HydrophobicContact CB-CG1 3.93Å; A106-V111 WeakPolarHBondContact CB-O 3.38Å; A106-V111 PolarHBondContact O-N 3.28Å; Q107-V111 WeakPolarHBondContact CA-O 3.45Å; Q107-V111 PolarHBondContact N-O 3Å; Q107-V111 VanDerWaalsContact N-O 3.14Å; M109-V111 VanDerWaalsContact C-N 3.26Å; M109-V111 PolarHBondContact O-N 3.22Å; V111-N113 HydrophobicContact CG1-CB 3.54Å; V111-N113 PolarHBondContact O-N 3.31Å; V111-L288 HydrophobicContact CG2-CD2 3.75Å; V111-S291 VanDerWaalsContact CG1-CB 3.48Å; V111-S291 WeakPolarHBondContact CG1-OG 3.38Å; V111-T295 HydrophobicContact CG2-CG2 4.39Å | ||
| 112 | N | 98.2 | Very high | 98.6 | Very high | 30 Ų | 30 | 18.5 Ų | 18.5 | 16% | 0.16 | 10% | 0.104 | C | C | . | . | trans | -98.9 | 59.1 | 175.4 | -173.9 | 11.6 | 0 | 0 | 0 | 111.5 | D80 R103 A158 | D80-N112 CarbonylContact C-O 3.12Å; D80-N112 VanDerWaalsContact C-O 3.29Å; D80-N112 WeakPolarHBondContact CA-O 3.5Å; D80-N112 HydrophobicContact CB-CB 4.22Å; R103-N112 WeakPolarHBondContact CD-OD1 3.46Å; R103-N112 PolarHBondContact NH1-O 3.11Å; R103-N112 PolarHBondContact NH1-OD1 3.3Å; N112-A158 PolarHBondContact OD1-O 3.44Å | ||
| 113 | N | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -136.3 | 116.9 | -173.4 | -173.8 | -50.3 | 0 | 0 | 0 | 111.3 | F77 G79 M81 V111 L115 S116 G117 | F77-N113 PolarHBondContact O-ND2 3.17Å; G79-N113 WeakPolarHBondContact O-CB 3.28Å; G79-N113 PolarHBondContact O-ND2 2.96Å; M81-N113 WeakPolarHBondContact CG-ND2 3.45Å; M81-N113 PolarHBondContact SD-OD1 3.15Å; V111-N113 HydrophobicContact CG1-CB 3.54Å; V111-N113 PolarHBondContact O-N 3.31Å; N113-L115 VanDerWaalsContact C-N 3.33Å; N113-L115 PolarHBondContact O-N 2.87Å; N113-L115 WeakPolarHBondContact OD1-CA 3.42Å; N113-L115 VanDerWaalsContact OD1-CB 3.3Å; N113-L115 WeakPolarHBondContact OD1-CB 3.38Å; N113-L115 PolarHBondContact OD1-N 2.96Å; N113-S116 WeakPolarHBondContact O-CB 3.28Å; N113-S116 PolarHBondContact O-N 2.79Å; N113-S116 PolarHBondContact OD1-N 3.23Å; N113-G117 PolarHBondContact O-N 3.41Å | ||
| 114 | P | 98.3 | Very high | 98.6 | Very high | 7 Ų | 7 | 17 Ų | 17 | 5% | 0.045 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69 | -29.4 | -177.9 | 27.2 | -34.6 | 0 | 0 | 0 | 112.8 | M81 F84 D99 L102 R103 G117 L118 | M81-P114 HydrophobicContact CE-CG 4.27Å; M81-P114 HydrophobicContact SD-CG 3.86Å; F84-P114 HydrophobicContact CD1-CG 3.81Å; F84-P114 HydrophobicContact CE1-CB 4.46Å; F84-P114 HydrophobicContact CE1-CG 3.76Å; D99-P114 VanDerWaalsContact OD1-CB 3.29Å; D99-P114 WeakPolarHBondContact OD1-CB 3.46Å; D99-P114 WeakPolarHBondContact OD1-CG 3.42Å; L102-P114 HydrophobicContact CB-CB 3.98Å; L102-P114 HydrophobicContact CD1-CB 4.36Å; R103-P114 HydrophobicContact CG-CB 4.11Å; R103-P114 HydrophobicContact CG-CG 4.45Å; P114-G117 PolarHBondContact O-N 3.5Å; P114-L118 PolarHBondContact O-N 3.27Å |
| 115 | L | 98.3 | Very high | 98.6 | Very high | 62 Ų | 62 | 20.7 Ų | 20.7 | 33% | 0.325 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -68.3 | -44 | 173.7 | 178.4 | 62.9 | 0 | 0 | 0 | 110.7 | F77 M81 N113 G117 L118 V119 I290 | F77-L115 HydrophobicContact CB-CD2 4.02Å; M81-L115 HydrophobicContact SD-CB 3.97Å; N113-L115 VanDerWaalsContact C-N 3.33Å; N113-L115 PolarHBondContact O-N 2.87Å; N113-L115 WeakPolarHBondContact OD1-CA 3.42Å; N113-L115 VanDerWaalsContact OD1-CB 3.3Å; N113-L115 WeakPolarHBondContact OD1-CB 3.38Å; N113-L115 PolarHBondContact OD1-N 2.96Å; L115-G117 VanDerWaalsContact C-N 3.26Å; L115-G117 PolarHBondContact O-N 3.38Å; L115-L118 HydrophobicContact CD1-CD2 4.47Å; L115-L118 WeakPolarHBondContact O-CB 3.23Å; L115-L118 PolarHBondContact O-N 2.96Å; L115-V119 WeakPolarHBondContact O-CG2 3.23Å; L115-V119 PolarHBondContact O-N 2.87Å; L115-I290 HydrophobicContact CD2-CG2 3.98Å; L115-I290 HydrophobicContact CG-CG2 4.4Å |
| 116 | S | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.4 | -42.5 | 170.9 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | N113 L118 V119 I120 S287 | N113-S116 WeakPolarHBondContact O-CB 3.28Å; N113-S116 PolarHBondContact O-N 2.79Å; N113-S116 PolarHBondContact OD1-N 3.23Å; S116-L118 PolarHBondContact O-N 2.89Å; S116-V119 PolarHBondContact O-N 3.38Å; S116-I120 WeakPolarHBondContact O-CD1 3.37Å; S116-I120 WeakPolarHBondContact O-CG1 3.45Å; S116-I120 PolarHBondContact O-N 2.93Å; S116-S287 WeakPolarHBondContact CA-OG 3.47Å; S116-S287 WeakPolarHBondContact CB-O 3.3Å; S116-S287 WeakPolarHBondContact CB-OG 3.09Å; S116-S287 PolarHBondContact O-OG 3.46Å; S116-S287 PolarHBondContact OG-O 2.92Å |
| 117 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L102 N113 P114 L115 I120 F121 | L102-G117 WeakPolarHBondContact O-CA 3.47Å; N113-G117 PolarHBondContact O-N 3.41Å; P114-G117 PolarHBondContact O-N 3.5Å; L115-G117 VanDerWaalsContact C-N 3.26Å; L115-G117 PolarHBondContact O-N 3.38Å; G117-I120 PolarHBondContact O-N 3.47Å; G117-F121 WeakPolarHBondContact O-CD2 3.43Å; G117-F121 PolarHBondContact O-N 3.13Å |
| 118 | L | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 26.8 Ų | 26.8 | 51% | 0.513 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 175.7 | -179.3 | 66.1 | 0 | 0 | 0 | 111.6 | L102 P114 L115 S116 I120 F121 A122 | L102-L118 HydrophobicContact CD2-CB 4.26Å; L102-L118 HydrophobicContact CD2-CD1 4.44Å; P114-L118 PolarHBondContact O-N 3.27Å; L115-L118 HydrophobicContact CD1-CD2 4.47Å; L115-L118 WeakPolarHBondContact O-CB 3.23Å; L115-L118 PolarHBondContact O-N 2.96Å; S116-L118 PolarHBondContact O-N 2.89Å; L118-I120 VanDerWaalsContact C-N 3.31Å; L118-I120 PolarHBondContact O-N 3.31Å; L118-F121 PolarHBondContact O-N 3.04Å; L118-A122 PolarHBondContact O-N 3.29Å |
| 119 | V | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 34.4 Ų | 34.4 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | L115 S116 A122 G123 I283 I290 | L115-V119 WeakPolarHBondContact O-CG2 3.23Å; L115-V119 PolarHBondContact O-N 2.87Å; S116-V119 PolarHBondContact O-N 3.38Å; V119-A122 WeakPolarHBondContact O-CB 3.3Å; V119-A122 PolarHBondContact O-N 2.94Å; V119-G123 PolarHBondContact O-N 2.7Å; V119-I283 HydrophobicContact CG1-CG2 3.53Å; V119-I283 WeakPolarHBondContact O-CG2 3.31Å; V119-I290 HydrophobicContact CG2-CD1 4.1Å |
| 120 | I | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 173.5 | -74.4 | 155.3 | 0 | 0 | 0 | 110.8 | A105 A106 S116 G117 L118 A122 G123 L124 Y273 F284 S287 | A105-I120 HydrophobicContact CB-CG2 4.42Å; A106-I120 HydrophobicContact CB-CD1 4.08Å; S116-I120 WeakPolarHBondContact O-CD1 3.37Å; S116-I120 WeakPolarHBondContact O-CG1 3.45Å; S116-I120 PolarHBondContact O-N 2.93Å; G117-I120 PolarHBondContact O-N 3.47Å; L118-I120 VanDerWaalsContact C-N 3.31Å; L118-I120 PolarHBondContact O-N 3.31Å; I120-A122 VanDerWaalsContact C-N 3.27Å; I120-A122 PolarHBondContact O-N 2.88Å; I120-G123 CarbonylContact O-C 3.59Å; I120-G123 WeakPolarHBondContact O-CA 3.49Å; I120-G123 PolarHBondContact O-N 3.22Å; I120-L124 HydrophobicContact CG2-CD1 4.16Å; I120-L124 HydrophobicContact CG2-CG 4.32Å; I120-L124 WeakPolarHBondContact O-CG 3.47Å; I120-L124 PolarHBondContact O-N 3.18Å; I120-Y273 WeakPolarHBondContact CD1-OH 3.09Å; I120-Y273 HydrophobicContact CG2-CD1 4.44Å; I120-Y273 HydrophobicContact CG2-CE1 3.85Å; I120-Y273 HydrophobicContact CG2-CE2 4.38Å; I120-F284 HydrophobicContact CB-CD1 4.35Å; I120-F284 HydrophobicContact CB-CE1 4.21Å; I120-F284 HydrophobicContact CG1-CD1 3.95Å; I120-F284 HydrophobicContact CG1-CE1 4.28Å; I120-F284 HydrophobicContact CG2-CD1 4.45Å; I120-F284 HydrophobicContact CG2-CE1 3.96Å; I120-F284 HydrophobicContact CG2-CZ 4.38Å; I120-F284 WeakPolarHBondContact O-CE1 3.28Å; I120-S287 WeakPolarHBondContact CD1-OG 3.48Å; I120-S287 WeakPolarHBondContact CG1-OG 3.3Å |
| 121 | F | 98.8 | Very high | 98.6 | Very high | 21 Ų | 21 | 35 Ų | 35 | 9% | 0.092 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -37.5 | 175.3 | -87.7 | -67.3 | 0 | 0 | 0 | 112.7 | V101 L102 A105 G117 L118 G123 L124 I125 F136 I166 | V101-F121 HydrophobicContact CG1-CE2 4.05Å; V101-F121 HydrophobicContact CG1-CZ 4.11Å; L102-F121 HydrophobicContact CD2-CD2 3.72Å; L102-F121 HydrophobicContact CD2-CE2 4.09Å; A105-F121 HydrophobicContact CB-CD2 3.97Å; A105-F121 HydrophobicContact CB-CE2 3.51Å; A105-F121 HydrophobicContact CB-CZ 4.1Å; G117-F121 WeakPolarHBondContact O-CD2 3.43Å; G117-F121 PolarHBondContact O-N 3.13Å; L118-F121 PolarHBondContact O-N 3.04Å; F121-G123 VanDerWaalsContact C-N 3.32Å; F121-G123 PolarHBondContact O-N 3.5Å; F121-L124 HydrophobicContact CD1-CD1 4.06Å; F121-L124 HydrophobicContact CE1-CD1 4.3Å; F121-L124 PolarHBondContact O-N 2.83Å; F121-I125 WeakPolarHBondContact O-CB 3.45Å; F121-I125 VanDerWaalsContact O-CG1 3.26Å; F121-I125 WeakPolarHBondContact O-CG1 3.49Å; F121-I125 PolarHBondContact O-N 2.99Å; F121-F136 HydrophobicContact CE1-CB 3.87Å; F121-F136 HydrophobicContact CE1-CD2 4.39Å; F121-F136 HydrophobicContact CZ-CB 4.27Å; F121-F136 HydrophobicContact CZ-CD2 4.19Å; F121-I166 HydrophobicContact CE1-CD1 4.2Å; F121-I166 HydrophobicContact CZ-CD1 3.95Å |
| 122 | A | 98.7 | Very high | 98.6 | Very high | 54 Ų | 54 | 35.1 Ų | 35.1 | 45% | 0.446 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | L118 V119 I120 I125 L126 | L118-A122 PolarHBondContact O-N 3.29Å; V119-A122 WeakPolarHBondContact O-CB 3.3Å; V119-A122 PolarHBondContact O-N 2.94Å; I120-A122 VanDerWaalsContact C-N 3.27Å; I120-A122 PolarHBondContact O-N 2.88Å; A122-I125 PolarHBondContact O-N 3.22Å; A122-L126 PolarHBondContact O-N 3.22Å |
| 123 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V119 I120 F121 L126 Q127 T280 | V119-G123 PolarHBondContact O-N 2.7Å; I120-G123 CarbonylContact O-C 3.59Å; I120-G123 WeakPolarHBondContact O-CA 3.49Å; I120-G123 PolarHBondContact O-N 3.22Å; F121-G123 VanDerWaalsContact C-N 3.32Å; F121-G123 PolarHBondContact O-N 3.5Å; G123-L126 WeakPolarHBondContact O-CB 3.43Å; G123-L126 PolarHBondContact O-N 3.12Å; G123-Q127 PolarHBondContact O-N 3.35Å; G123-T280 WeakPolarHBondContact O-CG2 3.48Å; G123-T280 PolarHBondContact O-OG1 3.31Å |
| 124 | L | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -40.7 | 174.7 | -66.6 | 175.5 | 0 | 0 | 0 | 111.6 | I120 F121 L126 Q127 N128 A132 I166 L170 Y273 F284 | I120-L124 HydrophobicContact CG2-CD1 4.16Å; I120-L124 HydrophobicContact CG2-CG 4.32Å; I120-L124 WeakPolarHBondContact O-CG 3.47Å; I120-L124 PolarHBondContact O-N 3.18Å; F121-L124 HydrophobicContact CD1-CD1 4.06Å; F121-L124 HydrophobicContact CE1-CD1 4.3Å; F121-L124 PolarHBondContact O-N 2.83Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-Q127 WeakPolarHBondContact O-CB 3.35Å; L124-Q127 PolarHBondContact O-N 3.08Å; L124-N128 CarbonylContact O-C 3.59Å; L124-N128 PolarHBondContact O-N 3.4Å; L124-A132 HydrophobicContact CB-CB 3.89Å; L124-I166 HydrophobicContact CD1-CD1 3.97Å; L124-L170 HydrophobicContact CD1-CD1 4.3Å; L124-L170 HydrophobicContact CD1-CD2 4.41Å; L124-L170 HydrophobicContact CD2-CD1 4.06Å; L124-L170 HydrophobicContact CD2-CD2 3.93Å; L124-Y273 HydrophobicContact CD2-CD1 4.42Å; L124-Y273 HydrophobicContact CD2-CG 4.38Å; L124-F284 HydrophobicContact CD2-CZ 3.9Å; L124-F284 HydrophobicContact CG-CZ 4.21Å |
| 125 | I | 98.7 | Very high | 98.7 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 40% | 0.4 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 174.9 | -71.1 | 166.6 | 0 | 0 | 0 | 110.7 | F121 A122 Q127 Y129 A132 | F121-I125 WeakPolarHBondContact O-CB 3.45Å; F121-I125 VanDerWaalsContact O-CG1 3.26Å; F121-I125 WeakPolarHBondContact O-CG1 3.49Å; F121-I125 PolarHBondContact O-N 2.99Å; A122-I125 PolarHBondContact O-N 3.22Å; I125-Q127 VanDerWaalsContact C-N 3.29Å; I125-Q127 PolarHBondContact O-N 3.16Å; I125-Y129 HydrophobicContact CG2-CD1 3.77Å; I125-Y129 HydrophobicContact CG2-CE1 3.44Å; I125-Y129 VanDerWaalsContact CG2-CE1 3.44Å; I125-A132 HydrophobicContact CG1-CB 3.88Å |
| 126 | L | 98.6 | Very high | 98.7 | Very high | 89 Ų | 89 | 36.7 Ų | 36.7 | 47% | 0.466 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63 | -35.7 | 174.3 | 179.4 | 66.5 | 0 | 0 | 0 | 112.3 | A122 G123 L124 W279 I283 | A122-L126 PolarHBondContact O-N 3.22Å; G123-L126 WeakPolarHBondContact O-CB 3.43Å; G123-L126 PolarHBondContact O-N 3.12Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L126-W279 HydrophobicContact CD2-CB 3.8Å; L126-I283 HydrophobicContact CD2-CD1 3.55Å |
| 127 | Q | 98.6 | Very high | 98.7 | Very high | 31 Ų | 31 | 37.4 Ų | 37.4 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.1 | -61.8 | 175.8 | 175.3 | 67.9 | 44.2 | 0 | 0 | 110.5 | G123 L124 I125 W131 C275 D276 T280 | G123-Q127 PolarHBondContact O-N 3.35Å; L124-Q127 WeakPolarHBondContact O-CB 3.35Å; L124-Q127 PolarHBondContact O-N 3.08Å; I125-Q127 VanDerWaalsContact C-N 3.29Å; I125-Q127 PolarHBondContact O-N 3.16Å; Q127-W131 HydrophobicContact CG-CE3 3.51Å; Q127-W131 HydrophobicContact CG-CZ3 3.53Å; Q127-W131 VanDerWaalsContact NE2-CZ3 3.32Å; Q127-C275 HydrophobicContact CB-CB 4.3Å; Q127-C275 HydrophobicContact CG-CB 3.89Å; Q127-D276 PolarHBondContact NE2-OD1 3.49Å; Q127-D276 PolarHBondContact OE1-OD1 3.28Å; Q127-T280 HydrophobicContact CB-CG2 4.22Å |
| 128 | N | 98.7 | Very high | 98.7 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | trans | -165.9 | 125.1 | -176.9 | -172.8 | -49.2 | 0 | 0 | 0 | 110.6 | L124 W130 W131 A132 D180 | L124-N128 CarbonylContact O-C 3.59Å; L124-N128 PolarHBondContact O-N 3.4Å; N128-W130 VanDerWaalsContact C-N 3.33Å; N128-W130 PolarHBondContact O-N 3.13Å; N128-W130 WeakPolarHBondContact OD1-CA 3.44Å; N128-W130 VanDerWaalsContact OD1-CB 3.26Å; N128-W130 WeakPolarHBondContact OD1-CB 3.33Å; N128-W130 PolarHBondContact OD1-N 3.4Å; N128-W131 HydrophobicContact CB-CB 4.02Å; N128-W131 HydrophobicContact CB-CD2 3.64Å; N128-W131 HydrophobicContact CB-CE3 4.03Å; N128-W131 HydrophobicContact CB-CG 3.64Å; N128-W131 PolarHBondContact O-N 3.38Å; N128-W131 PolarHBondContact OD1-N 2.91Å; N128-A132 WeakPolarHBondContact O-CB 3.43Å; N128-A132 PolarHBondContact O-N 3.03Å; N128-D180 PolarHBondContact ND2-OD2 3.22Å | ||
| 129 | Y | 98.6 | Very high | 98.8 | Very high | 160 Ų | 160 | 32.8 Ų | 32.8 | 63% | 0.627 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -58.4 | -39.9 | 178.2 | -63.5 | -76.8 | 0 | 0 | 0 | 113.7 | I125 L133 | I125-Y129 HydrophobicContact CG2-CD1 3.77Å; I125-Y129 HydrophobicContact CG2-CE1 3.44Å; I125-Y129 VanDerWaalsContact CG2-CE1 3.44Å; Y129-L133 WeakPolarHBondContact O-CB 3.12Å; Y129-L133 PolarHBondContact O-N 3.45Å |
| 130 | W | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 179.5 | 176 | -118.1 | 0 | 0 | 0 | 111.9 | N128 L133 N134 D180 W181 Y182 W183 L185 L186 | N128-W130 VanDerWaalsContact C-N 3.33Å; N128-W130 PolarHBondContact O-N 3.13Å; N128-W130 WeakPolarHBondContact OD1-CA 3.44Å; N128-W130 VanDerWaalsContact OD1-CB 3.26Å; N128-W130 WeakPolarHBondContact OD1-CB 3.33Å; N128-W130 PolarHBondContact OD1-N 3.4Å; W130-L133 HydrophobicContact CE3-CD2 4.06Å; W130-L133 HydrophobicContact CZ3-CD2 3.95Å; W130-L133 PolarHBondContact O-N 3.04Å; W130-N134 VanDerWaalsContact CD2-ND2 3.29Å; W130-N134 WeakPolarHBondContact CZ2-ND2 3.42Å; W130-N134 PolarHBondContact O-N 3.43Å; W130-N134 PolarHBondContact O-ND2 3.43Å; W130-D180 HydrophobicContact CB-CB 4.04Å; W130-D180 VanDerWaalsContact CD1-OD1 3.24Å; W130-D180 HydrophobicContact CG-CB 4.08Å; W130-W181 VanDerWaalsContact CD2-N 3.31Å; W130-W181 HydrophobicContact CE3-CD2 4.25Å; W130-W181 AromaticContact CE3-CE3 3.79Å; W130-W181 HydrophobicContact CE3-CE3 3.79Å; W130-W181 HydrophobicContact CE3-CZ3 4.27Å; W130-W181 HydrophobicContact CZ3-CE3 4.27Å; W130-Y182 WeakPolarHBondContact CZ2-O 3.32Å; W130-W183 HydrophobicContact CH2-CE3 4.29Å; W130-W183 HydrophobicContact CZ3-CD2 4.34Å; W130-W183 AromaticContact CZ3-CE3 3.94Å; W130-W183 HydrophobicContact CZ3-CE3 3.94Å; W130-W183 HydrophobicContact CZ3-CH2 4.39Å; W130-W183 AromaticContact CZ3-CZ3 3.97Å; W130-W183 HydrophobicContact CZ3-CZ3 3.97Å; W130-L185 HydrophobicContact CZ2-CB 4.13Å; W130-L185 HydrophobicContact CZ2-CD2 4.12Å; W130-L186 HydrophobicContact CH2-CD2 4.2Å; W130-L186 HydrophobicContact CH2-CG 4.22Å |
| 131 | W | 98.6 | Very high | 98.8 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 15% | 0.148 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68 | -45.9 | 176.9 | -58.1 | 1.9 | 0 | 0 | 0 | 110.2 | Q127 N128 L133 N134 G135 L170 A173 V174 D180 G274 | Q127-W131 HydrophobicContact CG-CE3 3.51Å; Q127-W131 HydrophobicContact CG-CZ3 3.53Å; Q127-W131 VanDerWaalsContact NE2-CZ3 3.32Å; N128-W131 HydrophobicContact CB-CB 4.02Å; N128-W131 HydrophobicContact CB-CD2 3.64Å; N128-W131 HydrophobicContact CB-CE3 4.03Å; N128-W131 HydrophobicContact CB-CG 3.64Å; N128-W131 PolarHBondContact O-N 3.38Å; N128-W131 PolarHBondContact OD1-N 2.91Å; W131-L133 VanDerWaalsContact C-N 3.29Å; W131-L133 PolarHBondContact O-N 3.4Å; W131-N134 PolarHBondContact O-N 3.26Å; W131-N134 VanDerWaalsContact O-N 3.15Å; W131-G135 PolarHBondContact O-N 3.25Å; W131-L170 HydrophobicContact CB-CD2 3.97Å; W131-L170 VanDerWaalsContact O-CD2 3.24Å; W131-L170 WeakPolarHBondContact O-CD2 3.47Å; W131-A173 HydrophobicContact CG-CB 4.45Å; W131-V174 HydrophobicContact CD2-CG2 3.83Å; W131-V174 HydrophobicContact CE3-CG2 3.81Å; W131-V174 HydrophobicContact CG-CG2 4.48Å; W131-V174 HydrophobicContact CH2-CG2 4.1Å; W131-V174 HydrophobicContact CZ2-CG2 4.11Å; W131-V174 HydrophobicContact CZ3-CG2 3.95Å; W131-D180 PolarHBondContact NE1-OD1 3.27Å; W131-G274 VanDerWaalsContact CZ3-O 3.28Å; W131-G274 WeakPolarHBondContact CZ3-O 3.15Å |
| 132 | A | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 6% | 0.058 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.5 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L124 I125 N128 G135 F136 | L124-A132 HydrophobicContact CB-CB 3.89Å; I125-A132 HydrophobicContact CG1-CB 3.88Å; N128-A132 WeakPolarHBondContact O-CB 3.43Å; N128-A132 PolarHBondContact O-N 3.03Å; A132-G135 PolarHBondContact O-N 2.98Å; A132-F136 WeakPolarHBondContact O-CB 3.46Å; A132-F136 PolarHBondContact O-N 3.23Å |
| 133 | L | 98.8 | Very high | 98.8 | Very high | 52 Ų | 52 | 32.3 Ų | 32.3 | 27% | 0.272 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.1 | -47.7 | 175.3 | 177.4 | 62.5 | 0 | 0 | 0 | 111.9 | Y129 W130 W131 G135 F136 V137 W181 W183 | Y129-L133 WeakPolarHBondContact O-CB 3.12Å; Y129-L133 PolarHBondContact O-N 3.45Å; W130-L133 HydrophobicContact CE3-CD2 4.06Å; W130-L133 HydrophobicContact CZ3-CD2 3.95Å; W130-L133 PolarHBondContact O-N 3.04Å; W131-L133 VanDerWaalsContact C-N 3.29Å; W131-L133 PolarHBondContact O-N 3.4Å; L133-G135 VanDerWaalsContact C-N 3.35Å; L133-G135 PolarHBondContact O-N 3.49Å; L133-F136 PolarHBondContact O-N 2.82Å; L133-V137 HydrophobicContact CD1-CG2 4.23Å; L133-V137 WeakPolarHBondContact O-CG2 3.28Å; L133-V137 PolarHBondContact O-N 3.49Å; L133-W181 HydrophobicContact CD2-CZ3 4.47Å; L133-W183 HydrophobicContact CD2-CH2 3.92Å; L133-W183 HydrophobicContact CD2-CZ3 3.77Å |
| 134 | N | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 179.4 | -84.9 | -88 | 0 | 0 | 0 | 112.1 | W130 W131 V137 G138 G169 A173 L186 N189 | W130-N134 VanDerWaalsContact CD2-ND2 3.29Å; W130-N134 WeakPolarHBondContact CZ2-ND2 3.42Å; W130-N134 PolarHBondContact O-N 3.43Å; W130-N134 PolarHBondContact O-ND2 3.43Å; W131-N134 PolarHBondContact O-N 3.26Å; W131-N134 VanDerWaalsContact O-N 3.15Å; N134-V137 PolarHBondContact O-N 3.35Å; N134-G138 PolarHBondContact O-N 3.28Å; N134-G169 WeakPolarHBondContact CB-O 3.36Å; N134-G169 WeakPolarHBondContact O-CA 3.3Å; N134-A173 HydrophobicContact CB-CB 4.04Å; N134-L186 WeakPolarHBondContact OD1-CD2 3.15Å; N134-N189 PolarHBondContact O-ND2 2.89Å; N134-N189 PolarHBondContact OD1-ND2 2.8Å |
| 135 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W131 A132 L133 G138 T139 | W131-G135 PolarHBondContact O-N 3.25Å; A132-G135 PolarHBondContact O-N 2.98Å; L133-G135 VanDerWaalsContact C-N 3.35Å; L133-G135 PolarHBondContact O-N 3.49Å; G135-G138 PolarHBondContact O-N 3Å; G135-T139 PolarHBondContact O-N 2.87Å; G135-T139 PolarHBondContact O-OG1 2.87Å |
| 136 | F | 98.9 | Very high | 98.7 | Very high | 79 Ų | 79 | 31.2 Ų | 31.2 | 35% | 0.346 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.7 | -50.1 | 175.1 | 173.3 | -98.5 | 0 | 0 | 0 | 111.6 | V101 F121 A132 L133 G138 T139 L140 | V101-F136 HydrophobicContact CG1-CD2 3.96Å; V101-F136 HydrophobicContact CG1-CE2 3.98Å; F121-F136 HydrophobicContact CE1-CB 3.87Å; F121-F136 HydrophobicContact CE1-CD2 4.39Å; F121-F136 HydrophobicContact CZ-CB 4.27Å; F121-F136 HydrophobicContact CZ-CD2 4.19Å; A132-F136 WeakPolarHBondContact O-CB 3.46Å; A132-F136 PolarHBondContact O-N 3.23Å; L133-F136 PolarHBondContact O-N 2.82Å; F136-G138 VanDerWaalsContact C-N 3.32Å; F136-G138 PolarHBondContact O-N 2.94Å; F136-T139 PolarHBondContact O-N 3.27Å; F136-L140 HydrophobicContact CE1-CD2 4.02Å; F136-L140 HydrophobicContact CZ-CD2 4.24Å; F136-L140 VanDerWaalsContact O-CB 3.3Å; F136-L140 WeakPolarHBondContact O-CB 3.21Å; F136-L140 PolarHBondContact O-N 3.42Å |
| 137 | V | 98.9 | Very high | 98.7 | Very high | 16 Ų | 16 | 28.4 Ų | 28.4 | 10% | 0.097 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.7 | -46.4 | 176.8 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | L133 N134 T139 L140 F141 L186 I190 | L133-V137 HydrophobicContact CD1-CG2 4.23Å; L133-V137 WeakPolarHBondContact O-CG2 3.28Å; L133-V137 PolarHBondContact O-N 3.49Å; N134-V137 PolarHBondContact O-N 3.35Å; V137-T139 PolarHBondContact O-N 3.37Å; V137-L140 PolarHBondContact O-N 2.91Å; V137-F141 HydrophobicContact CG1-CD2 3.83Å; V137-F141 HydrophobicContact CG1-CE2 4.14Å; V137-F141 WeakPolarHBondContact O-CD2 3.43Å; V137-F141 PolarHBondContact O-N 2.92Å; V137-L186 HydrophobicContact CG1-CD2 4.45Å; V137-L186 HydrophobicContact CG2-CD2 4.29Å; V137-I190 HydrophobicContact CG1-CD1 4.24Å; V137-I190 HydrophobicContact CG1-CG1 3.6Å |
| 138 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N134 G135 F136 L140 A142 G165 S193 | N134-G138 PolarHBondContact O-N 3.28Å; G135-G138 PolarHBondContact O-N 3Å; F136-G138 VanDerWaalsContact C-N 3.32Å; F136-G138 PolarHBondContact O-N 2.94Å; G138-L140 PolarHBondContact O-N 3.4Å; G138-A142 VanDerWaalsContact O-CB 3.25Å; G138-A142 WeakPolarHBondContact O-CB 3.24Å; G138-A142 PolarHBondContact O-N 3.38Å; G138-G165 VanDerWaalsContact C-C 3.49Å; G138-G165 CarbonylContact C-O 3.5Å; G138-G165 WeakPolarHBondContact CA-O 3.4Å; G138-S193 WeakPolarHBondContact CA-OG 3.25Å; G138-S193 WeakPolarHBondContact O-CB 3.32Å |
| 139 | T | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.1 | -44 | 0 | 0 | 0 | 0 | 111.8 | V101 G135 F136 V137 T143 I166 | V101-T139 HydrophobicContact CB-CG2 4.23Å; V101-T139 HydrophobicContact CG1-CG2 3.96Å; V101-T139 HydrophobicContact CG2-CG2 4.25Å; G135-T139 PolarHBondContact O-N 2.87Å; G135-T139 PolarHBondContact O-OG1 2.87Å; F136-T139 PolarHBondContact O-N 3.27Å; V137-T139 PolarHBondContact O-N 3.37Å; T139-T143 WeakPolarHBondContact O-CB 3.44Å; T139-T143 PolarHBondContact O-N 3.31Å; T139-T143 PolarHBondContact O-OG1 3.06Å; T139-I166 WeakPolarHBondContact OG1-CA 3.07Å; T139-I166 WeakPolarHBondContact OG1-CB 3.49Å; T139-I166 WeakPolarHBondContact OG1-CG1 3.48Å |
| 140 | L | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 18% | 0.183 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -50.5 | -178.3 | 177.6 | 63.3 | 0 | 0 | 0 | 110.8 | L97 V101 F136 V137 G138 T143 I144 | L97-L140 HydrophobicContact CD1-CD1 4.22Å; L97-L140 HydrophobicContact CD2-CD1 3.65Å; L97-L140 HydrophobicContact CG-CD1 3.92Å; V101-L140 HydrophobicContact CG2-CB 4.43Å; V101-L140 HydrophobicContact CG2-CD1 4.24Å; F136-L140 HydrophobicContact CE1-CD2 4.02Å; F136-L140 HydrophobicContact CZ-CD2 4.24Å; F136-L140 VanDerWaalsContact O-CB 3.3Å; F136-L140 WeakPolarHBondContact O-CB 3.21Å; F136-L140 PolarHBondContact O-N 3.42Å; V137-L140 PolarHBondContact O-N 2.91Å; G138-L140 PolarHBondContact O-N 3.4Å; L140-T143 WeakPolarHBondContact O-CB 3.44Å; L140-T143 PolarHBondContact O-N 2.93Å; L140-I144 HydrophobicContact CD1-CD1 3.95Å; L140-I144 HydrophobicContact CD1-CG1 4.39Å; L140-I144 HydrophobicContact CG-CD1 3.86Å; L140-I144 VanDerWaalsContact O-CG1 3.3Å; L140-I144 WeakPolarHBondContact O-CG1 3.48Å; L140-I144 PolarHBondContact O-N 3.44Å |
| 141 | F | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 36.6 Ų | 36.6 | 26% | 0.263 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -74.9 | -28.9 | -176.8 | -82.1 | -87.1 | 0 | 0 | 0 | 113.4 | V137 S145 I190 M194 | V137-F141 HydrophobicContact CG1-CD2 3.83Å; V137-F141 HydrophobicContact CG1-CE2 4.14Å; V137-F141 WeakPolarHBondContact O-CD2 3.43Å; V137-F141 PolarHBondContact O-N 2.92Å; F141-S145 VanDerWaalsContact O-CB 3.26Å; F141-S145 WeakPolarHBondContact O-CB 3.36Å; F141-S145 PolarHBondContact O-N 3.28Å; F141-I190 HydrophobicContact CB-CG2 4.31Å; F141-I190 HydrophobicContact CD1-CG1 4.41Å; F141-I190 HydrophobicContact CD1-CG2 3.55Å; F141-I190 HydrophobicContact CD2-CD1 4.3Å; F141-I190 HydrophobicContact CD2-CG1 3.75Å; F141-I190 HydrophobicContact CD2-CG2 4.39Å; F141-I190 HydrophobicContact CE1-CD1 4.46Å; F141-I190 HydrophobicContact CE1-CG1 4.49Å; F141-I190 HydrophobicContact CE1-CG2 3.86Å; F141-I190 HydrophobicContact CE2-CD1 3.87Å; F141-I190 HydrophobicContact CE2-CG1 3.85Å; F141-I190 HydrophobicContact CG-CB 4.38Å; F141-I190 HydrophobicContact CG-CG1 4.03Å; F141-I190 HydrophobicContact CG-CG2 3.83Å; F141-I190 HydrophobicContact CZ-CD1 3.95Å; F141-I190 HydrophobicContact CZ-CG1 4.22Å; F141-I190 HydrophobicContact CZ-CG2 4.39Å; F141-M194 HydrophobicContact CB-CG 4.06Å; F141-M194 HydrophobicContact CD1-CG 4.39Å; F141-M194 HydrophobicContact CD1-SD 4.19Å |
| 142 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G138 S145 A146 Y161 S193 C196 P197 | G138-A142 VanDerWaalsContact O-CB 3.25Å; G138-A142 WeakPolarHBondContact O-CB 3.24Å; G138-A142 PolarHBondContact O-N 3.38Å; A142-S145 PolarHBondContact O-N 2.93Å; A142-A146 PolarHBondContact O-N 3.07Å; A142-Y161 WeakPolarHBondContact CB-O 3.06Å; A142-S193 WeakPolarHBondContact CA-O 3.37Å; A142-S193 WeakPolarHBondContact CB-O 3.5Å; A142-C196 HydrophobicContact CB-CB 4.32Å; A142-P197 WeakPolarHBondContact O-CG 3.4Å |
| 143 | T | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.6 | -45 | 177 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | L97 W100 T139 L140 S145 A146 L147 I156 | L97-T143 HydrophobicContact CD1-CG2 3.68Å; W100-T143 HydrophobicContact CB-CG2 4.19Å; W100-T143 HydrophobicContact CE3-CG2 4Å; T139-T143 WeakPolarHBondContact O-CB 3.44Å; T139-T143 PolarHBondContact O-N 3.31Å; T139-T143 PolarHBondContact O-OG1 3.06Å; L140-T143 WeakPolarHBondContact O-CB 3.44Å; L140-T143 PolarHBondContact O-N 2.93Å; T143-S145 PolarHBondContact O-N 3.46Å; T143-A146 PolarHBondContact O-N 3.41Å; T143-L147 WeakPolarHBondContact O-CG 3.49Å; T143-L147 PolarHBondContact O-N 2.89Å; T143-L147 VanDerWaalsContact O-N 3.09Å; T143-I156 HydrophobicContact CG2-CG2 4.01Å |
| 144 | I | 98.6 | Very high | 98.2 | Very high | 50 Ų | 50 | 44.6 Ų | 44.6 | 26% | 0.256 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 174.8 | -69.5 | 167.7 | 0 | 0 | 0 | 110.8 | L140 A146 L147 I148 | L140-I144 HydrophobicContact CD1-CD1 3.95Å; L140-I144 HydrophobicContact CD1-CG1 4.39Å; L140-I144 HydrophobicContact CG-CD1 3.86Å; L140-I144 VanDerWaalsContact O-CG1 3.3Å; L140-I144 WeakPolarHBondContact O-CG1 3.48Å; L140-I144 PolarHBondContact O-N 3.44Å; I144-A146 VanDerWaalsContact C-N 3.32Å; I144-A146 PolarHBondContact O-N 3.41Å; I144-L147 WeakPolarHBondContact O-CB 3.47Å; I144-L147 PolarHBondContact O-N 2.99Å; I144-L147 VanDerWaalsContact O-N 3.12Å; I144-I148 HydrophobicContact CG2-CD1 3.8Å; I144-I148 HydrophobicContact CG2-CG1 4.37Å; I144-I148 WeakPolarHBondContact O-CG1 3.32Å; I144-I148 PolarHBondContact O-N 2.91Å |
| 145 | S | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 176.6 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | F141 A142 T143 L147 I148 L149 M194 | F141-S145 VanDerWaalsContact O-CB 3.26Å; F141-S145 WeakPolarHBondContact O-CB 3.36Å; F141-S145 PolarHBondContact O-N 3.28Å; A142-S145 PolarHBondContact O-N 2.93Å; T143-S145 PolarHBondContact O-N 3.46Å; S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 3.33Å; S145-I148 PolarHBondContact O-N 3.41Å; S145-L149 WeakPolarHBondContact O-CB 3.42Å; S145-L149 VanDerWaalsContact O-CG 3.3Å; S145-L149 WeakPolarHBondContact O-CG 3.32Å; S145-L149 PolarHBondContact O-N 2.93Å; S145-M194 WeakPolarHBondContact CB-O 3.45Å; S145-M194 PolarHBondContact OG-O 2.92Å |
| 146 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -34.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A142 T143 I144 Q150 Q151 I156 Y161 P197 | A142-A146 PolarHBondContact O-N 3.07Å; T143-A146 PolarHBondContact O-N 3.41Å; I144-A146 VanDerWaalsContact C-N 3.32Å; I144-A146 PolarHBondContact O-N 3.41Å; A146-Q150 PolarHBondContact O-N 3.06Å; A146-Q151 HydrophobicContact CB-CB 4.3Å; A146-Q151 HydrophobicContact CB-CG 4.29Å; A146-Q151 PolarHBondContact O-N 3.34Å; A146-I156 HydrophobicContact CB-CD1 3.94Å; A146-I156 HydrophobicContact CB-CG1 3.96Å; A146-Y161 HydrophobicContact CB-CD1 4.03Å; A146-Y161 HydrophobicContact CB-CD2 4.16Å; A146-Y161 HydrophobicContact CB-CG 3.67Å; A146-P197 HydrophobicContact CB-CB 4.09Å; A146-P197 HydrophobicContact CB-CG 3.9Å |
| 147 | L | 98.3 | Very high | 98 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.6 | -45 | 173.4 | -65.9 | 168 | 0 | 0 | 0 | 112.1 | L97 W100 T143 I144 S145 L149 Q150 R153 I156 | L97-L147 HydrophobicContact CD1-CD1 4.39Å; W100-L147 HydrophobicContact CH2-CD2 4.25Å; W100-L147 HydrophobicContact CZ3-CD1 3.94Å; W100-L147 HydrophobicContact CZ3-CD2 3.73Å; W100-L147 HydrophobicContact CZ3-CG 4.34Å; T143-L147 WeakPolarHBondContact O-CG 3.49Å; T143-L147 PolarHBondContact O-N 2.89Å; T143-L147 VanDerWaalsContact O-N 3.09Å; I144-L147 WeakPolarHBondContact O-CB 3.47Å; I144-L147 PolarHBondContact O-N 2.99Å; I144-L147 VanDerWaalsContact O-N 3.12Å; S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 3.33Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 PolarHBondContact O-N 3.46Å; L147-Q150 PolarHBondContact O-N 3.5Å; L147-Q150 VanDerWaalsContact O-N 3.12Å; L147-R153 VanDerWaalsContact CD2-CZ 3.49Å; L147-I156 HydrophobicContact CD2-CD1 3.89Å; L147-I156 HydrophobicContact CD2-CG2 4.32Å; L147-I156 HydrophobicContact CG-CD1 4.33Å |
| 148 | I | 98.4 | Very high | 97.9 | Very high | 114 Ų | 114 | 43.6 Ų | 43.6 | 59% | 0.585 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.9 | -42.4 | 177.1 | -67.5 | 167.4 | 0 | 0 | 0 | 110.2 | I144 S145 Q150 | I144-I148 HydrophobicContact CG2-CD1 3.8Å; I144-I148 HydrophobicContact CG2-CG1 4.37Å; I144-I148 WeakPolarHBondContact O-CG1 3.32Å; I144-I148 PolarHBondContact O-N 2.91Å; S145-I148 PolarHBondContact O-N 3.41Å; I148-Q150 PolarHBondContact O-N 2.94Å |
| 149 | L | 98.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 37% | 0.372 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 6.6 | 178.1 | -65.4 | 170.7 | 0 | 0 | 0 | 113.8 | S145 L147 Q151 P197 I198 | S145-L149 WeakPolarHBondContact O-CB 3.42Å; S145-L149 VanDerWaalsContact O-CG 3.3Å; S145-L149 WeakPolarHBondContact O-CG 3.32Å; S145-L149 PolarHBondContact O-N 2.93Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 PolarHBondContact O-N 3.46Å; L149-Q151 HydrophobicContact CB-CG 4.18Å; L149-Q151 PolarHBondContact O-N 3.37Å; L149-Q151 VanDerWaalsContact O-N 3.14Å; L149-Q151 PolarHBondContact O-NE2 3.04Å; L149-P197 HydrophobicContact CD1-CB 4.11Å; L149-I198 HydrophobicContact CD1-CD1 4.32Å; L149-I198 HydrophobicContact CD1-CG1 3.55Å |
| 150 | Q | 97.8 | Very high | 97.8 | Very high | 167 Ų | 167 | 47.2 Ų | 47.2 | 78% | 0.78 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 39.5 | 178.2 | -57.2 | -175.3 | 2.8 | 0 | 0 | 113.9 | A146 L147 I148 | A146-Q150 PolarHBondContact O-N 3.06Å; L147-Q150 PolarHBondContact O-N 3.5Å; L147-Q150 VanDerWaalsContact O-N 3.12Å; I148-Q150 PolarHBondContact O-N 2.94Å |
| 151 | Q | 97.8 | Very high | 97.8 | Very high | 40 Ų | 40 | 47 Ų | 47 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | trans | -67.7 | 164.1 | 175.4 | -60.2 | -58.3 | -65.3 | 0 | 0 | 111.3 | A146 L149 R153 I156 Y161 | A146-Q151 HydrophobicContact CB-CB 4.3Å; A146-Q151 HydrophobicContact CB-CG 4.29Å; A146-Q151 PolarHBondContact O-N 3.34Å; L149-Q151 HydrophobicContact CB-CG 4.18Å; L149-Q151 PolarHBondContact O-N 3.37Å; L149-Q151 VanDerWaalsContact O-N 3.14Å; L149-Q151 PolarHBondContact O-NE2 3.04Å; Q151-R153 PolarHBondContact O-N 2.99Å; Q151-R153 VanDerWaalsContact O-N 3.13Å; Q151-I156 HydrophobicContact CB-CD1 4.29Å; Q151-Y161 HydrophobicContact CB-CD2 4.19Å; Q151-Y161 HydrophobicContact CB-CE1 4.32Å; Q151-Y161 HydrophobicContact CB-CE2 3.59Å; Q151-Y161 HydrophobicContact CG-CE1 4.01Å; Q151-Y161 HydrophobicContact CG-CE2 4.19Å; Q151-Y161 PolarHBondContact OE1-OH 3.34Å | ||
| 152 | S | 96.1 | Very high | 97.7 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 52% | 0.524 | 24% | 0.243 | S | C | . | . | trans | -49.4 | 120.1 | -178.1 | 170.6 | 0 | 0 | 0 | 0 | 112.2 | G154 A155 I156 | S152-G154 VanDerWaalsContact C-N 3.29Å; S152-G154 PolarHBondContact O-N 3.36Å; S152-A155 PolarHBondContact O-N 3.08Å; S152-A155 VanDerWaalsContact O-N 3.1Å; S152-A155 PolarHBondContact OG-N 3.18Å; S152-I156 WeakPolarHBondContact O-CG1 3.48Å; S152-I156 PolarHBondContact O-N 3.47Å | ||
| 153 | R | 95.5 | Very high | 97.7 | Very high | 141 Ų | 141 | 45.1 Ų | 45.1 | 53% | 0.532 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.9 | -37.3 | -179.5 | -70 | -67.8 | 179.7 | 155.8 | -4.7 | 112.6 | L147 Q151 I156 A157 | L147-R153 VanDerWaalsContact CD2-CZ 3.49Å; Q151-R153 PolarHBondContact O-N 2.99Å; Q151-R153 VanDerWaalsContact O-N 3.13Å; R153-I156 PolarHBondContact O-N 3Å; R153-A157 VanDerWaalsContact O-CB 3.26Å; R153-A157 WeakPolarHBondContact O-CB 3.49Å; R153-A157 PolarHBondContact O-N 3.24Å |
| 154 | G | 95.8 | Very high | 97.7 | Very high | 50 Ų | 50 | 45 Ų | 45 | 52% | 0.515 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S152 A157 A158 | S152-G154 VanDerWaalsContact C-N 3.29Å; S152-G154 PolarHBondContact O-N 3.36Å; G154-A157 PolarHBondContact O-N 3.3Å; G154-A158 WeakPolarHBondContact O-CB 3.42Å; G154-A158 PolarHBondContact O-N 3.33Å |
| 155 | A | 96.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.8 | -38.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S152 A158 G159 L160 Y161 | S152-A155 PolarHBondContact O-N 3.08Å; S152-A155 VanDerWaalsContact O-N 3.1Å; S152-A155 PolarHBondContact OG-N 3.18Å; A155-A158 PolarHBondContact O-N 3.11Å; A155-G159 PolarHBondContact O-N 3.22Å; A155-L160 HydrophobicContact CB-CB 4.37Å; A155-L160 HydrophobicContact CB-CD1 4.09Å; A155-L160 WeakPolarHBondContact O-CB 3.46Å; A155-L160 PolarHBondContact O-N 3.39Å; A155-Y161 HydrophobicContact CB-CD2 4.2Å; A155-Y161 HydrophobicContact CB-CE2 3.88Å |
| 156 | I | 98 | Very high | 97.7 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 171.8 | -65.8 | 171.3 | 0 | 0 | 0 | 109.8 | W100 T143 A146 L147 Q151 S152 R153 A158 G159 Y161 | W100-I156 HydrophobicContact CD2-CG2 3.85Å; W100-I156 HydrophobicContact CE3-CG2 3.54Å; W100-I156 HydrophobicContact CG-CG2 4.4Å; W100-I156 HydrophobicContact CZ3-CG2 3.96Å; T143-I156 HydrophobicContact CG2-CG2 4.01Å; A146-I156 HydrophobicContact CB-CD1 3.94Å; A146-I156 HydrophobicContact CB-CG1 3.96Å; L147-I156 HydrophobicContact CD2-CD1 3.89Å; L147-I156 HydrophobicContact CD2-CG2 4.32Å; L147-I156 HydrophobicContact CG-CD1 4.33Å; Q151-I156 HydrophobicContact CB-CD1 4.29Å; S152-I156 WeakPolarHBondContact O-CG1 3.48Å; S152-I156 PolarHBondContact O-N 3.47Å; R153-I156 PolarHBondContact O-N 3Å; I156-A158 VanDerWaalsContact C-N 3.26Å; I156-A158 PolarHBondContact O-N 2.92Å; I156-G159 WeakPolarHBondContact O-CA 3.08Å; I156-G159 PolarHBondContact O-N 3.4Å; I156-Y161 HydrophobicContact CG1-CD2 3.77Å; I156-Y161 HydrophobicContact CG1-CE2 4.49Å; I156-Y161 HydrophobicContact CG1-CG 4.48Å |
| 157 | A | 97.6 | Very high | 97.8 | Very high | 33 Ų | 33 | 42.4 Ų | 42.4 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64 | -30.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W100 R103 R153 G154 G159 | W100-A157 VanDerWaalsContact CD1-CA 3.44Å; R103-A157 WeakPolarHBondContact CD-O 3.44Å; R153-A157 VanDerWaalsContact O-CB 3.26Å; R153-A157 WeakPolarHBondContact O-CB 3.49Å; R153-A157 PolarHBondContact O-N 3.24Å; G154-A157 PolarHBondContact O-N 3.3Å; A157-G159 PolarHBondContact O-N 3.17Å |
| 158 | A | 97.4 | Very high | 97.8 | Very high | 19 Ų | 19 | 41 Ų | 41 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q107 N112 G154 A155 I156 L160 | Q107-A158 WeakPolarHBondContact CG-O 3.34Å; Q107-A158 PolarHBondContact NE2-O 3.4Å; N112-A158 PolarHBondContact OD1-O 3.44Å; G154-A158 WeakPolarHBondContact O-CB 3.42Å; G154-A158 PolarHBondContact O-N 3.33Å; A155-A158 PolarHBondContact O-N 3.11Å; I156-A158 VanDerWaalsContact C-N 3.26Å; I156-A158 PolarHBondContact O-N 2.92Å; A158-L160 VanDerWaalsContact C-N 3.33Å; A158-L160 HydrophobicContact CB-CD1 4.47Å; A158-L160 HydrophobicContact CB-CG 4.19Å; A158-L160 PolarHBondContact O-N 2.95Å |
| 159 | G | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 6.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G104 A155 I156 A157 Y161 G162 Y163 | G104-G159 WeakPolarHBondContact CA-O 3.35Å; A155-G159 PolarHBondContact O-N 3.22Å; I156-G159 WeakPolarHBondContact O-CA 3.08Å; I156-G159 PolarHBondContact O-N 3.4Å; A157-G159 PolarHBondContact O-N 3.17Å; G159-Y161 PolarHBondContact O-N 2.88Å; G159-Y161 VanDerWaalsContact O-N 3.13Å; G159-G162 PolarHBondContact O-N 3.44Å; G159-Y163 PolarHBondContact O-N 3.48Å |
| 160 | L | 97.6 | Very high | 97.8 | Very high | 76 Ų | 76 | 32.2 Ų | 32.2 | 40% | 0.398 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.2 | -173.8 | -64.2 | 177 | 0 | 0 | 0 | 113.9 | Q107 A155 A158 Y163 | Q107-L160 HydrophobicContact CG-CD2 4.49Å; A155-L160 HydrophobicContact CB-CB 4.37Å; A155-L160 HydrophobicContact CB-CD1 4.09Å; A155-L160 WeakPolarHBondContact O-CB 3.46Å; A155-L160 PolarHBondContact O-N 3.39Å; A158-L160 VanDerWaalsContact C-N 3.33Å; A158-L160 HydrophobicContact CB-CD1 4.47Å; A158-L160 HydrophobicContact CB-CG 4.19Å; A158-L160 PolarHBondContact O-N 2.95Å; L160-Y163 HydrophobicContact CD2-CE1 4.5Å; L160-Y163 WeakPolarHBondContact O-CD1 3.49Å; L160-Y163 WeakPolarHBondContact O-CE1 3.33Å |
| 161 | Y | 98.3 | Very high | 97.9 | Very high | 30 Ų | 30 | 24.9 Ų | 24.9 | 12% | 0.118 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -5.5 | 174 | -77.7 | -73.5 | 0 | 0 | 0 | 113.9 | A142 A146 Q151 A155 I156 G159 P197 | A142-Y161 WeakPolarHBondContact CB-O 3.06Å; A146-Y161 HydrophobicContact CB-CD1 4.03Å; A146-Y161 HydrophobicContact CB-CD2 4.16Å; A146-Y161 HydrophobicContact CB-CG 3.67Å; Q151-Y161 HydrophobicContact CB-CD2 4.19Å; Q151-Y161 HydrophobicContact CB-CE1 4.32Å; Q151-Y161 HydrophobicContact CB-CE2 3.59Å; Q151-Y161 HydrophobicContact CG-CE1 4.01Å; Q151-Y161 HydrophobicContact CG-CE2 4.19Å; Q151-Y161 PolarHBondContact OE1-OH 3.34Å; A155-Y161 HydrophobicContact CB-CD2 4.2Å; A155-Y161 HydrophobicContact CB-CE2 3.88Å; I156-Y161 HydrophobicContact CG1-CD2 3.77Å; I156-Y161 HydrophobicContact CG1-CE2 4.49Å; I156-Y161 HydrophobicContact CG1-CG 4.48Å; G159-Y161 PolarHBondContact O-N 2.88Å; G159-Y161 VanDerWaalsContact O-N 3.13Å; Y161-P197 HydrophobicContact CD1-CB 3.6Å; Y161-P197 HydrophobicContact CD1-CG 4.02Å; Y161-P197 HydrophobicContact CE1-CB 3.93Å |
| 162 | G | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -36.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G159 N164 G165 I166 | G159-G162 PolarHBondContact O-N 3.44Å; G162-N164 PolarHBondContact O-N 2.98Å; G162-G165 WeakPolarHBondContact O-CA 3.42Å; G162-G165 PolarHBondContact O-N 2.94Å; G162-I166 PolarHBondContact O-N 2.97Å |
| 163 | Y | 98.6 | Very high | 98 | Very high | 20 Ų | 20 | 19.7 Ų | 19.7 | 8% | 0.078 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.9 | -27.5 | -168.7 | 75.7 | -93 | 0 | 0 | 0 | 115.2 | G104 Q107 G159 L160 G165 I166 F215 T216 | G104-Y163 WeakPolarHBondContact O-CA 3.13Å; G104-Y163 WeakPolarHBondContact O-CB 3.22Å; Q107-Y163 HydrophobicContact CB-CD1 3.89Å; Q107-Y163 HydrophobicContact CB-CG 4.05Å; G159-Y163 PolarHBondContact O-N 3.48Å; L160-Y163 HydrophobicContact CD2-CE1 4.5Å; L160-Y163 WeakPolarHBondContact O-CD1 3.49Å; L160-Y163 WeakPolarHBondContact O-CE1 3.33Å; Y163-G165 VanDerWaalsContact C-N 3.33Å; Y163-I166 WeakPolarHBondContact O-CG2 3.5Å; Y163-F215 WeakPolarHBondContact CE2-O 3.24Å; Y163-F215 PolarHBondContact OH-O 3.4Å; Y163-T216 HydrophobicContact CD2-CG2 4.24Å; Y163-T216 HydrophobicContact CE2-CG2 4.03Å |
| 164 | N | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.8 | -36.3 | 170.9 | -80.2 | -73.3 | 0 | 0 | 0 | 110.5 | G162 L167 V168 C196 F215 T216 P218 F219 | G162-N164 PolarHBondContact O-N 2.98Å; N164-L167 PolarHBondContact O-N 2.84Å; N164-V168 WeakPolarHBondContact O-CG2 2.98Å; N164-V168 PolarHBondContact O-N 3.36Å; N164-C196 HydrophobicContact CB-CB 4Å; N164-F215 PolarHBondContact ND2-O 2.84Å; N164-T216 VanDerWaalsContact OD1-CA 3.3Å; N164-T216 WeakPolarHBondContact OD1-CA 3.4Å; N164-P218 HydrophobicContact CB-CB 4.08Å; N164-P218 WeakPolarHBondContact OD1-CD 3.39Å; N164-F219 HydrophobicContact CB-CB 4.22Å; N164-F219 VanDerWaalsContact OD1-CB 3.25Å; N164-F219 WeakPolarHBondContact OD1-CB 3.33Å; N164-F219 PolarHBondContact OD1-N 3.28Å |
| 165 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G138 G162 Y163 L167 V168 G169 | G138-G165 VanDerWaalsContact C-C 3.49Å; G138-G165 CarbonylContact C-O 3.5Å; G138-G165 WeakPolarHBondContact CA-O 3.4Å; G162-G165 WeakPolarHBondContact O-CA 3.42Å; G162-G165 PolarHBondContact O-N 2.94Å; Y163-G165 VanDerWaalsContact C-N 3.33Å; G165-L167 VanDerWaalsContact C-N 3.32Å; G165-L167 PolarHBondContact O-N 3.49Å; G165-V168 PolarHBondContact O-N 2.86Å; G165-G169 PolarHBondContact O-N 3.46Å |
| 166 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 177 | -159.5 | 169.7 | 0 | 0 | 0 | 111.3 | A105 V108 F121 L124 T139 G162 Y163 G169 L170 Y273 | A105-I166 HydrophobicContact CB-CD1 3.54Å; V108-I166 HydrophobicContact CG2-CG2 3.32Å; F121-I166 HydrophobicContact CE1-CD1 4.2Å; F121-I166 HydrophobicContact CZ-CD1 3.95Å; L124-I166 HydrophobicContact CD1-CD1 3.97Å; T139-I166 WeakPolarHBondContact OG1-CA 3.07Å; T139-I166 WeakPolarHBondContact OG1-CB 3.49Å; T139-I166 WeakPolarHBondContact OG1-CG1 3.48Å; G162-I166 PolarHBondContact O-N 2.97Å; Y163-I166 WeakPolarHBondContact O-CG2 3.5Å; I166-G169 PolarHBondContact O-N 2.7Å; I166-L170 HydrophobicContact CG1-CD1 3.9Å; I166-L170 HydrophobicContact CG1-CG 4.39Å; I166-L170 WeakPolarHBondContact O-CB 3.2Å; I166-L170 VanDerWaalsContact O-CG 3.24Å; I166-L170 WeakPolarHBondContact O-CG 3.48Å; I166-L170 PolarHBondContact O-N 3.37Å; I166-Y273 HydrophobicContact CG2-CE1 4.44Å |
| 167 | L | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.9 | -40.5 | 179.7 | -67.3 | 176.2 | 0 | 0 | 0 | 111.6 | V108 N164 G165 G169 L170 L171 T216 F219 V272 Y273 | V108-L167 HydrophobicContact CG1-CD1 4.1Å; V108-L167 HydrophobicContact CG1-CD2 3.88Å; V108-L167 HydrophobicContact CG1-CG 4.22Å; V108-L167 HydrophobicContact CG2-CD1 4.21Å; V108-L167 HydrophobicContact CG2-CD2 4.14Å; V108-L167 HydrophobicContact CG2-CG 3.87Å; N164-L167 PolarHBondContact O-N 2.84Å; G165-L167 VanDerWaalsContact C-N 3.32Å; G165-L167 PolarHBondContact O-N 3.49Å; L167-G169 PolarHBondContact O-N 3.27Å; L167-L170 PolarHBondContact O-N 3.41Å; L167-L171 HydrophobicContact CB-CD2 4.31Å; L167-L171 HydrophobicContact CD2-CD2 4.2Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 WeakPolarHBondContact O-CD2 3.46Å; L167-L171 PolarHBondContact O-N 3.34Å; L167-T216 HydrophobicContact CD1-CG2 3.58Å; L167-F219 HydrophobicContact CB-CB 4.11Å; L167-F219 HydrophobicContact CB-CD1 4.22Å; L167-F219 HydrophobicContact CB-CD2 3.29Å; L167-F219 HydrophobicContact CB-CE2 3.63Å; L167-F219 HydrophobicContact CB-CG 3.59Å; L167-F219 HydrophobicContact CB-CZ 4.25Å; L167-F219 HydrophobicContact CD1-CB 4.3Å; L167-F219 HydrophobicContact CD1-CD1 3.89Å; L167-F219 HydrophobicContact CD1-CD2 4.44Å; L167-F219 HydrophobicContact CD1-CE1 4.33Å; L167-F219 HydrophobicContact CD1-CG 3.93Å; L167-F219 HydrophobicContact CG-CD2 4.49Å; L167-F219 HydrophobicContact CG-CG 4.44Å; L167-F219 WeakPolarHBondContact O-CE2 3.31Å; L167-V272 WeakPolarHBondContact CD2-O 3.14Å; L167-Y273 HydrophobicContact CD2-CD1 4.4Å |
| 168 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57 | -51.7 | 173.9 | 166.9 | 0 | 0 | 0 | 0 | 110.1 | N164 G165 M172 M192 F219 L222 V223 | N164-V168 WeakPolarHBondContact O-CG2 2.98Å; N164-V168 PolarHBondContact O-N 3.36Å; G165-V168 PolarHBondContact O-N 2.86Å; V168-M172 HydrophobicContact CG1-CG 4.39Å; V168-M172 HydrophobicContact CG1-SD 3.63Å; V168-M172 VanDerWaalsContact O-CB 3.28Å; V168-M172 WeakPolarHBondContact O-CB 3.29Å; V168-M172 WeakPolarHBondContact O-CG 3.16Å; V168-M172 PolarHBondContact O-N 2.85Å; V168-M192 HydrophobicContact CG1-CB 3.67Å; V168-F219 HydrophobicContact CG2-CB 4.34Å; V168-F219 HydrophobicContact CG2-CD2 4.09Å; V168-L222 HydrophobicContact CG2-CB 4.17Å; V168-V223 HydrophobicContact CB-CG2 4.35Å; V168-V223 HydrophobicContact CG2-CG2 4.04Å |
| 169 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N134 G165 I166 L167 A173 N189 | N134-G169 WeakPolarHBondContact CB-O 3.36Å; N134-G169 WeakPolarHBondContact O-CA 3.3Å; G165-G169 PolarHBondContact O-N 3.46Å; I166-G169 PolarHBondContact O-N 2.7Å; L167-G169 PolarHBondContact O-N 3.27Å; G169-A173 PolarHBondContact O-N 3.44Å; G169-N189 WeakPolarHBondContact CA-ND2 3.42Å; G169-N189 VanDerWaalsContact CA-OD1 3.32Å; G169-N189 WeakPolarHBondContact CA-OD1 3.45Å |
| 170 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.7 | -52.8 | 178.8 | -74.6 | 166.9 | 0 | 0 | 0 | 111.8 | L124 W131 I166 L167 M172 A173 V174 Y273 | L124-L170 HydrophobicContact CD1-CD1 4.3Å; L124-L170 HydrophobicContact CD1-CD2 4.41Å; L124-L170 HydrophobicContact CD2-CD1 4.06Å; L124-L170 HydrophobicContact CD2-CD2 3.93Å; W131-L170 HydrophobicContact CB-CD2 3.97Å; W131-L170 VanDerWaalsContact O-CD2 3.24Å; W131-L170 WeakPolarHBondContact O-CD2 3.47Å; I166-L170 HydrophobicContact CG1-CD1 3.9Å; I166-L170 HydrophobicContact CG1-CG 4.39Å; I166-L170 WeakPolarHBondContact O-CB 3.2Å; I166-L170 VanDerWaalsContact O-CG 3.24Å; I166-L170 WeakPolarHBondContact O-CG 3.48Å; I166-L170 PolarHBondContact O-N 3.37Å; L167-L170 PolarHBondContact O-N 3.41Å; L170-M172 PolarHBondContact O-N 3.4Å; L170-A173 WeakPolarHBondContact O-CB 3.36Å; L170-A173 PolarHBondContact O-N 2.99Å; L170-A173 VanDerWaalsContact O-N 3.09Å; L170-V174 WeakPolarHBondContact O-CG2 3.2Å; L170-V174 PolarHBondContact O-N 3.5Å; L170-Y273 HydrophobicContact CD1-CD1 3.78Å; L170-Y273 HydrophobicContact CD1-CG 4.4Å |
| 171 | L | 98.4 | Very high | 98.2 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.068 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -76.6 | -25.2 | -172.3 | -76.3 | -51 | 0 | 0 | 0 | 112.6 | L167 A173 V174 F175 F219 V223 | L167-L171 HydrophobicContact CB-CD2 4.31Å; L167-L171 HydrophobicContact CD2-CD2 4.2Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 WeakPolarHBondContact O-CD2 3.46Å; L167-L171 PolarHBondContact O-N 3.34Å; L171-A173 VanDerWaalsContact C-N 3.28Å; L171-A173 PolarHBondContact O-N 3.43Å; L171-V174 HydrophobicContact CD1-CB 4.17Å; L171-V174 HydrophobicContact CD1-CG1 4.37Å; L171-V174 HydrophobicContact CD1-CG2 4.35Å; L171-V174 PolarHBondContact O-N 3.04Å; L171-F175 HydrophobicContact CB-CD2 4.06Å; L171-F175 HydrophobicContact CB-CE2 3.99Å; L171-F175 HydrophobicContact CD1-CD2 4.45Å; L171-F175 HydrophobicContact CD1-CE2 3.79Å; L171-F175 HydrophobicContact CD1-CZ 4.27Å; L171-F175 HydrophobicContact CG-CE2 4.16Å; L171-F175 WeakPolarHBondContact O-CB 3.26Å; L171-F175 WeakPolarHBondContact O-CD2 3.28Å; L171-F175 PolarHBondContact O-N 3.22Å; L171-F219 HydrophobicContact CB-CE2 3.94Å; L171-F219 HydrophobicContact CB-CZ 4.42Å; L171-F219 HydrophobicContact CD2-CE2 3.79Å; L171-F219 HydrophobicContact CD2-CZ 3.94Å; L171-F219 HydrophobicContact CG-CE2 3.83Å; L171-F219 HydrophobicContact CG-CZ 3.89Å; L171-V223 HydrophobicContact CB-CG1 4.42Å; L171-V223 HydrophobicContact CB-CG2 4.4Å |
| 172 | M | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -35 | 166.9 | -74.7 | -179.9 | 62 | 0 | 0 | 112 | V168 L170 S176 L185 P188 N189 M192 | V168-M172 HydrophobicContact CG1-CG 4.39Å; V168-M172 HydrophobicContact CG1-SD 3.63Å; V168-M172 VanDerWaalsContact O-CB 3.28Å; V168-M172 WeakPolarHBondContact O-CB 3.29Å; V168-M172 WeakPolarHBondContact O-CG 3.16Å; V168-M172 PolarHBondContact O-N 2.85Å; L170-M172 PolarHBondContact O-N 3.4Å; M172-S176 VanDerWaalsContact O-CB 3.32Å; M172-S176 WeakPolarHBondContact O-CB 3.37Å; M172-S176 PolarHBondContact O-N 2.91Å; M172-L185 HydrophobicContact CE-CD1 4.39Å; M172-P188 VanDerWaalsContact CE-C 3.49Å; M172-P188 HydrophobicContact CE-CB 3.76Å; M172-P188 HydrophobicContact CE-CG 3.88Å; M172-N189 HydrophobicContact CE-CB 4.15Å; M172-N189 VanDerWaalsContact CE-N 3.35Å; M172-N189 HydrophobicContact SD-CB 4.32Å; M172-M192 HydrophobicContact SD-CB 4.08Å; M172-M192 HydrophobicContact SD-CG 4.15Å |
| 173 | A | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.5 | -46.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W131 N134 G169 L170 L171 F175 S176 L185 | W131-A173 HydrophobicContact CG-CB 4.45Å; N134-A173 HydrophobicContact CB-CB 4.04Å; G169-A173 PolarHBondContact O-N 3.44Å; L170-A173 WeakPolarHBondContact O-CB 3.36Å; L170-A173 PolarHBondContact O-N 2.99Å; L170-A173 VanDerWaalsContact O-N 3.09Å; L171-A173 VanDerWaalsContact C-N 3.28Å; L171-A173 PolarHBondContact O-N 3.43Å; A173-F175 VanDerWaalsContact C-N 3.34Å; A173-F175 PolarHBondContact O-N 3.32Å; A173-S176 PolarHBondContact O-N 2.86Å; A173-L185 HydrophobicContact CB-CD2 4.19Å |
| 174 | V | 98.2 | Very high | 98.2 | Very high | 38 Ų | 38 | 39.5 Ų | 39.5 | 23% | 0.23 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 179.7 | 171.2 | 0 | 0 | 0 | 0 | 112.1 | W131 L170 L171 | W131-V174 HydrophobicContact CD2-CG2 3.83Å; W131-V174 HydrophobicContact CE3-CG2 3.81Å; W131-V174 HydrophobicContact CG-CG2 4.48Å; W131-V174 HydrophobicContact CH2-CG2 4.1Å; W131-V174 HydrophobicContact CZ2-CG2 4.11Å; W131-V174 HydrophobicContact CZ3-CG2 3.95Å; L170-V174 WeakPolarHBondContact O-CG2 3.2Å; L170-V174 PolarHBondContact O-N 3.5Å; L171-V174 HydrophobicContact CD1-CB 4.17Å; L171-V174 HydrophobicContact CD1-CG1 4.37Å; L171-V174 HydrophobicContact CD1-CG2 4.35Å; L171-V174 PolarHBondContact O-N 3.04Å |
| 175 | F | 98.2 | Very high | 98.1 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 16% | 0.158 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 2.3 | -178.4 | -63.3 | -54.8 | 0 | 0 | 0 | 114.4 | L171 A173 V223 M227 Q239 V240 P375 | L171-F175 HydrophobicContact CB-CD2 4.06Å; L171-F175 HydrophobicContact CB-CE2 3.99Å; L171-F175 HydrophobicContact CD1-CD2 4.45Å; L171-F175 HydrophobicContact CD1-CE2 3.79Å; L171-F175 HydrophobicContact CD1-CZ 4.27Å; L171-F175 HydrophobicContact CG-CE2 4.16Å; L171-F175 WeakPolarHBondContact O-CB 3.26Å; L171-F175 WeakPolarHBondContact O-CD2 3.28Å; L171-F175 PolarHBondContact O-N 3.22Å; A173-F175 VanDerWaalsContact C-N 3.34Å; A173-F175 PolarHBondContact O-N 3.32Å; F175-V223 HydrophobicContact CD2-CG1 4.46Å; F175-M227 HydrophobicContact CB-CE 3.78Å; F175-M227 HydrophobicContact CB-SD 3.99Å; F175-M227 HydrophobicContact CD1-CE 4.34Å; F175-M227 HydrophobicContact CD2-CE 4.31Å; F175-M227 HydrophobicContact CD2-SD 3.72Å; F175-M227 HydrophobicContact CE2-SD 4.43Å; F175-M227 HydrophobicContact CG-CE 3.9Å; F175-M227 HydrophobicContact CG-SD 3.92Å; F175-Q239 CarbonylContact O-C 3.48Å; F175-Q239 VanDerWaalsContact O-CA 3.31Å; F175-Q239 WeakPolarHBondContact O-CA 3.33Å; F175-Q239 PolarHBondContact O-OE1 2.94Å; F175-V240 WeakPolarHBondContact O-CG2 3.47Å; F175-V240 PolarHBondContact O-N 3.38Å; F175-P375 HydrophobicContact CD2-CG 4.17Å; F175-P375 HydrophobicContact CE1-CB 4.04Å; F175-P375 HydrophobicContact CE1-CG 4.16Å; F175-P375 HydrophobicContact CE2-CB 4.1Å; F175-P375 HydrophobicContact CE2-CG 3.59Å; F175-P375 HydrophobicContact CZ-CB 3.58Å; F175-P375 HydrophobicContact CZ-CG 3.6Å |
| 176 | S | 98.1 | Very high | 98.1 | Very high | 8 Ų | 8 | 41 Ų | 41 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -78.5 | 123 | 175.5 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | M172 A173 A178 | M172-S176 VanDerWaalsContact O-CB 3.32Å; M172-S176 WeakPolarHBondContact O-CB 3.37Å; M172-S176 PolarHBondContact O-N 2.91Å; A173-S176 PolarHBondContact O-N 2.86Å; S176-A178 PolarHBondContact O-N 3.27Å; S176-A178 PolarHBondContact OG-N 3.39Å |
| 177 | N | 97.5 | Very high | 98.1 | Very high | 91 Ų | 91 | 45.8 Ų | 45.8 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -4.4 | 173.1 | -163.5 | 51.4 | 0 | 0 | 0 | 112.7 | G179 P238 | N177-G179 PolarHBondContact O-N 3Å; N177-P238 HydrophobicContact CB-CB 4.22Å; N177-P238 HydrophobicContact CB-CG 4.39Å; N177-P238 WeakPolarHBondContact CB-O 3.46Å; N177-P238 PolarHBondContact N-O 3.16Å |
| 178 | A | 96.9 | Very high | 98.1 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -12.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S176 Y182 P238 | S176-A178 PolarHBondContact O-N 3.27Å; S176-A178 PolarHBondContact OG-N 3.39Å; A178-Y182 HydrophobicContact CB-CD1 3.58Å; A178-Y182 HydrophobicContact CB-CD2 4Å; A178-Y182 HydrophobicContact CB-CE1 4.12Å; A178-Y182 HydrophobicContact CB-CE2 4.48Å; A178-Y182 HydrophobicContact CB-CG 3.53Å; A178-P238 HydrophobicContact CB-CG 4.46Å |
| 179 | G | 94.6 | Very high | 98.1 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 33% | 0.33 | 23% | 0.227 | S | C | . | . | trans | 78.4 | -171.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N177 | N177-G179 PolarHBondContact O-N 3Š| ||
| 180 | D | 97.6 | Very high | 98.1 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | 150.6 | -177.3 | -71.2 | -12.7 | 0 | 0 | 0 | 112.3 | N128 W130 W131 Y182 | N128-D180 PolarHBondContact ND2-OD2 3.22Å; W130-D180 HydrophobicContact CB-CB 4.04Å; W130-D180 VanDerWaalsContact CD1-OD1 3.24Å; W130-D180 HydrophobicContact CG-CB 4.08Å; W131-D180 PolarHBondContact NE1-OD1 3.27Å; D180-Y182 PolarHBondContact O-N 3.37Å |
| 181 | W | 98.3 | Very high | 98.1 | Very high | 129 Ų | 129 | 54.3 Ų | 54.3 | 49% | 0.489 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 17.2 | 178 | -50.4 | 101.3 | 0 | 0 | 0 | 115.3 | W130 L133 W183 | W130-W181 VanDerWaalsContact CD2-N 3.31Å; W130-W181 HydrophobicContact CE3-CD2 4.25Å; W130-W181 AromaticContact CE3-CE3 3.79Å; W130-W181 HydrophobicContact CE3-CE3 3.79Å; W130-W181 HydrophobicContact CE3-CZ3 4.27Å; W130-W181 HydrophobicContact CZ3-CE3 4.27Å; L133-W181 HydrophobicContact CD2-CZ3 4.47Å; W181-W183 VanDerWaalsContact C-N 3.29Å; W181-W183 HydrophobicContact CE3-CH2 4.01Å; W181-W183 AromaticContact CE3-CZ2 3.62Å; W181-W183 HydrophobicContact CE3-CZ2 3.62Å; W181-W183 AromaticContact CZ3-CH2 4Å; W181-W183 HydrophobicContact CZ3-CH2 4Å; W181-W183 AromaticContact CZ3-CZ2 3.97Å; W181-W183 HydrophobicContact CZ3-CZ2 3.97Å; W181-W183 PolarHBondContact O-N 3.38Å |
| 182 | Y | 98.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | trans | -72.2 | 83 | 167.6 | -173.7 | -114.1 | 0 | 0 | 0 | 110.7 | W130 A178 D180 W184 L185 H236 F237 | W130-Y182 WeakPolarHBondContact CZ2-O 3.32Å; A178-Y182 HydrophobicContact CB-CD1 3.58Å; A178-Y182 HydrophobicContact CB-CD2 4Å; A178-Y182 HydrophobicContact CB-CE1 4.12Å; A178-Y182 HydrophobicContact CB-CE2 4.48Å; A178-Y182 HydrophobicContact CB-CG 3.53Å; D180-Y182 PolarHBondContact O-N 3.37Å; Y182-W184 HydrophobicContact CD1-CB 4.27Å; Y182-W184 HydrophobicContact CE1-CB 3.63Å; Y182-W184 HydrophobicContact CE2-CB 4.27Å; Y182-W184 AromaticContact CE2-CD1 3.84Å; Y182-W184 HydrophobicContact CE2-CG 4.45Å; Y182-W184 AromaticContact CZ-CD1 3.88Å; Y182-W184 PolarHBondContact O-N 3.3Å; Y182-L185 HydrophobicContact CD1-CB 4.09Å; Y182-L185 WeakPolarHBondContact O-CB 3.31Å; Y182-L185 PolarHBondContact O-N 2.96Å; Y182-H236 VanDerWaalsContact CE1-O 3.23Å; Y182-H236 WeakPolarHBondContact CE1-O 3.33Å; Y182-H236 VanDerWaalsContact CZ-O 3.27Å; Y182-H236 PolarHBondContact OH-O 2.87Å; Y182-F237 HydrophobicContact CE1-CD1 4.02Å; Y182-F237 HydrophobicContact CE1-CE1 4.16Å | ||
| 183 | W | 98.4 | Very high | 98.1 | Very high | 144 Ų | 144 | 54.2 Ų | 54.2 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -54 | -29.8 | -172 | -69.2 | 106.5 | 0 | 0 | 0 | 115.4 | W130 L133 W181 L185 L186 | W130-W183 HydrophobicContact CH2-CE3 4.29Å; W130-W183 HydrophobicContact CZ3-CD2 4.34Å; W130-W183 AromaticContact CZ3-CE3 3.94Å; W130-W183 HydrophobicContact CZ3-CE3 3.94Å; W130-W183 HydrophobicContact CZ3-CH2 4.39Å; W130-W183 AromaticContact CZ3-CZ3 3.97Å; W130-W183 HydrophobicContact CZ3-CZ3 3.97Å; L133-W183 HydrophobicContact CD2-CH2 3.92Å; L133-W183 HydrophobicContact CD2-CZ3 3.77Å; W181-W183 VanDerWaalsContact C-N 3.29Å; W181-W183 HydrophobicContact CE3-CH2 4.01Å; W181-W183 AromaticContact CE3-CZ2 3.62Å; W181-W183 HydrophobicContact CE3-CZ2 3.62Å; W181-W183 AromaticContact CZ3-CH2 4Å; W181-W183 HydrophobicContact CZ3-CH2 4Å; W181-W183 AromaticContact CZ3-CZ2 3.97Å; W181-W183 HydrophobicContact CZ3-CZ2 3.97Å; W181-W183 PolarHBondContact O-N 3.38Å; W183-L185 PolarHBondContact O-N 3.18Å; W183-L186 HydrophobicContact CE3-CD1 3.62Å; W183-L186 HydrophobicContact CE3-CG 4.4Å; W183-L186 HydrophobicContact CZ3-CD1 3.9Å; W183-L186 WeakPolarHBondContact O-CB 3.41Å; W183-L186 PolarHBondContact O-N 2.89Å; W183-L186 VanDerWaalsContact O-N 3.1Å |
| 184 | W | 98.3 | Very high | 98.1 | Very high | 160 Ų | 160 | 56.6 Ų | 56.6 | 61% | 0.606 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -60.4 | -25.7 | 176.5 | -69.5 | 110.8 | 0 | 0 | 0 | 112.9 | Y182 L186 L187 P188 F237 | Y182-W184 HydrophobicContact CD1-CB 4.27Å; Y182-W184 HydrophobicContact CE1-CB 3.63Å; Y182-W184 HydrophobicContact CE2-CB 4.27Å; Y182-W184 AromaticContact CE2-CD1 3.84Å; Y182-W184 HydrophobicContact CE2-CG 4.45Å; Y182-W184 AromaticContact CZ-CD1 3.88Å; Y182-W184 PolarHBondContact O-N 3.3Å; W184-L186 PolarHBondContact O-N 3.34Å; W184-L187 HydrophobicContact CE3-CD1 3.64Å; W184-L187 HydrophobicContact CZ3-CD1 3.84Å; W184-L187 PolarHBondContact O-N 3.43Å; W184-L187 VanDerWaalsContact O-N 3.13Å; W184-P188 WeakPolarHBondContact O-CD 3.46Å; W184-F237 HydrophobicContact CB-CE1 4.11Å; W184-F237 WeakPolarHBondContact O-CE1 3.3Å |
| 185 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -60.6 | -24.8 | 176.1 | -168 | 66.8 | 0 | 0 | 0 | 113.1 | W130 M172 A173 Y182 W183 L187 P188 N189 | W130-L185 HydrophobicContact CZ2-CB 4.13Å; W130-L185 HydrophobicContact CZ2-CD2 4.12Å; M172-L185 HydrophobicContact CE-CD1 4.39Å; A173-L185 HydrophobicContact CB-CD2 4.19Å; Y182-L185 HydrophobicContact CD1-CB 4.09Å; Y182-L185 WeakPolarHBondContact O-CB 3.31Å; Y182-L185 PolarHBondContact O-N 2.96Å; W183-L185 PolarHBondContact O-N 3.18Å; L185-L187 PolarHBondContact O-N 3.27Å; L185-P188 HydrophobicContact CD1-CG 4.42Å; L185-P188 WeakPolarHBondContact O-CD 3.47Å; L185-P188 WeakPolarHBondContact O-CG 3.48Å; L185-N189 VanDerWaalsContact O-CB 3.25Å; L185-N189 WeakPolarHBondContact O-CB 3.3Å; L185-N189 PolarHBondContact O-N 2.83Å; L185-N189 VanDerWaalsContact O-N 3.08Å |
| 186 | L | 98.7 | Very high | 98.2 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62 | -30.7 | 176.8 | -65 | -175 | 0 | 0 | 0 | 112.1 | W130 N134 V137 W183 W184 N189 I190 | W130-L186 HydrophobicContact CH2-CD2 4.2Å; W130-L186 HydrophobicContact CH2-CG 4.22Å; N134-L186 WeakPolarHBondContact OD1-CD2 3.15Å; V137-L186 HydrophobicContact CG1-CD2 4.45Å; V137-L186 HydrophobicContact CG2-CD2 4.29Å; W183-L186 HydrophobicContact CE3-CD1 3.62Å; W183-L186 HydrophobicContact CE3-CG 4.4Å; W183-L186 HydrophobicContact CZ3-CD1 3.9Å; W183-L186 WeakPolarHBondContact O-CB 3.41Å; W183-L186 PolarHBondContact O-N 2.89Å; W183-L186 VanDerWaalsContact O-N 3.1Å; W184-L186 PolarHBondContact O-N 3.34Å; L186-N189 PolarHBondContact O-N 2.95Å; L186-I190 WeakPolarHBondContact O-CB 3.45Å; L186-I190 WeakPolarHBondContact O-CD1 3.33Å; L186-I190 WeakPolarHBondContact O-CG1 3.4Å; L186-I190 PolarHBondContact O-N 2.92Å |
| 187 | L | 98.4 | Very high | 98.2 | Very high | 102 Ų | 102 | 55.3 Ų | 55.3 | 53% | 0.534 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.3 | -58.3 | 179.6 | -63.7 | -178.2 | 0 | 0 | 0 | 112.7 | W184 L185 N189 I190 F191 | W184-L187 HydrophobicContact CE3-CD1 3.64Å; W184-L187 HydrophobicContact CZ3-CD1 3.84Å; W184-L187 PolarHBondContact O-N 3.43Å; W184-L187 VanDerWaalsContact O-N 3.13Å; L185-L187 PolarHBondContact O-N 3.27Å; L187-N189 VanDerWaalsContact C-N 3.26Å; L187-N189 PolarHBondContact O-N 2.91Å; L187-I190 PolarHBondContact O-N 3.27Å; L187-F191 PolarHBondContact O-N 3.32Å; L187-F191 VanDerWaalsContact O-N 3.1Å |
| 188 | P | 98.4 | Very high | 98.2 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -29.6 | 176.4 | 30 | -37.4 | 0 | 0 | 0 | 111.7 | M172 W184 L185 F191 M192 F237 | M172-P188 VanDerWaalsContact CE-C 3.49Å; M172-P188 HydrophobicContact CE-CB 3.76Å; M172-P188 HydrophobicContact CE-CG 3.88Å; W184-P188 WeakPolarHBondContact O-CD 3.46Å; L185-P188 HydrophobicContact CD1-CG 4.42Å; L185-P188 WeakPolarHBondContact O-CD 3.47Å; L185-P188 WeakPolarHBondContact O-CG 3.48Å; P188-F191 PolarHBondContact O-N 3.08Å; P188-M192 WeakPolarHBondContact O-CB 3.41Å; P188-M192 VanDerWaalsContact O-CG 3.31Å; P188-M192 WeakPolarHBondContact O-CG 3.39Å; P188-M192 PolarHBondContact O-N 3.18Å; P188-F237 HydrophobicContact CG-CD1 3.99Å; P188-F237 HydrophobicContact CG-CE1 3.78Å; P188-F237 HydrophobicContact CG-CG 4.48Å; P188-F237 HydrophobicContact CG-CZ 4.1Å |
| 189 | N | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 174.2 | 176.8 | 0.8 | 0 | 0 | 0 | 111.5 | N134 G169 M172 L185 L186 L187 F191 M192 S193 | N134-N189 PolarHBondContact O-ND2 2.89Å; N134-N189 PolarHBondContact OD1-ND2 2.8Å; G169-N189 WeakPolarHBondContact CA-ND2 3.42Å; G169-N189 VanDerWaalsContact CA-OD1 3.32Å; G169-N189 WeakPolarHBondContact CA-OD1 3.45Å; M172-N189 HydrophobicContact CE-CB 4.15Å; M172-N189 VanDerWaalsContact CE-N 3.35Å; M172-N189 HydrophobicContact SD-CB 4.32Å; L185-N189 VanDerWaalsContact O-CB 3.25Å; L185-N189 WeakPolarHBondContact O-CB 3.3Å; L185-N189 PolarHBondContact O-N 2.83Å; L185-N189 VanDerWaalsContact O-N 3.08Å; L186-N189 PolarHBondContact O-N 2.95Å; L187-N189 VanDerWaalsContact C-N 3.26Å; L187-N189 PolarHBondContact O-N 2.91Å; N189-F191 VanDerWaalsContact C-N 3.32Å; N189-F191 PolarHBondContact O-N 3.02Å; N189-M192 PolarHBondContact O-N 2.91Å; N189-S193 WeakPolarHBondContact O-CB 3.45Å; N189-S193 PolarHBondContact O-N 3.49Å; N189-S193 PolarHBondContact O-OG 3.21Å; N189-S193 PolarHBondContact OD1-OG 2.65Å; N189-S193 VanDerWaalsContact OD1-OG 3.09Å |
| 190 | I | 98.9 | Very high | 98.5 | Very high | 41 Ų | 41 | 53 Ų | 53 | 21% | 0.21 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.4 | -49.4 | 176.4 | -72.3 | 166.3 | 0 | 0 | 0 | 109.9 | V137 F141 L186 L187 S193 M194 | V137-I190 HydrophobicContact CG1-CD1 4.24Å; V137-I190 HydrophobicContact CG1-CG1 3.6Å; F141-I190 HydrophobicContact CB-CG2 4.31Å; F141-I190 HydrophobicContact CD1-CG1 4.41Å; F141-I190 HydrophobicContact CD1-CG2 3.55Å; F141-I190 HydrophobicContact CD2-CD1 4.3Å; F141-I190 HydrophobicContact CD2-CG1 3.75Å; F141-I190 HydrophobicContact CD2-CG2 4.39Å; F141-I190 HydrophobicContact CE1-CD1 4.46Å; F141-I190 HydrophobicContact CE1-CG1 4.49Å; F141-I190 HydrophobicContact CE1-CG2 3.86Å; F141-I190 HydrophobicContact CE2-CD1 3.87Å; F141-I190 HydrophobicContact CE2-CG1 3.85Å; F141-I190 HydrophobicContact CG-CB 4.38Å; F141-I190 HydrophobicContact CG-CG1 4.03Å; F141-I190 HydrophobicContact CG-CG2 3.83Å; F141-I190 HydrophobicContact CZ-CD1 3.95Å; F141-I190 HydrophobicContact CZ-CG1 4.22Å; F141-I190 HydrophobicContact CZ-CG2 4.39Å; L186-I190 WeakPolarHBondContact O-CB 3.45Å; L186-I190 WeakPolarHBondContact O-CD1 3.33Å; L186-I190 WeakPolarHBondContact O-CG1 3.4Å; L186-I190 PolarHBondContact O-N 2.92Å; L187-I190 PolarHBondContact O-N 3.27Å; I190-S193 PolarHBondContact O-N 3.41Å; I190-M194 HydrophobicContact CG2-CG 4.38Å; I190-M194 HydrophobicContact CG2-SD 3.87Å; I190-M194 WeakPolarHBondContact O-CB 3.3Å; I190-M194 VanDerWaalsContact O-CG 3.23Å; I190-M194 WeakPolarHBondContact O-CG 3.12Å; I190-M194 PolarHBondContact O-N 2.82Å |
| 191 | F | 98.7 | Very high | 98.4 | Very high | 121 Ų | 121 | 51.8 Ų | 51.8 | 53% | 0.531 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.3 | -52.8 | -179.1 | 178.1 | -100.9 | 0 | 0 | 0 | 112.2 | L187 P188 N189 S193 M194 M195 | L187-F191 PolarHBondContact O-N 3.32Å; L187-F191 VanDerWaalsContact O-N 3.1Å; P188-F191 PolarHBondContact O-N 3.08Å; N189-F191 VanDerWaalsContact C-N 3.32Å; N189-F191 PolarHBondContact O-N 3.02Å; F191-S193 VanDerWaalsContact C-N 3.33Å; F191-S193 PolarHBondContact O-N 3.06Å; F191-M194 PolarHBondContact O-N 2.86Å; F191-M195 HydrophobicContact CE1-CG 4.36Å; F191-M195 HydrophobicContact CE2-CE 4.41Å; F191-M195 HydrophobicContact CZ-CG 4.39Å; F191-M195 HydrophobicContact CZ-SD 4.45Å; F191-M195 WeakPolarHBondContact O-CG 3.31Å; F191-M195 PolarHBondContact O-N 3.14Å |
| 192 | M | 98.7 | Very high | 98.4 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 7% | 0.069 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | -179.8 | -68.6 | -51 | -153.7 | 0 | 0 | 111.9 | V168 M172 P188 N189 M194 M195 C196 L222 L225 H226 | V168-M192 HydrophobicContact CG1-CB 3.67Å; M172-M192 HydrophobicContact SD-CB 4.08Å; M172-M192 HydrophobicContact SD-CG 4.15Å; P188-M192 WeakPolarHBondContact O-CB 3.41Å; P188-M192 VanDerWaalsContact O-CG 3.31Å; P188-M192 WeakPolarHBondContact O-CG 3.39Å; P188-M192 PolarHBondContact O-N 3.18Å; N189-M192 PolarHBondContact O-N 2.91Å; M192-M194 VanDerWaalsContact C-N 3.35Å; M192-M194 PolarHBondContact O-N 2.89Å; M192-M195 WeakPolarHBondContact O-CB 3.29Å; M192-M195 PolarHBondContact O-N 3.45Å; M192-M195 VanDerWaalsContact O-N 3.1Å; M192-C196 PolarHBondContact O-N 3.41Å; M192-L222 WeakPolarHBondContact O-CD1 3.45Å; M192-L222 HydrophobicContact SD-CD2 4.26Å; M192-L225 HydrophobicContact CE-CB 4.39Å; M192-L225 HydrophobicContact CE-CD2 4.17Å; M192-L225 HydrophobicContact CE-CG 4.07Å; M192-H226 HydrophobicContact CE-CB 3.55Å; M192-H226 HydrophobicContact CG-CB 4.36Å |
| 193 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.9 | -38.4 | 176.5 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | G138 A142 N189 I190 F191 M195 C196 | G138-S193 WeakPolarHBondContact CA-OG 3.25Å; G138-S193 WeakPolarHBondContact O-CB 3.32Å; A142-S193 WeakPolarHBondContact CA-O 3.37Å; A142-S193 WeakPolarHBondContact CB-O 3.5Å; N189-S193 WeakPolarHBondContact O-CB 3.45Å; N189-S193 PolarHBondContact O-N 3.49Å; N189-S193 PolarHBondContact O-OG 3.21Å; N189-S193 PolarHBondContact OD1-OG 2.65Å; N189-S193 VanDerWaalsContact OD1-OG 3.09Å; I190-S193 PolarHBondContact O-N 3.41Å; F191-S193 VanDerWaalsContact C-N 3.33Å; F191-S193 PolarHBondContact O-N 3.06Å; S193-M195 PolarHBondContact O-N 2.98Å; S193-C196 VanDerWaalsContact O-CB 3.26Å; S193-C196 WeakPolarHBondContact O-CB 3.41Å; S193-C196 PolarHBondContact O-N 2.7Å; S193-C196 VanDerWaalsContact O-N 3.08Å |
| 194 | M | 98.8 | Very high | 98.2 | Very high | 54 Ų | 54 | 41.7 Ų | 41.7 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.4 | -23.1 | 173.6 | -71.5 | -180 | 70.4 | 0 | 0 | 113.1 | F141 S145 I190 F191 M192 C196 P197 | F141-M194 HydrophobicContact CB-CG 4.06Å; F141-M194 HydrophobicContact CD1-CG 4.39Å; F141-M194 HydrophobicContact CD1-SD 4.19Å; S145-M194 WeakPolarHBondContact CB-O 3.45Å; S145-M194 PolarHBondContact OG-O 2.92Å; I190-M194 HydrophobicContact CG2-CG 4.38Å; I190-M194 HydrophobicContact CG2-SD 3.87Å; I190-M194 WeakPolarHBondContact O-CB 3.3Å; I190-M194 VanDerWaalsContact O-CG 3.23Å; I190-M194 WeakPolarHBondContact O-CG 3.12Å; I190-M194 PolarHBondContact O-N 2.82Å; F191-M194 PolarHBondContact O-N 2.86Å; M192-M194 VanDerWaalsContact C-N 3.35Å; M192-M194 PolarHBondContact O-N 2.89Å; M194-C196 VanDerWaalsContact C-N 3.35Å; M194-P197 WeakPolarHBondContact O-CD 3.39Å |
| 195 | M | 98.8 | Very high | 98 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 26% | 0.261 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -78.9 | -16.6 | 173.7 | -62.8 | -60.9 | 100.5 | 0 | 0 | 113 | F191 M192 S193 I198 V199 L222 | F191-M195 HydrophobicContact CE1-CG 4.36Å; F191-M195 HydrophobicContact CE2-CE 4.41Å; F191-M195 HydrophobicContact CZ-CG 4.39Å; F191-M195 HydrophobicContact CZ-SD 4.45Å; F191-M195 WeakPolarHBondContact O-CG 3.31Å; F191-M195 PolarHBondContact O-N 3.14Å; M192-M195 WeakPolarHBondContact O-CB 3.29Å; M192-M195 PolarHBondContact O-N 3.45Å; M192-M195 VanDerWaalsContact O-N 3.1Å; S193-M195 PolarHBondContact O-N 2.98Å; M195-I198 HydrophobicContact CE-CD1 3.75Å; M195-I198 WeakPolarHBondContact O-CB 3.42Å; M195-I198 PolarHBondContact O-N 3.43Å; M195-I198 VanDerWaalsContact O-N 3.12Å; M195-I198 HydrophobicContact SD-CD1 3.8Å; M195-V199 PolarHBondContact O-N 2.85Å; M195-L222 HydrophobicContact CB-CD1 4.04Å; M195-L222 HydrophobicContact CB-CD2 3.67Å; M195-L222 HydrophobicContact CG-CD2 4.47Å |
| 196 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56 | -47.9 | -178.5 | -72.2 | 0 | 0 | 0 | 0 | 113.1 | A142 N164 M192 S193 M194 I198 V199 S200 L222 | A142-C196 HydrophobicContact CB-CB 4.32Å; N164-C196 HydrophobicContact CB-CB 4Å; M192-C196 PolarHBondContact O-N 3.41Å; S193-C196 VanDerWaalsContact O-CB 3.26Å; S193-C196 WeakPolarHBondContact O-CB 3.41Å; S193-C196 PolarHBondContact O-N 2.7Å; S193-C196 VanDerWaalsContact O-N 3.08Å; M194-C196 VanDerWaalsContact C-N 3.35Å; C196-I198 VanDerWaalsContact C-N 3.31Å; C196-I198 PolarHBondContact O-N 3.24Å; C196-V199 PolarHBondContact O-N 3.02Å; C196-S200 VanDerWaalsContact O-CB 3.27Å; C196-S200 WeakPolarHBondContact O-CB 3.45Å; C196-S200 PolarHBondContact O-N 3.41Å; C196-S200 PolarHBondContact O-OG 2.99Å; C196-L222 HydrophobicContact CB-CD1 4.22Å; C196-L222 WeakPolarHBondContact SG-CD1 3.5Å |
| 197 | P | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -34.2 | 176.7 | -25.6 | 36.3 | 0 | 0 | 0 | 114.1 | A142 A146 L149 Y161 M194 S200 S201 | A142-P197 WeakPolarHBondContact O-CG 3.4Å; A146-P197 HydrophobicContact CB-CB 4.09Å; A146-P197 HydrophobicContact CB-CG 3.9Å; L149-P197 HydrophobicContact CD1-CB 4.11Å; Y161-P197 HydrophobicContact CD1-CB 3.6Å; Y161-P197 HydrophobicContact CD1-CG 4.02Å; Y161-P197 HydrophobicContact CE1-CB 3.93Å; M194-P197 WeakPolarHBondContact O-CD 3.39Å; P197-S200 PolarHBondContact O-N 3.26Å; P197-S201 VanDerWaalsContact O-CB 3.29Å; P197-S201 WeakPolarHBondContact O-CB 3.48Å; P197-S201 PolarHBondContact O-N 2.87Å |
| 198 | I | 98.4 | Very high | 97.3 | Very high | 78 Ų | 78 | 40.9 Ų | 40.9 | 40% | 0.4 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.3 | -52 | 178.7 | -59.2 | 176.3 | 0 | 0 | 0 | 109.7 | L149 M195 C196 S200 S201 A202 | L149-I198 HydrophobicContact CD1-CD1 4.32Å; L149-I198 HydrophobicContact CD1-CG1 3.55Å; M195-I198 HydrophobicContact CE-CD1 3.75Å; M195-I198 WeakPolarHBondContact O-CB 3.42Å; M195-I198 PolarHBondContact O-N 3.43Å; M195-I198 VanDerWaalsContact O-N 3.12Å; M195-I198 HydrophobicContact SD-CD1 3.8Å; C196-I198 VanDerWaalsContact C-N 3.31Å; C196-I198 PolarHBondContact O-N 3.24Å; I198-S200 VanDerWaalsContact C-N 3.32Å; I198-S200 PolarHBondContact O-N 2.97Å; I198-S201 PolarHBondContact O-N 3.43Å; I198-A202 PolarHBondContact O-N 2.89Å |
| 199 | V | 98.4 | Very high | 97 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 178.4 | 180 | 0 | 0 | 0 | 0 | 110.9 | M195 C196 S201 A202 L203 P218 I221 L222 | M195-V199 PolarHBondContact O-N 2.85Å; C196-V199 PolarHBondContact O-N 3.02Å; V199-S201 PolarHBondContact O-N 2.99Å; V199-A202 PolarHBondContact O-N 3.26Å; V199-L203 HydrophobicContact CG1-CD1 3.9Å; V199-L203 HydrophobicContact CG1-CG 4.3Å; V199-L203 WeakPolarHBondContact O-CB 3.32Å; V199-L203 WeakPolarHBondContact O-CG 3.39Å; V199-L203 PolarHBondContact O-N 2.97Å; V199-P218 HydrophobicContact CB-CB 4.1Å; V199-P218 HydrophobicContact CG1-CB 3.96Å; V199-P218 HydrophobicContact CG1-CG 4.35Å; V199-I221 HydrophobicContact CG1-CD1 3.95Å; V199-L222 HydrophobicContact CG2-CD1 4.22Å; V199-L222 HydrophobicContact CG2-CD2 4.23Å; V199-L222 HydrophobicContact CG2-CG 4.31Å |
| 200 | S | 97.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 57 Ų | 57 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | C196 P197 I198 L203 A204 P218 | C196-S200 VanDerWaalsContact O-CB 3.27Å; C196-S200 WeakPolarHBondContact O-CB 3.45Å; C196-S200 PolarHBondContact O-N 3.41Å; C196-S200 PolarHBondContact O-OG 2.99Å; P197-S200 PolarHBondContact O-N 3.26Å; I198-S200 VanDerWaalsContact C-N 3.32Å; I198-S200 PolarHBondContact O-N 2.97Å; S200-L203 PolarHBondContact O-N 3.44Å; S200-A204 VanDerWaalsContact O-CB 3.23Å; S200-A204 WeakPolarHBondContact O-CB 3.39Å; S200-A204 PolarHBondContact O-N 3.19Å; S200-P218 VanDerWaalsContact OG-CG 3.23Å; S200-P218 WeakPolarHBondContact OG-CG 3.08Å |
| 201 | S | 96.9 | Very high | 96.6 | Very high | 47 Ų | 47 | 58 Ų | 58 | 33% | 0.329 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 179.1 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | P197 I198 V199 A204 S205 | P197-S201 VanDerWaalsContact O-CB 3.29Å; P197-S201 WeakPolarHBondContact O-CB 3.48Å; P197-S201 PolarHBondContact O-N 2.87Å; I198-S201 PolarHBondContact O-N 3.43Å; V199-S201 PolarHBondContact O-N 2.99Å; S201-A204 PolarHBondContact O-N 3.31Å; S201-S205 PolarHBondContact O-N 3.32Å |
| 202 | A | 97.4 | Very high | 96.5 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I198 V199 S205 | I198-A202 PolarHBondContact O-N 2.89Å; V199-A202 PolarHBondContact O-N 3.26Å; A202-S205 PolarHBondContact O-N 2.94Å; A202-S205 PolarHBondContact O-OG 3Å |
| 203 | L | 97.1 | Very high | 96.4 | Very high | 33 Ų | 33 | 53 Ų | 53 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 177.7 | -69.5 | 173.6 | 0 | 0 | 0 | 112.3 | V199 S200 S205 I206 N207 V214 L217 P218 I221 | V199-L203 HydrophobicContact CG1-CD1 3.9Å; V199-L203 HydrophobicContact CG1-CG 4.3Å; V199-L203 WeakPolarHBondContact O-CB 3.32Å; V199-L203 WeakPolarHBondContact O-CG 3.39Å; V199-L203 PolarHBondContact O-N 2.97Å; S200-L203 PolarHBondContact O-N 3.44Å; L203-S205 VanDerWaalsContact C-N 3.27Å; L203-S205 PolarHBondContact O-N 2.91Å; L203-I206 PolarHBondContact O-N 3.33Å; L203-I206 VanDerWaalsContact O-N 3.13Å; L203-N207 WeakPolarHBondContact O-CB 3.41Å; L203-N207 PolarHBondContact O-N 2.98Å; L203-V214 HydrophobicContact CB-CB 4.29Å; L203-V214 HydrophobicContact CB-CG1 3.77Å; L203-L217 HydrophobicContact CD1-CB 3.56Å; L203-L217 HydrophobicContact CD1-CD1 4.26Å; L203-P218 HydrophobicContact CD1-CG 4.1Å; L203-I221 HydrophobicContact CD1-CD1 4.11Å |
| 204 | A | 94.9 | Very high | 96.4 | Very high | 30 Ų | 30 | 54 Ų | 54 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -37 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S200 S201 I206 N207 T208 V214 | S200-A204 VanDerWaalsContact O-CB 3.23Å; S200-A204 WeakPolarHBondContact O-CB 3.39Å; S200-A204 PolarHBondContact O-N 3.19Å; S201-A204 PolarHBondContact O-N 3.31Å; A204-I206 PolarHBondContact O-N 2.95Å; A204-N207 PolarHBondContact O-N 2.89Å; A204-T208 VanDerWaalsContact O-CB 3.3Å; A204-T208 WeakPolarHBondContact O-CB 3.5Å; A204-T208 WeakPolarHBondContact O-CG2 3.39Å; A204-T208 PolarHBondContact O-N 2.83Å; A204-T208 PolarHBondContact O-OG1 3.34Å; A204-V214 HydrophobicContact CB-CG1 3.84Å |
| 205 | S | 95 | Very high | 96.3 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -27.4 | 177 | 79.3 | 0 | 0 | 0 | 0 | 113.5 | S201 A202 L203 | S201-S205 PolarHBondContact O-N 3.32Å; A202-S205 PolarHBondContact O-N 2.94Å; A202-S205 PolarHBondContact O-OG 3Å; L203-S205 VanDerWaalsContact C-N 3.27Å; L203-S205 PolarHBondContact O-N 2.91Å |
| 206 | I | 95.2 | Very high | 96.3 | Very high | 96 Ų | 96 | 49.1 Ų | 49.1 | 49% | 0.492 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -86.6 | -53.9 | 175.7 | -59 | 170.2 | 0 | 0 | 0 | 109.5 | L203 A204 T208 R209 W210 | L203-I206 PolarHBondContact O-N 3.33Å; L203-I206 VanDerWaalsContact O-N 3.13Å; A204-I206 PolarHBondContact O-N 2.95Å; I206-T208 VanDerWaalsContact C-N 3.32Å; I206-T208 PolarHBondContact O-N 3.2Å; I206-R209 WeakPolarHBondContact O-CB 3.48Å; I206-R209 WeakPolarHBondContact O-CG 3.36Å; I206-R209 PolarHBondContact O-N 3.11Å; I206-W210 HydrophobicContact CG2-CZ3 3.95Å; I206-W210 WeakPolarHBondContact O-CZ3 3.48Å |
| 207 | N | 93.6 | Very high | 96.3 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -28.2 | -170.9 | -75.7 | 11.6 | 0 | 0 | 0 | 113.9 | L203 A204 R209 W210 D211 L212 P213 | L203-N207 WeakPolarHBondContact O-CB 3.41Å; L203-N207 PolarHBondContact O-N 2.98Å; A204-N207 PolarHBondContact O-N 2.89Å; N207-R209 PolarHBondContact O-N 3.07Å; N207-W210 PolarHBondContact O-N 3.19Å; N207-D211 PolarHBondContact O-N 3.35Å; N207-L212 HydrophobicContact CB-CB 3.98Å; N207-L212 WeakPolarHBondContact CB-O 3.43Å; N207-L212 PolarHBondContact O-N 3.36Å; N207-P213 PolarHBondContact ND2-O 3.38Å |
| 208 | T | 91.6 | Very high | 96.3 | Very high | 86 Ų | 86 | 49.8 Ų | 49.8 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -61.1 | -23.3 | 176.6 | 48.5 | 0 | 0 | 0 | 0 | 113 | A204 I206 W210 D211 | A204-T208 VanDerWaalsContact O-CB 3.3Å; A204-T208 WeakPolarHBondContact O-CB 3.5Å; A204-T208 WeakPolarHBondContact O-CG2 3.39Å; A204-T208 PolarHBondContact O-N 2.83Å; A204-T208 PolarHBondContact O-OG1 3.34Å; I206-T208 VanDerWaalsContact C-N 3.32Å; I206-T208 PolarHBondContact O-N 3.2Å; T208-W210 PolarHBondContact O-N 3.24Å; T208-D211 PolarHBondContact O-N 2.97Å |
| 209 | R | 92.9 | Very high | 96.4 | Very high | 206 Ų | 206 | 46.2 Ų | 46.2 | 78% | 0.777 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -62.9 | -25.1 | 174.3 | -62.4 | -66.2 | -176.7 | 163.7 | 0.1 | 113.4 | I206 N207 | I206-R209 WeakPolarHBondContact O-CB 3.48Å; I206-R209 WeakPolarHBondContact O-CG 3.36Å; I206-R209 PolarHBondContact O-N 3.11Å; N207-R209 PolarHBondContact O-N 3.07Å |
| 210 | W | 94.1 | Very high | 96.4 | Very high | 151 Ų | 151 | 44.8 Ų | 44.8 | 57% | 0.572 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -114.7 | 12.2 | 178.1 | -63.8 | -85.5 | 0 | 0 | 0 | 112.9 | I206 N207 T208 L212 L390 K400 | I206-W210 HydrophobicContact CG2-CZ3 3.95Å; I206-W210 WeakPolarHBondContact O-CZ3 3.48Å; N207-W210 PolarHBondContact O-N 3.19Å; T208-W210 PolarHBondContact O-N 3.24Å; W210-L212 VanDerWaalsContact C-N 3.31Å; W210-L212 HydrophobicContact CB-CD1 3.82Å; W210-L212 HydrophobicContact CB-CG 3.88Å; W210-L212 PolarHBondContact O-N 3.34Å; W210-L390 HydrophobicContact CB-CD2 4.2Å; W210-L390 HydrophobicContact CG-CD2 4.26Å; W210-K400 PolarHBondContact O-NZ 2.92Å |
| 211 | D | 95.2 | Very high | 96.4 | Very high | 60 Ų | 60 | 47.3 Ų | 47.3 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 52.4 | -173.4 | -162.5 | 43.1 | 0 | 0 | 0 | 111.1 | N207 T208 K400 P402 L403 | N207-D211 PolarHBondContact O-N 3.35Å; T208-D211 PolarHBondContact O-N 2.97Å; D211-K400 VanDerWaalsContact O-CE 3.3Å; D211-K400 WeakPolarHBondContact O-CE 3.43Å; D211-K400 PolarHBondContact O-NZ 2.89Å; D211-P402 VanDerWaalsContact OD2-CA 3.28Å; D211-P402 WeakPolarHBondContact OD2-CA 3.5Å; D211-L403 WeakPolarHBondContact O-CD1 3.28Å; D211-L403 VanDerWaalsContact OD1-CB 3.32Å; D211-L403 WeakPolarHBondContact OD1-CB 3.32Å; D211-L403 WeakPolarHBondContact OD1-CD1 3.39Å; D211-L403 WeakPolarHBondContact OD1-CG 3.12Å; D211-L403 PolarHBondContact OD2-N 3.47Å |
| 212 | L | 96.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | trans | -112.6 | 142.7 | 179.6 | -66.5 | 174.8 | 0 | 0 | 0 | 111.9 | N207 W210 L386 L389 L390 L403 | N207-L212 HydrophobicContact CB-CB 3.98Å; N207-L212 WeakPolarHBondContact CB-O 3.43Å; N207-L212 PolarHBondContact O-N 3.36Å; W210-L212 VanDerWaalsContact C-N 3.31Å; W210-L212 HydrophobicContact CB-CD1 3.82Å; W210-L212 HydrophobicContact CB-CG 3.88Å; W210-L212 PolarHBondContact O-N 3.34Å; L212-L386 HydrophobicContact CB-CD2 4.06Å; L212-L386 HydrophobicContact CD1-CD2 4.05Å; L212-L386 HydrophobicContact CD2-CD2 4.37Å; L212-L386 HydrophobicContact CG-CD2 4.4Å; L212-L389 HydrophobicContact CD2-CB 3.53Å; L212-L389 HydrophobicContact CD2-CD1 4.31Å; L212-L390 HydrophobicContact CD1-CD1 4.1Å; L212-L390 HydrophobicContact CD1-CD2 3.8Å; L212-L390 HydrophobicContact CD1-CG 3.82Å; L212-L390 HydrophobicContact CD2-CG 4.49Å; L212-L403 VanDerWaalsContact C-CD1 3.4Å | ||
| 213 | P | 96.6 | Very high | 96.6 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | trans | -74.7 | 163.7 | 172.9 | 34.1 | -35 | 0 | 0 | 0 | 110.3 | N207 F215 F340 L389 L403 | N207-P213 PolarHBondContact ND2-O 3.38Å; P213-F215 HydrophobicContact CB-CD1 4.06Å; P213-F215 HydrophobicContact CB-CE1 4.09Å; P213-F215 HydrophobicContact CG-CD1 3.66Å; P213-F215 HydrophobicContact CG-CD2 4.19Å; P213-F215 HydrophobicContact CG-CE1 3.28Å; P213-F215 HydrophobicContact CG-CE2 3.81Å; P213-F215 HydrophobicContact CG-CG 4.13Å; P213-F215 HydrophobicContact CG-CZ 3.37Å; P213-F340 HydrophobicContact CB-CE1 4.05Å; P213-F340 HydrophobicContact CB-CZ 4.15Å; P213-F340 HydrophobicContact CG-CD1 4.37Å; P213-F340 HydrophobicContact CG-CE1 3.86Å; P213-F340 HydrophobicContact CG-CZ 3.95Å; P213-L389 HydrophobicContact CG-CD1 4.16Å; P213-L403 HydrophobicContact CB-CD2 4.49Å | ||
| 214 | V | 97.4 | Very high | 96.6 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | trans | -84.7 | -17.3 | 174.8 | -61 | 0 | 0 | 0 | 0 | 113.1 | L203 A204 L217 | L203-V214 HydrophobicContact CB-CB 4.29Å; L203-V214 HydrophobicContact CB-CG1 3.77Å; A204-V214 HydrophobicContact CB-CG1 3.84Å; V214-L217 VanDerWaalsContact O-CB 3.3Å; V214-L217 WeakPolarHBondContact O-CB 3.4Å; V214-L217 WeakPolarHBondContact O-CD1 3.47Å; V214-L217 WeakPolarHBondContact O-CG 3.41Å; V214-L217 PolarHBondContact O-N 3.46Å | ||
| 215 | F | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | -151.1 | -174.9 | -64.8 | -43.1 | 0 | 0 | 0 | 112.3 | F110 Y163 N164 P213 L217 P218 A335 F340 F381 A385 L386 L389 | F110-F215 AromaticContact CE1-CD1 3.71Å; F110-F215 HydrophobicContact CE1-CD1 3.71Å; F110-F215 AromaticContact CE1-CE1 3.75Å; F110-F215 HydrophobicContact CE1-CE1 3.75Å; F110-F215 HydrophobicContact CZ-CD1 4.23Å; F110-F215 HydrophobicContact CZ-CE1 4.12Å; Y163-F215 WeakPolarHBondContact CE2-O 3.24Å; Y163-F215 PolarHBondContact OH-O 3.4Å; N164-F215 PolarHBondContact ND2-O 2.84Å; P213-F215 HydrophobicContact CB-CD1 4.06Å; P213-F215 HydrophobicContact CB-CE1 4.09Å; P213-F215 HydrophobicContact CG-CD1 3.66Å; P213-F215 HydrophobicContact CG-CD2 4.19Å; P213-F215 HydrophobicContact CG-CE1 3.28Å; P213-F215 HydrophobicContact CG-CE2 3.81Å; P213-F215 HydrophobicContact CG-CG 4.13Å; P213-F215 HydrophobicContact CG-CZ 3.37Å; F215-L217 PolarHBondContact O-N 3.21Å; F215-P218 WeakPolarHBondContact O-CD 3.42Å; F215-A335 HydrophobicContact CE1-CB 4.48Å; F215-A335 HydrophobicContact CZ-CB 4.43Å; F215-F340 HydrophobicContact CE1-CD2 4.16Å; F215-F340 AromaticContact CE1-CE2 3.52Å; F215-F340 HydrophobicContact CE1-CE2 3.52Å; F215-F340 AromaticContact CE1-CZ 3.85Å; F215-F340 HydrophobicContact CE1-CZ 3.85Å; F215-F340 HydrophobicContact CZ-CD2 4.39Å; F215-F340 HydrophobicContact CZ-CE2 4.18Å; F215-F381 HydrophobicContact CB-CE1 3.81Å; F215-F381 HydrophobicContact CB-CZ 3.86Å; F215-F381 HydrophobicContact CD1-CE1 4.38Å; F215-F381 HydrophobicContact CD1-CE2 4.45Å; F215-F381 AromaticContact CD1-CZ 3.6Å; F215-F381 HydrophobicContact CD1-CZ 3.6Å; F215-F381 HydrophobicContact CD2-CZ 4.11Å; F215-F381 HydrophobicContact CE1-CE2 4.44Å; F215-F381 AromaticContact CE1-CZ 3.99Å; F215-F381 HydrophobicContact CE1-CZ 3.99Å; F215-F381 HydrophobicContact CG-CE1 4.11Å; F215-F381 AromaticContact CG-CZ 3.63Å; F215-F381 HydrophobicContact CG-CZ 3.63Å; F215-F381 HydrophobicContact CZ-CZ 4.42Å; F215-A385 HydrophobicContact CD2-CB 4.26Å; F215-A385 HydrophobicContact CE2-CB 3.42Å; F215-A385 VanDerWaalsContact CE2-CB 3.42Å; F215-A385 HydrophobicContact CZ-CB 3.61Å; F215-L386 HydrophobicContact CD2-CD2 3.96Å; F215-L386 HydrophobicContact CD2-CG 3.84Å; F215-L386 HydrophobicContact CE2-CD2 3.84Å; F215-L386 HydrophobicContact CE2-CG 3.85Å; F215-L389 HydrophobicContact CE2-CD1 4.01Å; F215-L389 HydrophobicContact CZ-CD1 3.55Å |
| 216 | T | 98.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 18 | 179 | 56 | 0 | 0 | 0 | 0 | 112.4 | Y163 N164 L167 P218 F219 N220 T378 F381 C382 | Y163-T216 HydrophobicContact CD2-CG2 4.24Å; Y163-T216 HydrophobicContact CE2-CG2 4.03Å; N164-T216 VanDerWaalsContact OD1-CA 3.3Å; N164-T216 WeakPolarHBondContact OD1-CA 3.4Å; L167-T216 HydrophobicContact CD1-CG2 3.58Å; T216-P218 VanDerWaalsContact C-CD 3.48Å; T216-F219 WeakPolarHBondContact O-CB 3.31Å; T216-F219 PolarHBondContact O-N 3.09Å; T216-N220 PolarHBondContact O-N 2.68Å; T216-N220 PolarHBondContact O-ND2 3.11Å; T216-N220 PolarHBondContact OG1-ND2 2.76Å; T216-T378 WeakPolarHBondContact CB-OG1 3.48Å; T216-T378 PolarHBondContact OG1-OG1 3.13Å; T216-F381 HydrophobicContact CG2-CE1 4.32Å; T216-C382 PolarHBondContact OG1-SG 2.78Å |
| 217 | L | 98.7 | Very high | 97 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 7% | 0.073 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.9 | -42.8 | 176.6 | -70.8 | 174.8 | 0 | 0 | 0 | 112.9 | L203 V214 F215 F219 N220 I221 W379 C382 L386 | L203-L217 HydrophobicContact CD1-CB 3.56Å; L203-L217 HydrophobicContact CD1-CD1 4.26Å; V214-L217 VanDerWaalsContact O-CB 3.3Å; V214-L217 WeakPolarHBondContact O-CB 3.4Å; V214-L217 WeakPolarHBondContact O-CD1 3.47Å; V214-L217 WeakPolarHBondContact O-CG 3.41Å; V214-L217 PolarHBondContact O-N 3.46Å; F215-L217 PolarHBondContact O-N 3.21Å; L217-F219 PolarHBondContact O-N 3.31Å; L217-N220 PolarHBondContact O-N 3.35Å; L217-I221 VanDerWaalsContact O-CG1 3.28Å; L217-I221 WeakPolarHBondContact O-CG1 3.45Å; L217-I221 PolarHBondContact O-N 3.27Å; L217-W379 HydrophobicContact CD2-CE3 3.89Å; L217-W379 HydrophobicContact CD2-CH2 4.24Å; L217-W379 HydrophobicContact CD2-CZ3 3.51Å; L217-C382 HydrophobicContact CD2-CB 3.56Å; L217-C382 HydrophobicContact CG-CB 3.96Å; L217-L386 HydrophobicContact CD1-CD1 4Å |
| 218 | P | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.8 | -47.2 | 175.4 | -23.2 | 32.6 | 0 | 0 | 0 | 112.9 | N164 V199 S200 L203 F215 T216 I221 L222 | N164-P218 HydrophobicContact CB-CB 4.08Å; N164-P218 WeakPolarHBondContact OD1-CD 3.39Å; V199-P218 HydrophobicContact CB-CB 4.1Å; V199-P218 HydrophobicContact CG1-CB 3.96Å; V199-P218 HydrophobicContact CG1-CG 4.35Å; S200-P218 VanDerWaalsContact OG-CG 3.23Å; S200-P218 WeakPolarHBondContact OG-CG 3.08Å; L203-P218 HydrophobicContact CD1-CG 4.1Å; F215-P218 WeakPolarHBondContact O-CD 3.42Å; T216-P218 VanDerWaalsContact C-CD 3.48Å; P218-I221 PolarHBondContact O-N 2.98Å; P218-L222 WeakPolarHBondContact O-CB 3.29Å; P218-L222 WeakPolarHBondContact O-CD1 3.39Å; P218-L222 VanDerWaalsContact O-CG 3.28Å; P218-L222 WeakPolarHBondContact O-CG 3.27Å; P218-L222 PolarHBondContact O-N 3.06Å |
| 219 | F | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.2 | -51.3 | 174.2 | 147.3 | -103.7 | 0 | 0 | 0 | 111.8 | N164 L167 V168 L171 T216 L217 I221 L222 V223 C377 T378 | N164-F219 HydrophobicContact CB-CB 4.22Å; N164-F219 VanDerWaalsContact OD1-CB 3.25Å; N164-F219 WeakPolarHBondContact OD1-CB 3.33Å; N164-F219 PolarHBondContact OD1-N 3.28Å; L167-F219 HydrophobicContact CB-CB 4.11Å; L167-F219 HydrophobicContact CB-CD1 4.22Å; L167-F219 HydrophobicContact CB-CD2 3.29Å; L167-F219 HydrophobicContact CB-CE2 3.63Å; L167-F219 HydrophobicContact CB-CG 3.59Å; L167-F219 HydrophobicContact CB-CZ 4.25Å; L167-F219 HydrophobicContact CD1-CB 4.3Å; L167-F219 HydrophobicContact CD1-CD1 3.89Å; L167-F219 HydrophobicContact CD1-CD2 4.44Å; L167-F219 HydrophobicContact CD1-CE1 4.33Å; L167-F219 HydrophobicContact CD1-CG 3.93Å; L167-F219 HydrophobicContact CG-CD2 4.49Å; L167-F219 HydrophobicContact CG-CG 4.44Å; L167-F219 WeakPolarHBondContact O-CE2 3.31Å; V168-F219 HydrophobicContact CG2-CB 4.34Å; V168-F219 HydrophobicContact CG2-CD2 4.09Å; L171-F219 HydrophobicContact CB-CE2 3.94Å; L171-F219 HydrophobicContact CB-CZ 4.42Å; L171-F219 HydrophobicContact CD2-CE2 3.79Å; L171-F219 HydrophobicContact CD2-CZ 3.94Å; L171-F219 HydrophobicContact CG-CE2 3.83Å; L171-F219 HydrophobicContact CG-CZ 3.89Å; T216-F219 WeakPolarHBondContact O-CB 3.31Å; T216-F219 PolarHBondContact O-N 3.09Å; L217-F219 PolarHBondContact O-N 3.31Å; F219-I221 VanDerWaalsContact C-N 3.32Å; F219-I221 PolarHBondContact O-N 2.91Å; F219-L222 PolarHBondContact O-N 3.23Å; F219-V223 HydrophobicContact CD2-CB 4.44Å; F219-V223 HydrophobicContact CD2-CG2 3.6Å; F219-V223 HydrophobicContact CE2-CB 4.18Å; F219-V223 HydrophobicContact CE2-CG2 3.49Å; F219-V223 VanDerWaalsContact CE2-CG2 3.49Å; F219-V223 PolarHBondContact O-N 2.81Å; F219-C377 HydrophobicContact CE1-CB 3.84Å; F219-C377 HydrophobicContact CZ-CB 3.88Å; F219-T378 HydrophobicContact CE1-CG2 4.42Å; F219-T378 VanDerWaalsContact CE1-OG1 3.3Å; F219-T378 WeakPolarHBondContact CE1-OG1 3.45Å |
| 220 | N | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | -176.2 | -80.4 | -64.5 | 0 | 0 | 0 | 111.6 | T216 L217 C224 C377 T378 W379 | T216-N220 PolarHBondContact O-N 2.68Å; T216-N220 PolarHBondContact O-ND2 3.11Å; T216-N220 PolarHBondContact OG1-ND2 2.76Å; L217-N220 PolarHBondContact O-N 3.35Å; N220-C224 VanDerWaalsContact O-CB 3.28Å; N220-C224 WeakPolarHBondContact O-CB 3.45Å; N220-C224 PolarHBondContact O-N 3.48Å; N220-C224 VanDerWaalsContact O-N 3.14Å; N220-C224 PolarHBondContact O-SG 3.08Å; N220-C377 WeakPolarHBondContact OD1-CB 3.36Å; N220-T378 PolarHBondContact ND2-OG1 3.41Å; N220-T378 WeakPolarHBondContact OD1-CA 3.48Å; N220-T378 PolarHBondContact OD1-N 2.94Å; N220-T378 PolarHBondContact OD1-OG1 2.9Å; N220-W379 HydrophobicContact CB-CD2 3.97Å; N220-W379 HydrophobicContact CB-CG 4.15Å; N220-W379 HydrophobicContact CB-CZ2 4.04Å; N220-W379 PolarHBondContact OD1-N 3.35Å; N220-W379 VanDerWaalsContact OD1-N 3.09Å |
| 221 | I | 98.8 | Very high | 97.7 | Very high | 60 Ų | 60 | 25.7 Ų | 25.7 | 31% | 0.308 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 177.4 | -68.6 | 165.3 | 0 | 0 | 0 | 110.6 | V199 L203 L217 P218 F219 L225 W379 | V199-I221 HydrophobicContact CG1-CD1 3.95Å; L203-I221 HydrophobicContact CD1-CD1 4.11Å; L217-I221 VanDerWaalsContact O-CG1 3.28Å; L217-I221 WeakPolarHBondContact O-CG1 3.45Å; L217-I221 PolarHBondContact O-N 3.27Å; P218-I221 PolarHBondContact O-N 2.98Å; F219-I221 VanDerWaalsContact C-N 3.32Å; F219-I221 PolarHBondContact O-N 2.91Å; I221-L225 VanDerWaalsContact O-CB 3.24Å; I221-L225 WeakPolarHBondContact O-CB 3.23Å; I221-L225 PolarHBondContact O-N 3.22Å; I221-W379 HydrophobicContact CD1-CH2 4.49Å; I221-W379 HydrophobicContact CG1-CH2 3.8Å; I221-W379 HydrophobicContact CG1-CZ2 3.83Å |
| 222 | L | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -74.1 | -38 | -171.9 | -70.2 | 165.3 | 0 | 0 | 0 | 113.1 | V168 M192 M195 C196 V199 P218 F219 L225 H226 | V168-L222 HydrophobicContact CG2-CB 4.17Å; M192-L222 WeakPolarHBondContact O-CD1 3.45Å; M192-L222 HydrophobicContact SD-CD2 4.26Å; M195-L222 HydrophobicContact CB-CD1 4.04Å; M195-L222 HydrophobicContact CB-CD2 3.67Å; M195-L222 HydrophobicContact CG-CD2 4.47Å; C196-L222 HydrophobicContact CB-CD1 4.22Å; C196-L222 WeakPolarHBondContact SG-CD1 3.5Å; V199-L222 HydrophobicContact CG2-CD1 4.22Å; V199-L222 HydrophobicContact CG2-CD2 4.23Å; V199-L222 HydrophobicContact CG2-CG 4.31Å; P218-L222 WeakPolarHBondContact O-CB 3.29Å; P218-L222 WeakPolarHBondContact O-CD1 3.39Å; P218-L222 VanDerWaalsContact O-CG 3.28Å; P218-L222 WeakPolarHBondContact O-CG 3.27Å; P218-L222 PolarHBondContact O-N 3.06Å; F219-L222 PolarHBondContact O-N 3.23Å; L222-L225 PolarHBondContact O-N 2.62Å; L222-H226 PolarHBondContact O-N 3.25Å |
| 223 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.1 | -44.8 | 173.2 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V168 L171 F175 F219 L225 H226 M227 | V168-V223 HydrophobicContact CB-CG2 4.35Å; V168-V223 HydrophobicContact CG2-CG2 4.04Å; L171-V223 HydrophobicContact CB-CG1 4.42Å; L171-V223 HydrophobicContact CB-CG2 4.4Å; F175-V223 HydrophobicContact CD2-CG1 4.46Å; F219-V223 HydrophobicContact CD2-CB 4.44Å; F219-V223 HydrophobicContact CD2-CG2 3.6Å; F219-V223 HydrophobicContact CE2-CB 4.18Å; F219-V223 HydrophobicContact CE2-CG2 3.49Å; F219-V223 VanDerWaalsContact CE2-CG2 3.49Å; F219-V223 PolarHBondContact O-N 2.81Å; V223-L225 VanDerWaalsContact C-N 3.32Å; V223-L225 PolarHBondContact O-N 2.83Å; V223-H226 PolarHBondContact O-N 3.39Å; V223-M227 HydrophobicContact CG1-CG 4.29Å; V223-M227 HydrophobicContact CG1-SD 4.02Å; V223-M227 WeakPolarHBondContact O-CB 3.32Å; V223-M227 WeakPolarHBondContact O-CG 3.35Å; V223-M227 PolarHBondContact O-N 2.82Å |
| 224 | C | 98.3 | Very high | 97.9 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 9% | 0.088 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.7 | -67.5 | 0 | 0 | 0 | 0 | 111.3 | N220 H226 M227 V228 M369 L374 | N220-C224 VanDerWaalsContact O-CB 3.28Å; N220-C224 WeakPolarHBondContact O-CB 3.45Å; N220-C224 PolarHBondContact O-N 3.48Å; N220-C224 VanDerWaalsContact O-N 3.14Å; N220-C224 PolarHBondContact O-SG 3.08Å; C224-H226 VanDerWaalsContact C-N 3.35Å; C224-H226 PolarHBondContact O-N 3.09Å; C224-M227 PolarHBondContact O-N 3.44Å; C224-V228 WeakPolarHBondContact O-CG2 3.34Å; C224-V228 PolarHBondContact O-N 3.31Å; C224-M369 VanDerWaalsContact SG-CE 3.6Å; C224-L374 HydrophobicContact CB-CD1 4.14Å; C224-L374 HydrophobicContact CB-CD2 4.5Å |
| 225 | L | 98.2 | Very high | 97.8 | Very high | 97 Ų | 97 | 43.3 Ų | 43.3 | 51% | 0.508 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 175.8 | 178.4 | 63.7 | 0 | 0 | 0 | 111.5 | M192 I221 L222 V223 A229 | M192-L225 HydrophobicContact CE-CB 4.39Å; M192-L225 HydrophobicContact CE-CD2 4.17Å; M192-L225 HydrophobicContact CE-CG 4.07Å; I221-L225 VanDerWaalsContact O-CB 3.24Å; I221-L225 WeakPolarHBondContact O-CB 3.23Å; I221-L225 PolarHBondContact O-N 3.22Å; L222-L225 PolarHBondContact O-N 2.62Å; V223-L225 VanDerWaalsContact C-N 3.32Å; V223-L225 PolarHBondContact O-N 2.83Å; L225-A229 WeakPolarHBondContact O-CB 3.41Å; L225-A229 PolarHBondContact O-N 2.95Å |
| 226 | H | 98 | Very high | 97.7 | Very high | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 177.2 | -179.2 | 65.5 | 0 | 0 | 0 | 111.7 | M192 L222 V223 C224 A229 T230 Q239 | M192-H226 HydrophobicContact CE-CB 3.55Å; M192-H226 HydrophobicContact CG-CB 4.36Å; L222-H226 PolarHBondContact O-N 3.25Å; V223-H226 PolarHBondContact O-N 3.39Å; C224-H226 VanDerWaalsContact C-N 3.35Å; C224-H226 PolarHBondContact O-N 3.09Å; H226-A229 PolarHBondContact O-N 3.31Å; H226-T230 PolarHBondContact O-N 2.91Å; H226-T230 PolarHBondContact O-OG1 3.01Å; H226-Q239 PolarHBondContact NE2-NE2 3.01Å |
| 227 | M | 97.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67 | -39.2 | -176.3 | -71.6 | -172.2 | 74.2 | 0 | 0 | 112.6 | F175 V223 C224 G231 Q239 I242 L374 P375 | F175-M227 HydrophobicContact CB-CE 3.78Å; F175-M227 HydrophobicContact CB-SD 3.99Å; F175-M227 HydrophobicContact CD1-CE 4.34Å; F175-M227 HydrophobicContact CD2-CE 4.31Å; F175-M227 HydrophobicContact CD2-SD 3.72Å; F175-M227 HydrophobicContact CE2-SD 4.43Å; F175-M227 HydrophobicContact CG-CE 3.9Å; F175-M227 HydrophobicContact CG-SD 3.92Å; V223-M227 HydrophobicContact CG1-CG 4.29Å; V223-M227 HydrophobicContact CG1-SD 4.02Å; V223-M227 WeakPolarHBondContact O-CB 3.32Å; V223-M227 WeakPolarHBondContact O-CG 3.35Å; V223-M227 PolarHBondContact O-N 2.82Å; C224-M227 PolarHBondContact O-N 3.44Å; M227-G231 VanDerWaalsContact O-CA 3.3Å; M227-G231 WeakPolarHBondContact O-CA 3.37Å; M227-G231 PolarHBondContact O-N 2.99Å; M227-Q239 HydrophobicContact CB-CG 4.46Å; M227-Q239 HydrophobicContact CE-CB 4.3Å; M227-Q239 HydrophobicContact CG-CG 4.36Å; M227-I242 HydrophobicContact CE-CD1 4.1Å; M227-L374 HydrophobicContact CB-CD2 3.5Å; M227-L374 HydrophobicContact SD-CD2 4.44Å; M227-P375 HydrophobicContact CE-CG 4.26Å; M227-P375 WeakPolarHBondContact SD-CD 3.48Å; M227-P375 HydrophobicContact SD-CG 3.75Å |
| 228 | V | 96.4 | Very high | 97.7 | Very high | 94 Ų | 94 | 51.4 Ų | 51.4 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.6 | -42.6 | 174 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | C224 T230 L374 | C224-V228 WeakPolarHBondContact O-CG2 3.34Å; C224-V228 PolarHBondContact O-N 3.31Å; V228-T230 VanDerWaalsContact C-N 3.28Å; V228-T230 PolarHBondContact O-N 3Å; V228-L374 HydrophobicContact CG2-CD1 3.64Å; V228-L374 HydrophobicContact CG2-CD2 3.79Å; V228-L374 HydrophobicContact CG2-CG 3.97Å |
| 229 | A | 97.2 | Very high | 97.6 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 62% | 0.62 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.8 | -31.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L225 H226 | L225-A229 WeakPolarHBondContact O-CB 3.41Å; L225-A229 PolarHBondContact O-N 2.95Å; H226-A229 PolarHBondContact O-N 3.31Å |
| 230 | T | 97 | Very high | 97.5 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -95.5 | -57.5 | -179.8 | 53.4 | 0 | 0 | 0 | 0 | 111.1 | H226 V228 N234 F237 Q239 | H226-T230 PolarHBondContact O-N 2.91Å; H226-T230 PolarHBondContact O-OG1 3.01Å; V228-T230 VanDerWaalsContact C-N 3.28Å; V228-T230 PolarHBondContact O-N 3Å; T230-N234 VanDerWaalsContact O-CB 3.27Å; T230-N234 WeakPolarHBondContact O-CB 3.16Å; T230-F237 WeakPolarHBondContact CB-O 3.31Å; T230-F237 HydrophobicContact CG2-CB 3.76Å; T230-F237 HydrophobicContact CG2-CD2 4.39Å; T230-F237 HydrophobicContact CG2-CG 4.49Å; T230-Q239 VanDerWaalsContact OG1-CG 3.23Å; T230-Q239 WeakPolarHBondContact OG1-CG 3.37Å; T230-Q239 PolarHBondContact OG1-NE2 3.35Å; T230-Q239 VanDerWaalsContact OG1-NE2 3.1Å |
| 231 | G | 96.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 57.9 Ų | 57.9 | 25% | 0.247 | 30% | 0.304 | C | S | . | . | trans | 69.3 | 176.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M227 Y233 Q239 | M227-G231 VanDerWaalsContact O-CA 3.3Å; M227-G231 WeakPolarHBondContact O-CA 3.37Å; M227-G231 PolarHBondContact O-N 2.99Å; G231-Y233 VanDerWaalsContact C-N 3.31Å; G231-Y233 PolarHBondContact O-N 3.48Å; G231-Q239 PolarHBondContact O-N 3.4Å | ||
| 232 | H | 97 | Very high | 97.3 | Very high | 56 Ų | 56 | 56.9 Ų | 56.9 | 26% | 0.259 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -36.4 | -177.7 | -178.2 | 60.5 | 0 | 0 | 0 | 113.4 | N234 P238 Q239 L241 | H232-N234 PolarHBondContact O-N 3.37Å; H232-P238 WeakPolarHBondContact O-CB 3.45Å; H232-Q239 WeakPolarHBondContact CA-O 3.44Å; H232-Q239 PolarHBondContact ND1-O 3.46Å; H232-L241 HydrophobicContact CB-CD1 4.11Å |
| 233 | Y | 95.9 | Very high | 97.1 | Very high | 195 Ų | 195 | 63 Ų | 63 | 77% | 0.765 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 12 | -173.2 | -56.4 | -68.4 | 0 | 0 | 0 | 114.2 | G231 H235 | G231-Y233 VanDerWaalsContact C-N 3.31Å; G231-Y233 PolarHBondContact O-N 3.48Å; Y233-H235 PolarHBondContact O-N 3.36Å |
| 234 | N | 97.8 | Very high | 97 | Very high | 46 Ų | 46 | 65.7 Ų | 65.7 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | trans | -64.2 | 134.1 | 175 | -158.2 | -92.8 | 0 | 0 | 0 | 111 | T230 H232 H236 F237 P238 | T230-N234 VanDerWaalsContact O-CB 3.27Å; T230-N234 WeakPolarHBondContact O-CB 3.16Å; H232-N234 PolarHBondContact O-N 3.37Å; N234-H236 VanDerWaalsContact C-N 3.33Å; N234-H236 PolarHBondContact O-N 3.4Å; N234-H236 PolarHBondContact OD1-N 3.07Å; N234-F237 PolarHBondContact OD1-N 2.56Å; N234-P238 WeakPolarHBondContact O-CB 3.34Å; N234-P238 WeakPolarHBondContact O-CD 3.48Å | ||
| 235 | H | 96.4 | Very high | 96.5 | Very high | 183 Ų | 183 | 71.8 Ų | 71.8 | 85% | 0.847 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -69.8 | -28.7 | 177.7 | -70.5 | -68.6 | 0 | 0 | 0 | 113.9 | Y233 | Y233-H235 PolarHBondContact O-N 3.36Š|
| 236 | H | 96.7 | Very high | 96 | Very high | 123 Ų | 123 | 72.6 Ų | 72.6 | 57% | 0.569 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -100.9 | -44.2 | -176.2 | -65.2 | -63.9 | 0 | 0 | 0 | 112.2 | Y182 N234 P238 | Y182-H236 VanDerWaalsContact CE1-O 3.23Å; Y182-H236 WeakPolarHBondContact CE1-O 3.33Å; Y182-H236 VanDerWaalsContact CZ-O 3.27Å; Y182-H236 PolarHBondContact OH-O 2.87Å; N234-H236 VanDerWaalsContact C-N 3.33Å; N234-H236 PolarHBondContact O-N 3.4Å; N234-H236 PolarHBondContact OD1-N 3.07Å; H236-P238 WeakPolarHBondContact O-CD 3.33Å |
| 237 | F | 97.9 | Very high | 95.5 | Very high | 42 Ų | 42 | 80 Ų | 80 | 18% | 0.184 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -126.7 | 60.6 | -173.9 | -52.7 | -68.2 | 0 | 0 | 0 | 110.9 | Y182 W184 P188 T230 N234 Q239 | Y182-F237 HydrophobicContact CE1-CD1 4.02Å; Y182-F237 HydrophobicContact CE1-CE1 4.16Å; W184-F237 HydrophobicContact CB-CE1 4.11Å; W184-F237 WeakPolarHBondContact O-CE1 3.3Å; P188-F237 HydrophobicContact CG-CD1 3.99Å; P188-F237 HydrophobicContact CG-CE1 3.78Å; P188-F237 HydrophobicContact CG-CG 4.48Å; P188-F237 HydrophobicContact CG-CZ 4.1Å; T230-F237 WeakPolarHBondContact CB-O 3.31Å; T230-F237 HydrophobicContact CG2-CB 3.76Å; T230-F237 HydrophobicContact CG2-CD2 4.39Å; T230-F237 HydrophobicContact CG2-CG 4.49Å; N234-F237 PolarHBondContact OD1-N 2.56Å; F237-Q239 PolarHBondContact O-N 3.25Å; F237-Q239 PolarHBondContact O-NE2 3.48Å |
| 238 | P | 97.8 | Very high | 95 | Very high | 26 Ų | 26 | 87.6 Ų | 87.6 | 17% | 0.169 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 131.1 | -178.2 | 27.7 | -34.3 | 0 | 0 | 0 | 110.2 | N177 A178 H232 N234 H236 | N177-P238 HydrophobicContact CB-CB 4.22Å; N177-P238 HydrophobicContact CB-CG 4.39Å; N177-P238 WeakPolarHBondContact CB-O 3.46Å; N177-P238 PolarHBondContact N-O 3.16Å; A178-P238 HydrophobicContact CB-CG 4.46Å; H232-P238 WeakPolarHBondContact O-CB 3.45Å; N234-P238 WeakPolarHBondContact O-CB 3.34Å; N234-P238 WeakPolarHBondContact O-CD 3.48Å; H236-P238 WeakPolarHBondContact O-CD 3.33Å |
| 239 | Q | 97.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 85.7 Ų | 85.7 | 1% | 0.014 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | trans | -91.5 | 157.8 | 177.3 | -54.3 | -59.4 | -54.6 | 0 | 0 | 111.7 | F175 H226 M227 T230 G231 H232 F237 | F175-Q239 CarbonylContact O-C 3.48Å; F175-Q239 VanDerWaalsContact O-CA 3.31Å; F175-Q239 WeakPolarHBondContact O-CA 3.33Å; F175-Q239 PolarHBondContact O-OE1 2.94Å; H226-Q239 PolarHBondContact NE2-NE2 3.01Å; M227-Q239 HydrophobicContact CB-CG 4.46Å; M227-Q239 HydrophobicContact CE-CB 4.3Å; M227-Q239 HydrophobicContact CG-CG 4.36Å; T230-Q239 VanDerWaalsContact OG1-CG 3.23Å; T230-Q239 WeakPolarHBondContact OG1-CG 3.37Å; T230-Q239 PolarHBondContact OG1-NE2 3.35Å; T230-Q239 VanDerWaalsContact OG1-NE2 3.1Å; G231-Q239 PolarHBondContact O-N 3.4Å; H232-Q239 WeakPolarHBondContact CA-O 3.44Å; H232-Q239 PolarHBondContact ND1-O 3.46Å; F237-Q239 PolarHBondContact O-N 3.25Å; F237-Q239 PolarHBondContact O-NE2 3.48Å |
| 240 | V | 96.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 89.6 Ų | 89.6 | 34% | 0.339 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 138.1 | 169.6 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | F175 I242 | F175-V240 WeakPolarHBondContact O-CG2 3.47Å; F175-V240 PolarHBondContact O-N 3.38Å; V240-I242 PolarHBondContact O-N 3.42Å |
| 241 | L | 97 | Very high | 94 | Very high | 80 Ų | 80 | 90.1 Ų | 90.1 | 42% | 0.419 | 46% | 0.456 | S | S | . | . | trans | -75.4 | 115.1 | 179.8 | -176.6 | 59.6 | 0 | 0 | 0 | 110.3 | H232 Q243 | H232-L241 HydrophobicContact CB-CD1 4.11Å; L241-Q243 HydrophobicContact CD1-CG 4.16Å; L241-Q243 HydrophobicContact CG-CG 4.05Å | ||
| 242 | I | 96.3 | Very high | 93.9 | Very high | 39 Ų | 39 | 91.2 Ų | 91.2 | 20% | 0.2 | 46% | 0.458 | C | S | . | . | trans | -109.5 | 128.4 | 173.9 | -59.7 | 173.6 | 0 | 0 | 0 | 108.1 | M227 V240 G373 P375 | M227-I242 HydrophobicContact CE-CD1 4.1Å; V240-I242 PolarHBondContact O-N 3.42Å; I242-G373 WeakPolarHBondContact O-CA 3.47Å; I242-P375 HydrophobicContact CD1-CB 3.99Å; I242-P375 HydrophobicContact CD1-CG 4.24Å | ||
| 243 | Q | 95.2 | Very high | 93.8 | Very high | 133 Ų | 133 | 94.8 Ų | 94.8 | 62% | 0.621 | 47% | 0.47 | S | S | * | . | trans | -130.2 | 149.8 | -178.3 | -70.1 | -175.6 | -16 | 0 | 0 | 111.3 | L241 | L241-Q243 HydrophobicContact CD1-CG 4.16Å; L241-Q243 HydrophobicContact CG-CG 4.05Å | ||
| 244 | P | 94.6 | Very high | 93.7 | Very high | 57 Ų | 57 | 90.8 Ų | 90.8 | 37% | 0.37 | 47% | 0.47 | S | S | . | . | trans | -65.4 | 146.1 | 171.4 | 29.4 | -34.5 | 0 | 0 | 0 | 110.2 | S246 S370 | P244-S246 PolarHBondContact O-N 3.11Å; P244-S370 VanDerWaalsContact CA-OG 3.31Å; P244-S370 WeakPolarHBondContact CA-OG 3.34Å | ||
| 245 | R | 87.8 | Confident | 93.5 | Very high | 141 Ų | 141 | 95.3 Ų | 95.3 | 53% | 0.532 | 49% | 0.49 | S | S | . | . | trans | -65.5 | 125.4 | 172.6 | -66 | -177.1 | -172.3 | 169.9 | 2.9 | 109.6 | P316 D319 | R245-P316 VanDerWaalsContact NH1-CD 3.31Å; R245-D319 IonicContact CZ-OD2 3.93Å; R245-D319 IonicContact NH1-OD2 2.88Å; R245-D319 IonicContact NH2-OD1 3.19Å; R245-D319 IonicContact NH2-OD2 3.83Å; R245-D319 PolarHBondContact NH2-OD2 2.94Å | ||
| 246 | S | 87.7 | Confident | 93.4 | Very high | 114 Ų | 114 | 88.9 Ų | 88.9 | 80% | 0.797 | 46% | 0.461 | S | S | * | . | trans | -98.1 | -14.7 | 177.2 | 52 | 0 | 0 | 0 | 0 | 113.3 | P244 | P244-S246 PolarHBondContact O-N 3.11Š| ||
| 247 | E | 88.1 | Confident | 93.5 | Very high | 161 Ų | 161 | 86 Ų | 86 | 75% | 0.752 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -134.9 | 156 | -171.9 | -65 | -179.3 | -170.8 | 0 | 0 | 111.5 | ||
| 248 | L | 87.6 | Confident | 93.4 | Very high | 167 Ų | 167 | 87.9 Ų | 87.9 | 87% | 0.874 | 46% | 0.464 | S | S | * | . | trans | -70.7 | 128.3 | 173 | -72.7 | 162.7 | 0 | 0 | 0 | 109.1 | N250 | L248-N250 PolarHBondContact O-N 3.5Š| ||
| 249 | P | 87.3 | Confident | 93.4 | Very high | 55 Ų | 55 | 89 Ų | 89 | 36% | 0.357 | 48% | 0.476 | S | S | . | . | trans | -66 | 132.1 | 175.9 | 27.8 | -33.1 | 0 | 0 | 0 | 109.9 | I251 P316 | P249-I251 HydrophobicContact CB-CD1 4.39Å; P249-I251 HydrophobicContact CB-CG1 4.17Å; P249-I251 HydrophobicContact CG-CD1 4.03Å; P249-I251 HydrophobicContact CG-CG1 4.3Å; P249-I251 PolarHBondContact O-N 3.3Å; P249-I251 VanDerWaalsContact O-N 3.16Å; P249-P316 HydrophobicContact CB-CG 3.79Å; P249-P316 HydrophobicContact CG-CG 4.02Å | ||
| 250 | N | 89.1 | Confident | 93.4 | Very high | 156 Ų | 156 | 92.3 Ų | 92.3 | 83% | 0.834 | 49% | 0.491 | S | S | * | . | trans | -77.3 | 99.5 | 173.8 | -172.6 | 23.3 | 0 | 0 | 0 | 109.3 | L248 | L248-N250 PolarHBondContact O-N 3.5Š| ||
| 251 | I | 93 | Very high | 93.4 | Very high | 36 Ų | 36 | 90.5 Ų | 90.5 | 19% | 0.185 | 48% | 0.479 | C | S | . | . | trans | -105.7 | 113.7 | -176.9 | -59.9 | 172.8 | 0 | 0 | 0 | 109.5 | P249 S314 F317 | P249-I251 HydrophobicContact CB-CD1 4.39Å; P249-I251 HydrophobicContact CB-CG1 4.17Å; P249-I251 HydrophobicContact CG-CD1 4.03Å; P249-I251 HydrophobicContact CG-CG1 4.3Å; P249-I251 PolarHBondContact O-N 3.3Å; P249-I251 VanDerWaalsContact O-N 3.16Å; I251-S314 WeakPolarHBondContact CD1-O 3.23Å; I251-F317 HydrophobicContact CG2-CD2 4.5Å; I251-F317 HydrophobicContact CG2-CE1 4.16Å; I251-F317 HydrophobicContact CG2-CE2 3.85Å; I251-F317 HydrophobicContact CG2-CZ 3.65Å | ||
| 252 | T | 94.3 | Very high | 93.5 | Very high | 47 Ų | 47 | 93.7 Ų | 93.7 | 29% | 0.288 | 49% | 0.49 | S | S | . | . | trans | -98.2 | 100.2 | 172.8 | -49.1 | 0 | 0 | 0 | 0 | 109.4 | S254 E255 | T252-S254 WeakPolarHBondContact CG2-OG 3.48Å; T252-S254 PolarHBondContact O-N 3.12Å; T252-E255 HydrophobicContact CG2-CG 3.88Å; T252-E255 WeakPolarHBondContact O-CB 3.44Å; T252-E255 PolarHBondContact O-N 2.93Å | ||
| 253 | W | 94.2 | Very high | 93.6 | Very high | 131 Ų | 131 | 99 Ų | 99 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -58.2 | -25.4 | -174.6 | -72 | 89.5 | 0 | 0 | 0 | 115.1 | E255 I256 L311 F317 | W253-E255 PolarHBondContact O-N 3.49Å; W253-I256 WeakPolarHBondContact O-CB 3.12Å; W253-I256 VanDerWaalsContact O-CG2 3.24Å; W253-I256 WeakPolarHBondContact O-CG2 3.4Å; W253-I256 PolarHBondContact O-N 3.24Å; W253-L311 WeakPolarHBondContact CH2-O 3.46Å; W253-F317 HydrophobicContact CD2-CZ 4.29Å; W253-F317 HydrophobicContact CE3-CE1 4.29Å; W253-F317 AromaticContact CE3-CZ 3.99Å; W253-F317 HydrophobicContact CE3-CZ 3.99Å; W253-F317 HydrophobicContact CZ3-CE1 4.3Å; W253-F317 HydrophobicContact CZ3-CZ 4.45Å |
| 254 | S | 94.8 | Very high | 93.7 | Very high | 111 Ų | 111 | 92.9 Ų | 92.9 | 78% | 0.776 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -71.7 | -15.7 | 174.9 | 55.5 | 0 | 0 | 0 | 0 | 114 | T252 I256 | T252-S254 WeakPolarHBondContact CG2-OG 3.48Å; T252-S254 PolarHBondContact O-N 3.12Å; S254-I256 VanDerWaalsContact C-N 3.3Å |
| 255 | E | 93.5 | Very high | 93.9 | Very high | 140 Ų | 140 | 91.4 Ų | 91.4 | 65% | 0.654 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -89.4 | 4.3 | 178.6 | -63.7 | 175.9 | 175.4 | 0 | 0 | 112.7 | T252 W253 D257 | T252-E255 HydrophobicContact CG2-CG 3.88Å; T252-E255 WeakPolarHBondContact O-CB 3.44Å; T252-E255 PolarHBondContact O-N 2.93Å; W253-E255 PolarHBondContact O-N 3.49Å; E255-D257 PolarHBondContact O-N 2.78Å |
| 256 | I | 95.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 86 Ų | 86 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | trans | -62 | 121.5 | 179.2 | -163 | 173.9 | 0 | 0 | 0 | 111 | W253 S254 V258 L261 L311 F317 | W253-I256 WeakPolarHBondContact O-CB 3.12Å; W253-I256 VanDerWaalsContact O-CG2 3.24Å; W253-I256 WeakPolarHBondContact O-CG2 3.4Å; W253-I256 PolarHBondContact O-N 3.24Å; S254-I256 VanDerWaalsContact C-N 3.3Å; I256-V258 PolarHBondContact O-N 3.16Å; I256-L261 HydrophobicContact CD1-CD1 3.62Å; I256-L261 HydrophobicContact CD1-CD2 4.48Å; I256-L261 HydrophobicContact CD1-CG 4.43Å; I256-L261 HydrophobicContact CG1-CD1 3.96Å; I256-L261 HydrophobicContact CG1-CG 4.43Å; I256-L311 HydrophobicContact CD1-CD2 3.84Å; I256-F317 HydrophobicContact CB-CE1 4.46Å; I256-F317 HydrophobicContact CB-CE2 3.95Å; I256-F317 HydrophobicContact CB-CZ 3.92Å; I256-F317 HydrophobicContact CD1-CE1 3.94Å; I256-F317 HydrophobicContact CD1-CZ 4.14Å; I256-F317 HydrophobicContact CG1-CD1 4.37Å; I256-F317 HydrophobicContact CG1-CE1 4.08Å; I256-F317 HydrophobicContact CG1-CE2 4.31Å; I256-F317 HydrophobicContact CG1-CZ 4.04Å | ||
| 257 | D | 97.2 | Very high | 95 | Very high | 62 Ų | 62 | 80.9 Ų | 80.9 | 33% | 0.332 | 42% | 0.415 | S | S | . | . | trans | -90 | 102.3 | 173.6 | -174.2 | -27.8 | 0 | 0 | 0 | 109.9 | E255 A259 K260 L261 Y321 | E255-D257 PolarHBondContact O-N 2.78Å; D257-A259 VanDerWaalsContact C-N 3.26Å; D257-A259 PolarHBondContact O-N 2.96Å; D257-A259 WeakPolarHBondContact OD1-CA 3.16Å; D257-A259 WeakPolarHBondContact OD1-CB 3.41Å; D257-A259 PolarHBondContact OD1-N 3Å; D257-K260 HydrophobicContact CB-CB 3.99Å; D257-K260 HydrophobicContact CB-CD 3.94Å; D257-K260 HydrophobicContact CB-CG 4Å; D257-K260 PolarHBondContact O-N 3.42Å; D257-K260 PolarHBondContact OD1-N 3.05Å; D257-K260 WeakPolarHBondContact OD2-CG 3.3Å; D257-L261 PolarHBondContact O-N 3.49Å; D257-L261 VanDerWaalsContact O-N 3.07Å; D257-Y321 HydrophobicContact CB-CE2 4.43Å; D257-Y321 PolarHBondContact N-OH 3.28Å | ||
| 258 | V | 96.5 | Very high | 95.5 | Very high | 81 Ų | 81 | 73.2 Ų | 73.2 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.3 | -33.2 | 179.5 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | I256 L261 F262 | I256-V258 PolarHBondContact O-N 3.16Å; V258-L261 WeakPolarHBondContact O-CB 3.25Å; V258-L261 PolarHBondContact O-N 3.35Å; V258-F262 HydrophobicContact CG1-CD2 3.97Å; V258-F262 HydrophobicContact CG1-CE2 3.68Å; V258-F262 VanDerWaalsContact O-CD2 3.25Å; V258-F262 WeakPolarHBondContact O-CD2 3.28Å; V258-F262 PolarHBondContact O-N 3.1Å; V258-F262 VanDerWaalsContact O-N 3.11Å |
| 259 | A | 97.7 | Very high | 96 | Very high | 51 Ų | 51 | 65.2 Ų | 65.2 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D257 L261 F262 R263 | D257-A259 VanDerWaalsContact C-N 3.26Å; D257-A259 PolarHBondContact O-N 2.96Å; D257-A259 WeakPolarHBondContact OD1-CA 3.16Å; D257-A259 WeakPolarHBondContact OD1-CB 3.41Å; D257-A259 PolarHBondContact OD1-N 3Å; A259-L261 VanDerWaalsContact C-N 3.33Å; A259-F262 PolarHBondContact O-N 2.97Å; A259-R263 VanDerWaalsContact O-CG 3.29Å; A259-R263 WeakPolarHBondContact O-CG 3.44Å; A259-R263 PolarHBondContact O-N 3.28Å |
| 260 | K | 97.9 | Very high | 96.6 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 31% | 0.313 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.2 | -31.5 | 172.1 | -70.9 | -177.7 | -172.6 | -179.5 | 0 | 112.9 | D257 R263 S264 E318 Y321 | D257-K260 HydrophobicContact CB-CB 3.99Å; D257-K260 HydrophobicContact CB-CD 3.94Å; D257-K260 HydrophobicContact CB-CG 4Å; D257-K260 PolarHBondContact O-N 3.42Å; D257-K260 PolarHBondContact OD1-N 3.05Å; D257-K260 WeakPolarHBondContact OD2-CG 3.3Å; K260-R263 CarbonylContact O-C 3.59Å; K260-R263 PolarHBondContact O-N 3.4Å; K260-S264 PolarHBondContact O-N 3.23Å; K260-E318 IonicContact NZ-OE1 3.9Å; K260-Y321 HydrophobicContact CB-CD1 3.47Å; K260-Y321 VanDerWaalsContact CB-CD1 3.47Å; K260-Y321 HydrophobicContact CB-CD2 3.92Å; K260-Y321 HydrophobicContact CB-CE1 3.62Å; K260-Y321 HydrophobicContact CB-CE2 4.04Å; K260-Y321 HydrophobicContact CB-CG 3.64Å; K260-Y321 HydrophobicContact CD-CD2 3.44Å; K260-Y321 VanDerWaalsContact CD-CD2 3.44Å; K260-Y321 HydrophobicContact CD-CE2 3.63Å; K260-Y321 HydrophobicContact CD-CG 3.94Å; K260-Y321 HydrophobicContact CG-CD2 4.34Å; K260-Y321 HydrophobicContact CG-CG 4.41Å |
| 261 | L | 97.4 | Very high | 97 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 170.3 | -65.8 | 173 | 0 | 0 | 0 | 111.6 | I256 D257 V258 A259 R263 S264 M307 L311 I320 Y321 | I256-L261 HydrophobicContact CD1-CD1 3.62Å; I256-L261 HydrophobicContact CD1-CD2 4.48Å; I256-L261 HydrophobicContact CD1-CG 4.43Å; I256-L261 HydrophobicContact CG1-CD1 3.96Å; I256-L261 HydrophobicContact CG1-CG 4.43Å; D257-L261 PolarHBondContact O-N 3.49Å; D257-L261 VanDerWaalsContact O-N 3.07Å; V258-L261 WeakPolarHBondContact O-CB 3.25Å; V258-L261 PolarHBondContact O-N 3.35Å; A259-L261 VanDerWaalsContact C-N 3.33Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 3.35Å; L261-S264 PolarHBondContact O-N 3.02Å; L261-S264 VanDerWaalsContact O-N 3.09Å; L261-S264 PolarHBondContact O-OG 2.87Å; L261-M307 HydrophobicContact CB-SD 3.87Å; L261-M307 HydrophobicContact CD2-CG 4.19Å; L261-M307 HydrophobicContact CD2-SD 4.27Å; L261-L311 HydrophobicContact CD1-CD1 4.35Å; L261-L311 HydrophobicContact CD2-CD1 4.17Å; L261-L311 HydrophobicContact CD2-CD2 4.16Å; L261-L311 HydrophobicContact CD2-CG 4.47Å; L261-I320 HydrophobicContact CD2-CG2 4.04Å; L261-Y321 HydrophobicContact CD2-CD1 4.26Å; L261-Y321 HydrophobicContact CD2-CE1 3.65Å; L261-Y321 HydrophobicContact CG-CE1 3.94Å |
| 262 | F | 97.5 | Very high | 97.3 | Very high | 146 Ų | 146 | 54.6 Ų | 54.6 | 64% | 0.64 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.1 | -36.1 | 176.4 | -76.4 | -73.8 | 0 | 0 | 0 | 112.2 | V258 A259 S264 I265 P266 | V258-F262 HydrophobicContact CG1-CD2 3.97Å; V258-F262 HydrophobicContact CG1-CE2 3.68Å; V258-F262 VanDerWaalsContact O-CD2 3.25Å; V258-F262 WeakPolarHBondContact O-CD2 3.28Å; V258-F262 PolarHBondContact O-N 3.1Å; V258-F262 VanDerWaalsContact O-N 3.11Å; A259-F262 PolarHBondContact O-N 2.97Å; F262-S264 VanDerWaalsContact C-N 3.29Å; F262-S264 PolarHBondContact O-N 3.24Å; F262-I265 PolarHBondContact O-N 3.1Å; F262-P266 WeakPolarHBondContact O-CD 3.43Å |
| 263 | R | 98.3 | Very high | 97.5 | Very high | 152 Ų | 152 | 52.4 Ų | 52.4 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -67.2 | -27.1 | 173.6 | -70.3 | 172.4 | -177.5 | 178.1 | 2.5 | 112.8 | A259 K260 L261 I265 P266 V267 | A259-R263 VanDerWaalsContact O-CG 3.29Å; A259-R263 WeakPolarHBondContact O-CG 3.44Å; A259-R263 PolarHBondContact O-N 3.28Å; K260-R263 CarbonylContact O-C 3.59Å; K260-R263 PolarHBondContact O-N 3.4Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 3.35Å; R263-I265 PolarHBondContact O-N 3.03Å; R263-P266 WeakPolarHBondContact O-CD 3.22Å; R263-P266 VanDerWaalsContact O-CG 3.25Å; R263-P266 WeakPolarHBondContact O-CG 3.46Å; R263-V267 WeakPolarHBondContact O-CG2 3.5Å; R263-V267 PolarHBondContact O-N 3.18Å |
| 264 | S | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.1 | -19 | 178.6 | 75.6 | 0 | 0 | 0 | 0 | 113 | K260 L261 F262 G268 M307 I320 | K260-S264 PolarHBondContact O-N 3.23Å; L261-S264 PolarHBondContact O-N 3.02Å; L261-S264 VanDerWaalsContact O-N 3.09Å; L261-S264 PolarHBondContact O-OG 2.87Å; F262-S264 VanDerWaalsContact C-N 3.29Å; F262-S264 PolarHBondContact O-N 3.24Å; S264-G268 PolarHBondContact O-N 3.39Å; S264-M307 WeakPolarHBondContact OG-CG 3.4Å; S264-I320 WeakPolarHBondContact CB-O 3.31Å |
| 265 | I | 98.8 | Very high | 97.9 | Very high | 27 Ų | 27 | 41.2 Ų | 41.2 | 14% | 0.138 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -59.4 | 176.7 | -61.8 | 174.4 | 0 | 0 | 0 | 111.2 | F262 R263 V267 G268 I269 V300 S303 A304 M307 | F262-I265 PolarHBondContact O-N 3.1Å; R263-I265 PolarHBondContact O-N 3.03Å; I265-V267 VanDerWaalsContact C-N 3.33Å; I265-V267 PolarHBondContact O-N 3Å; I265-G268 PolarHBondContact O-N 3.03Å; I265-I269 PolarHBondContact O-N 3.41Å; I265-V300 HydrophobicContact CG2-CG1 3.97Å; I265-S303 WeakPolarHBondContact CA-OG 3.21Å; I265-S303 WeakPolarHBondContact O-CB 3.49Å; I265-S303 PolarHBondContact O-OG 3.28Å; I265-A304 HydrophobicContact CD1-CB 4.14Å; I265-A304 HydrophobicContact CG1-CB 4.35Å; I265-M307 HydrophobicContact CG1-SD 4.35Å |
| 266 | P | 98.8 | Very high | 98.1 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -36.3 | 174 | 23.8 | -32.9 | 0 | 0 | 0 | 112.1 | F262 R263 G268 I269 G270 P278 G281 I285 | F262-P266 WeakPolarHBondContact O-CD 3.43Å; R263-P266 WeakPolarHBondContact O-CD 3.22Å; R263-P266 VanDerWaalsContact O-CG 3.25Å; R263-P266 WeakPolarHBondContact O-CG 3.46Å; P266-G268 VanDerWaalsContact C-N 3.34Å; P266-G268 PolarHBondContact O-N 3.2Å; P266-I269 WeakPolarHBondContact O-CB 3.41Å; P266-I269 PolarHBondContact O-N 3.05Å; P266-I269 VanDerWaalsContact O-N 3.09Å; P266-G270 PolarHBondContact O-N 3.35Å; P266-P278 HydrophobicContact CG-CB 4.42Å; P266-G281 WeakPolarHBondContact O-CA 3.38Å; P266-I285 HydrophobicContact CB-CD1 4.1Å |
| 267 | V | 98.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | R263 I265 I269 G270 Q271 D276 P278 F322 | R263-V267 WeakPolarHBondContact O-CG2 3.5Å; R263-V267 PolarHBondContact O-N 3.18Å; I265-V267 VanDerWaalsContact C-N 3.33Å; I265-V267 PolarHBondContact O-N 3Å; V267-I269 PolarHBondContact O-N 3.22Å; V267-G270 CarbonylContact O-C 3.57Å; V267-G270 WeakPolarHBondContact O-CA 3.39Å; V267-G270 PolarHBondContact O-N 2.66Å; V267-Q271 HydrophobicContact CG1-CG 4.27Å; V267-Q271 WeakPolarHBondContact O-CG 3.33Å; V267-Q271 PolarHBondContact O-N 3.26Å; V267-D276 WeakPolarHBondContact CG2-O 3.45Å; V267-P278 HydrophobicContact CG2-CB 3.77Å; V267-P278 HydrophobicContact CG2-CG 4.43Å; V267-F322 WeakPolarHBondContact CG1-O 3.37Å |
| 268 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -30.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S264 I265 P266 Y327 | S264-G268 PolarHBondContact O-N 3.39Å; I265-G268 PolarHBondContact O-N 3.03Å; P266-G268 VanDerWaalsContact C-N 3.34Å; P266-G268 PolarHBondContact O-N 3.2Å; G268-Y327 WeakPolarHBondContact O-CA 3.42Å; G268-Y327 WeakPolarHBondContact O-CB 3.45Å; G268-Y327 PolarHBondContact O-N 2.94Å |
| 269 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.9 | -40.2 | 171.4 | -64.2 | 170.3 | 0 | 0 | 0 | 110.7 | M109 I265 P266 V267 Q271 V272 F284 I285 A299 V300 V330 | M109-I269 HydrophobicContact CE-CG2 4.18Å; M109-I269 HydrophobicContact SD-CG2 4.48Å; I265-I269 PolarHBondContact O-N 3.41Å; P266-I269 WeakPolarHBondContact O-CB 3.41Å; P266-I269 PolarHBondContact O-N 3.05Å; P266-I269 VanDerWaalsContact O-N 3.09Å; V267-I269 PolarHBondContact O-N 3.22Å; I269-Q271 VanDerWaalsContact C-N 3.31Å; I269-Q271 PolarHBondContact O-N 3.3Å; I269-V272 VanDerWaalsContact O-CB 3.31Å; I269-V272 WeakPolarHBondContact O-CB 3.16Å; I269-V272 WeakPolarHBondContact O-CG2 3.23Å; I269-V272 PolarHBondContact O-N 3.25Å; I269-F284 HydrophobicContact CG2-CB 3.94Å; I269-I285 HydrophobicContact CD1-CD1 3.8Å; I269-I285 HydrophobicContact CD1-CG1 3.48Å; I269-I285 VanDerWaalsContact CD1-CG1 3.48Å; I269-I285 HydrophobicContact CG2-CG1 4.43Å; I269-A299 HydrophobicContact CD1-CB 4.23Å; I269-V300 HydrophobicContact CD1-CG2 4.02Å; I269-V330 HydrophobicContact CG1-CG1 4.39Å; I269-V330 HydrophobicContact CG1-CG2 3.81Å |
| 270 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.4 | -42 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | P266 V267 V272 Y273 C275 | P266-G270 PolarHBondContact O-N 3.35Å; V267-G270 CarbonylContact O-C 3.57Å; V267-G270 WeakPolarHBondContact O-CA 3.39Å; V267-G270 PolarHBondContact O-N 2.66Å; G270-V272 PolarHBondContact O-N 3.36Å; G270-V272 VanDerWaalsContact O-N 3.08Å; G270-Y273 PolarHBondContact O-N 3.18Å; G270-C275 CarbonylContact C-O 3.45Å; G270-C275 WeakPolarHBondContact CA-O 3.37Å; G270-C275 WeakPolarHBondContact O-CB 3.31Å; G270-C275 PolarHBondContact O-N 3.25Å; G270-C275 VanDerWaalsContact O-N 3.08Å |
| 271 | Q | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -65 | -13.3 | -178.4 | -75.6 | -65.8 | 2.1 | 0 | 0 | 113.8 | V267 I269 Y273 G274 C275 F322 Y327 | V267-Q271 HydrophobicContact CG1-CG 4.27Å; V267-Q271 WeakPolarHBondContact O-CG 3.33Å; V267-Q271 PolarHBondContact O-N 3.26Å; I269-Q271 VanDerWaalsContact C-N 3.31Å; I269-Q271 PolarHBondContact O-N 3.3Å; Q271-Y273 PolarHBondContact O-N 2.9Å; Q271-G274 PolarHBondContact O-N 3.12Å; Q271-C275 PolarHBondContact N-O 3.41Å; Q271-F322 VanDerWaalsContact CG-O 3.23Å; Q271-F322 WeakPolarHBondContact CG-O 3.46Å; Q271-F322 PolarHBondContact NE2-O 3.49Å; Q271-Y327 HydrophobicContact CB-CD1 3.96Å; Q271-Y327 HydrophobicContact CB-CG 4Å |
| 272 | V | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -57.1 | -31.4 | 168.1 | 175 | 0 | 0 | 0 | 0 | 111.2 | V108 M109 L167 I269 G270 V330 L331 | V108-V272 HydrophobicContact CG1-CG1 3.58Å; M109-V272 HydrophobicContact CE-CG2 4.26Å; M109-V272 HydrophobicContact CG-CG1 3.9Å; M109-V272 HydrophobicContact SD-CG1 4.29Å; L167-V272 WeakPolarHBondContact CD2-O 3.14Å; I269-V272 VanDerWaalsContact O-CB 3.31Å; I269-V272 WeakPolarHBondContact O-CB 3.16Å; I269-V272 WeakPolarHBondContact O-CG2 3.23Å; I269-V272 PolarHBondContact O-N 3.25Å; G270-V272 PolarHBondContact O-N 3.36Å; G270-V272 VanDerWaalsContact O-N 3.08Å; V272-V330 HydrophobicContact CG2-CB 4.11Å; V272-V330 HydrophobicContact CG2-CG1 3.91Å; V272-L331 HydrophobicContact CG1-CD1 4.19Å; V272-L331 HydrophobicContact CG1-CD2 3.85Å; V272-L331 HydrophobicContact CG1-CG 4.15Å; V272-L331 HydrophobicContact CG2-CG 4.32Å |
| 273 | Y | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -106.9 | 12.9 | 174.5 | -64.8 | -96.5 | 0 | 0 | 0 | 112.7 | A105 V108 M109 I120 L124 I166 L167 L170 G270 Q271 F284 | A105-Y273 WeakPolarHBondContact O-CE1 3.13Å; A105-Y273 PolarHBondContact O-OH 3.42Å; V108-Y273 HydrophobicContact CB-CE1 3.71Å; V108-Y273 HydrophobicContact CB-CE2 4.42Å; V108-Y273 WeakPolarHBondContact CB-OH 3.39Å; V108-Y273 HydrophobicContact CG1-CD1 4.36Å; V108-Y273 HydrophobicContact CG1-CE1 3.85Å; V108-Y273 HydrophobicContact CG1-CE2 4.08Å; V108-Y273 HydrophobicContact CG2-CD1 4.41Å; V108-Y273 HydrophobicContact CG2-CE1 3.63Å; M109-Y273 HydrophobicContact CG-CE2 4.01Å; M109-Y273 HydrophobicContact SD-CE2 3.95Å; I120-Y273 WeakPolarHBondContact CD1-OH 3.09Å; I120-Y273 HydrophobicContact CG2-CD1 4.44Å; I120-Y273 HydrophobicContact CG2-CE1 3.85Å; I120-Y273 HydrophobicContact CG2-CE2 4.38Å; L124-Y273 HydrophobicContact CD2-CD1 4.42Å; L124-Y273 HydrophobicContact CD2-CG 4.38Å; I166-Y273 HydrophobicContact CG2-CE1 4.44Å; L167-Y273 HydrophobicContact CD2-CD1 4.4Å; L170-Y273 HydrophobicContact CD1-CD1 3.78Å; L170-Y273 HydrophobicContact CD1-CG 4.4Å; G270-Y273 PolarHBondContact O-N 3.18Å; Q271-Y273 PolarHBondContact O-N 2.9Å; Y273-F284 AromaticContact CD2-CD2 3.8Å; Y273-F284 HydrophobicContact CD2-CD2 3.8Å; Y273-F284 AromaticContact CD2-CE2 3.41Å; Y273-F284 HydrophobicContact CD2-CE2 3.41Å; Y273-F284 VanDerWaalsContact CD2-CE2 3.41Å; Y273-F284 HydrophobicContact CD2-CZ 4.03Å; Y273-F284 HydrophobicContact CE2-CD2 4.17Å; Y273-F284 HydrophobicContact CE2-CE2 4.11Å; Y273-F284 AromaticContact CG-CE2 3.94Å; Y273-F284 HydrophobicContact CG-CE2 3.94Å; Y273-F284 HydrophobicContact CG-CZ 4.26Å |
| 274 | G | 98.1 | Very high | 98.6 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 7% | 0.072 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 25.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W131 Q271 | W131-G274 VanDerWaalsContact CZ3-O 3.28Å; W131-G274 WeakPolarHBondContact CZ3-O 3.15Å; Q271-G274 PolarHBondContact O-N 3.12Å |
| 275 | C | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -101.2 | 126.9 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 111 | Q127 G270 Q271 T280 | Q127-C275 HydrophobicContact CB-CB 4.3Å; Q127-C275 HydrophobicContact CG-CB 3.89Å; G270-C275 CarbonylContact C-O 3.45Å; G270-C275 WeakPolarHBondContact CA-O 3.37Å; G270-C275 WeakPolarHBondContact O-CB 3.31Å; G270-C275 PolarHBondContact O-N 3.25Å; G270-C275 VanDerWaalsContact O-N 3.08Å; Q271-C275 PolarHBondContact N-O 3.41Å; C275-T280 HydrophobicContact CB-CG2 3.7Å | ||
| 276 | D | 97.5 | Very high | 98.6 | Very high | 60 Ų | 60 | 29 Ų | 29 | 32% | 0.321 | 15% | 0.15 | S | C | . | . | trans | -98.6 | -8.4 | -179.7 | 64.4 | -8.1 | 0 | 0 | 0 | 113.7 | Q127 V267 P278 F322 | Q127-D276 PolarHBondContact NE2-OD1 3.49Å; Q127-D276 PolarHBondContact OE1-OD1 3.28Å; V267-D276 WeakPolarHBondContact CG2-O 3.45Å; D276-P278 WeakPolarHBondContact O-CD 3.37Å; D276-F322 HydrophobicContact CB-CD2 3.96Å; D276-F322 HydrophobicContact CB-CE1 4.16Å; D276-F322 HydrophobicContact CB-CE2 3.34Å; D276-F322 HydrophobicContact CB-CZ 3.45Å; D276-F322 VanDerWaalsContact CB-CZ 3.45Å; D276-F322 WeakPolarHBondContact OD2-CE2 3.48Å; D276-F322 VanDerWaalsContact OD2-CZ 3.3Å; D276-F322 WeakPolarHBondContact OD2-CZ 3.17Å | ||
| 277 | N | 98.4 | Very high | 98.6 | Very high | 40 Ų | 40 | 27.8 Ų | 27.8 | 21% | 0.214 | 14% | 0.142 | C | C | . | . | trans | -74.6 | 121.1 | 178.8 | -173.9 | -22.9 | 0 | 0 | 0 | 111 | W279 T280 G281 | N277-W279 PolarHBondContact O-N 2.94Å; N277-W279 WeakPolarHBondContact OD1-CB 3.14Å; N277-W279 VanDerWaalsContact OD1-CD1 3.3Å; N277-W279 PolarHBondContact OD1-N 2.95Å; N277-T280 WeakPolarHBondContact O-CB 3.44Å; N277-T280 PolarHBondContact O-N 3.43Å; N277-T280 VanDerWaalsContact O-N 3.11Å; N277-G281 PolarHBondContact O-N 3.23Å; N277-G281 VanDerWaalsContact O-N 3.11Å | ||
| 278 | P | 98.4 | Very high | 98.6 | Very high | 46 Ų | 46 | 27.6 Ų | 27.6 | 30% | 0.299 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.9 | -29.5 | 179.7 | 23.4 | -33.9 | 0 | 0 | 0 | 113.1 | P266 V267 D276 G281 G282 | P266-P278 HydrophobicContact CG-CB 4.42Å; V267-P278 HydrophobicContact CG2-CB 3.77Å; V267-P278 HydrophobicContact CG2-CG 4.43Å; D276-P278 WeakPolarHBondContact O-CD 3.37Å; P278-G281 PolarHBondContact O-N 3.45Å; P278-G282 PolarHBondContact O-N 3.18Å |
| 279 | W | 98.6 | Very high | 98.6 | Very high | 194 Ų | 194 | 33.5 Ų | 33.5 | 74% | 0.735 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -70.5 | -39.2 | 177.2 | -60.6 | 109 | 0 | 0 | 0 | 111.7 | L126 N277 G281 G282 I283 | L126-W279 HydrophobicContact CD2-CB 3.8Å; N277-W279 PolarHBondContact O-N 2.94Å; N277-W279 WeakPolarHBondContact OD1-CB 3.14Å; N277-W279 VanDerWaalsContact OD1-CD1 3.3Å; N277-W279 PolarHBondContact OD1-N 2.95Å; W279-G281 VanDerWaalsContact C-N 3.32Å; W279-G282 PolarHBondContact O-N 2.99Å; W279-I283 WeakPolarHBondContact O-CG1 3.49Å; W279-I283 PolarHBondContact O-N 3.15Å |
| 280 | T | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 171.7 | -65.7 | 0 | 0 | 0 | 0 | 110.6 | G123 Q127 C275 N277 G282 I283 F284 | G123-T280 WeakPolarHBondContact O-CG2 3.48Å; G123-T280 PolarHBondContact O-OG1 3.31Å; Q127-T280 HydrophobicContact CB-CG2 4.22Å; C275-T280 HydrophobicContact CB-CG2 3.7Å; N277-T280 WeakPolarHBondContact O-CB 3.44Å; N277-T280 PolarHBondContact O-N 3.43Å; N277-T280 VanDerWaalsContact O-N 3.11Å; T280-G282 VanDerWaalsContact C-N 3.34Å; T280-G282 PolarHBondContact O-N 2.82Å; T280-I283 WeakPolarHBondContact O-CB 3.3Å; T280-I283 PolarHBondContact O-N 3.25Å; T280-F284 HydrophobicContact CG2-CD1 4.48Å; T280-F284 HydrophobicContact CG2-CD2 4.41Å; T280-F284 HydrophobicContact CG2-CE1 3.8Å; T280-F284 HydrophobicContact CG2-CE2 3.71Å; T280-F284 HydrophobicContact CG2-CZ 3.36Å; T280-F284 WeakPolarHBondContact O-CD1 3.49Å; T280-F284 WeakPolarHBondContact O-CG 3.27Å; T280-F284 PolarHBondContact O-N 2.98Å |
| 281 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.1 | -43.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P266 N277 P278 W279 I283 F284 I285 | P266-G281 WeakPolarHBondContact O-CA 3.38Å; N277-G281 PolarHBondContact O-N 3.23Å; N277-G281 VanDerWaalsContact O-N 3.11Å; P278-G281 PolarHBondContact O-N 3.45Å; W279-G281 VanDerWaalsContact C-N 3.32Å; G281-I283 PolarHBondContact O-N 3.42Å; G281-F284 PolarHBondContact O-N 3.37Å; G281-I285 WeakPolarHBondContact O-CG1 3.32Å; G281-I285 PolarHBondContact O-N 2.91Å |
| 282 | G | 98.7 | Very high | 98.4 | Very high | 24 Ų | 24 | 34.4 Ų | 34.4 | 25% | 0.247 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P278 W279 T280 F284 I285 I286 | P278-G282 PolarHBondContact O-N 3.18Å; W279-G282 PolarHBondContact O-N 2.99Å; T280-G282 VanDerWaalsContact C-N 3.34Å; T280-G282 PolarHBondContact O-N 2.82Å; G282-F284 VanDerWaalsContact C-N 3.32Å; G282-F284 PolarHBondContact O-N 3.06Å; G282-I285 WeakPolarHBondContact O-CB 3.43Å; G282-I285 PolarHBondContact O-N 3.04Å; G282-I286 WeakPolarHBondContact O-CG1 3.3Å; G282-I286 PolarHBondContact O-N 3.09Å; G282-I286 VanDerWaalsContact O-N 3.12Å |
| 283 | I | 98.8 | Very high | 98.3 | Very high | 42 Ų | 42 | 37 Ų | 37 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -39.8 | 174 | -70.1 | 169.8 | 0 | 0 | 0 | 110.7 | V119 L126 W279 T280 G281 I286 S287 | V119-I283 HydrophobicContact CG1-CG2 3.53Å; V119-I283 WeakPolarHBondContact O-CG2 3.31Å; L126-I283 HydrophobicContact CD2-CD1 3.55Å; W279-I283 WeakPolarHBondContact O-CG1 3.49Å; W279-I283 PolarHBondContact O-N 3.15Å; T280-I283 WeakPolarHBondContact O-CB 3.3Å; T280-I283 PolarHBondContact O-N 3.25Å; G281-I283 PolarHBondContact O-N 3.42Å; I283-I286 PolarHBondContact O-N 2.99Å; I283-S287 PolarHBondContact O-N 3Å |
| 284 | F | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 175.8 | -62.6 | -9.8 | 0 | 0 | 0 | 112 | I120 L124 I269 Y273 T280 G281 G282 I286 S287 L288 | I120-F284 HydrophobicContact CB-CD1 4.35Å; I120-F284 HydrophobicContact CB-CE1 4.21Å; I120-F284 HydrophobicContact CG1-CD1 3.95Å; I120-F284 HydrophobicContact CG1-CE1 4.28Å; I120-F284 HydrophobicContact CG2-CD1 4.45Å; I120-F284 HydrophobicContact CG2-CE1 3.96Å; I120-F284 HydrophobicContact CG2-CZ 4.38Å; I120-F284 WeakPolarHBondContact O-CE1 3.28Å; L124-F284 HydrophobicContact CD2-CZ 3.9Å; L124-F284 HydrophobicContact CG-CZ 4.21Å; I269-F284 HydrophobicContact CG2-CB 3.94Å; Y273-F284 AromaticContact CD2-CD2 3.8Å; Y273-F284 HydrophobicContact CD2-CD2 3.8Å; Y273-F284 AromaticContact CD2-CE2 3.41Å; Y273-F284 HydrophobicContact CD2-CE2 3.41Å; Y273-F284 VanDerWaalsContact CD2-CE2 3.41Å; Y273-F284 HydrophobicContact CD2-CZ 4.03Å; Y273-F284 HydrophobicContact CE2-CD2 4.17Å; Y273-F284 HydrophobicContact CE2-CE2 4.11Å; Y273-F284 AromaticContact CG-CE2 3.94Å; Y273-F284 HydrophobicContact CG-CE2 3.94Å; Y273-F284 HydrophobicContact CG-CZ 4.26Å; T280-F284 HydrophobicContact CG2-CD1 4.48Å; T280-F284 HydrophobicContact CG2-CD2 4.41Å; T280-F284 HydrophobicContact CG2-CE1 3.8Å; T280-F284 HydrophobicContact CG2-CE2 3.71Å; T280-F284 HydrophobicContact CG2-CZ 3.36Å; T280-F284 WeakPolarHBondContact O-CD1 3.49Å; T280-F284 WeakPolarHBondContact O-CG 3.27Å; T280-F284 PolarHBondContact O-N 2.98Å; G281-F284 PolarHBondContact O-N 3.37Å; G282-F284 VanDerWaalsContact C-N 3.32Å; G282-F284 PolarHBondContact O-N 3.06Å; F284-I286 VanDerWaalsContact C-N 3.31Å; F284-I286 PolarHBondContact O-N 2.94Å; F284-S287 WeakPolarHBondContact O-CB 3.31Å; F284-S287 PolarHBondContact O-N 3.13Å; F284-S287 VanDerWaalsContact O-N 3.15Å; F284-L288 WeakPolarHBondContact O-CG 3.17Å; F284-L288 PolarHBondContact O-N 3.21Å |
| 285 | I | 98.8 | Very high | 98.3 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.3 | -46.8 | 171.6 | -67.1 | 169.3 | 0 | 0 | 0 | 110.7 | P266 I269 G281 G282 S287 L288 F289 V300 | P266-I285 HydrophobicContact CB-CD1 4.1Å; I269-I285 HydrophobicContact CD1-CD1 3.8Å; I269-I285 HydrophobicContact CD1-CG1 3.48Å; I269-I285 VanDerWaalsContact CD1-CG1 3.48Å; I269-I285 HydrophobicContact CG2-CG1 4.43Å; G281-I285 WeakPolarHBondContact O-CG1 3.32Å; G281-I285 PolarHBondContact O-N 2.91Å; G282-I285 WeakPolarHBondContact O-CB 3.43Å; G282-I285 PolarHBondContact O-N 3.04Å; I285-S287 VanDerWaalsContact C-N 3.32Å; I285-S287 PolarHBondContact O-N 2.91Å; I285-L288 PolarHBondContact O-N 3Å; I285-F289 WeakPolarHBondContact O-CB 3.36Å; I285-F289 PolarHBondContact O-N 3.34Å; I285-V300 HydrophobicContact CD1-CG2 4.28Å; I285-V300 HydrophobicContact CG1-CG2 4.41Å |
| 286 | I | 98.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 39 Ų | 39 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.9 | -64.9 | 166.7 | 0 | 0 | 0 | 110.5 | G282 I283 F284 L288 F289 I290 | G282-I286 WeakPolarHBondContact O-CG1 3.3Å; G282-I286 PolarHBondContact O-N 3.09Å; G282-I286 VanDerWaalsContact O-N 3.12Å; I283-I286 PolarHBondContact O-N 2.99Å; F284-I286 VanDerWaalsContact C-N 3.31Å; F284-I286 PolarHBondContact O-N 2.94Å; I286-L288 PolarHBondContact O-N 3.2Å; I286-F289 PolarHBondContact O-N 2.84Å; I286-I290 HydrophobicContact CG2-CD1 4.04Å; I286-I290 HydrophobicContact CG2-CG1 4.47Å; I286-I290 VanDerWaalsContact O-CG1 3.3Å; I286-I290 WeakPolarHBondContact O-CG1 3.48Å; I286-I290 PolarHBondContact O-N 2.78Å |
| 287 | S | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.3 | -45.1 | 177 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | S116 I120 I283 F284 I285 | S116-S287 WeakPolarHBondContact CA-OG 3.47Å; S116-S287 WeakPolarHBondContact CB-O 3.3Å; S116-S287 WeakPolarHBondContact CB-OG 3.09Å; S116-S287 PolarHBondContact O-OG 3.46Å; S116-S287 PolarHBondContact OG-O 2.92Å; I120-S287 WeakPolarHBondContact CD1-OG 3.48Å; I120-S287 WeakPolarHBondContact CG1-OG 3.3Å; I283-S287 PolarHBondContact O-N 3Å; F284-S287 WeakPolarHBondContact O-CB 3.31Å; F284-S287 PolarHBondContact O-N 3.13Å; F284-S287 VanDerWaalsContact O-N 3.15Å; I285-S287 VanDerWaalsContact C-N 3.32Å; I285-S287 PolarHBondContact O-N 2.91Å |
| 288 | L | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 176.1 | -62.9 | 177.4 | 0 | 0 | 0 | 111.3 | M109 V111 F284 I285 I286 I290 S291 S292 T295 C296 A299 | M109-L288 HydrophobicContact CB-CD2 3.75Å; M109-L288 HydrophobicContact CE-CD1 3.56Å; M109-L288 HydrophobicContact CE-CD2 4.26Å; M109-L288 HydrophobicContact CE-CG 4.42Å; M109-L288 HydrophobicContact CG-CD2 4.45Å; M109-L288 HydrophobicContact SD-CD1 4.03Å; M109-L288 HydrophobicContact SD-CD2 3.96Å; M109-L288 HydrophobicContact SD-CG 4.31Å; V111-L288 HydrophobicContact CG2-CD2 3.75Å; F284-L288 WeakPolarHBondContact O-CG 3.17Å; F284-L288 PolarHBondContact O-N 3.21Å; I285-L288 PolarHBondContact O-N 3Å; I286-L288 PolarHBondContact O-N 3.2Å; L288-I290 VanDerWaalsContact C-N 3.29Å; L288-I290 PolarHBondContact O-N 3.39Å; L288-S291 PolarHBondContact O-N 3.07Å; L288-S291 VanDerWaalsContact O-N 3.13Å; L288-S292 CarbonylContact O-C 3.03Å; L288-S292 PolarHBondContact O-N 3.49Å; L288-S292 VanDerWaalsContact O-O 3.07Å; L288-T295 HydrophobicContact CD2-CG2 4.09Å; L288-C296 HydrophobicContact CB-CB 3.98Å; L288-A299 HydrophobicContact CD1-CB 3.47Å; L288-A299 VanDerWaalsContact CD1-CB 3.47Å |
| 289 | F | 98.3 | Very high | 98.5 | Very high | 124 Ų | 124 | 36.2 Ų | 36.2 | 54% | 0.544 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.8 | -37.8 | -179.9 | -175.9 | -98.5 | 0 | 0 | 0 | 112.6 | I285 I286 S291 P293 C296 | I285-F289 WeakPolarHBondContact O-CB 3.36Å; I285-F289 PolarHBondContact O-N 3.34Å; I286-F289 PolarHBondContact O-N 2.84Å; F289-S291 VanDerWaalsContact C-N 3.29Å; F289-S291 PolarHBondContact O-N 3.35Å; F289-P293 HydrophobicContact CD2-CB 4.08Å; F289-P293 HydrophobicContact CD2-CG 4.16Å; F289-P293 HydrophobicContact CE2-CB 3.92Å; F289-P293 HydrophobicContact CE2-CG 3.93Å; F289-P293 HydrophobicContact CZ-CG 4.43Å; F289-C296 HydrophobicContact CB-CB 4.13Å; F289-C296 HydrophobicContact CD2-CB 4.44Å |
| 290 | I | 96.4 | Very high | 98.5 | Very high | 36 Ų | 36 | 29.3 Ų | 29.3 | 19% | 0.185 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.6 | -44 | 175.1 | -72.5 | 164.7 | 0 | 0 | 0 | 110.9 | F77 S78 L115 V119 I286 L288 | F77-I290 HydrophobicContact CD2-CG2 4.3Å; S78-I290 VanDerWaalsContact CA-O 3.28Å; S78-I290 WeakPolarHBondContact CA-O 3.36Å; S78-I290 WeakPolarHBondContact CB-O 3.19Å; L115-I290 HydrophobicContact CD2-CG2 3.98Å; L115-I290 HydrophobicContact CG-CG2 4.4Å; V119-I290 HydrophobicContact CG2-CD1 4.1Å; I286-I290 HydrophobicContact CG2-CD1 4.04Å; I286-I290 HydrophobicContact CG2-CG1 4.47Å; I286-I290 VanDerWaalsContact O-CG1 3.3Å; I286-I290 WeakPolarHBondContact O-CG1 3.48Å; I286-I290 PolarHBondContact O-N 2.78Å; L288-I290 VanDerWaalsContact C-N 3.29Å; L288-I290 PolarHBondContact O-N 3.39Å |
| 291 | S | 97.4 | Very high | 98.5 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -81.1 | -53.8 | -179.3 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | G79 V111 L288 F289 | G79-S291 WeakPolarHBondContact CA-O 3.48Å; G79-S291 PolarHBondContact N-O 3.35Å; G79-S291 PolarHBondContact O-OG 3.18Å; V111-S291 VanDerWaalsContact CG1-CB 3.48Å; V111-S291 WeakPolarHBondContact CG1-OG 3.38Å; L288-S291 PolarHBondContact O-N 3.07Å; L288-S291 VanDerWaalsContact O-N 3.13Å; F289-S291 VanDerWaalsContact C-N 3.29Å; F289-S291 PolarHBondContact O-N 3.35Å |
| 292 | S | 98.2 | Very high | 98.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -149.2 | 111.9 | -176.6 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | L288 I294 T295 C296 P409 E410 | L288-S292 CarbonylContact O-C 3.03Å; L288-S292 PolarHBondContact O-N 3.49Å; L288-S292 VanDerWaalsContact O-O 3.07Å; S292-I294 PolarHBondContact O-N 3.26Å; S292-I294 PolarHBondContact OG-N 3.27Å; S292-T295 WeakPolarHBondContact CB-OG1 3.3Å; S292-T295 PolarHBondContact O-N 3.33Å; S292-T295 PolarHBondContact OG-N 3.23Å; S292-T295 PolarHBondContact OG-OG1 2.89Å; S292-C296 PolarHBondContact O-N 2.94Å; S292-P409 WeakPolarHBondContact OG-CD 3.43Å; S292-E410 WeakPolarHBondContact CB-OE2 3.34Å; S292-E410 PolarHBondContact OG-OE1 2.93Å; S292-E410 PolarHBondContact OG-OE2 3.4Å | ||
| 293 | P | 98.1 | Very high | 98.5 | Very high | 58 Ų | 58 | 31 Ų | 31 | 38% | 0.377 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -54.8 | -35.7 | 169.2 | -29.1 | 36.6 | 0 | 0 | 0 | 113.5 | F289 C296 V297 E410 | F289-P293 HydrophobicContact CD2-CB 4.08Å; F289-P293 HydrophobicContact CD2-CG 4.16Å; F289-P293 HydrophobicContact CE2-CB 3.92Å; F289-P293 HydrophobicContact CE2-CG 3.93Å; F289-P293 HydrophobicContact CZ-CG 4.43Å; P293-C296 WeakPolarHBondContact O-CB 3.44Å; P293-C296 PolarHBondContact O-N 2.83Å; P293-V297 WeakPolarHBondContact O-CG2 3.45Å; P293-V297 PolarHBondContact O-N 2.67Å; P293-E410 VanDerWaalsContact CD-OE1 3.3Å; P293-E410 WeakPolarHBondContact CD-OE1 3.38Å |
| 294 | I | 98.6 | Very high | 98.5 | Very high | 36 Ų | 36 | 30.1 Ų | 30.1 | 19% | 0.185 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.9 | -44.8 | 177.6 | -68.1 | 173.8 | 0 | 0 | 0 | 111.4 | S292 C296 V297 H298 L343 P409 E410 | S292-I294 PolarHBondContact O-N 3.26Å; S292-I294 PolarHBondContact OG-N 3.27Å; I294-C296 VanDerWaalsContact C-N 3.31Å; I294-C296 PolarHBondContact O-N 3.43Å; I294-V297 PolarHBondContact O-N 3.47Å; I294-H298 PolarHBondContact O-N 2.72Å; I294-H298 PolarHBondContact O-ND1 3.45Å; I294-L343 HydrophobicContact CD1-CD2 4.03Å; I294-L343 HydrophobicContact CG1-CD2 4.41Å; I294-L343 HydrophobicContact CG2-CD2 3.64Å; I294-P409 HydrophobicContact CB-CB 3.77Å; I294-P409 HydrophobicContact CB-CG 4.2Å; I294-P409 HydrophobicContact CD1-CB 4.12Å; I294-P409 HydrophobicContact CG2-CB 3.43Å; I294-P409 VanDerWaalsContact CG2-CB 3.43Å; I294-P409 HydrophobicContact CG2-CG 3.89Å; I294-E410 WeakPolarHBondContact CB-OE1 3.17Å; I294-E410 HydrophobicContact CD1-CG 3.72Å; I294-E410 HydrophobicContact CG1-CG 4.28Å; I294-E410 VanDerWaalsContact CG1-OE1 3.32Å; I294-E410 WeakPolarHBondContact CG1-OE1 3.25Å; I294-E410 PolarHBondContact N-OE1 3.41Å |
| 295 | T | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 174.3 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | V111 L288 S292 V297 H298 A299 I334 P409 | V111-T295 HydrophobicContact CG2-CG2 4.39Å; L288-T295 HydrophobicContact CD2-CG2 4.09Å; S292-T295 WeakPolarHBondContact CB-OG1 3.3Å; S292-T295 PolarHBondContact O-N 3.33Å; S292-T295 PolarHBondContact OG-N 3.23Å; S292-T295 PolarHBondContact OG-OG1 2.89Å; T295-V297 PolarHBondContact O-N 2.83Å; T295-H298 PolarHBondContact O-N 2.94Å; T295-A299 WeakPolarHBondContact O-CB 3.39Å; T295-A299 PolarHBondContact O-N 2.6Å; T295-I334 HydrophobicContact CG2-CD1 4.24Å; T295-I334 HydrophobicContact CG2-CG1 4.26Å; T295-I334 HydrophobicContact CG2-CG2 3.78Å; T295-P409 WeakPolarHBondContact OG1-CD 3.28Å; T295-P409 WeakPolarHBondContact OG1-CG 3.32Å |
| 296 | C | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 7% | 0.074 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | L288 F289 S292 P293 I294 A299 V300 | L288-C296 HydrophobicContact CB-CB 3.98Å; F289-C296 HydrophobicContact CB-CB 4.13Å; F289-C296 HydrophobicContact CD2-CB 4.44Å; S292-C296 PolarHBondContact O-N 2.94Å; P293-C296 WeakPolarHBondContact O-CB 3.44Å; P293-C296 PolarHBondContact O-N 2.83Å; I294-C296 VanDerWaalsContact C-N 3.31Å; I294-C296 PolarHBondContact O-N 3.43Å; C296-A299 WeakPolarHBondContact O-CB 3.38Å; C296-A299 PolarHBondContact O-N 3.21Å; C296-V300 WeakPolarHBondContact O-CG2 3.45Å; C296-V300 PolarHBondContact O-N 3.48Å; C296-V300 VanDerWaalsContact O-N 3.11Å |
| 297 | V | 98.8 | Very high | 98.5 | Very high | 80 Ų | 80 | 25.3 Ų | 25.3 | 49% | 0.485 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 179.1 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | P293 I294 T295 A299 V300 L301 | P293-V297 WeakPolarHBondContact O-CG2 3.45Å; P293-V297 PolarHBondContact O-N 2.67Å; I294-V297 PolarHBondContact O-N 3.47Å; T295-V297 PolarHBondContact O-N 2.83Å; V297-A299 VanDerWaalsContact C-N 3.29Å; V297-A299 PolarHBondContact O-N 3.38Å; V297-V300 PolarHBondContact O-N 3.1Å; V297-L301 HydrophobicContact CG1-CD1 3.8Å; V297-L301 HydrophobicContact CG1-CG 4.28Å; V297-L301 WeakPolarHBondContact O-CB 3.46Å; V297-L301 VanDerWaalsContact O-CG 3.32Å; V297-L301 WeakPolarHBondContact O-CG 3.16Å; V297-L301 PolarHBondContact O-N 3.43Å |
| 298 | H | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69 | -27.7 | 178.6 | -72.5 | 86.8 | 0 | 0 | 0 | 112.8 | I294 T295 G302 C333 I334 G337 H348 | I294-H298 PolarHBondContact O-N 2.72Å; I294-H298 PolarHBondContact O-ND1 3.45Å; T295-H298 PolarHBondContact O-N 2.94Å; H298-G302 PolarHBondContact O-N 3.32Å; H298-C333 WeakPolarHBondContact O-CB 3.45Å; H298-C333 PolarHBondContact O-SG 3.46Å; H298-C333 VanDerWaalsContact O-SG 3.41Å; H298-I334 HydrophobicContact CB-CG1 4.4Å; H298-G337 PolarHBondContact CE1-O 3.3Å; H298-G337 PolarHBondContact ND1-O 3.46Å; H298-H348 AromaticContact CD2-ND1 3.99Å; H298-H348 AromaticContact CE1-ND1 3.97Å; H298-H348 AromaticContact NE2-CE1 3.94Å; H298-H348 AromaticContact NE2-ND1 3.13Å; H298-H348 PolarHBondContact NE2-ND1 2.98Å; H298-H348 VanDerWaalsContact NE2-ND1 3.13Å |
| 299 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -50.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M109 I269 L288 T295 C296 V297 G302 S303 V330 I334 | M109-A299 HydrophobicContact CE-CB 4.36Å; I269-A299 HydrophobicContact CD1-CB 4.23Å; L288-A299 HydrophobicContact CD1-CB 3.47Å; L288-A299 VanDerWaalsContact CD1-CB 3.47Å; T295-A299 WeakPolarHBondContact O-CB 3.39Å; T295-A299 PolarHBondContact O-N 2.6Å; C296-A299 WeakPolarHBondContact O-CB 3.38Å; C296-A299 PolarHBondContact O-N 3.21Å; V297-A299 VanDerWaalsContact C-N 3.29Å; V297-A299 PolarHBondContact O-N 3.38Å; A299-G302 PolarHBondContact O-N 2.74Å; A299-S303 PolarHBondContact O-N 3.47Å; A299-V330 HydrophobicContact CB-CG1 3.97Å; A299-V330 WeakPolarHBondContact O-CG2 3.23Å; A299-I334 HydrophobicContact CB-CD1 3.74Å; A299-I334 HydrophobicContact CB-CG1 4.08Å |
| 300 | V | 98.9 | Very high | 98.5 | Very high | 49 Ų | 49 | 22.7 Ų | 22.7 | 30% | 0.297 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 178.5 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | I265 I269 I285 C296 V297 S303 A304 | I265-V300 HydrophobicContact CG2-CG1 3.97Å; I269-V300 HydrophobicContact CD1-CG2 4.02Å; I285-V300 HydrophobicContact CD1-CG2 4.28Å; I285-V300 HydrophobicContact CG1-CG2 4.41Å; C296-V300 WeakPolarHBondContact O-CG2 3.45Å; C296-V300 PolarHBondContact O-N 3.48Å; C296-V300 VanDerWaalsContact O-N 3.11Å; V297-V300 PolarHBondContact O-N 3.1Å; V300-S303 PolarHBondContact O-N 3.33Å; V300-A304 WeakPolarHBondContact O-CB 3.45Å; V300-A304 PolarHBondContact O-N 3.16Å |
| 301 | L | 98.9 | Very high | 98.6 | Very high | 58 Ų | 58 | 22.6 Ų | 22.6 | 30% | 0.304 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.9 | -70.8 | 174.3 | 0 | 0 | 0 | 112.1 | V297 S303 A304 V305 I352 | V297-L301 HydrophobicContact CG1-CD1 3.8Å; V297-L301 HydrophobicContact CG1-CG 4.28Å; V297-L301 WeakPolarHBondContact O-CB 3.46Å; V297-L301 VanDerWaalsContact O-CG 3.32Å; V297-L301 WeakPolarHBondContact O-CG 3.16Å; V297-L301 PolarHBondContact O-N 3.43Å; L301-S303 VanDerWaalsContact C-N 3.35Å; L301-S303 PolarHBondContact O-N 3.28Å; L301-A304 PolarHBondContact O-N 3.23Å; L301-V305 WeakPolarHBondContact O-CB 3.37Å; L301-V305 VanDerWaalsContact O-CG2 3.28Å; L301-V305 WeakPolarHBondContact O-CG2 3.46Å; L301-V305 PolarHBondContact O-N 2.95Å; L301-I352 HydrophobicContact CB-CD1 4.12Å; L301-I352 HydrophobicContact CD1-CD1 4.37Å |
| 302 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H298 A299 A304 V305 G306 C329 | H298-G302 PolarHBondContact O-N 3.32Å; A299-G302 PolarHBondContact O-N 2.74Å; G302-A304 PolarHBondContact O-N 3.4Å; G302-V305 PolarHBondContact O-N 3.48Å; G302-G306 PolarHBondContact O-N 3.25Å; G302-C329 WeakPolarHBondContact O-CB 3.15Å |
| 303 | S | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 176.4 | -165.1 | 0 | 0 | 0 | 0 | 112.2 | I265 A299 V300 L301 G306 M307 | I265-S303 WeakPolarHBondContact CA-OG 3.21Å; I265-S303 WeakPolarHBondContact O-CB 3.49Å; I265-S303 PolarHBondContact O-OG 3.28Å; A299-S303 PolarHBondContact O-N 3.47Å; V300-S303 PolarHBondContact O-N 3.33Å; L301-S303 VanDerWaalsContact C-N 3.35Å; L301-S303 PolarHBondContact O-N 3.28Å; S303-G306 PolarHBondContact O-N 3.09Å; S303-M307 PolarHBondContact O-N 3.16Å |
| 304 | A | 98.9 | Very high | 98.3 | Very high | 24 Ų | 24 | 29.2 Ų | 29.2 | 20% | 0.198 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I265 V300 L301 G302 G306 M307 V308 | I265-A304 HydrophobicContact CD1-CB 4.14Å; I265-A304 HydrophobicContact CG1-CB 4.35Å; V300-A304 WeakPolarHBondContact O-CB 3.45Å; V300-A304 PolarHBondContact O-N 3.16Å; L301-A304 PolarHBondContact O-N 3.23Å; G302-A304 PolarHBondContact O-N 3.4Å; A304-G306 VanDerWaalsContact C-N 3.32Å; A304-G306 PolarHBondContact O-N 3.35Å; A304-M307 PolarHBondContact O-N 2.89Å; A304-V308 WeakPolarHBondContact O-CG2 3.42Å; A304-V308 PolarHBondContact O-N 3.02Å |
| 305 | V | 98.8 | Very high | 98.2 | Very high | 15 Ų | 15 | 27.7 Ų | 27.7 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 174.4 | 167.6 | 0 | 0 | 0 | 0 | 110.8 | L301 G302 V308 S309 I352 A355 F356 | L301-V305 WeakPolarHBondContact O-CB 3.37Å; L301-V305 VanDerWaalsContact O-CG2 3.28Å; L301-V305 WeakPolarHBondContact O-CG2 3.46Å; L301-V305 PolarHBondContact O-N 2.95Å; G302-V305 PolarHBondContact O-N 3.48Å; V305-V308 PolarHBondContact O-N 3.32Å; V305-S309 WeakPolarHBondContact O-CB 3.39Å; V305-S309 PolarHBondContact O-N 3.17Å; V305-S309 PolarHBondContact O-OG 2.82Å; V305-I352 HydrophobicContact CG2-CD1 4.12Å; V305-I352 HydrophobicContact CG2-CG2 4.09Å; V305-A355 HydrophobicContact CB-CB 4.13Å; V305-A355 HydrophobicContact CG1-CB 3.72Å; V305-F356 HydrophobicContact CG1-CB 4.36Å; V305-F356 HydrophobicContact CG1-CD1 3.79Å; V305-F356 HydrophobicContact CG1-CD2 3.7Å; V305-F356 HydrophobicContact CG1-CE1 3.89Å; V305-F356 HydrophobicContact CG1-CE2 3.82Å; V305-F356 HydrophobicContact CG1-CG 3.67Å; V305-F356 HydrophobicContact CG1-CZ 3.91Å; V305-F356 HydrophobicContact CG2-CE2 4.28Å |
| 306 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.9 | -50.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G302 S303 A304 V308 S309 G310 W325 | G302-G306 PolarHBondContact O-N 3.25Å; S303-G306 PolarHBondContact O-N 3.09Å; A304-G306 VanDerWaalsContact C-N 3.32Å; A304-G306 PolarHBondContact O-N 3.35Å; G306-V308 PolarHBondContact O-N 3.13Å; G306-S309 WeakPolarHBondContact O-CB 3.44Å; G306-S309 PolarHBondContact O-N 2.93Å; G306-S309 VanDerWaalsContact O-N 3.17Å; G306-G310 PolarHBondContact O-N 2.92Å; G306-W325 CarbonylContact C-O 3.55Å; G306-W325 WeakPolarHBondContact CA-O 3.46Å; G306-W325 WeakPolarHBondContact O-CB 3.48Å |
| 307 | M | 98.6 | Very high | 98 | Very high | 25 Ų | 25 | 29.4 Ų | 29.4 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.9 | -50.3 | 175.2 | 174.7 | -159 | 68.8 | 0 | 0 | 112.1 | L261 S264 I265 S303 A304 S309 G310 L311 I320 | L261-M307 HydrophobicContact CB-SD 3.87Å; L261-M307 HydrophobicContact CD2-CG 4.19Å; L261-M307 HydrophobicContact CD2-SD 4.27Å; S264-M307 WeakPolarHBondContact OG-CG 3.4Å; I265-M307 HydrophobicContact CG1-SD 4.35Å; S303-M307 PolarHBondContact O-N 3.16Å; A304-M307 PolarHBondContact O-N 2.89Å; M307-S309 VanDerWaalsContact C-N 3.29Å; M307-S309 PolarHBondContact O-N 3.35Å; M307-G310 PolarHBondContact O-N 3.38Å; M307-L311 PolarHBondContact O-N 3.11Å; M307-L311 VanDerWaalsContact O-N 3.11Å; M307-I320 HydrophobicContact CB-CG2 4.3Å; M307-I320 HydrophobicContact CG-CG2 3.7Å |
| 308 | V | 98.5 | Very high | 97.8 | Very high | 70 Ų | 70 | 31.2 Ų | 31.2 | 42% | 0.424 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.6 | -37.5 | 178.8 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | A304 V305 G306 L311 A312 | A304-V308 WeakPolarHBondContact O-CG2 3.42Å; A304-V308 PolarHBondContact O-N 3.02Å; V305-V308 PolarHBondContact O-N 3.32Å; G306-V308 PolarHBondContact O-N 3.13Å; V308-L311 PolarHBondContact O-N 2.9Å; V308-A312 WeakPolarHBondContact O-CB 3.48Å; V308-A312 PolarHBondContact O-N 2.77Å |
| 309 | S | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 112 | V305 G306 M307 L311 A312 L313 F356 | V305-S309 WeakPolarHBondContact O-CB 3.39Å; V305-S309 PolarHBondContact O-N 3.17Å; V305-S309 PolarHBondContact O-OG 2.82Å; G306-S309 WeakPolarHBondContact O-CB 3.44Å; G306-S309 PolarHBondContact O-N 2.93Å; G306-S309 VanDerWaalsContact O-N 3.17Å; M307-S309 VanDerWaalsContact C-N 3.29Å; M307-S309 PolarHBondContact O-N 3.35Å; S309-L311 VanDerWaalsContact C-N 3.34Å; S309-A312 PolarHBondContact O-N 3.49Å; S309-L313 PolarHBondContact O-N 3.19Å; S309-F356 WeakPolarHBondContact OG-CD1 3.39Å; S309-F356 WeakPolarHBondContact OG-CE1 3.38Å |
| 310 | G | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G306 M307 L313 S314 A315 | G306-G310 PolarHBondContact O-N 2.92Å; M307-G310 PolarHBondContact O-N 3.38Å; G310-L313 PolarHBondContact O-N 3.11Å; G310-S314 PolarHBondContact O-N 3Å; G310-A315 VanDerWaalsContact O-CB 3.3Å; G310-A315 WeakPolarHBondContact O-CB 3.21Å; G310-A315 PolarHBondContact O-N 2.71Å |
| 311 | L | 97.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 18% | 0.183 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 173 | -66.8 | 173.1 | 0 | 0 | 0 | 111.4 | W253 I256 L261 M307 V308 S309 L313 S314 F317 I320 | W253-L311 WeakPolarHBondContact CH2-O 3.46Å; I256-L311 HydrophobicContact CD1-CD2 3.84Å; L261-L311 HydrophobicContact CD1-CD1 4.35Å; L261-L311 HydrophobicContact CD2-CD1 4.17Å; L261-L311 HydrophobicContact CD2-CD2 4.16Å; L261-L311 HydrophobicContact CD2-CG 4.47Å; M307-L311 PolarHBondContact O-N 3.11Å; M307-L311 VanDerWaalsContact O-N 3.11Å; V308-L311 PolarHBondContact O-N 2.9Å; S309-L311 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 3.19Å; L311-S314 PolarHBondContact O-N 3.4Å; L311-F317 HydrophobicContact CD2-CD1 4.23Å; L311-F317 HydrophobicContact CD2-CE1 3.98Å; L311-I320 HydrophobicContact CD2-CD1 3.69Å; L311-I320 HydrophobicContact CG-CD1 4Å |
| 312 | A | 97.4 | Very high | 97.7 | Very high | 71 Ų | 71 | 32.8 Ų | 32.8 | 59% | 0.587 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -60.1 | -32.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | V308 S309 S314 | V308-A312 WeakPolarHBondContact O-CB 3.48Å; V308-A312 PolarHBondContact O-N 2.77Å; S309-A312 PolarHBondContact O-N 3.49Å; A312-S314 VanDerWaalsContact C-N 3.33Å |
| 313 | L | 95.6 | Very high | 97.7 | Very high | 69 Ų | 69 | 32.8 Ų | 32.8 | 36% | 0.361 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 8.1 | 177.3 | -75.8 | 177.5 | 0 | 0 | 0 | 114.3 | S309 G310 L311 A315 W325 Y360 | S309-L313 PolarHBondContact O-N 3.19Å; G310-L313 PolarHBondContact O-N 3.11Å; L311-L313 PolarHBondContact O-N 3.19Å; L313-A315 PolarHBondContact O-N 2.9Å; L313-W325 HydrophobicContact CB-CH2 3.95Å; L313-W325 HydrophobicContact CB-CZ3 4.49Å; L313-W325 HydrophobicContact CD1-CH2 3.51Å; L313-W325 HydrophobicContact CD1-CZ3 3.66Å; L313-W325 HydrophobicContact CG-CH2 4.39Å; L313-Y360 HydrophobicContact CD1-CD1 3.62Å; L313-Y360 HydrophobicContact CD1-CE1 3.59Å; L313-Y360 HydrophobicContact CD1-CG 4.2Å; L313-Y360 HydrophobicContact CD2-CD1 4.17Å; L313-Y360 HydrophobicContact CD2-CE1 3.46Å; L313-Y360 VanDerWaalsContact CD2-CE1 3.46Å; L313-Y360 HydrophobicContact CG-CD1 4.29Å; L313-Y360 HydrophobicContact CG-CE1 3.74Å |
| 314 | S | 95.3 | Very high | 97.6 | Very high | 60 Ų | 60 | 36.2 Ų | 36.2 | 42% | 0.42 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 44.5 | -177.3 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | I251 G310 L311 A312 | I251-S314 WeakPolarHBondContact CD1-O 3.23Å; G310-S314 PolarHBondContact O-N 3Å; L311-S314 PolarHBondContact O-N 3.4Å; A312-S314 VanDerWaalsContact C-N 3.33Å |
| 315 | A | 96 | Very high | 97.6 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | trans | -69.8 | 149.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G310 L313 F317 I320 W325 | G310-A315 VanDerWaalsContact O-CB 3.3Å; G310-A315 WeakPolarHBondContact O-CB 3.21Å; G310-A315 PolarHBondContact O-N 2.71Å; L313-A315 PolarHBondContact O-N 2.9Å; A315-F317 PolarHBondContact O-N 3.32Å; A315-I320 HydrophobicContact CB-CD1 4.21Å; A315-I320 HydrophobicContact CB-CG1 4.19Å; A315-W325 HydrophobicContact CB-CD2 4.45Å; A315-W325 HydrophobicContact CB-CH2 4.35Å; A315-W325 HydrophobicContact CB-CZ2 3.35Å; A315-W325 VanDerWaalsContact CB-NE1 3.3Å | ||
| 316 | P | 95.6 | Very high | 97.6 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 16% | 0.156 | 20% | 0.197 | C | C | . | . | trans | -51.3 | 131.8 | 170.7 | -23.9 | 32.1 | 0 | 0 | 0 | 111.1 | R245 P249 E318 D319 I320 | R245-P316 VanDerWaalsContact NH1-CD 3.31Å; P249-P316 HydrophobicContact CB-CG 3.79Å; P249-P316 HydrophobicContact CG-CG 4.02Å; P316-E318 PolarHBondContact O-N 3.47Å; P316-D319 WeakPolarHBondContact CB-OD2 3.02Å; P316-D319 VanDerWaalsContact CD-OD2 3.31Å; P316-D319 WeakPolarHBondContact CD-OD2 3.42Å; P316-D319 VanDerWaalsContact CG-OD2 3.31Å; P316-D319 WeakPolarHBondContact CG-OD2 3.42Å; P316-D319 PolarHBondContact O-N 2.95Å; P316-D319 VanDerWaalsContact O-N 3.08Å; P316-I320 PolarHBondContact O-N 3.33Å | ||
| 317 | F | 97.3 | Very high | 97.6 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -34.9 | -175.1 | -65.1 | -36.1 | 0 | 0 | 0 | 112.9 | I251 W253 I256 L311 A315 D319 I320 Y321 | I251-F317 HydrophobicContact CG2-CD2 4.5Å; I251-F317 HydrophobicContact CG2-CE1 4.16Å; I251-F317 HydrophobicContact CG2-CE2 3.85Å; I251-F317 HydrophobicContact CG2-CZ 3.65Å; W253-F317 HydrophobicContact CD2-CZ 4.29Å; W253-F317 HydrophobicContact CE3-CE1 4.29Å; W253-F317 AromaticContact CE3-CZ 3.99Å; W253-F317 HydrophobicContact CE3-CZ 3.99Å; W253-F317 HydrophobicContact CZ3-CE1 4.3Å; W253-F317 HydrophobicContact CZ3-CZ 4.45Å; I256-F317 HydrophobicContact CB-CE1 4.46Å; I256-F317 HydrophobicContact CB-CE2 3.95Å; I256-F317 HydrophobicContact CB-CZ 3.92Å; I256-F317 HydrophobicContact CD1-CE1 3.94Å; I256-F317 HydrophobicContact CD1-CZ 4.14Å; I256-F317 HydrophobicContact CG1-CD1 4.37Å; I256-F317 HydrophobicContact CG1-CE1 4.08Å; I256-F317 HydrophobicContact CG1-CE2 4.31Å; I256-F317 HydrophobicContact CG1-CZ 4.04Å; L311-F317 HydrophobicContact CD2-CD1 4.23Å; L311-F317 HydrophobicContact CD2-CE1 3.98Å; A315-F317 PolarHBondContact O-N 3.32Å; F317-D319 VanDerWaalsContact C-N 3.33Å; F317-D319 PolarHBondContact O-N 2.94Å; F317-I320 HydrophobicContact CD1-CD1 4.42Å; F317-I320 CarbonylContact O-C 3.56Å; F317-I320 WeakPolarHBondContact O-CA 3.4Å; F317-I320 WeakPolarHBondContact O-CB 3.1Å; F317-I320 PolarHBondContact O-N 3.45Å; F317-I320 VanDerWaalsContact O-N 3.09Å; F317-Y321 HydrophobicContact CB-CD2 4.24Å; F317-Y321 HydrophobicContact CB-CE1 4.35Å; F317-Y321 HydrophobicContact CB-CE2 3.61Å; F317-Y321 WeakPolarHBondContact O-CD1 3.25Å; F317-Y321 VanDerWaalsContact O-CD2 3.31Å; F317-Y321 WeakPolarHBondContact O-CD2 3.3Å; F317-Y321 PolarHBondContact O-N 3.23Å |
| 318 | E | 96.4 | Very high | 97.6 | Very high | 119 Ų | 119 | 36.2 Ų | 36.2 | 56% | 0.556 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -62.4 | -36.3 | 177.5 | -65.1 | -58 | 140.9 | 0 | 0 | 112.6 | K260 P316 I320 Y321 F322 | K260-E318 IonicContact NZ-OE1 3.9Å; P316-E318 PolarHBondContact O-N 3.47Å; E318-I320 VanDerWaalsContact C-N 3.28Å; E318-I320 PolarHBondContact O-N 3.29Å; E318-Y321 PolarHBondContact O-N 3.07Å; E318-F322 WeakPolarHBondContact O-CB 3.21Å; E318-F322 PolarHBondContact O-N 3.23Å |
| 319 | D | 97 | Very high | 97.6 | Very high | 35 Ų | 35 | 32.9 Ų | 32.9 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -35.4 | 174.8 | -59.5 | -38.7 | 0 | 0 | 0 | 111.7 | R245 P316 F317 G323 L324 | R245-D319 IonicContact CZ-OD2 3.93Å; R245-D319 IonicContact NH1-OD2 2.88Å; R245-D319 IonicContact NH2-OD1 3.19Å; R245-D319 IonicContact NH2-OD2 3.83Å; R245-D319 PolarHBondContact NH2-OD2 2.94Å; P316-D319 WeakPolarHBondContact CB-OD2 3.02Å; P316-D319 VanDerWaalsContact CD-OD2 3.31Å; P316-D319 WeakPolarHBondContact CD-OD2 3.42Å; P316-D319 VanDerWaalsContact CG-OD2 3.31Å; P316-D319 WeakPolarHBondContact CG-OD2 3.42Å; P316-D319 PolarHBondContact O-N 2.95Å; P316-D319 VanDerWaalsContact O-N 3.08Å; F317-D319 VanDerWaalsContact C-N 3.33Å; F317-D319 PolarHBondContact O-N 2.94Å; D319-G323 PolarHBondContact O-N 2.97Å; D319-L324 HydrophobicContact CB-CD1 4.3Å; D319-L324 WeakPolarHBondContact O-CB 3.36Å; D319-L324 PolarHBondContact O-N 2.92Å |
| 320 | I | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.3 | -50.1 | 176.6 | -57.7 | 175.7 | 0 | 0 | 0 | 108.9 | L261 S264 M307 L311 A315 P316 F317 E318 F322 G323 W325 | L261-I320 HydrophobicContact CD2-CG2 4.04Å; S264-I320 WeakPolarHBondContact CB-O 3.31Å; M307-I320 HydrophobicContact CB-CG2 4.3Å; M307-I320 HydrophobicContact CG-CG2 3.7Å; L311-I320 HydrophobicContact CD2-CD1 3.69Å; L311-I320 HydrophobicContact CG-CD1 4Å; A315-I320 HydrophobicContact CB-CD1 4.21Å; A315-I320 HydrophobicContact CB-CG1 4.19Å; P316-I320 PolarHBondContact O-N 3.33Å; F317-I320 HydrophobicContact CD1-CD1 4.42Å; F317-I320 CarbonylContact O-C 3.56Å; F317-I320 WeakPolarHBondContact O-CA 3.4Å; F317-I320 WeakPolarHBondContact O-CB 3.1Å; F317-I320 PolarHBondContact O-N 3.45Å; F317-I320 VanDerWaalsContact O-N 3.09Å; E318-I320 VanDerWaalsContact C-N 3.28Å; E318-I320 PolarHBondContact O-N 3.29Å; I320-F322 VanDerWaalsContact C-N 3.27Å; I320-F322 PolarHBondContact O-N 3.15Å; I320-G323 WeakPolarHBondContact O-CA 3.44Å; I320-G323 PolarHBondContact O-N 3.06Å; I320-W325 HydrophobicContact CG1-CG 4.41Å |
| 321 | Y | 98.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -36.7 | 179.6 | -59.8 | -23 | 0 | 0 | 0 | 112.5 | D257 K260 L261 F317 E318 G323 | D257-Y321 HydrophobicContact CB-CE2 4.43Å; D257-Y321 PolarHBondContact N-OH 3.28Å; K260-Y321 HydrophobicContact CB-CD1 3.47Å; K260-Y321 VanDerWaalsContact CB-CD1 3.47Å; K260-Y321 HydrophobicContact CB-CD2 3.92Å; K260-Y321 HydrophobicContact CB-CE1 3.62Å; K260-Y321 HydrophobicContact CB-CE2 4.04Å; K260-Y321 HydrophobicContact CB-CG 3.64Å; K260-Y321 HydrophobicContact CD-CD2 3.44Å; K260-Y321 VanDerWaalsContact CD-CD2 3.44Å; K260-Y321 HydrophobicContact CD-CE2 3.63Å; K260-Y321 HydrophobicContact CD-CG 3.94Å; K260-Y321 HydrophobicContact CG-CD2 4.34Å; K260-Y321 HydrophobicContact CG-CG 4.41Å; L261-Y321 HydrophobicContact CD2-CD1 4.26Å; L261-Y321 HydrophobicContact CD2-CE1 3.65Å; L261-Y321 HydrophobicContact CG-CE1 3.94Å; F317-Y321 HydrophobicContact CB-CD2 4.24Å; F317-Y321 HydrophobicContact CB-CE1 4.35Å; F317-Y321 HydrophobicContact CB-CE2 3.61Å; F317-Y321 WeakPolarHBondContact O-CD1 3.25Å; F317-Y321 VanDerWaalsContact O-CD2 3.31Å; F317-Y321 WeakPolarHBondContact O-CD2 3.3Å; F317-Y321 PolarHBondContact O-N 3.23Å; E318-Y321 PolarHBondContact O-N 3.07Å; Y321-G323 PolarHBondContact O-N 3.34Å |
| 322 | F | 98.3 | Very high | 97.7 | Very high | 89 Ų | 89 | 31.2 Ų | 31.2 | 39% | 0.39 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 0.7 | 175.3 | -154 | -108.7 | 0 | 0 | 0 | 113.3 | V267 Q271 D276 E318 I320 L324 | V267-F322 WeakPolarHBondContact CG1-O 3.37Å; Q271-F322 VanDerWaalsContact CG-O 3.23Å; Q271-F322 WeakPolarHBondContact CG-O 3.46Å; Q271-F322 PolarHBondContact NE2-O 3.49Å; D276-F322 HydrophobicContact CB-CD2 3.96Å; D276-F322 HydrophobicContact CB-CE1 4.16Å; D276-F322 HydrophobicContact CB-CE2 3.34Å; D276-F322 HydrophobicContact CB-CZ 3.45Å; D276-F322 VanDerWaalsContact CB-CZ 3.45Å; D276-F322 WeakPolarHBondContact OD2-CE2 3.48Å; D276-F322 VanDerWaalsContact OD2-CZ 3.3Å; D276-F322 WeakPolarHBondContact OD2-CZ 3.17Å; E318-F322 WeakPolarHBondContact O-CB 3.21Å; E318-F322 PolarHBondContact O-N 3.23Å; I320-F322 VanDerWaalsContact C-N 3.27Å; I320-F322 PolarHBondContact O-N 3.15Å; F322-L324 VanDerWaalsContact C-N 3.29Å; F322-L324 HydrophobicContact CB-CG 4.35Å; F322-L324 HydrophobicContact CD1-CD1 4.28Å; F322-L324 HydrophobicContact CD1-CD2 3.84Å; F322-L324 HydrophobicContact CD1-CG 3.92Å; F322-L324 HydrophobicContact CE1-CD2 4.46Å; F322-L324 PolarHBondContact O-N 2.94Å |
| 323 | G | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 9.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115 | D319 I320 Y321 W325 G326 Y327 | D319-G323 PolarHBondContact O-N 2.97Å; I320-G323 WeakPolarHBondContact O-CA 3.44Å; I320-G323 PolarHBondContact O-N 3.06Å; Y321-G323 PolarHBondContact O-N 3.34Å; G323-W325 PolarHBondContact O-N 3.08Å; G323-G326 PolarHBondContact O-N 3.08Å; G323-Y327 PolarHBondContact O-N 2.97Å |
| 324 | L | 98.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 24.6 Ų | 24.6 | 38% | 0.377 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24 | -176.3 | -61.9 | -178.2 | 0 | 0 | 0 | 113 | D319 F322 Y327 | D319-L324 HydrophobicContact CB-CD1 4.3Å; D319-L324 WeakPolarHBondContact O-CB 3.36Å; D319-L324 PolarHBondContact O-N 2.92Å; F322-L324 VanDerWaalsContact C-N 3.29Å; F322-L324 HydrophobicContact CB-CG 4.35Å; F322-L324 HydrophobicContact CD1-CD1 4.28Å; F322-L324 HydrophobicContact CD1-CD2 3.84Å; F322-L324 HydrophobicContact CD1-CG 3.92Å; F322-L324 HydrophobicContact CE1-CD2 4.46Å; F322-L324 PolarHBondContact O-N 2.94Å; L324-Y327 WeakPolarHBondContact O-CD1 3.03Å; L324-Y327 WeakPolarHBondContact O-CE1 3.38Å |
| 325 | W | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 21.8 Ų | 21.8 | 10% | 0.102 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -16 | 174.8 | -76 | 82.8 | 0 | 0 | 0 | 113.8 | G306 L313 A315 I320 G323 C329 A359 | G306-W325 CarbonylContact C-O 3.55Å; G306-W325 WeakPolarHBondContact CA-O 3.46Å; G306-W325 WeakPolarHBondContact O-CB 3.48Å; L313-W325 HydrophobicContact CB-CH2 3.95Å; L313-W325 HydrophobicContact CB-CZ3 4.49Å; L313-W325 HydrophobicContact CD1-CH2 3.51Å; L313-W325 HydrophobicContact CD1-CZ3 3.66Å; L313-W325 HydrophobicContact CG-CH2 4.39Å; A315-W325 HydrophobicContact CB-CD2 4.45Å; A315-W325 HydrophobicContact CB-CH2 4.35Å; A315-W325 HydrophobicContact CB-CZ2 3.35Å; A315-W325 VanDerWaalsContact CB-NE1 3.3Å; I320-W325 HydrophobicContact CG1-CG 4.41Å; G323-W325 PolarHBondContact O-N 3.08Å; W325-C329 PolarHBondContact O-SG 3.21Å; W325-A359 HydrophobicContact CE3-CB 4.35Å |
| 326 | G | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -45 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G323 N328 C329 V330 | G323-G326 PolarHBondContact O-N 3.08Å; G326-N328 PolarHBondContact O-N 2.63Å; G326-C329 CarbonylContact O-C 3.16Å; G326-C329 WeakPolarHBondContact O-CA 3.44Å; G326-C329 VanDerWaalsContact O-CB 3.28Å; G326-C329 WeakPolarHBondContact O-CB 3.45Å; G326-C329 PolarHBondContact O-N 3.14Å; G326-V330 WeakPolarHBondContact O-CG2 3.27Å; G326-V330 PolarHBondContact O-N 3.1Å |
| 327 | Y | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 20.4 Ų | 20.4 | 11% | 0.114 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | -162 | 72.2 | -87 | 0 | 0 | 0 | 115.5 | G268 Q271 G323 L324 C329 V330 L331 C377 T378 | G268-Y327 WeakPolarHBondContact O-CA 3.42Å; G268-Y327 WeakPolarHBondContact O-CB 3.45Å; G268-Y327 PolarHBondContact O-N 2.94Å; Q271-Y327 HydrophobicContact CB-CD1 3.96Å; Q271-Y327 HydrophobicContact CB-CG 4Å; G323-Y327 PolarHBondContact O-N 2.97Å; L324-Y327 WeakPolarHBondContact O-CD1 3.03Å; L324-Y327 WeakPolarHBondContact O-CE1 3.38Å; Y327-C329 VanDerWaalsContact C-N 3.33Å; Y327-V330 WeakPolarHBondContact O-CB 3.28Å; Y327-V330 PolarHBondContact O-N 3.44Å; Y327-L331 PolarHBondContact O-N 2.8Å; Y327-C377 WeakPolarHBondContact CE2-O 3.38Å; Y327-C377 PolarHBondContact OH-O 3.19Å; Y327-T378 HydrophobicContact CD2-CG2 3.99Å; Y327-T378 HydrophobicContact CE2-CG2 3.81Å |
| 328 | N | 98.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.027 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 173.7 | -87.8 | -65.7 | 0 | 0 | 0 | 111.2 | G326 V330 L331 A332 C377 T378 P380 F381 | G326-N328 PolarHBondContact O-N 2.63Å; N328-V330 VanDerWaalsContact C-N 3.35Å; N328-L331 PolarHBondContact O-N 3.17Å; N328-A332 WeakPolarHBondContact O-CB 3.35Å; N328-A332 PolarHBondContact O-N 3.14Å; N328-C377 PolarHBondContact ND2-O 3.49Å; N328-C377 VanDerWaalsContact ND2-O 3.1Å; N328-T378 VanDerWaalsContact OD1-CA 3.27Å; N328-T378 WeakPolarHBondContact OD1-CA 3.41Å; N328-P380 HydrophobicContact CB-CB 4.22Å; N328-P380 WeakPolarHBondContact OD1-CD 3.4Å; N328-F381 HydrophobicContact CB-CB 4.3Å; N328-F381 VanDerWaalsContact OD1-CB 3.23Å; N328-F381 WeakPolarHBondContact OD1-CB 3.26Å; N328-F381 PolarHBondContact OD1-N 3.33Å |
| 329 | C | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.007 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.6 | -34.9 | 179.2 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | G302 W325 G326 Y327 C333 A355 A359 | G302-C329 WeakPolarHBondContact O-CB 3.15Å; W325-C329 PolarHBondContact O-SG 3.21Å; G326-C329 CarbonylContact O-C 3.16Å; G326-C329 WeakPolarHBondContact O-CA 3.44Å; G326-C329 VanDerWaalsContact O-CB 3.28Å; G326-C329 WeakPolarHBondContact O-CB 3.45Å; G326-C329 PolarHBondContact O-N 3.14Å; Y327-C329 VanDerWaalsContact C-N 3.33Å; C329-C333 WeakPolarHBondContact O-CB 3.23Å; C329-C333 PolarHBondContact O-N 2.81Å; C329-A355 HydrophobicContact CB-CB 4.22Å; C329-A355 PolarHBondContact SG-O 3.44Å; C329-A355 VanDerWaalsContact SG-O 3.38Å; C329-A359 VanDerWaalsContact SG-CA 3.6Å; C329-A359 VanDerWaalsContact SG-CB 3.52Å |
| 330 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -54.3 | -56.8 | 170.8 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | M109 I269 V272 A299 G326 Y327 N328 A332 C333 I334 | M109-V330 HydrophobicContact CE-CG1 3.36Å; I269-V330 HydrophobicContact CG1-CG1 4.39Å; I269-V330 HydrophobicContact CG1-CG2 3.81Å; V272-V330 HydrophobicContact CG2-CB 4.11Å; V272-V330 HydrophobicContact CG2-CG1 3.91Å; A299-V330 HydrophobicContact CB-CG1 3.97Å; A299-V330 WeakPolarHBondContact O-CG2 3.23Å; G326-V330 WeakPolarHBondContact O-CG2 3.27Å; G326-V330 PolarHBondContact O-N 3.1Å; Y327-V330 WeakPolarHBondContact O-CB 3.28Å; Y327-V330 PolarHBondContact O-N 3.44Å; N328-V330 VanDerWaalsContact C-N 3.35Å; V330-A332 PolarHBondContact O-N 2.88Å; V330-C333 PolarHBondContact O-N 3.43Å; V330-I334 HydrophobicContact CG1-CD1 3.8Å; V330-I334 VanDerWaalsContact O-CG1 3.24Å; V330-I334 WeakPolarHBondContact O-CG1 3.28Å; V330-I334 PolarHBondContact O-N 3.4Å |
| 331 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | -177.4 | -66.8 | 176.3 | 0 | 0 | 0 | 112.1 | V108 M109 F110 V272 Y327 N328 I334 A335 T378 F381 | V108-L331 WeakPolarHBondContact O-CD2 3.33Å; M109-L331 HydrophobicContact CG-CD2 4.31Å; F110-L331 HydrophobicContact CE2-CD2 4.17Å; V272-L331 HydrophobicContact CG1-CD1 4.19Å; V272-L331 HydrophobicContact CG1-CD2 3.85Å; V272-L331 HydrophobicContact CG1-CG 4.15Å; V272-L331 HydrophobicContact CG2-CG 4.32Å; Y327-L331 PolarHBondContact O-N 2.8Å; N328-L331 PolarHBondContact O-N 3.17Å; L331-I334 PolarHBondContact O-N 2.97Å; L331-A335 VanDerWaalsContact O-CB 3.29Å; L331-A335 WeakPolarHBondContact O-CB 3.5Å; L331-A335 PolarHBondContact O-N 3.3Å; L331-T378 HydrophobicContact CD1-CG2 3.86Å; L331-F381 HydrophobicContact CB-CB 4.11Å; L331-F381 HydrophobicContact CB-CD1 3.96Å; L331-F381 HydrophobicContact CB-CD2 3.33Å; L331-F381 HydrophobicContact CB-CE1 4.27Å; L331-F381 HydrophobicContact CB-CE2 3.73Å; L331-F381 HydrophobicContact CB-CG 3.47Å; L331-F381 VanDerWaalsContact CB-CG 3.47Å; L331-F381 HydrophobicContact CB-CZ 4.2Å; L331-F381 HydrophobicContact CD1-CB 4.34Å; L331-F381 HydrophobicContact CD1-CD1 3.6Å; L331-F381 HydrophobicContact CD1-CE1 4.05Å; L331-F381 HydrophobicContact CD1-CG 3.86Å; L331-F381 HydrophobicContact CG-CD1 4.43Å; L331-F381 HydrophobicContact CG-CG 4.34Å |
| 332 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N328 V330 A335 V336 C358 F381 | N328-A332 WeakPolarHBondContact O-CB 3.35Å; N328-A332 PolarHBondContact O-N 3.14Å; V330-A332 PolarHBondContact O-N 2.88Å; A332-A335 PolarHBondContact O-N 2.91Å; A332-V336 PolarHBondContact O-N 2.93Å; A332-C358 HydrophobicContact CB-CB 3.81Å; A332-F381 HydrophobicContact CB-CD2 4.32Å |
| 333 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -67.6 | -39.6 | 179.7 | -162.9 | 0 | 0 | 0 | 0 | 111.7 | H298 C329 V330 G337 A355 | H298-C333 WeakPolarHBondContact O-CB 3.45Å; H298-C333 PolarHBondContact O-SG 3.46Å; H298-C333 VanDerWaalsContact O-SG 3.41Å; C329-C333 WeakPolarHBondContact O-CB 3.23Å; C329-C333 PolarHBondContact O-N 2.81Å; V330-C333 PolarHBondContact O-N 3.43Å; C333-G337 WeakPolarHBondContact O-CA 3.41Å; C333-G337 PolarHBondContact O-N 3.39Å; C333-A355 HydrophobicContact CB-CB 4.06Å |
| 334 | I | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.3 | -48.7 | 174.1 | -66.6 | 165 | 0 | 0 | 0 | 110.5 | M109 F110 T295 H298 A299 V330 L331 V336 G337 M339 | M109-I334 HydrophobicContact CE-CD1 3.64Å; F110-I334 HydrophobicContact CD2-CB 4.24Å; F110-I334 HydrophobicContact CD2-CG2 3.51Å; F110-I334 HydrophobicContact CE2-CB 4.26Å; F110-I334 HydrophobicContact CE2-CG2 4.01Å; T295-I334 HydrophobicContact CG2-CD1 4.24Å; T295-I334 HydrophobicContact CG2-CG1 4.26Å; T295-I334 HydrophobicContact CG2-CG2 3.78Å; H298-I334 HydrophobicContact CB-CG1 4.4Å; A299-I334 HydrophobicContact CB-CD1 3.74Å; A299-I334 HydrophobicContact CB-CG1 4.08Å; V330-I334 HydrophobicContact CG1-CD1 3.8Å; V330-I334 VanDerWaalsContact O-CG1 3.24Å; V330-I334 WeakPolarHBondContact O-CG1 3.28Å; V330-I334 PolarHBondContact O-N 3.4Å; L331-I334 PolarHBondContact O-N 2.97Å; I334-V336 VanDerWaalsContact C-N 3.35Å; I334-V336 PolarHBondContact O-N 3.42Å; I334-G337 PolarHBondContact O-N 3.45Å; I334-M339 HydrophobicContact CG2-CG 3.54Å; I334-M339 HydrophobicContact CG2-SD 4.45Å; I334-M339 WeakPolarHBondContact O-CB 3.46Å; I334-M339 WeakPolarHBondContact O-CG 3.45Å |
| 335 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -57.1 | -46.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F110 F215 L331 A332 F340 F381 A385 | F110-A335 HydrophobicContact CE2-CB 4.13Å; F110-A335 HydrophobicContact CZ-CB 4.01Å; F215-A335 HydrophobicContact CE1-CB 4.48Å; F215-A335 HydrophobicContact CZ-CB 4.43Å; L331-A335 VanDerWaalsContact O-CB 3.29Å; L331-A335 WeakPolarHBondContact O-CB 3.5Å; L331-A335 PolarHBondContact O-N 3.3Å; A332-A335 PolarHBondContact O-N 2.91Å; A335-F340 HydrophobicContact CB-CD2 3.94Å; A335-F340 HydrophobicContact CB-CE2 4.22Å; A335-F340 WeakPolarHBondContact O-CD2 3.45Å; A335-F340 PolarHBondContact O-N 3.32Å; A335-F381 HydrophobicContact CB-CE2 4.22Å; A335-A385 HydrophobicContact CB-CB 4.21Å |
| 336 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | I | π-helix | trans | -81.6 | -34.4 | 178.8 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | A332 I334 G338 Y341 V347 L350 A351 C354 F388 | A332-V336 PolarHBondContact O-N 2.93Å; I334-V336 VanDerWaalsContact C-N 3.35Å; I334-V336 PolarHBondContact O-N 3.42Å; V336-G338 PolarHBondContact O-N 2.92Å; V336-Y341 HydrophobicContact CG1-CD2 4.09Å; V336-V347 WeakPolarHBondContact O-CG1 3.21Å; V336-L350 HydrophobicContact CG1-CB 4.23Å; V336-L350 HydrophobicContact CG1-CD2 4.07Å; V336-L350 HydrophobicContact CG1-CG 3.97Å; V336-A351 HydrophobicContact CB-CB 3.92Å; V336-A351 HydrophobicContact CG1-CB 3.89Å; V336-C354 HydrophobicContact CG2-CB 3.97Å; V336-F388 HydrophobicContact CG2-CB 4.16Å |
| 337 | G | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -77.5 | 50.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H298 C333 I334 | H298-G337 PolarHBondContact CE1-O 3.3Å; H298-G337 PolarHBondContact ND1-O 3.46Å; C333-G337 WeakPolarHBondContact O-CA 3.41Å; C333-G337 PolarHBondContact O-N 3.39Å; I334-G337 PolarHBondContact O-N 3.45Å |
| 338 | G | 96.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | 111.4 | -16.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V336 Y341 P409 N412 | V336-G338 PolarHBondContact O-N 2.92Å; G338-Y341 CarbonylContact C-O 3.58Å; G338-Y341 WeakPolarHBondContact CA-O 3.3Å; G338-P409 WeakPolarHBondContact O-CA 3.31Å; G338-N412 PolarHBondContact O-ND2 2.81Å |
| 339 | M | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.015 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -75.3 | -60.6 | 178.1 | -66.4 | -56.3 | -56.3 | 0 | 0 | 111.8 | F110 I334 V406 T407 P409 N412 | F110-M339 HydrophobicContact CB-CE 3.68Å; F110-M339 HydrophobicContact CB-CG 4.43Å; F110-M339 WeakPolarHBondContact O-CE 3.44Å; I334-M339 HydrophobicContact CG2-CG 3.54Å; I334-M339 HydrophobicContact CG2-SD 4.45Å; I334-M339 WeakPolarHBondContact O-CB 3.46Å; I334-M339 WeakPolarHBondContact O-CG 3.45Å; M339-V406 WeakPolarHBondContact O-CG1 3.08Å; M339-T407 WeakPolarHBondContact CE-O 3.36Å; M339-P409 HydrophobicContact CG-CG 4.34Å; M339-P409 WeakPolarHBondContact SD-CD 3.35Å; M339-P409 HydrophobicContact SD-CG 3.49Å; M339-P409 WeakPolarHBondContact SD-CG 3.16Å; M339-N412 PolarHBondContact O-ND2 2.94Å |
| 340 | F | 98.3 | Very high | 98.2 | Very high | 16 Ų | 16 | 21.6 Ų | 21.6 | 7% | 0.07 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -103 | -9 | -177.4 | -62.7 | -78.6 | 0 | 0 | 0 | 113.7 | F110 P213 F215 A335 L389 L401 L403 V406 | F110-F340 AromaticContact CD1-CE2 3.91Å; F110-F340 HydrophobicContact CD1-CE2 3.91Å; F110-F340 HydrophobicContact CD1-CZ 4.14Å; F110-F340 AromaticContact CE1-CE2 3.89Å; F110-F340 HydrophobicContact CE1-CE2 3.89Å; F110-F340 HydrophobicContact CE1-CZ 4.31Å; F110-F340 HydrophobicContact CZ-CE2 4.45Å; P213-F340 HydrophobicContact CB-CE1 4.05Å; P213-F340 HydrophobicContact CB-CZ 4.15Å; P213-F340 HydrophobicContact CG-CD1 4.37Å; P213-F340 HydrophobicContact CG-CE1 3.86Å; P213-F340 HydrophobicContact CG-CZ 3.95Å; F215-F340 HydrophobicContact CE1-CD2 4.16Å; F215-F340 AromaticContact CE1-CE2 3.52Å; F215-F340 HydrophobicContact CE1-CE2 3.52Å; F215-F340 AromaticContact CE1-CZ 3.85Å; F215-F340 HydrophobicContact CE1-CZ 3.85Å; F215-F340 HydrophobicContact CZ-CD2 4.39Å; F215-F340 HydrophobicContact CZ-CE2 4.18Å; A335-F340 HydrophobicContact CB-CD2 3.94Å; A335-F340 HydrophobicContact CB-CE2 4.22Å; A335-F340 WeakPolarHBondContact O-CD2 3.45Å; A335-F340 PolarHBondContact O-N 3.32Å; F340-L389 HydrophobicContact CB-CD1 4.23Å; F340-L389 HydrophobicContact CB-CD2 3.45Å; F340-L389 VanDerWaalsContact CB-CD2 3.45Å; F340-L389 HydrophobicContact CB-CG 4.43Å; F340-L389 HydrophobicContact CD2-CD1 4.49Å; F340-L389 HydrophobicContact CG-CD1 4.23Å; F340-L389 HydrophobicContact CG-CD2 4.32Å; F340-L401 PolarHBondContact O-N 3.47Å; F340-L403 HydrophobicContact CD1-CD2 3.63Å; F340-L403 HydrophobicContact CE1-CD2 3.65Å; F340-V406 HydrophobicContact CD1-CG1 4.29Å; F340-V406 HydrophobicContact CD1-CG2 4.08Å; F340-V406 HydrophobicContact CE1-CG1 4.16Å |
| 341 | Y | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -118.7 | 147.1 | 166.6 | -77.4 | -90.1 | 0 | 0 | 0 | 110.4 | V336 G338 L343 V347 F388 L389 I398 F399 K400 | V336-Y341 HydrophobicContact CG1-CD2 4.09Å; G338-Y341 CarbonylContact C-O 3.58Å; G338-Y341 WeakPolarHBondContact CA-O 3.3Å; Y341-L343 PolarHBondContact O-N 3.3Å; Y341-V347 VanDerWaalsContact CB-CG1 3.47Å; Y341-V347 HydrophobicContact CD1-CG2 4.34Å; Y341-V347 HydrophobicContact CG-CG1 4.31Å; Y341-V347 HydrophobicContact CG-CG2 4.44Å; Y341-F388 PolarHBondContact OH-O 3.1Å; Y341-L389 HydrophobicContact CD2-CD2 3.95Å; Y341-L389 HydrophobicContact CE2-CD2 3.46Å; Y341-L389 VanDerWaalsContact CE2-CD2 3.46Å; Y341-L389 HydrophobicContact CE2-CG 4.33Å; Y341-I398 HydrophobicContact CD1-CG2 3.81Å; Y341-I398 HydrophobicContact CE1-CG2 3.52Å; Y341-F399 CarbonylContact C-O 3.29Å; Y341-F399 WeakPolarHBondContact CA-O 3.18Å; Y341-F399 VanDerWaalsContact CD1-C 3.45Å; Y341-F399 WeakPolarHBondContact CD1-O 3.42Å; Y341-K400 HydrophobicContact CD1-CB 4.15Å; Y341-K400 HydrophobicContact CE1-CB 3.72Å |
| 342 | A | 97.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -68.2 | 126.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T344 V347 F399 L401 Y416 | A342-T344 PolarHBondContact O-N 3.34Å; A342-V347 WeakPolarHBondContact O-CG2 3.33Å; A342-F399 HydrophobicContact CB-CB 4.38Å; A342-F399 HydrophobicContact CB-CD1 4.15Å; A342-F399 PolarHBondContact N-O 3.06Å; A342-L401 HydrophobicContact CB-CD1 4.48Å; A342-L401 VanDerWaalsContact N-CD1 3.35Å; A342-Y416 VanDerWaalsContact CB-CB 3.5Å; A342-Y416 HydrophobicContact CB-CD1 4.12Å; A342-Y416 HydrophobicContact CB-CD2 3.68Å; A342-Y416 HydrophobicContact CB-CE2 4.4Å; A342-Y416 HydrophobicContact CB-CG 3.49Å; A342-Y416 VanDerWaalsContact CB-CG 3.49Å | ||
| 343 | L | 97.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 26.8 Ų | 26.8 | 19% | 0.188 | 13% | 0.129 | C | C | . | . | trans | -69.1 | 102.5 | -172.4 | -173.1 | 67.7 | 0 | 0 | 0 | 112.1 | I294 Y341 H348 L413 | I294-L343 HydrophobicContact CD1-CD2 4.03Å; I294-L343 HydrophobicContact CG1-CD2 4.41Å; I294-L343 HydrophobicContact CG2-CD2 3.64Å; Y341-L343 PolarHBondContact O-N 3.3Å; L343-H348 HydrophobicContact CD1-CB 4.3Å; L343-L413 VanDerWaalsContact O-CD1 3.23Å; L343-L413 WeakPolarHBondContact O-CD1 3.47Å | ||
| 344 | T | 97.2 | Very high | 98.1 | Very high | 21 Ų | 21 | 26.8 Ų | 26.8 | 13% | 0.129 | 13% | 0.129 | C | C | . | . | trans | -113.9 | 168.9 | 165.7 | 65.8 | 0 | 0 | 0 | 0 | 109.3 | A342 Q346 V347 H348 R397 Y416 | A342-T344 PolarHBondContact O-N 3.34Å; T344-Q346 PolarHBondContact O-N 3.14Å; T344-Q346 PolarHBondContact OG1-OE1 2.97Å; T344-V347 PolarHBondContact O-N 3Å; T344-V347 VanDerWaalsContact O-N 3.15Å; T344-V347 WeakPolarHBondContact OG1-CG2 3.41Å; T344-V347 PolarHBondContact OG1-N 3.38Å; T344-H348 PolarHBondContact O-N 3.41Å; T344-R397 WeakPolarHBondContact CG2-O 3.34Å; T344-R397 PolarHBondContact OG1-O 2.98Å; T344-Y416 HydrophobicContact CG2-CE1 4.22Å | ||
| 345 | W | 96.9 | Very high | 98.1 | Very high | 166 Ų | 166 | 26.7 Ų | 26.7 | 63% | 0.629 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -63.6 | -30.3 | 176.5 | 72.6 | -101.5 | 0 | 0 | 0 | 112.3 | H348 L349 | W345-H348 PolarHBondContact O-N 3.07Å; W345-L349 HydrophobicContact CE3-CD1 3.72Å; W345-L349 HydrophobicContact CE3-CG 4.39Å; W345-L349 HydrophobicContact CZ3-CD1 3.6Å; W345-L349 WeakPolarHBondContact O-CG 3.41Å; W345-L349 PolarHBondContact O-N 3.43Å; W345-L349 VanDerWaalsContact O-N 3.11Å |
| 346 | Q | 97.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 30.6 Ų | 30.6 | 13% | 0.126 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 172.8 | -67.3 | 81.2 | 1.2 | 0 | 0 | 111.3 | T344 H348 L349 L350 R397 I398 | T344-Q346 PolarHBondContact O-N 3.14Å; T344-Q346 PolarHBondContact OG1-OE1 2.97Å; Q346-H348 VanDerWaalsContact C-N 3.3Å; Q346-L349 PolarHBondContact O-N 3.26Å; Q346-L350 WeakPolarHBondContact O-CB 3.41Å; Q346-L350 PolarHBondContact O-N 2.94Å; Q346-R397 HydrophobicContact CG-CB 4.33Å; Q346-I398 HydrophobicContact CB-CD1 4.49Å; Q346-I398 HydrophobicContact CB-CG1 3.97Å |
| 347 | V | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.2 | -35 | 178.4 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | V336 Y341 A342 T344 L350 A351 I398 | V336-V347 WeakPolarHBondContact O-CG1 3.21Å; Y341-V347 VanDerWaalsContact CB-CG1 3.47Å; Y341-V347 HydrophobicContact CD1-CG2 4.34Å; Y341-V347 HydrophobicContact CG-CG1 4.31Å; Y341-V347 HydrophobicContact CG-CG2 4.44Å; A342-V347 WeakPolarHBondContact O-CG2 3.33Å; T344-V347 PolarHBondContact O-N 3Å; T344-V347 VanDerWaalsContact O-N 3.15Å; T344-V347 WeakPolarHBondContact OG1-CG2 3.41Å; T344-V347 PolarHBondContact OG1-N 3.38Å; V347-L350 CarbonylContact O-C 3.58Å; V347-L350 WeakPolarHBondContact O-CB 3.49Å; V347-L350 PolarHBondContact O-N 3.39Å; V347-A351 WeakPolarHBondContact O-CB 3.46Å; V347-A351 PolarHBondContact O-N 3.33Å; V347-I398 HydrophobicContact CG2-CB 4.48Å; V347-I398 HydrophobicContact CG2-CG1 4.39Å; V347-I398 HydrophobicContact CG2-CG2 4.42Å |
| 348 | H | 98.5 | Very high | 98.2 | Very high | 65 Ų | 65 | 34.7 Ų | 34.7 | 30% | 0.301 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.6 | -48.7 | 171.9 | 179.4 | 69.2 | 0 | 0 | 0 | 111.7 | H298 L343 T344 W345 Q346 L350 A351 I352 | H298-H348 AromaticContact CD2-ND1 3.99Å; H298-H348 AromaticContact CE1-ND1 3.97Å; H298-H348 AromaticContact NE2-CE1 3.94Å; H298-H348 AromaticContact NE2-ND1 3.13Å; H298-H348 PolarHBondContact NE2-ND1 2.98Å; H298-H348 VanDerWaalsContact NE2-ND1 3.13Å; L343-H348 HydrophobicContact CD1-CB 4.3Å; T344-H348 PolarHBondContact O-N 3.41Å; W345-H348 PolarHBondContact O-N 3.07Å; Q346-H348 VanDerWaalsContact C-N 3.3Å; H348-L350 VanDerWaalsContact C-N 3.3Å; H348-L350 PolarHBondContact O-N 3.47Å; H348-A351 WeakPolarHBondContact O-CB 3.29Å; H348-A351 PolarHBondContact O-N 2.8Å; H348-A351 VanDerWaalsContact O-N 3.16Å; H348-I352 WeakPolarHBondContact O-CG1 3.46Å; H348-I352 PolarHBondContact O-N 3.23Å; H348-I352 VanDerWaalsContact O-N 3.08Å |
| 349 | L | 98.4 | Very high | 98.2 | Very high | 91 Ų | 91 | 34.9 Ų | 34.9 | 48% | 0.476 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.8 | -37 | 174.5 | -65.4 | 180 | 0 | 0 | 0 | 112.4 | W345 Q346 A351 I352 T353 | W345-L349 HydrophobicContact CE3-CD1 3.72Å; W345-L349 HydrophobicContact CE3-CG 4.39Å; W345-L349 HydrophobicContact CZ3-CD1 3.6Å; W345-L349 WeakPolarHBondContact O-CG 3.41Å; W345-L349 PolarHBondContact O-N 3.43Å; W345-L349 VanDerWaalsContact O-N 3.11Å; Q346-L349 PolarHBondContact O-N 3.26Å; L349-A351 VanDerWaalsContact C-N 3.32Å; L349-A351 PolarHBondContact O-N 2.93Å; L349-I352 PolarHBondContact O-N 3.11Å; L349-T353 WeakPolarHBondContact O-CB 3.35Å; L349-T353 PolarHBondContact O-N 3.35Å; L349-T353 PolarHBondContact O-OG1 3.05Å |
| 350 | L | 98.4 | Very high | 98.2 | Very high | 23 Ų | 23 | 40.3 Ų | 40.3 | 12% | 0.12 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -38 | 174.9 | -172.3 | 67 | 0 | 0 | 0 | 111.5 | V336 Q346 V347 H348 T353 C354 F388 L391 I398 | V336-L350 HydrophobicContact CG1-CB 4.23Å; V336-L350 HydrophobicContact CG1-CD2 4.07Å; V336-L350 HydrophobicContact CG1-CG 3.97Å; Q346-L350 WeakPolarHBondContact O-CB 3.41Å; Q346-L350 PolarHBondContact O-N 2.94Å; V347-L350 CarbonylContact O-C 3.58Å; V347-L350 WeakPolarHBondContact O-CB 3.49Å; V347-L350 PolarHBondContact O-N 3.39Å; H348-L350 VanDerWaalsContact C-N 3.3Å; H348-L350 PolarHBondContact O-N 3.47Å; L350-T353 PolarHBondContact O-N 3.45Å; L350-C354 WeakPolarHBondContact O-CB 3.28Å; L350-C354 PolarHBondContact O-N 3.48Å; L350-F388 HydrophobicContact CD1-CD1 3.71Å; L350-F388 HydrophobicContact CD1-CE1 3.77Å; L350-F388 HydrophobicContact CG-CD1 3.98Å; L350-F388 HydrophobicContact CG-CE1 4.37Å; L350-L391 HydrophobicContact CD1-CD2 3.98Å; L350-L391 HydrophobicContact CD2-CD2 4.26Å; L350-I398 HydrophobicContact CD2-CG2 4.05Å |
| 351 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V336 V347 H348 L349 T353 C354 A355 | V336-A351 HydrophobicContact CB-CB 3.92Å; V336-A351 HydrophobicContact CG1-CB 3.89Å; V347-A351 WeakPolarHBondContact O-CB 3.46Å; V347-A351 PolarHBondContact O-N 3.33Å; H348-A351 WeakPolarHBondContact O-CB 3.29Å; H348-A351 PolarHBondContact O-N 2.8Å; H348-A351 VanDerWaalsContact O-N 3.16Å; L349-A351 VanDerWaalsContact C-N 3.32Å; L349-A351 PolarHBondContact O-N 2.93Å; A351-T353 VanDerWaalsContact C-N 3.33Å; A351-T353 PolarHBondContact O-N 3.04Å; A351-C354 WeakPolarHBondContact O-CB 3.41Å; A351-C354 PolarHBondContact O-N 2.87Å; A351-A355 WeakPolarHBondContact O-CB 2.97Å; A351-A355 PolarHBondContact O-N 3.47Å |
| 352 | I | 98.8 | Very high | 98.3 | Very high | 33 Ų | 33 | 42 Ų | 42 | 17% | 0.169 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 173.4 | -61 | -58.6 | 0 | 0 | 0 | 110.8 | L301 V305 H348 L349 C354 A355 F356 | L301-I352 HydrophobicContact CB-CD1 4.12Å; L301-I352 HydrophobicContact CD1-CD1 4.37Å; V305-I352 HydrophobicContact CG2-CD1 4.12Å; V305-I352 HydrophobicContact CG2-CG2 4.09Å; H348-I352 WeakPolarHBondContact O-CG1 3.46Å; H348-I352 PolarHBondContact O-N 3.23Å; H348-I352 VanDerWaalsContact O-N 3.08Å; L349-I352 PolarHBondContact O-N 3.11Å; I352-C354 PolarHBondContact O-N 2.98Å; I352-A355 WeakPolarHBondContact O-CB 3.35Å; I352-A355 PolarHBondContact O-N 3.29Å; I352-F356 HydrophobicContact CG2-CD2 3.88Å; I352-F356 HydrophobicContact CG2-CE2 3.71Å; I352-F356 VanDerWaalsContact O-CD2 3.3Å; I352-F356 WeakPolarHBondContact O-CD2 3.12Å; I352-F356 PolarHBondContact O-N 2.64Å |
| 353 | T | 98.6 | Very high | 98.2 | Very high | 77 Ų | 77 | 43.7 Ų | 43.7 | 47% | 0.472 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 176 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | L349 L350 A351 A355 F356 F357 F388 | L349-T353 WeakPolarHBondContact O-CB 3.35Å; L349-T353 PolarHBondContact O-N 3.35Å; L349-T353 PolarHBondContact O-OG1 3.05Å; L350-T353 PolarHBondContact O-N 3.45Å; A351-T353 VanDerWaalsContact C-N 3.33Å; A351-T353 PolarHBondContact O-N 3.04Å; T353-A355 VanDerWaalsContact C-N 3.34Å; T353-F356 PolarHBondContact O-N 3.27Å; T353-F357 WeakPolarHBondContact O-CB 3.24Å; T353-F357 PolarHBondContact O-N 3.2Å; T353-F388 HydrophobicContact CG2-CE1 4.16Å; T353-F388 HydrophobicContact CG2-CZ 4.19Å |
| 354 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 174.8 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | V336 L350 A351 I352 F357 C358 F388 | V336-C354 HydrophobicContact CG2-CB 3.97Å; L350-C354 WeakPolarHBondContact O-CB 3.28Å; L350-C354 PolarHBondContact O-N 3.48Å; A351-C354 WeakPolarHBondContact O-CB 3.41Å; A351-C354 PolarHBondContact O-N 2.87Å; I352-C354 PolarHBondContact O-N 2.98Å; C354-F357 PolarHBondContact O-N 3.4Å; C354-C358 WeakPolarHBondContact O-CB 3.35Å; C354-C358 PolarHBondContact O-N 3.45Å; C354-F388 HydrophobicContact CB-CD1 3.59Å; C354-F388 HydrophobicContact CB-CD2 4.23Å; C354-F388 HydrophobicContact CB-CE1 3.67Å; C354-F388 HydrophobicContact CB-CE2 4.31Å; C354-F388 HydrophobicContact CB-CG 3.88Å; C354-F388 HydrophobicContact CB-CZ 4.04Å |
| 355 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V305 C329 C333 A351 I352 T353 C358 A359 | V305-A355 HydrophobicContact CB-CB 4.13Å; V305-A355 HydrophobicContact CG1-CB 3.72Å; C329-A355 HydrophobicContact CB-CB 4.22Å; C329-A355 PolarHBondContact SG-O 3.44Å; C329-A355 VanDerWaalsContact SG-O 3.38Å; C333-A355 HydrophobicContact CB-CB 4.06Å; A351-A355 WeakPolarHBondContact O-CB 2.97Å; A351-A355 PolarHBondContact O-N 3.47Å; I352-A355 WeakPolarHBondContact O-CB 3.35Å; I352-A355 PolarHBondContact O-N 3.29Å; T353-A355 VanDerWaalsContact C-N 3.34Å; A355-C358 WeakPolarHBondContact O-CB 3.36Å; A355-C358 PolarHBondContact O-N 3Å; A355-A359 PolarHBondContact O-N 3.28Å |
| 356 | F | 98.6 | Very high | 98.3 | Very high | 81 Ų | 81 | 38 Ų | 38 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60 | -52.7 | 172.5 | -85.2 | -69 | 0 | 0 | 0 | 111.3 | V305 S309 I352 T353 C358 A359 Y360 | V305-F356 HydrophobicContact CG1-CB 4.36Å; V305-F356 HydrophobicContact CG1-CD1 3.79Å; V305-F356 HydrophobicContact CG1-CD2 3.7Å; V305-F356 HydrophobicContact CG1-CE1 3.89Å; V305-F356 HydrophobicContact CG1-CE2 3.82Å; V305-F356 HydrophobicContact CG1-CG 3.67Å; V305-F356 HydrophobicContact CG1-CZ 3.91Å; V305-F356 HydrophobicContact CG2-CE2 4.28Å; S309-F356 WeakPolarHBondContact OG-CD1 3.39Å; S309-F356 WeakPolarHBondContact OG-CE1 3.38Å; I352-F356 HydrophobicContact CG2-CD2 3.88Å; I352-F356 HydrophobicContact CG2-CE2 3.71Å; I352-F356 VanDerWaalsContact O-CD2 3.3Å; I352-F356 WeakPolarHBondContact O-CD2 3.12Å; I352-F356 PolarHBondContact O-N 2.64Å; T353-F356 PolarHBondContact O-N 3.27Å; F356-C358 PolarHBondContact O-N 3.01Å; F356-A359 WeakPolarHBondContact O-CB 3.08Å; F356-A359 PolarHBondContact O-N 2.73Å; F356-Y360 WeakPolarHBondContact O-CD2 3.44Å; F356-Y360 PolarHBondContact O-N 2.94Å |
| 357 | F | 98.8 | Very high | 98.2 | Very high | 86 Ų | 86 | 40.9 Ų | 40.9 | 38% | 0.377 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -53.4 | -41.9 | 176.8 | 176.5 | -94.8 | 0 | 0 | 0 | 111.5 | T353 C354 Y360 L361 S384 F388 | T353-F357 WeakPolarHBondContact O-CB 3.24Å; T353-F357 PolarHBondContact O-N 3.2Å; C354-F357 PolarHBondContact O-N 3.4Å; F357-Y360 PolarHBondContact O-N 2.94Å; F357-L361 HydrophobicContact CE1-CD2 3.92Å; F357-L361 HydrophobicContact CZ-CD2 4.39Å; F357-L361 WeakPolarHBondContact O-CB 3.32Å; F357-L361 PolarHBondContact O-N 3.25Å; F357-S384 WeakPolarHBondContact CD1-OG 3.26Å; F357-F388 HydrophobicContact CB-CE2 3.97Å; F357-F388 HydrophobicContact CB-CZ 4.1Å; F357-F388 HydrophobicContact CD1-CD2 4.49Å; F357-F388 AromaticContact CD1-CE2 3.79Å; F357-F388 HydrophobicContact CD1-CE2 3.79Å; F357-F388 HydrophobicContact CE1-CE2 4.46Å; F357-F388 AromaticContact CG-CE2 3.85Å; F357-F388 HydrophobicContact CG-CE2 3.85Å; F357-F388 HydrophobicContact CG-CZ 4.4Å |
| 358 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 178.6 | -164.4 | 0 | 0 | 0 | 0 | 113.1 | A332 C354 A355 F356 L361 G362 P380 F381 S384 | A332-C358 HydrophobicContact CB-CB 3.81Å; C354-C358 WeakPolarHBondContact O-CB 3.35Å; C354-C358 PolarHBondContact O-N 3.45Å; A355-C358 WeakPolarHBondContact O-CB 3.36Å; A355-C358 PolarHBondContact O-N 3Å; F356-C358 PolarHBondContact O-N 3.01Å; C358-L361 PolarHBondContact O-N 3.31Å; C358-G362 WeakPolarHBondContact O-CA 3.38Å; C358-G362 PolarHBondContact O-N 2.99Å; C358-P380 VanDerWaalsContact SG-C 3.55Å; C358-P380 PolarHBondContact SG-O 3.32Å; C358-F381 VanDerWaalsContact SG-CA 3.52Å; C358-S384 VanDerWaalsContact CA-OG 3.29Å; C358-S384 WeakPolarHBondContact CA-OG 3.48Å; C358-S384 WeakPolarHBondContact CB-OG 3.31Å |
| 359 | A | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W325 C329 A355 F356 G362 S363 | W325-A359 HydrophobicContact CE3-CB 4.35Å; C329-A359 VanDerWaalsContact SG-CA 3.6Å; C329-A359 VanDerWaalsContact SG-CB 3.52Å; A355-A359 PolarHBondContact O-N 3.28Å; F356-A359 WeakPolarHBondContact O-CB 3.08Å; F356-A359 PolarHBondContact O-N 2.73Å; A359-G362 WeakPolarHBondContact O-CA 3.47Å; A359-G362 PolarHBondContact O-N 3.27Å; A359-G362 VanDerWaalsContact O-N 3.16Å; A359-S363 PolarHBondContact O-N 3.28Å; A359-S363 VanDerWaalsContact O-N 3.12Å |
| 360 | Y | 98 | Very high | 98 | Very high | 118 Ų | 118 | 40.5 Ų | 40.5 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.6 | -47.5 | 176.8 | -82 | -91.7 | 0 | 0 | 0 | 111.4 | L313 F356 F357 G362 S363 A364 | L313-Y360 HydrophobicContact CD1-CD1 3.62Å; L313-Y360 HydrophobicContact CD1-CE1 3.59Å; L313-Y360 HydrophobicContact CD1-CG 4.2Å; L313-Y360 HydrophobicContact CD2-CD1 4.17Å; L313-Y360 HydrophobicContact CD2-CE1 3.46Å; L313-Y360 VanDerWaalsContact CD2-CE1 3.46Å; L313-Y360 HydrophobicContact CG-CD1 4.29Å; L313-Y360 HydrophobicContact CG-CE1 3.74Å; F356-Y360 WeakPolarHBondContact O-CD2 3.44Å; F356-Y360 PolarHBondContact O-N 2.94Å; F357-Y360 PolarHBondContact O-N 2.94Å; Y360-G362 PolarHBondContact O-N 3.46Å; Y360-S363 PolarHBondContact O-N 3.22Å; Y360-A364 PolarHBondContact O-N 2.86Å; Y360-A364 VanDerWaalsContact O-N 3.08Å |
| 361 | L | 98.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -32.6 | 176.2 | -172.4 | 61.4 | 0 | 0 | 0 | 111.4 | F357 C358 A364 I365 P380 L383 | F357-L361 HydrophobicContact CE1-CD2 3.92Å; F357-L361 HydrophobicContact CZ-CD2 4.39Å; F357-L361 WeakPolarHBondContact O-CB 3.32Å; F357-L361 PolarHBondContact O-N 3.25Å; C358-L361 PolarHBondContact O-N 3.31Å; L361-A364 PolarHBondContact O-N 2.84Å; L361-I365 HydrophobicContact CD1-CD1 3.93Å; L361-I365 HydrophobicContact CD1-CG1 4.04Å; L361-I365 HydrophobicContact CD2-CD1 4.18Å; L361-I365 HydrophobicContact CG-CD1 3.7Å; L361-I365 HydrophobicContact CG-CG1 4.19Å; L361-I365 WeakPolarHBondContact O-CB 3.2Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 3.34Å; L361-P380 HydrophobicContact CG-CB 4.47Å; L361-L383 HydrophobicContact CD2-CB 3.83Å |
| 362 | G | 98.3 | Very high | 97.7 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.9 | -53.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C358 A359 Y360 A364 A366 P380 | C358-G362 WeakPolarHBondContact O-CA 3.38Å; C358-G362 PolarHBondContact O-N 2.99Å; A359-G362 WeakPolarHBondContact O-CA 3.47Å; A359-G362 PolarHBondContact O-N 3.27Å; A359-G362 VanDerWaalsContact O-N 3.16Å; Y360-G362 PolarHBondContact O-N 3.46Å; G362-A364 PolarHBondContact O-N 2.94Å; G362-A366 VanDerWaalsContact O-CB 3.27Å; G362-A366 WeakPolarHBondContact O-CB 3.48Å; G362-A366 PolarHBondContact O-N 3.47Å; G362-P380 VanDerWaalsContact CA-CG 3.48Å |
| 363 | S | 97 | Very high | 97.5 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 175.7 | -172.8 | 0 | 0 | 0 | 0 | 112 | A359 Y360 A366 N367 | A359-S363 PolarHBondContact O-N 3.28Å; A359-S363 VanDerWaalsContact O-N 3.12Å; Y360-S363 PolarHBondContact O-N 3.22Å; S363-A366 PolarHBondContact O-N 2.9Å; S363-N367 VanDerWaalsContact O-CG 3.25Å; S363-N367 PolarHBondContact O-N 3.47Å; S363-N367 PolarHBondContact O-ND2 2.81Å |
| 364 | A | 97.6 | Very high | 97.4 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y360 L361 G362 N367 I368 | Y360-A364 PolarHBondContact O-N 2.86Å; Y360-A364 VanDerWaalsContact O-N 3.08Å; L361-A364 PolarHBondContact O-N 2.84Å; G362-A364 PolarHBondContact O-N 2.94Å; A364-N367 PolarHBondContact O-N 3.16Å; A364-I368 WeakPolarHBondContact O-CG1 3.26Å; A364-I368 PolarHBondContact O-N 3.06Å; A364-I368 VanDerWaalsContact O-N 3.1Å |
| 365 | I | 98.1 | Very high | 97.3 | Very high | 22 Ų | 22 | 53 Ų | 53 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 179.2 | -68.6 | 176.6 | 0 | 0 | 0 | 110.8 | L361 N367 I368 M369 A376 W379 P380 L383 | L361-I365 HydrophobicContact CD1-CD1 3.93Å; L361-I365 HydrophobicContact CD1-CG1 4.04Å; L361-I365 HydrophobicContact CD2-CD1 4.18Å; L361-I365 HydrophobicContact CG-CD1 3.7Å; L361-I365 HydrophobicContact CG-CG1 4.19Å; L361-I365 WeakPolarHBondContact O-CB 3.2Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 3.34Å; I365-N367 VanDerWaalsContact C-N 3.31Å; I365-N367 PolarHBondContact O-N 3.23Å; I365-I368 PolarHBondContact O-N 2.85Å; I365-M369 HydrophobicContact CG2-CG 3.72Å; I365-M369 VanDerWaalsContact O-CB 3.28Å; I365-M369 WeakPolarHBondContact O-CB 3.12Å; I365-M369 WeakPolarHBondContact O-CG 3.34Å; I365-M369 PolarHBondContact O-N 3.18Å; I365-A376 HydrophobicContact CG2-CB 3.98Å; I365-W379 HydrophobicContact CD1-CB 4.23Å; I365-W379 HydrophobicContact CG2-CB 4.16Å; I365-P380 HydrophobicContact CB-CG 4.2Å; I365-P380 HydrophobicContact CD1-CB 4.32Å; I365-P380 HydrophobicContact CD1-CG 4.06Å; I365-P380 HydrophobicContact CG2-CG 4.41Å; I365-L383 HydrophobicContact CD1-CD1 3.75Å |
| 366 | A | 97.3 | Very high | 97.3 | Very high | 39 Ų | 39 | 53.3 Ų | 53.3 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.3 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G362 S363 M369 S370 A376 | G362-A366 VanDerWaalsContact O-CB 3.27Å; G362-A366 WeakPolarHBondContact O-CB 3.48Å; G362-A366 PolarHBondContact O-N 3.47Å; S363-A366 PolarHBondContact O-N 2.9Å; A366-M369 PolarHBondContact O-N 2.93Å; A366-S370 VanDerWaalsContact O-CB 3.31Å; A366-S370 WeakPolarHBondContact O-CB 3.5Å; A366-S370 PolarHBondContact O-N 3.4Å; A366-S370 PolarHBondContact O-OG 3.1Å; A366-A376 HydrophobicContact CB-CB 3.99Å |
| 367 | N | 95.8 | Very high | 97.2 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 176.6 | -69.5 | -25.2 | 0 | 0 | 0 | 111.8 | S363 A364 I365 S370 | S363-N367 VanDerWaalsContact O-CG 3.25Å; S363-N367 PolarHBondContact O-N 3.47Å; S363-N367 PolarHBondContact O-ND2 2.81Å; A364-N367 PolarHBondContact O-N 3.16Å; I365-N367 VanDerWaalsContact C-N 3.31Å; I365-N367 PolarHBondContact O-N 3.23Å; N367-S370 PolarHBondContact O-OG 2.91Å |
| 368 | I | 96.9 | Very high | 97.2 | Very high | 107 Ų | 107 | 46 Ų | 46 | 55% | 0.549 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.4 | -49.7 | 178 | -67.1 | 166.2 | 0 | 0 | 0 | 111.1 | A364 I365 S370 R371 | A364-I368 WeakPolarHBondContact O-CG1 3.26Å; A364-I368 PolarHBondContact O-N 3.06Å; A364-I368 VanDerWaalsContact O-N 3.1Å; I365-I368 PolarHBondContact O-N 2.85Å; I368-S370 VanDerWaalsContact C-N 3.32Å; I368-S370 PolarHBondContact O-N 2.88Å; I368-R371 VanDerWaalsContact O-CB 3.3Å; I368-R371 WeakPolarHBondContact O-CB 3.39Å; I368-R371 PolarHBondContact O-N 2.93Å; I368-R371 VanDerWaalsContact O-N 3.16Å |
| 369 | M | 97.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 14% | 0.143 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66 | -34.4 | -175.5 | -68.6 | -67.5 | -102.8 | 0 | 0 | 112 | C224 I365 A366 R371 F372 G373 L374 | C224-M369 VanDerWaalsContact SG-CE 3.6Å; I365-M369 HydrophobicContact CG2-CG 3.72Å; I365-M369 VanDerWaalsContact O-CB 3.28Å; I365-M369 WeakPolarHBondContact O-CB 3.12Å; I365-M369 WeakPolarHBondContact O-CG 3.34Å; I365-M369 PolarHBondContact O-N 3.18Å; A366-M369 PolarHBondContact O-N 2.93Å; M369-R371 PolarHBondContact O-N 3.41Å; M369-R371 VanDerWaalsContact O-N 3.11Å; M369-F372 WeakPolarHBondContact O-CA 3.4Å; M369-F372 PolarHBondContact O-N 3.43Å; M369-G373 PolarHBondContact O-N 3.27Å; M369-L374 CarbonylContact C-O 3.6Å; M369-L374 HydrophobicContact CB-CB 4Å; M369-L374 WeakPolarHBondContact CB-O 3.45Å; M369-L374 HydrophobicContact CE-CB 4.3Å; M369-L374 HydrophobicContact CE-CD1 3.99Å; M369-L374 PolarHBondContact O-N 2.92Å; M369-L374 HydrophobicContact SD-CB 4.45Å; M369-L374 HydrophobicContact SD-CD1 4.23Å |
| 370 | S | 96.4 | Very high | 97.2 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.5 | -26.5 | 176 | 73.8 | 0 | 0 | 0 | 0 | 113.1 | P244 A366 N367 I368 F372 G373 L374 | P244-S370 VanDerWaalsContact CA-OG 3.31Å; P244-S370 WeakPolarHBondContact CA-OG 3.34Å; A366-S370 VanDerWaalsContact O-CB 3.31Å; A366-S370 WeakPolarHBondContact O-CB 3.5Å; A366-S370 PolarHBondContact O-N 3.4Å; A366-S370 PolarHBondContact O-OG 3.1Å; N367-S370 PolarHBondContact O-OG 2.91Å; I368-S370 VanDerWaalsContact C-N 3.32Å; I368-S370 PolarHBondContact O-N 2.88Å; S370-F372 PolarHBondContact O-N 3.19Å; S370-G373 PolarHBondContact O-N 3.46Å; S370-L374 PolarHBondContact N-O 3.4Å |
| 371 | R | 95.9 | Very high | 97.2 | Very high | 187 Ų | 187 | 43 Ų | 43 | 71% | 0.706 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.3 | 176.4 | -164.7 | 65 | -177.7 | 100.8 | -7.3 | 112.9 | I368 M369 | I368-R371 VanDerWaalsContact O-CB 3.3Å; I368-R371 WeakPolarHBondContact O-CB 3.39Å; I368-R371 PolarHBondContact O-N 2.93Å; I368-R371 VanDerWaalsContact O-N 3.16Å; M369-R371 PolarHBondContact O-N 3.41Å; M369-R371 VanDerWaalsContact O-N 3.11Å |
| 372 | F | 94.2 | Very high | 97.3 | Very high | 150 Ų | 150 | 41.1 Ų | 41.1 | 66% | 0.658 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 6.6 | 175.6 | -58.4 | -81 | 0 | 0 | 0 | 112.6 | M369 S370 L374 | M369-F372 WeakPolarHBondContact O-CA 3.4Å; M369-F372 PolarHBondContact O-N 3.43Å; S370-F372 PolarHBondContact O-N 3.19Å; F372-L374 VanDerWaalsContact C-N 3.3Å; F372-L374 HydrophobicContact CB-CD1 4.28Å; F372-L374 HydrophobicContact CB-CG 4.28Å |
| 373 | G | 95.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 43.8 Ų | 43.8 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 26.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I242 M369 S370 | I242-G373 WeakPolarHBondContact O-CA 3.47Å; M369-G373 PolarHBondContact O-N 3.27Å; S370-G373 PolarHBondContact O-N 3.46Å |
| 374 | L | 97.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | trans | -111.8 | 147.6 | -177.5 | -68.4 | 178.3 | 0 | 0 | 0 | 112.7 | C224 M227 V228 M369 S370 F372 | C224-L374 HydrophobicContact CB-CD1 4.14Å; C224-L374 HydrophobicContact CB-CD2 4.5Å; M227-L374 HydrophobicContact CB-CD2 3.5Å; M227-L374 HydrophobicContact SD-CD2 4.44Å; V228-L374 HydrophobicContact CG2-CD1 3.64Å; V228-L374 HydrophobicContact CG2-CD2 3.79Å; V228-L374 HydrophobicContact CG2-CG 3.97Å; M369-L374 CarbonylContact C-O 3.6Å; M369-L374 HydrophobicContact CB-CB 4Å; M369-L374 WeakPolarHBondContact CB-O 3.45Å; M369-L374 HydrophobicContact CE-CB 4.3Å; M369-L374 HydrophobicContact CE-CD1 3.99Å; M369-L374 PolarHBondContact O-N 2.92Å; M369-L374 HydrophobicContact SD-CB 4.45Å; M369-L374 HydrophobicContact SD-CD1 4.23Å; S370-L374 PolarHBondContact N-O 3.4Å; F372-L374 VanDerWaalsContact C-N 3.3Å; F372-L374 HydrophobicContact CB-CD1 4.28Å; F372-L374 HydrophobicContact CB-CG 4.28Å | ||
| 375 | P | 96.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 40 Ų | 40 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | trans | -76.1 | 160.6 | 166.6 | 33.9 | -35 | 0 | 0 | 0 | 110.8 | F175 M227 I242 C377 | F175-P375 HydrophobicContact CD2-CG 4.17Å; F175-P375 HydrophobicContact CE1-CB 4.04Å; F175-P375 HydrophobicContact CE1-CG 4.16Å; F175-P375 HydrophobicContact CE2-CB 4.1Å; F175-P375 HydrophobicContact CE2-CG 3.59Å; F175-P375 HydrophobicContact CZ-CB 3.58Å; F175-P375 HydrophobicContact CZ-CG 3.6Å; M227-P375 HydrophobicContact CE-CG 4.26Å; M227-P375 WeakPolarHBondContact SD-CD 3.48Å; M227-P375 HydrophobicContact SD-CG 3.75Å; I242-P375 HydrophobicContact CD1-CB 3.99Å; I242-P375 HydrophobicContact CD1-CG 4.24Å; P375-C377 VanDerWaalsContact C-N 3.25Å; P375-C377 VanDerWaalsContact CG-SG 3.58Å; P375-C377 PolarHBondContact O-N 3.05Å | ||
| 376 | A | 97.2 | Very high | 97.4 | Very high | 8 Ų | 8 | 40 Ų | 40 | 7% | 0.066 | 20% | 0.202 | C | C | . | . | trans | -69.5 | -24.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I365 A366 T378 W379 P380 | I365-A376 HydrophobicContact CG2-CB 3.98Å; A366-A376 HydrophobicContact CB-CB 3.99Å; A376-T378 PolarHBondContact O-N 3.3Å; A376-W379 WeakPolarHBondContact O-CB 3.28Å; A376-W379 PolarHBondContact O-N 2.85Å; A376-P380 HydrophobicContact CB-CG 4.2Å | ||
| 377 | C | 97.3 | Very high | 97.5 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 5% | 0.054 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | -134.2 | -169.9 | -72 | 0 | 0 | 0 | 0 | 110.2 | F219 N220 Y327 N328 P375 | F219-C377 HydrophobicContact CE1-CB 3.84Å; F219-C377 HydrophobicContact CZ-CB 3.88Å; N220-C377 WeakPolarHBondContact OD1-CB 3.36Å; Y327-C377 WeakPolarHBondContact CE2-O 3.38Å; Y327-C377 PolarHBondContact OH-O 3.19Å; N328-C377 PolarHBondContact ND2-O 3.49Å; N328-C377 VanDerWaalsContact ND2-O 3.1Å; P375-C377 VanDerWaalsContact C-N 3.25Å; P375-C377 VanDerWaalsContact CG-SG 3.58Å; P375-C377 PolarHBondContact O-N 3.05Å |
| 378 | T | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 19.9 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | T216 F219 N220 Y327 N328 L331 A376 P380 F381 C382 | T216-T378 WeakPolarHBondContact CB-OG1 3.48Å; T216-T378 PolarHBondContact OG1-OG1 3.13Å; F219-T378 HydrophobicContact CE1-CG2 4.42Å; F219-T378 VanDerWaalsContact CE1-OG1 3.3Å; F219-T378 WeakPolarHBondContact CE1-OG1 3.45Å; N220-T378 PolarHBondContact ND2-OG1 3.41Å; N220-T378 WeakPolarHBondContact OD1-CA 3.48Å; N220-T378 PolarHBondContact OD1-N 2.94Å; N220-T378 PolarHBondContact OD1-OG1 2.9Å; Y327-T378 HydrophobicContact CD2-CG2 3.99Å; Y327-T378 HydrophobicContact CE2-CG2 3.81Å; N328-T378 VanDerWaalsContact OD1-CA 3.27Å; N328-T378 WeakPolarHBondContact OD1-CA 3.41Å; L331-T378 HydrophobicContact CD1-CG2 3.86Å; A376-T378 PolarHBondContact O-N 3.3Å; T378-P380 VanDerWaalsContact C-N 3.31Å; T378-F381 PolarHBondContact O-N 3.49Å; T378-C382 PolarHBondContact O-N 3.13Å; T378-C382 PolarHBondContact O-SG 3Å |
| 379 | W | 98.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 34.1 Ų | 34.1 | 23% | 0.231 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -51.6 | -44.7 | 168.2 | -79.4 | 109.3 | 0 | 0 | 0 | 112.8 | L217 N220 I221 I365 A376 F381 C382 L383 | L217-W379 HydrophobicContact CD2-CE3 3.89Å; L217-W379 HydrophobicContact CD2-CH2 4.24Å; L217-W379 HydrophobicContact CD2-CZ3 3.51Å; N220-W379 HydrophobicContact CB-CD2 3.97Å; N220-W379 HydrophobicContact CB-CG 4.15Å; N220-W379 HydrophobicContact CB-CZ2 4.04Å; N220-W379 PolarHBondContact OD1-N 3.35Å; N220-W379 VanDerWaalsContact OD1-N 3.09Å; I221-W379 HydrophobicContact CD1-CH2 4.49Å; I221-W379 HydrophobicContact CG1-CH2 3.8Å; I221-W379 HydrophobicContact CG1-CZ2 3.83Å; I365-W379 HydrophobicContact CD1-CB 4.23Å; I365-W379 HydrophobicContact CG2-CB 4.16Å; A376-W379 WeakPolarHBondContact O-CB 3.28Å; A376-W379 PolarHBondContact O-N 2.85Å; W379-F381 VanDerWaalsContact C-N 3.35Å; W379-F381 PolarHBondContact O-N 3.43Å; W379-C382 PolarHBondContact O-N 3.24Å; W379-L383 WeakPolarHBondContact O-CG 3.47Å; W379-L383 PolarHBondContact O-N 2.91Å |
| 380 | P | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 179 | -21.4 | 31.9 | 0 | 0 | 0 | 112.8 | N328 C358 L361 G362 I365 A376 T378 S384 | N328-P380 HydrophobicContact CB-CB 4.22Å; N328-P380 WeakPolarHBondContact OD1-CD 3.4Å; C358-P380 VanDerWaalsContact SG-C 3.55Å; C358-P380 PolarHBondContact SG-O 3.32Å; L361-P380 HydrophobicContact CG-CB 4.47Å; G362-P380 VanDerWaalsContact CA-CG 3.48Å; I365-P380 HydrophobicContact CB-CG 4.2Å; I365-P380 HydrophobicContact CD1-CB 4.32Å; I365-P380 HydrophobicContact CD1-CG 4.06Å; I365-P380 HydrophobicContact CG2-CG 4.41Å; A376-P380 HydrophobicContact CB-CG 4.2Å; T378-P380 VanDerWaalsContact C-N 3.31Å; P380-S384 WeakPolarHBondContact O-CB 3.47Å; P380-S384 PolarHBondContact O-N 3Å; P380-S384 PolarHBondContact O-OG 2.96Å |
| 381 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.4 | -54.7 | 174.1 | 149.3 | -111.5 | 0 | 0 | 0 | 111.3 | F110 F215 T216 N328 L331 A332 A335 C358 T378 W379 L383 S384 A385 | F110-F381 HydrophobicContact CE1-CZ 4.12Å; F110-F381 HydrophobicContact CZ-CE1 4.43Å; F110-F381 AromaticContact CZ-CE2 3.8Å; F110-F381 HydrophobicContact CZ-CE2 3.8Å; F110-F381 AromaticContact CZ-CZ 3.47Å; F110-F381 HydrophobicContact CZ-CZ 3.47Å; F110-F381 VanDerWaalsContact CZ-CZ 3.47Å; F215-F381 HydrophobicContact CB-CE1 3.81Å; F215-F381 HydrophobicContact CB-CZ 3.86Å; F215-F381 HydrophobicContact CD1-CE1 4.38Å; F215-F381 HydrophobicContact CD1-CE2 4.45Å; F215-F381 AromaticContact CD1-CZ 3.6Å; F215-F381 HydrophobicContact CD1-CZ 3.6Å; F215-F381 HydrophobicContact CD2-CZ 4.11Å; F215-F381 HydrophobicContact CE1-CE2 4.44Å; F215-F381 AromaticContact CE1-CZ 3.99Å; F215-F381 HydrophobicContact CE1-CZ 3.99Å; F215-F381 HydrophobicContact CG-CE1 4.11Å; F215-F381 AromaticContact CG-CZ 3.63Å; F215-F381 HydrophobicContact CG-CZ 3.63Å; F215-F381 HydrophobicContact CZ-CZ 4.42Å; T216-F381 HydrophobicContact CG2-CE1 4.32Å; N328-F381 HydrophobicContact CB-CB 4.3Å; N328-F381 VanDerWaalsContact OD1-CB 3.23Å; N328-F381 WeakPolarHBondContact OD1-CB 3.26Å; N328-F381 PolarHBondContact OD1-N 3.33Å; L331-F381 HydrophobicContact CB-CB 4.11Å; L331-F381 HydrophobicContact CB-CD1 3.96Å; L331-F381 HydrophobicContact CB-CD2 3.33Å; L331-F381 HydrophobicContact CB-CE1 4.27Å; L331-F381 HydrophobicContact CB-CE2 3.73Å; L331-F381 HydrophobicContact CB-CG 3.47Å; L331-F381 VanDerWaalsContact CB-CG 3.47Å; L331-F381 HydrophobicContact CB-CZ 4.2Å; L331-F381 HydrophobicContact CD1-CB 4.34Å; L331-F381 HydrophobicContact CD1-CD1 3.6Å; L331-F381 HydrophobicContact CD1-CE1 4.05Å; L331-F381 HydrophobicContact CD1-CG 3.86Å; L331-F381 HydrophobicContact CG-CD1 4.43Å; L331-F381 HydrophobicContact CG-CG 4.34Å; A332-F381 HydrophobicContact CB-CD2 4.32Å; A335-F381 HydrophobicContact CB-CE2 4.22Å; C358-F381 VanDerWaalsContact SG-CA 3.52Å; T378-F381 PolarHBondContact O-N 3.49Å; W379-F381 VanDerWaalsContact C-N 3.35Å; W379-F381 PolarHBondContact O-N 3.43Å; F381-L383 VanDerWaalsContact C-N 3.34Å; F381-L383 PolarHBondContact O-N 2.95Å; F381-S384 PolarHBondContact O-N 3.35Å; F381-A385 HydrophobicContact CD2-CB 4.08Å; F381-A385 HydrophobicContact CE2-CB 3.69Å; F381-A385 WeakPolarHBondContact O-CB 3.4Å; F381-A385 PolarHBondContact O-N 3.47Å |
| 382 | C | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.7 | -48.6 | -175.8 | -72.1 | 0 | 0 | 0 | 0 | 111.6 | T216 L217 T378 W379 L386 | T216-C382 PolarHBondContact OG1-SG 2.78Å; L217-C382 HydrophobicContact CD2-CB 3.56Å; L217-C382 HydrophobicContact CG-CB 3.96Å; T378-C382 PolarHBondContact O-N 3.13Å; T378-C382 PolarHBondContact O-SG 3Å; W379-C382 PolarHBondContact O-N 3.24Å; C382-L386 VanDerWaalsContact O-CB 3.31Å; C382-L386 WeakPolarHBondContact O-CB 3.29Å; C382-L386 WeakPolarHBondContact O-CD1 3.24Å; C382-L386 WeakPolarHBondContact O-CG 3.35Å; C382-L386 PolarHBondContact O-N 3.43Å |
| 383 | L | 98.7 | Very high | 97.2 | Very high | 69 Ų | 69 | 33.8 Ų | 33.8 | 36% | 0.361 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68 | -38.6 | -178.3 | -65 | 176.6 | 0 | 0 | 0 | 112 | L361 I365 W379 F381 T387 | L361-L383 HydrophobicContact CD2-CB 3.83Å; I365-L383 HydrophobicContact CD1-CD1 3.75Å; W379-L383 WeakPolarHBondContact O-CG 3.47Å; W379-L383 PolarHBondContact O-N 2.91Å; F381-L383 VanDerWaalsContact C-N 3.34Å; F381-L383 PolarHBondContact O-N 2.95Å; L383-T387 VanDerWaalsContact O-CB 3.31Å; L383-T387 WeakPolarHBondContact O-CB 3.47Å; L383-T387 PolarHBondContact O-N 3.23Å; L383-T387 PolarHBondContact O-OG1 2.86Å |
| 384 | S | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.2 | -52.7 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | F357 C358 P380 F381 L386 T387 F388 | F357-S384 WeakPolarHBondContact CD1-OG 3.26Å; C358-S384 VanDerWaalsContact CA-OG 3.29Å; C358-S384 WeakPolarHBondContact CA-OG 3.48Å; C358-S384 WeakPolarHBondContact CB-OG 3.31Å; P380-S384 WeakPolarHBondContact O-CB 3.47Å; P380-S384 PolarHBondContact O-N 3Å; P380-S384 PolarHBondContact O-OG 2.96Å; F381-S384 PolarHBondContact O-N 3.35Å; S384-L386 VanDerWaalsContact C-N 3.35Å; S384-L386 PolarHBondContact O-N 2.92Å; S384-T387 PolarHBondContact O-N 3.04Å; S384-F388 VanDerWaalsContact O-CD2 3.28Å; S384-F388 WeakPolarHBondContact O-CD2 3.46Å; S384-F388 PolarHBondContact O-N 3.38Å |
| 385 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -39.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F215 A335 F381 F388 L389 | F215-A385 HydrophobicContact CD2-CB 4.26Å; F215-A385 HydrophobicContact CE2-CB 3.42Å; F215-A385 VanDerWaalsContact CE2-CB 3.42Å; F215-A385 HydrophobicContact CZ-CB 3.61Å; A335-A385 HydrophobicContact CB-CB 4.21Å; F381-A385 HydrophobicContact CD2-CB 4.08Å; F381-A385 HydrophobicContact CE2-CB 3.69Å; F381-A385 WeakPolarHBondContact O-CB 3.4Å; F381-A385 PolarHBondContact O-N 3.47Å; A385-F388 PolarHBondContact O-N 2.66Å; A385-L389 WeakPolarHBondContact O-CB 3.28Å; A385-L389 VanDerWaalsContact O-CG 3.26Å; A385-L389 WeakPolarHBondContact O-CG 3.45Å; A385-L389 PolarHBondContact O-N 2.88Å |
| 386 | L | 98.4 | Very high | 95.9 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 12% | 0.12 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 175 | -71.5 | 170.2 | 0 | 0 | 0 | 112 | L212 F215 L217 C382 S384 F388 L389 L390 | L212-L386 HydrophobicContact CB-CD2 4.06Å; L212-L386 HydrophobicContact CD1-CD2 4.05Å; L212-L386 HydrophobicContact CD2-CD2 4.37Å; L212-L386 HydrophobicContact CG-CD2 4.4Å; F215-L386 HydrophobicContact CD2-CD2 3.96Å; F215-L386 HydrophobicContact CD2-CG 3.84Å; F215-L386 HydrophobicContact CE2-CD2 3.84Å; F215-L386 HydrophobicContact CE2-CG 3.85Å; L217-L386 HydrophobicContact CD1-CD1 4Å; C382-L386 VanDerWaalsContact O-CB 3.31Å; C382-L386 WeakPolarHBondContact O-CB 3.29Å; C382-L386 WeakPolarHBondContact O-CD1 3.24Å; C382-L386 WeakPolarHBondContact O-CG 3.35Å; C382-L386 PolarHBondContact O-N 3.43Å; S384-L386 VanDerWaalsContact C-N 3.35Å; S384-L386 PolarHBondContact O-N 2.92Å; L386-F388 VanDerWaalsContact C-N 3.31Å; L386-F388 PolarHBondContact O-N 3.48Å; L386-L389 PolarHBondContact O-N 2.94Å; L386-L390 WeakPolarHBondContact O-CB 3.24Å; L386-L390 WeakPolarHBondContact O-CG 3.38Å; L386-L390 PolarHBondContact O-N 2.89Å |
| 387 | T | 98.1 | Very high | 95.6 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 110.6 | L383 S384 L390 L391 | L383-T387 VanDerWaalsContact O-CB 3.31Å; L383-T387 WeakPolarHBondContact O-CB 3.47Å; L383-T387 PolarHBondContact O-N 3.23Å; L383-T387 PolarHBondContact O-OG1 2.86Å; S384-T387 PolarHBondContact O-N 3.04Å; T387-L390 PolarHBondContact O-N 3.44Å; T387-L391 PolarHBondContact O-N 3.44Å |
| 388 | F | 98.2 | Very high | 95.5 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 11% | 0.114 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72 | -31 | -179.9 | -82.7 | -113.3 | 0 | 0 | 0 | 112.6 | V336 Y341 L350 T353 C354 F357 S384 A385 L386 L390 L391 | V336-F388 HydrophobicContact CG2-CB 4.16Å; Y341-F388 PolarHBondContact OH-O 3.1Å; L350-F388 HydrophobicContact CD1-CD1 3.71Å; L350-F388 HydrophobicContact CD1-CE1 3.77Å; L350-F388 HydrophobicContact CG-CD1 3.98Å; L350-F388 HydrophobicContact CG-CE1 4.37Å; T353-F388 HydrophobicContact CG2-CE1 4.16Å; T353-F388 HydrophobicContact CG2-CZ 4.19Å; C354-F388 HydrophobicContact CB-CD1 3.59Å; C354-F388 HydrophobicContact CB-CD2 4.23Å; C354-F388 HydrophobicContact CB-CE1 3.67Å; C354-F388 HydrophobicContact CB-CE2 4.31Å; C354-F388 HydrophobicContact CB-CG 3.88Å; C354-F388 HydrophobicContact CB-CZ 4.04Å; F357-F388 HydrophobicContact CB-CE2 3.97Å; F357-F388 HydrophobicContact CB-CZ 4.1Å; F357-F388 HydrophobicContact CD1-CD2 4.49Å; F357-F388 AromaticContact CD1-CE2 3.79Å; F357-F388 HydrophobicContact CD1-CE2 3.79Å; F357-F388 HydrophobicContact CE1-CE2 4.46Å; F357-F388 AromaticContact CG-CE2 3.85Å; F357-F388 HydrophobicContact CG-CE2 3.85Å; F357-F388 HydrophobicContact CG-CZ 4.4Å; S384-F388 VanDerWaalsContact O-CD2 3.28Å; S384-F388 WeakPolarHBondContact O-CD2 3.46Å; S384-F388 PolarHBondContact O-N 3.38Å; A385-F388 PolarHBondContact O-N 2.66Å; L386-F388 VanDerWaalsContact C-N 3.31Å; L386-F388 PolarHBondContact O-N 3.48Å; F388-L390 VanDerWaalsContact C-N 3.29Å; F388-L391 WeakPolarHBondContact O-CB 3.4Å; F388-L391 PolarHBondContact O-N 2.87Å |
| 389 | L | 97.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.8 | -17.6 | 173.9 | -76.2 | 171.6 | 0 | 0 | 0 | 114.3 | L212 P213 F215 F340 Y341 A385 L386 K400 | L212-L389 HydrophobicContact CD2-CB 3.53Å; L212-L389 HydrophobicContact CD2-CD1 4.31Å; P213-L389 HydrophobicContact CG-CD1 4.16Å; F215-L389 HydrophobicContact CE2-CD1 4.01Å; F215-L389 HydrophobicContact CZ-CD1 3.55Å; F340-L389 HydrophobicContact CB-CD1 4.23Å; F340-L389 HydrophobicContact CB-CD2 3.45Å; F340-L389 VanDerWaalsContact CB-CD2 3.45Å; F340-L389 HydrophobicContact CB-CG 4.43Å; F340-L389 HydrophobicContact CD2-CD1 4.49Å; F340-L389 HydrophobicContact CG-CD1 4.23Å; F340-L389 HydrophobicContact CG-CD2 4.32Å; Y341-L389 HydrophobicContact CD2-CD2 3.95Å; Y341-L389 HydrophobicContact CE2-CD2 3.46Å; Y341-L389 VanDerWaalsContact CE2-CD2 3.46Å; Y341-L389 HydrophobicContact CE2-CG 4.33Å; A385-L389 WeakPolarHBondContact O-CB 3.28Å; A385-L389 VanDerWaalsContact O-CG 3.26Å; A385-L389 WeakPolarHBondContact O-CG 3.45Å; A385-L389 PolarHBondContact O-N 2.88Å; L386-L389 PolarHBondContact O-N 2.94Å; L389-K400 HydrophobicContact CD2-CD 4.43Å; L389-K400 HydrophobicContact CD2-CG 4.33Å |
| 390 | L | 96.8 | Very high | 95.2 | Very high | 91 Ų | 91 | 54.6 Ų | 54.6 | 48% | 0.476 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7.5 | 171.7 | -78.1 | 167.9 | 0 | 0 | 0 | 112.7 | W210 L212 L386 T387 F388 T392 | W210-L390 HydrophobicContact CB-CD2 4.2Å; W210-L390 HydrophobicContact CG-CD2 4.26Å; L212-L390 HydrophobicContact CD1-CD1 4.1Å; L212-L390 HydrophobicContact CD1-CD2 3.8Å; L212-L390 HydrophobicContact CD1-CG 3.82Å; L212-L390 HydrophobicContact CD2-CG 4.49Å; L386-L390 WeakPolarHBondContact O-CB 3.24Å; L386-L390 WeakPolarHBondContact O-CG 3.38Å; L386-L390 PolarHBondContact O-N 2.89Å; T387-L390 PolarHBondContact O-N 3.44Å; F388-L390 VanDerWaalsContact C-N 3.29Å; L390-T392 PolarHBondContact O-N 3.07Å |
| 391 | L | 95.3 | Very high | 95.1 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 42% | 0.424 | 30% | 0.299 | S | S | . | . | trans | -59.8 | 121.9 | 177.1 | 179.2 | 65.7 | 0 | 0 | 0 | 110.5 | L350 T387 F388 | L350-L391 HydrophobicContact CD1-CD2 3.98Å; L350-L391 HydrophobicContact CD2-CD2 4.26Å; T387-L391 PolarHBondContact O-N 3.44Å; F388-L391 WeakPolarHBondContact O-CB 3.4Å; F388-L391 PolarHBondContact O-N 2.87Å | ||
| 392 | T | 92.5 | Very high | 94.9 | Very high | 132 Ų | 132 | 57.1 Ų | 57.1 | 81% | 0.81 | 32% | 0.315 | S | S | * | . | trans | -98.1 | 140.7 | 169.4 | 59 | 0 | 0 | 0 | 0 | 109.8 | L390 | L390-T392 PolarHBondContact O-N 3.07Š| ||
| 393 | T | 90.9 | Very high | 94.7 | Very high | 68 Ų | 68 | 59.1 Ų | 59.1 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | trans | -150.2 | 145.1 | -178 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | S395 I398 | T393-S395 PolarHBondContact O-N 3.12Å; T393-S395 PolarHBondContact OG1-N 3.46Å; T393-I398 HydrophobicContact CG2-CB 3.77Å; T393-I398 HydrophobicContact CG2-CD1 4.24Å; T393-I398 HydrophobicContact CG2-CG2 3.88Å | ||
| 394 | G | 88.6 | Confident | 94.4 | Very high | 81 Ų | 81 | 60.6 Ų | 60.6 | 84% | 0.835 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -73.8 | -8.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K396 | G394-K396 PolarHBondContact O-N 3.04Š|
| 395 | S | 88.9 | Confident | 94.1 | Very high | 44 Ų | 44 | 63.9 Ų | 63.9 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | trans | -78.5 | 115 | -178.7 | -179 | 0 | 0 | 0 | 0 | 112.1 | T393 R397 I398 | T393-S395 PolarHBondContact O-N 3.12Å; T393-S395 PolarHBondContact OG1-N 3.46Å; S395-R397 PolarHBondContact O-N 3.3Å; S395-R397 PolarHBondContact OG-N 3.36Å; S395-I398 PolarHBondContact O-N 3.28Å | ||
| 396 | K | 85.1 | Confident | 94 | Very high | 170 Ų | 170 | 65.5 Ų | 65.5 | 74% | 0.739 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -4.6 | 174.5 | -59.4 | -175.2 | -179.2 | -176.2 | 0 | 114.5 | G394 Y416 | G394-K396 PolarHBondContact O-N 3.04Å; K396-Y416 PolarHBondContact O-OH 3.43Å |
| 397 | R | 89.9 | Confident | 93.9 | Very high | 139 Ų | 139 | 65.9 Ų | 65.9 | 53% | 0.525 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -16.9 | 179.3 | -61.3 | -175.7 | -178.5 | 169.9 | -1 | 113.1 | T344 Q346 S395 | T344-R397 WeakPolarHBondContact CG2-O 3.34Å; T344-R397 PolarHBondContact OG1-O 2.98Å; Q346-R397 HydrophobicContact CG-CB 4.33Å; S395-R397 PolarHBondContact O-N 3.3Å; S395-R397 PolarHBondContact OG-N 3.36Å |
| 398 | I | 95.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 64.8 Ų | 64.8 | 19% | 0.19 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -99.8 | 95 | 170.9 | -62.7 | 172.7 | 0 | 0 | 0 | 106 | Y341 Q346 V347 L350 T393 S395 | Y341-I398 HydrophobicContact CD1-CG2 3.81Å; Y341-I398 HydrophobicContact CE1-CG2 3.52Å; Q346-I398 HydrophobicContact CB-CD1 4.49Å; Q346-I398 HydrophobicContact CB-CG1 3.97Å; V347-I398 HydrophobicContact CG2-CB 4.48Å; V347-I398 HydrophobicContact CG2-CG1 4.39Å; V347-I398 HydrophobicContact CG2-CG2 4.42Å; L350-I398 HydrophobicContact CD2-CG2 4.05Å; T393-I398 HydrophobicContact CG2-CB 3.77Å; T393-I398 HydrophobicContact CG2-CD1 4.24Å; T393-I398 HydrophobicContact CG2-CG2 3.88Å; S395-I398 PolarHBondContact O-N 3.28Å |
| 399 | F | 95.3 | Very high | 93.9 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | trans | -114.3 | 108.5 | -173.4 | -178.5 | -93.9 | 0 | 0 | 0 | 110 | Y341 A342 Y416 L419 | Y341-F399 CarbonylContact C-O 3.29Å; Y341-F399 WeakPolarHBondContact CA-O 3.18Å; Y341-F399 VanDerWaalsContact CD1-C 3.45Å; Y341-F399 WeakPolarHBondContact CD1-O 3.42Å; A342-F399 HydrophobicContact CB-CB 4.38Å; A342-F399 HydrophobicContact CB-CD1 4.15Å; A342-F399 PolarHBondContact N-O 3.06Å; F399-Y416 HydrophobicContact CB-CD2 3.91Å; F399-Y416 HydrophobicContact CB-CE2 3.6Å; F399-Y416 AromaticContact CD1-CD2 3.67Å; F399-Y416 HydrophobicContact CD1-CD2 3.67Å; F399-Y416 HydrophobicContact CD1-CE2 4.2Å; F399-Y416 HydrophobicContact CD2-CE2 4.38Å; F399-Y416 HydrophobicContact CE1-CD2 4.32Å; F399-Y416 AromaticContact CG-CD2 3.77Å; F399-Y416 HydrophobicContact CG-CD2 3.77Å; F399-Y416 AromaticContact CG-CE2 3.81Å; F399-Y416 HydrophobicContact CG-CE2 3.81Å; F399-L419 HydrophobicContact CE1-CD1 4.29Å; F399-L419 HydrophobicContact CZ-CD1 3.96Å | ||
| 400 | K | 96.5 | Very high | 93.9 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 24% | 0.235 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -70.6 | 129.7 | 171.3 | -178.6 | -177.1 | 170.2 | -174.4 | 0 | 108.6 | W210 D211 Y341 L389 | W210-K400 PolarHBondContact O-NZ 2.92Å; D211-K400 VanDerWaalsContact O-CE 3.3Å; D211-K400 WeakPolarHBondContact O-CE 3.43Å; D211-K400 PolarHBondContact O-NZ 2.89Å; Y341-K400 HydrophobicContact CD1-CB 4.15Å; Y341-K400 HydrophobicContact CE1-CB 3.72Å; L389-K400 HydrophobicContact CD2-CD 4.43Å; L389-K400 HydrophobicContact CD2-CG 4.33Å |
| 401 | L | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 140.4 | 175.4 | -72.8 | 118.5 | 0 | 0 | 0 | 110.3 | F340 A342 L403 V406 N412 F415 | F340-L401 PolarHBondContact O-N 3.47Å; A342-L401 HydrophobicContact CB-CD1 4.48Å; A342-L401 VanDerWaalsContact N-CD1 3.35Å; L401-L403 PolarHBondContact O-N 3.34Å; L401-V406 HydrophobicContact CB-CG2 3.86Å; L401-N412 HydrophobicContact CD1-CB 3.92Å; L401-N412 HydrophobicContact CD2-CB 3.76Å; L401-F415 HydrophobicContact CD2-CD1 3.84Å; L401-F415 HydrophobicContact CD2-CE1 4.37Å |
| 402 | P | 95.1 | Very high | 94 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 132.5 | 164.8 | -20 | 31.9 | 0 | 0 | 0 | 109.9 | D211 A404 N405 V406 | D211-P402 VanDerWaalsContact OD2-CA 3.28Å; D211-P402 WeakPolarHBondContact OD2-CA 3.5Å; P402-A404 PolarHBondContact O-N 3.32Å; P402-A404 VanDerWaalsContact O-N 3.14Å; P402-N405 PolarHBondContact O-N 3.47Å; P402-V406 PolarHBondContact O-N 3.35Å |
| 403 | L | 93.6 | Very high | 94.2 | Very high | 43 Ų | 43 | 57 Ų | 57 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -57.3 | -35.3 | -173.9 | -71.4 | -179.9 | 0 | 0 | 0 | 113.8 | D211 L212 P213 F340 L401 N405 V406 | D211-L403 WeakPolarHBondContact O-CD1 3.28Å; D211-L403 VanDerWaalsContact OD1-CB 3.32Å; D211-L403 WeakPolarHBondContact OD1-CB 3.32Å; D211-L403 WeakPolarHBondContact OD1-CD1 3.39Å; D211-L403 WeakPolarHBondContact OD1-CG 3.12Å; D211-L403 PolarHBondContact OD2-N 3.47Å; L212-L403 VanDerWaalsContact C-CD1 3.4Å; P213-L403 HydrophobicContact CB-CD2 4.49Å; F340-L403 HydrophobicContact CD1-CD2 3.63Å; F340-L403 HydrophobicContact CE1-CD2 3.65Å; L401-L403 PolarHBondContact O-N 3.34Å; L403-N405 PolarHBondContact O-N 2.8Å; L403-N405 VanDerWaalsContact O-N 3.1Å; L403-V406 HydrophobicContact CD2-CG2 4.39Å; L403-V406 PolarHBondContact O-N 3.48Å; L403-V406 VanDerWaalsContact O-N 3.11Å |
| 404 | A | 92.8 | Very high | 94.4 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 82% | 0.818 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -60.4 | -19.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P402 | P402-A404 PolarHBondContact O-N 3.32Å; P402-A404 VanDerWaalsContact O-N 3.14Å |
| 405 | N | 93.7 | Very high | 94.7 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -106.6 | -0.7 | -179.9 | -63.9 | -38.9 | 0 | 0 | 0 | 113.2 | P402 L403 T407 F415 | P402-N405 PolarHBondContact O-N 3.47Å; L403-N405 PolarHBondContact O-N 2.8Å; L403-N405 VanDerWaalsContact O-N 3.1Å; N405-T407 PolarHBondContact O-N 2.89Å; N405-F415 HydrophobicContact CB-CE1 4.13Å; N405-F415 HydrophobicContact CB-CZ 4.12Å; N405-F415 WeakPolarHBondContact ND2-CZ 3.43Å |
| 406 | V | 96.7 | Very high | 95 | Very high | 35 Ų | 35 | 54 Ų | 54 | 21% | 0.212 | 28% | 0.279 | C | S | . | . | trans | -71.9 | 125.2 | 179.6 | 172.5 | 0 | 0 | 0 | 0 | 109.5 | M339 F340 L401 P402 L403 | M339-V406 WeakPolarHBondContact O-CG1 3.08Å; F340-V406 HydrophobicContact CD1-CG1 4.29Å; F340-V406 HydrophobicContact CD1-CG2 4.08Å; F340-V406 HydrophobicContact CE1-CG1 4.16Å; L401-V406 HydrophobicContact CB-CG2 3.86Å; P402-V406 PolarHBondContact O-N 3.35Å; L403-V406 HydrophobicContact CD2-CG2 4.39Å; L403-V406 PolarHBondContact O-N 3.48Å; L403-V406 VanDerWaalsContact O-N 3.11Å | ||
| 407 | T | 95.9 | Very high | 95.5 | Very high | 30 Ų | 30 | 53 Ų | 53 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | trans | -128.5 | -102.7 | 173.4 | 51 | 0 | 0 | 0 | 0 | 108.4 | D80 M339 N405 K411 N412 | D80-T407 WeakPolarHBondContact OD2-CB 3.3Å; M339-T407 WeakPolarHBondContact CE-O 3.36Å; N405-T407 PolarHBondContact O-N 2.89Å; T407-K411 HydrophobicContact CG2-CD 4.22Å; T407-K411 WeakPolarHBondContact OG1-CB 3.48Å; T407-K411 WeakPolarHBondContact OG1-CD 3.43Å; T407-K411 WeakPolarHBondContact OG1-CG 3.5Å; T407-N412 PolarHBondContact N-OD1 3.49Å; T407-N412 PolarHBondContact OG1-OD1 3.15Å; T407-N412 VanDerWaalsContact OG1-OD1 3.07Å | ||
| 408 | Y | 97.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 22% | 0.216 | 27% | 0.274 | C | S | . | . | trans | -128.2 | 158.7 | 175.2 | 59.9 | -86.6 | 0 | 0 | 0 | 110.4 | E410 K411 N412 | Y408-E410 VanDerWaalsContact C-N 3.35Å; Y408-E410 HydrophobicContact CD2-CB 3.97Å; Y408-E410 WeakPolarHBondContact CD2-OE2 3.18Å; Y408-E410 HydrophobicContact CE2-CB 3.83Å; Y408-E410 PolarHBondContact O-N 3.29Å; Y408-K411 HydrophobicContact CD1-CB 4.11Å; Y408-K411 HydrophobicContact CD1-CD 4.49Å; Y408-K411 HydrophobicContact CD2-CB 4.14Å; Y408-K411 HydrophobicContact CE1-CB 3.72Å; Y408-K411 HydrophobicContact CE1-CD 3.77Å; Y408-K411 HydrophobicContact CE1-CG 4.4Å; Y408-K411 HydrophobicContact CE2-CB 3.77Å; Y408-K411 HydrophobicContact CG-CB 4.31Å; Y408-K411 PolarHBondContact O-N 2.86Å; Y408-N412 WeakPolarHBondContact O-CB 3.37Å; Y408-N412 PolarHBondContact O-N 3.39Å; Y408-N412 PolarHBondContact O-ND2 3.33Å; Y408-N412 PolarHBondContact O-OD1 2.86Å | ||
| 409 | P | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -39.5 | -163.9 | -28.1 | 37.9 | 0 | 0 | 0 | 115.2 | S292 I294 T295 G338 M339 K411 N412 L413 | S292-P409 WeakPolarHBondContact OG-CD 3.43Å; I294-P409 HydrophobicContact CB-CB 3.77Å; I294-P409 HydrophobicContact CB-CG 4.2Å; I294-P409 HydrophobicContact CD1-CB 4.12Å; I294-P409 HydrophobicContact CG2-CB 3.43Å; I294-P409 VanDerWaalsContact CG2-CB 3.43Å; I294-P409 HydrophobicContact CG2-CG 3.89Å; T295-P409 WeakPolarHBondContact OG1-CD 3.28Å; T295-P409 WeakPolarHBondContact OG1-CG 3.32Å; G338-P409 WeakPolarHBondContact O-CA 3.31Å; M339-P409 HydrophobicContact CG-CG 4.34Å; M339-P409 WeakPolarHBondContact SD-CD 3.35Å; M339-P409 HydrophobicContact SD-CG 3.49Å; M339-P409 WeakPolarHBondContact SD-CG 3.16Å; P409-K411 PolarHBondContact O-N 3.18Å; P409-N412 PolarHBondContact O-N 3.32Å; P409-L413 VanDerWaalsContact O-CB 3.23Å; P409-L413 WeakPolarHBondContact O-CB 3.31Å; P409-L413 PolarHBondContact O-N 3.47Å |
| 410 | E | 97.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 52.4 Ų | 52.4 | 27% | 0.271 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 178.9 | -66.5 | 78.6 | 177.7 | 0 | 0 | 111.1 | S292 P293 I294 Y408 A414 | S292-E410 WeakPolarHBondContact CB-OE2 3.34Å; S292-E410 PolarHBondContact OG-OE1 2.93Å; S292-E410 PolarHBondContact OG-OE2 3.4Å; P293-E410 VanDerWaalsContact CD-OE1 3.3Å; P293-E410 WeakPolarHBondContact CD-OE1 3.38Å; I294-E410 WeakPolarHBondContact CB-OE1 3.17Å; I294-E410 HydrophobicContact CD1-CG 3.72Å; I294-E410 HydrophobicContact CG1-CG 4.28Å; I294-E410 VanDerWaalsContact CG1-OE1 3.32Å; I294-E410 WeakPolarHBondContact CG1-OE1 3.25Å; I294-E410 PolarHBondContact N-OE1 3.41Å; Y408-E410 VanDerWaalsContact C-N 3.35Å; Y408-E410 HydrophobicContact CD2-CB 3.97Å; Y408-E410 WeakPolarHBondContact CD2-OE2 3.18Å; Y408-E410 HydrophobicContact CE2-CB 3.83Å; Y408-E410 PolarHBondContact O-N 3.29Å; E410-A414 PolarHBondContact O-N 3.24Å; E410-A414 VanDerWaalsContact O-N 3.08Å |
| 411 | K | 96.3 | Very high | 95.4 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -74.7 | -37.6 | 177.8 | -177.2 | 169.2 | 175.2 | 174.4 | 0 | 112 | E82 T407 Y408 P409 L413 A414 F415 | E82-K411 IonicContact OE1-NZ 2.67Å; E82-K411 PolarHBondContact OE1-NZ 2.94Å; E82-K411 IonicContact OE2-NZ 2.7Å; T407-K411 HydrophobicContact CG2-CD 4.22Å; T407-K411 WeakPolarHBondContact OG1-CB 3.48Å; T407-K411 WeakPolarHBondContact OG1-CD 3.43Å; T407-K411 WeakPolarHBondContact OG1-CG 3.5Å; Y408-K411 HydrophobicContact CD1-CB 4.11Å; Y408-K411 HydrophobicContact CD1-CD 4.49Å; Y408-K411 HydrophobicContact CD2-CB 4.14Å; Y408-K411 HydrophobicContact CE1-CB 3.72Å; Y408-K411 HydrophobicContact CE1-CD 3.77Å; Y408-K411 HydrophobicContact CE1-CG 4.4Å; Y408-K411 HydrophobicContact CE2-CB 3.77Å; Y408-K411 HydrophobicContact CG-CB 4.31Å; Y408-K411 PolarHBondContact O-N 2.86Å; P409-K411 PolarHBondContact O-N 3.18Å; K411-L413 VanDerWaalsContact C-N 3.3Å; K411-L413 PolarHBondContact O-N 2.81Å; K411-A414 PolarHBondContact O-N 3.34Å; K411-F415 WeakPolarHBondContact O-CB 3.4Å; K411-F415 PolarHBondContact O-N 3.21Å |
| 412 | N | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 173.1 | -64.9 | -16.4 | 0 | 0 | 0 | 111.4 | G338 M339 L401 T407 Y408 P409 F415 Y416 | G338-N412 PolarHBondContact O-ND2 2.81Å; M339-N412 PolarHBondContact O-ND2 2.94Å; L401-N412 HydrophobicContact CD1-CB 3.92Å; L401-N412 HydrophobicContact CD2-CB 3.76Å; T407-N412 PolarHBondContact N-OD1 3.49Å; T407-N412 PolarHBondContact OG1-OD1 3.15Å; T407-N412 VanDerWaalsContact OG1-OD1 3.07Å; Y408-N412 WeakPolarHBondContact O-CB 3.37Å; Y408-N412 PolarHBondContact O-N 3.39Å; Y408-N412 PolarHBondContact O-ND2 3.33Å; Y408-N412 PolarHBondContact O-OD1 2.86Å; P409-N412 PolarHBondContact O-N 3.32Å; N412-F415 WeakPolarHBondContact O-CB 3.23Å; N412-F415 PolarHBondContact O-N 3.26Å; N412-Y416 PolarHBondContact O-N 3.01Å |
| 413 | L | 96.4 | Very high | 95.1 | Very high | 39 Ų | 39 | 63.9 Ų | 63.9 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66 | -43.8 | 175.8 | -176.1 | 58.5 | 0 | 0 | 0 | 111.5 | L343 P409 K411 F415 Y416 W417 | L343-L413 VanDerWaalsContact O-CD1 3.23Å; L343-L413 WeakPolarHBondContact O-CD1 3.47Å; P409-L413 VanDerWaalsContact O-CB 3.23Å; P409-L413 WeakPolarHBondContact O-CB 3.31Å; P409-L413 PolarHBondContact O-N 3.47Å; K411-L413 VanDerWaalsContact C-N 3.3Å; K411-L413 PolarHBondContact O-N 2.81Å; L413-F415 VanDerWaalsContact C-N 3.31Å; L413-F415 PolarHBondContact O-N 2.76Å; L413-Y416 HydrophobicContact CD1-CD1 4.4Å; L413-Y416 WeakPolarHBondContact O-CB 3.38Å; L413-Y416 PolarHBondContact O-N 3.42Å; L413-W417 VanDerWaalsContact CD1-NE1 3.31Å; L413-W417 PolarHBondContact O-N 3.41Å |
| 414 | A | 96 | Very high | 95 | Very high | 59 Ų | 59 | 69.3 Ų | 69.3 | 49% | 0.488 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | E410 K411 W417 K418 | E410-A414 PolarHBondContact O-N 3.24Å; E410-A414 VanDerWaalsContact O-N 3.08Å; K411-A414 PolarHBondContact O-N 3.34Å; A414-W417 PolarHBondContact O-N 2.94Å; A414-K418 PolarHBondContact O-N 3.09Å |
| 415 | F | 95.6 | Very high | 95.1 | Very high | 57 Ų | 57 | 67.5 Ų | 67.5 | 25% | 0.25 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 174.3 | 173.5 | -102.6 | 0 | 0 | 0 | 112 | L401 N405 K411 N412 L413 W417 K418 L419 | L401-F415 HydrophobicContact CD2-CD1 3.84Å; L401-F415 HydrophobicContact CD2-CE1 4.37Å; N405-F415 HydrophobicContact CB-CE1 4.13Å; N405-F415 HydrophobicContact CB-CZ 4.12Å; N405-F415 WeakPolarHBondContact ND2-CZ 3.43Å; K411-F415 WeakPolarHBondContact O-CB 3.4Å; K411-F415 PolarHBondContact O-N 3.21Å; N412-F415 WeakPolarHBondContact O-CB 3.23Å; N412-F415 PolarHBondContact O-N 3.26Å; L413-F415 VanDerWaalsContact C-N 3.31Å; L413-F415 PolarHBondContact O-N 2.76Å; F415-W417 PolarHBondContact O-N 3.46Å; F415-K418 WeakPolarHBondContact O-CB 3.3Å; F415-K418 PolarHBondContact O-N 3.24Å; F415-L419 HydrophobicContact CD1-CD1 3.98Å; F415-L419 HydrophobicContact CE1-CD1 3.34Å; F415-L419 HydrophobicContact CE1-CG 4.14Å; F415-L419 HydrophobicContact CE2-CD1 4.27Å; F415-L419 HydrophobicContact CE2-CD2 4.45Å; F415-L419 HydrophobicContact CE2-CG 4.27Å; F415-L419 HydrophobicContact CZ-CD1 3.51Å; F415-L419 HydrophobicContact CZ-CD2 4.26Å; F415-L419 HydrophobicContact CZ-CG 3.99Å; F415-L419 PolarHBondContact O-N 2.95Å |
| 416 | Y | 95 | Very high | 95.1 | Very high | 12 Ų | 12 | 70 Ų | 70 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 176.1 | 171 | -103.9 | 0 | 0 | 0 | 113 | A342 T344 K396 F399 N412 L413 K418 L419 K420 | A342-Y416 VanDerWaalsContact CB-CB 3.5Å; A342-Y416 HydrophobicContact CB-CD1 4.12Å; A342-Y416 HydrophobicContact CB-CD2 3.68Å; A342-Y416 HydrophobicContact CB-CE2 4.4Å; A342-Y416 HydrophobicContact CB-CG 3.49Å; A342-Y416 VanDerWaalsContact CB-CG 3.49Å; T344-Y416 HydrophobicContact CG2-CE1 4.22Å; K396-Y416 PolarHBondContact O-OH 3.43Å; F399-Y416 HydrophobicContact CB-CD2 3.91Å; F399-Y416 HydrophobicContact CB-CE2 3.6Å; F399-Y416 AromaticContact CD1-CD2 3.67Å; F399-Y416 HydrophobicContact CD1-CD2 3.67Å; F399-Y416 HydrophobicContact CD1-CE2 4.2Å; F399-Y416 HydrophobicContact CD2-CE2 4.38Å; F399-Y416 HydrophobicContact CE1-CD2 4.32Å; F399-Y416 AromaticContact CG-CD2 3.77Å; F399-Y416 HydrophobicContact CG-CD2 3.77Å; F399-Y416 AromaticContact CG-CE2 3.81Å; F399-Y416 HydrophobicContact CG-CE2 3.81Å; N412-Y416 PolarHBondContact O-N 3.01Å; L413-Y416 HydrophobicContact CD1-CD1 4.4Å; L413-Y416 WeakPolarHBondContact O-CB 3.38Å; L413-Y416 PolarHBondContact O-N 3.42Å; Y416-K418 VanDerWaalsContact C-N 3.32Å; Y416-K418 PolarHBondContact O-N 3.49Å; Y416-L419 PolarHBondContact O-N 3.05Å; Y416-K420 HydrophobicContact CD1-CG 4.48Å; Y416-K420 HydrophobicContact CD2-CG 4.39Å; Y416-K420 HydrophobicContact CE1-CG 4.04Å; Y416-K420 HydrophobicContact CE2-CD 4.38Å; Y416-K420 HydrophobicContact CE2-CG 3.96Å; Y416-K420 WeakPolarHBondContact O-CG 3.2Å; Y416-K420 PolarHBondContact O-N 3.48Å; Y416-K420 WeakPolarHBondContact OH-CE 3.46Å |
| 417 | W | 95.4 | Very high | 94.9 | Very high | 151 Ų | 151 | 74.4 Ų | 74.4 | 57% | 0.572 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66 | -35.6 | 178.3 | -72.6 | 116.5 | 0 | 0 | 0 | 112.7 | L413 A414 F415 K420 K421 | L413-W417 VanDerWaalsContact CD1-NE1 3.31Å; L413-W417 PolarHBondContact O-N 3.41Å; A414-W417 PolarHBondContact O-N 2.94Å; F415-W417 PolarHBondContact O-N 3.46Å; W417-K420 PolarHBondContact O-N 2.92Å; W417-K421 WeakPolarHBondContact O-CB 3.41Å; W417-K421 PolarHBondContact O-N 3.28Å |
| 418 | K | 95.1 | Very high | 94.8 | Very high | 134 Ų | 134 | 75.3 Ų | 75.3 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.6 | -47.9 | 173.7 | -173.7 | -178.9 | 177.8 | -176.3 | 0 | 111 | A414 F415 Y416 K420 K421 Q422 | A414-K418 PolarHBondContact O-N 3.09Å; F415-K418 WeakPolarHBondContact O-CB 3.3Å; F415-K418 PolarHBondContact O-N 3.24Å; Y416-K418 VanDerWaalsContact C-N 3.32Å; Y416-K418 PolarHBondContact O-N 3.49Å; K418-K420 PolarHBondContact O-N 3.47Å; K418-K421 PolarHBondContact O-N 2.98Å; K418-Q422 WeakPolarHBondContact O-CG 3.37Å; K418-Q422 PolarHBondContact O-N 2.92Å |
| 419 | L | 92.7 | Very high | 94.6 | Very high | 46 Ų | 46 | 75.6 Ų | 75.6 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 175.2 | -72.1 | 178.5 | 0 | 0 | 0 | 111.5 | F399 F415 Y416 K421 Q422 E423 | F399-L419 HydrophobicContact CE1-CD1 4.29Å; F399-L419 HydrophobicContact CZ-CD1 3.96Å; F415-L419 HydrophobicContact CD1-CD1 3.98Å; F415-L419 HydrophobicContact CE1-CD1 3.34Å; F415-L419 HydrophobicContact CE1-CG 4.14Å; F415-L419 HydrophobicContact CE2-CD1 4.27Å; F415-L419 HydrophobicContact CE2-CD2 4.45Å; F415-L419 HydrophobicContact CE2-CG 4.27Å; F415-L419 HydrophobicContact CZ-CD1 3.51Å; F415-L419 HydrophobicContact CZ-CD2 4.26Å; F415-L419 HydrophobicContact CZ-CG 3.99Å; F415-L419 PolarHBondContact O-N 2.95Å; Y416-L419 PolarHBondContact O-N 3.05Å; L419-K421 VanDerWaalsContact C-N 3.27Å; L419-K421 PolarHBondContact O-N 3.47Å; L419-Q422 PolarHBondContact O-N 3.32Å; L419-Q422 VanDerWaalsContact O-N 3.13Å; L419-E423 WeakPolarHBondContact O-CG 3.3Å; L419-E423 PolarHBondContact O-N 3.47Å |
| 420 | K | 91.8 | Very high | 94.4 | Very high | 33 Ų | 33 | 82.4 Ų | 82.4 | 14% | 0.143 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.6 | -34 | 178.1 | -75.1 | -73.2 | 162.8 | -141.7 | 0 | 113.2 | Y416 W417 K418 E423 K424 | Y416-K420 HydrophobicContact CD1-CG 4.48Å; Y416-K420 HydrophobicContact CD2-CG 4.39Å; Y416-K420 HydrophobicContact CE1-CG 4.04Å; Y416-K420 HydrophobicContact CE2-CD 4.38Å; Y416-K420 HydrophobicContact CE2-CG 3.96Å; Y416-K420 WeakPolarHBondContact O-CG 3.2Å; Y416-K420 PolarHBondContact O-N 3.48Å; Y416-K420 WeakPolarHBondContact OH-CE 3.46Å; W417-K420 PolarHBondContact O-N 2.92Å; K418-K420 PolarHBondContact O-N 3.47Å; K420-E423 IonicContact NZ-OE1 3.84Å; K420-E423 IonicContact NZ-OE2 3.87Å; K420-E423 PolarHBondContact NZ-OE2 3.31Å; K420-K424 WeakPolarHBondContact O-CG 3.43Å; K420-K424 PolarHBondContact O-N 2.92Å |
| 421 | K | 94.3 | Very high | 94.2 | Very high | 164 Ų | 164 | 83.7 Ų | 83.7 | 71% | 0.713 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -69.5 | -41.5 | 175.1 | -171.6 | 178.1 | 178.7 | -178.8 | 0 | 111.3 | W417 K418 L419 K424 A425 | W417-K421 WeakPolarHBondContact O-CB 3.41Å; W417-K421 PolarHBondContact O-N 3.28Å; K418-K421 PolarHBondContact O-N 2.98Å; L419-K421 VanDerWaalsContact C-N 3.27Å; L419-K421 PolarHBondContact O-N 3.47Å; K421-K424 PolarHBondContact O-N 3.46Å; K421-A425 PolarHBondContact O-N 2.88Å |
| 422 | Q | 93.4 | Very high | 94 | Very high | 91 Ų | 91 | 83.5 Ų | 83.5 | 43% | 0.425 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64 | -48 | 176.2 | -71 | 173 | -33.7 | 0 | 0 | 111.5 | K418 L419 K424 A425 E426 | K418-Q422 WeakPolarHBondContact O-CG 3.37Å; K418-Q422 PolarHBondContact O-N 2.92Å; L419-Q422 PolarHBondContact O-N 3.32Å; L419-Q422 VanDerWaalsContact O-N 3.13Å; Q422-K424 VanDerWaalsContact C-N 3.27Å; Q422-K424 PolarHBondContact O-N 3.42Å; Q422-A425 PolarHBondContact O-N 2.72Å; Q422-A425 VanDerWaalsContact O-N 3.08Å; Q422-E426 WeakPolarHBondContact O-CG 3.26Å; Q422-E426 PolarHBondContact O-N 2.99Å |
| 423 | E | 91.8 | Very high | 93.7 | Very high | 93 Ų | 93 | 88.2 Ų | 88.2 | 44% | 0.435 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.2 | -41.3 | 175.7 | -74.1 | 177.5 | 177.9 | 0 | 0 | 112.4 | L419 K420 K427 | L419-E423 WeakPolarHBondContact O-CG 3.3Å; L419-E423 PolarHBondContact O-N 3.47Å; K420-E423 IonicContact NZ-OE1 3.84Å; K420-E423 IonicContact NZ-OE2 3.87Å; K420-E423 PolarHBondContact NZ-OE2 3.31Å; E423-K427 WeakPolarHBondContact O-CB 3.31Å; E423-K427 PolarHBondContact O-N 2.74Å |
| 424 | K | 92.3 | Very high | 93.5 | Very high | 156 Ų | 156 | 92.7 Ų | 92.7 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.2 | -41.7 | 177.2 | -75.8 | 179.1 | -179.4 | -173.5 | 0 | 112.3 | K420 K421 Q422 K427 A428 | K420-K424 WeakPolarHBondContact O-CG 3.43Å; K420-K424 PolarHBondContact O-N 2.92Å; K421-K424 PolarHBondContact O-N 3.46Å; Q422-K424 VanDerWaalsContact C-N 3.27Å; Q422-K424 PolarHBondContact O-N 3.42Å; K424-K427 PolarHBondContact O-N 3.31Å; K424-A428 WeakPolarHBondContact O-CB 3.49Å; K424-A428 PolarHBondContact O-N 2.79Å |
| 425 | A | 93.8 | Very high | 93.3 | Very high | 61 Ų | 61 | 96.2 Ų | 96.2 | 50% | 0.504 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K421 Q422 A428 A429 | K421-A425 PolarHBondContact O-N 2.88Å; Q422-A425 PolarHBondContact O-N 2.72Å; Q422-A425 VanDerWaalsContact O-N 3.08Å; A425-A428 PolarHBondContact O-N 2.79Å; A425-A429 WeakPolarHBondContact O-CB 3.42Å; A425-A429 PolarHBondContact O-N 3.09Å |
| 426 | E | 93.7 | Very high | 93.1 | Very high | 121 Ų | 121 | 97.6 Ų | 97.6 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.1 | -40.7 | 175 | -72.1 | 174.3 | -167.4 | 0 | 0 | 112.2 | Q422 A429 K430 | Q422-E426 WeakPolarHBondContact O-CG 3.26Å; Q422-E426 PolarHBondContact O-N 2.99Å; E426-A429 PolarHBondContact O-N 2.9Å; E426-K430 WeakPolarHBondContact O-CG 3.32Å; E426-K430 PolarHBondContact O-N 2.96Å |
| 427 | K | 92.8 | Very high | 93 | Very high | 128 Ų | 128 | 100.7 Ų | 100.7 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 176 | -165.6 | 178.5 | -173.7 | -94.5 | 0 | 111.5 | E423 K424 A429 K430 E431 | E423-K427 WeakPolarHBondContact O-CB 3.31Å; E423-K427 PolarHBondContact O-N 2.74Å; K424-K427 PolarHBondContact O-N 3.31Å; K427-A429 VanDerWaalsContact C-N 3.33Å; K427-A429 PolarHBondContact O-N 2.98Å; K427-K430 PolarHBondContact O-N 2.85Å; K427-E431 WeakPolarHBondContact CE-OE1 3.47Å; K427-E431 IonicContact NZ-OE1 2.6Å; K427-E431 PolarHBondContact NZ-OE1 3.38Å; K427-E431 WeakPolarHBondContact O-CG 3.35Å; K427-E431 PolarHBondContact O-N 3.24Å |
| 428 | A | 93.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 96.5 Ų | 96.5 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K424 A425 K430 E431 S432 | K424-A428 WeakPolarHBondContact O-CB 3.49Å; K424-A428 PolarHBondContact O-N 2.79Å; A425-A428 PolarHBondContact O-N 2.79Å; A428-K430 PolarHBondContact O-N 3.31Å; A428-E431 PolarHBondContact O-N 3.3Å; A428-S432 PolarHBondContact O-N 2.96Å; A428-S432 PolarHBondContact O-OG 3.48Å; A428-S432 VanDerWaalsContact O-OG 3.12Å |
| 429 | A | 93.1 | Very high | 92.8 | Very high | 61 Ų | 61 | 95.7 Ų | 95.7 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A425 E426 K427 S432 Q433 | A425-A429 WeakPolarHBondContact O-CB 3.42Å; A425-A429 PolarHBondContact O-N 3.09Å; E426-A429 PolarHBondContact O-N 2.9Å; K427-A429 VanDerWaalsContact C-N 3.33Å; K427-A429 PolarHBondContact O-N 2.98Å; A429-S432 PolarHBondContact O-N 2.98Å; A429-Q433 WeakPolarHBondContact O-CB 3.37Å; A429-Q433 PolarHBondContact O-N 3.03Å |
| 430 | K | 93.3 | Very high | 92.8 | Very high | 143 Ų | 143 | 97.2 Ų | 97.2 | 62% | 0.622 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -45.1 | 174.4 | -76.1 | -178.7 | 179.5 | -177.6 | 0 | 112.1 | E426 K427 A428 S432 Q433 E434 | E426-K430 WeakPolarHBondContact O-CG 3.32Å; E426-K430 PolarHBondContact O-N 2.96Å; K427-K430 PolarHBondContact O-N 2.85Å; A428-K430 PolarHBondContact O-N 3.31Å; K430-S432 PolarHBondContact O-N 3.09Å; K430-Q433 PolarHBondContact O-N 3.4Å; K430-E434 WeakPolarHBondContact O-CB 3.24Å; K430-E434 WeakPolarHBondContact O-CG 3.34Å; K430-E434 PolarHBondContact O-N 2.95Å |
| 431 | E | 93.1 | Very high | 92.8 | Very high | 86 Ų | 86 | 98.7 Ų | 98.7 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 176.8 | -72.6 | 171.2 | -176 | 0 | 0 | 111.3 | K427 A428 E434 Q435 | K427-E431 WeakPolarHBondContact CE-OE1 3.47Å; K427-E431 IonicContact NZ-OE1 2.6Å; K427-E431 PolarHBondContact NZ-OE1 3.38Å; K427-E431 WeakPolarHBondContact O-CG 3.35Å; K427-E431 PolarHBondContact O-N 3.24Å; A428-E431 PolarHBondContact O-N 3.3Å; E431-E434 PolarHBondContact O-N 3.29Å; E431-Q435 WeakPolarHBondContact O-CB 3.36Å; E431-Q435 VanDerWaalsContact O-CG 3.28Å; E431-Q435 WeakPolarHBondContact O-CG 3.25Å; E431-Q435 PolarHBondContact O-N 3.3Å |
| 432 | S | 91.8 | Very high | 92.7 | Very high | 70 Ų | 70 | 95.5 Ų | 95.5 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 174.7 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | A428 A429 K430 Q435 L436 | A428-S432 PolarHBondContact O-N 2.96Å; A428-S432 PolarHBondContact O-OG 3.48Å; A428-S432 VanDerWaalsContact O-OG 3.12Å; A429-S432 PolarHBondContact O-N 2.98Å; K430-S432 PolarHBondContact O-N 3.09Å; S432-Q435 PolarHBondContact O-N 3.08Å; S432-L436 WeakPolarHBondContact O-CB 3.38Å; S432-L436 PolarHBondContact O-N 3.25Å |
| 433 | Q | 91.7 | Very high | 92.7 | Very high | 99 Ų | 99 | 95 Ų | 95 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68 | -40 | 176.2 | -172.3 | 64.7 | 47.4 | 0 | 0 | 111.9 | A429 K430 L436 N437 | A429-Q433 WeakPolarHBondContact O-CB 3.37Å; A429-Q433 PolarHBondContact O-N 3.03Å; K430-Q433 PolarHBondContact O-N 3.4Å; Q433-L436 PolarHBondContact O-N 3.21Å; Q433-N437 PolarHBondContact NE2-OD1 3.39Å; Q433-N437 WeakPolarHBondContact O-CB 3.21Å; Q433-N437 PolarHBondContact O-N 3.38Å; Q433-N437 PolarHBondContact O-OD1 3.1Å |
| 434 | E | 92.5 | Very high | 92.7 | Very high | 132 Ų | 132 | 95.6 Ų | 95.6 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 175.3 | -75.9 | 173.5 | -172.7 | 0 | 0 | 111.5 | K430 E431 N437 A438 | K430-E434 WeakPolarHBondContact O-CB 3.24Å; K430-E434 WeakPolarHBondContact O-CG 3.34Å; K430-E434 PolarHBondContact O-N 2.95Å; E431-E434 PolarHBondContact O-N 3.29Å; E434-N437 PolarHBondContact O-N 2.72Å; E434-A438 WeakPolarHBondContact O-CB 3.38Å; E434-A438 PolarHBondContact O-N 2.69Å |
| 435 | Q | 91.3 | Very high | 92.7 | Very high | 134 Ų | 134 | 94.4 Ų | 94.4 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -47.1 | 173.8 | -74.8 | 172.1 | -1.5 | 0 | 0 | 111.7 | E431 S432 N437 A438 E439 | E431-Q435 WeakPolarHBondContact O-CB 3.36Å; E431-Q435 VanDerWaalsContact O-CG 3.28Å; E431-Q435 WeakPolarHBondContact O-CG 3.25Å; E431-Q435 PolarHBondContact O-N 3.3Å; S432-Q435 PolarHBondContact O-N 3.08Å; Q435-N437 VanDerWaalsContact C-N 3.35Å; Q435-N437 PolarHBondContact O-N 3.39Å; Q435-A438 PolarHBondContact O-N 3.29Å; Q435-E439 WeakPolarHBondContact O-CB 3.3Å; Q435-E439 PolarHBondContact O-N 3.1Å |
| 436 | L | 93.1 | Very high | 92.5 | Very high | 85 Ų | 85 | 96.6 Ų | 96.6 | 45% | 0.445 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 177.3 | -176.6 | 67 | 0 | 0 | 0 | 111.6 | S432 Q433 A438 E439 I440 | S432-L436 WeakPolarHBondContact O-CB 3.38Å; S432-L436 PolarHBondContact O-N 3.25Å; Q433-L436 PolarHBondContact O-N 3.21Å; L436-A438 PolarHBondContact O-N 3.46Å; L436-E439 PolarHBondContact O-N 3.24Å; L436-I440 HydrophobicContact CG-CD1 4.11Å; L436-I440 VanDerWaalsContact O-CG1 3.28Å; L436-I440 WeakPolarHBondContact O-CG1 3.18Å; L436-I440 PolarHBondContact O-N 2.9Å |
| 437 | N | 92.8 | Very high | 92.3 | Very high | 78 Ų | 78 | 97.1 Ų | 97.1 | 42% | 0.417 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.4 | -70.1 | -6.4 | 0 | 0 | 0 | 111.7 | Q433 E434 Q435 E439 I440 T441 | Q433-N437 PolarHBondContact NE2-OD1 3.39Å; Q433-N437 WeakPolarHBondContact O-CB 3.21Å; Q433-N437 PolarHBondContact O-N 3.38Å; Q433-N437 PolarHBondContact O-OD1 3.1Å; E434-N437 PolarHBondContact O-N 2.72Å; Q435-N437 VanDerWaalsContact C-N 3.35Å; Q435-N437 PolarHBondContact O-N 3.39Å; N437-E439 VanDerWaalsContact C-N 3.34Å; N437-I440 PolarHBondContact O-N 2.87Å; N437-T441 PolarHBondContact O-N 3.47Å; N437-T441 PolarHBondContact O-OG1 3.43Å |
| 438 | A | 92.6 | Very high | 92.2 | Very high | 62 Ų | 62 | 95.9 Ų | 95.9 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E434 Q435 L436 T441 L442 | E434-A438 WeakPolarHBondContact O-CB 3.38Å; E434-A438 PolarHBondContact O-N 2.69Å; Q435-A438 PolarHBondContact O-N 3.29Å; L436-A438 PolarHBondContact O-N 3.46Å; A438-T441 PolarHBondContact O-N 3.32Å; A438-L442 WeakPolarHBondContact O-CB 3.36Å; A438-L442 PolarHBondContact O-N 3.21Å |
| 439 | E | 92.7 | Very high | 92 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.5 | -42.4 | 175.5 | -169.4 | 171.8 | -170.5 | 0 | 0 | 111.7 | Q435 L436 N437 L442 N443 | Q435-E439 WeakPolarHBondContact O-CB 3.3Å; Q435-E439 PolarHBondContact O-N 3.1Å; L436-E439 PolarHBondContact O-N 3.24Å; N437-E439 VanDerWaalsContact C-N 3.34Å; E439-L442 PolarHBondContact O-N 3.18Å; E439-N443 WeakPolarHBondContact O-CB 3.34Å; E439-N443 PolarHBondContact O-N 3.28Å |
| 440 | I | 93 | Very high | 91.7 | Very high | 77 Ų | 77 | 102.1 Ų | 102.1 | 40% | 0.395 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.9 | -49 | 173.5 | -68.4 | 165.1 | 0 | 0 | 0 | 110.7 | L436 N437 L442 N443 E444 | L436-I440 HydrophobicContact CG-CD1 4.11Å; L436-I440 VanDerWaalsContact O-CG1 3.28Å; L436-I440 WeakPolarHBondContact O-CG1 3.18Å; L436-I440 PolarHBondContact O-N 2.9Å; N437-I440 PolarHBondContact O-N 2.87Å; I440-L442 VanDerWaalsContact C-N 3.28Å; I440-L442 PolarHBondContact O-N 3.14Å; I440-N443 PolarHBondContact O-N 2.8Å; I440-E444 HydrophobicContact CG2-CG 4.44Å; I440-E444 WeakPolarHBondContact O-CG 3.26Å; I440-E444 PolarHBondContact O-N 3.39Å |
| 441 | T | 92.3 | Very high | 91.4 | Very high | 65 Ų | 65 | 100.3 Ų | 100.3 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 178.8 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | N437 A438 K445 | N437-T441 PolarHBondContact O-N 3.47Å; N437-T441 PolarHBondContact O-OG1 3.43Å; A438-T441 PolarHBondContact O-N 3.32Å; T441-K445 WeakPolarHBondContact O-CG 3.33Å; T441-K445 PolarHBondContact O-N 2.96Å; T441-K445 VanDerWaalsContact O-N 3.09Å |
| 442 | L | 92.5 | Very high | 91 | Very high | 97 Ų | 97 | 101.2 Ų | 101.2 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -47.5 | 175.3 | -175.1 | 69.7 | 0 | 0 | 0 | 110.8 | A438 E439 I440 E444 K445 E446 | A438-L442 WeakPolarHBondContact O-CB 3.36Å; A438-L442 PolarHBondContact O-N 3.21Å; E439-L442 PolarHBondContact O-N 3.18Å; I440-L442 VanDerWaalsContact C-N 3.28Å; I440-L442 PolarHBondContact O-N 3.14Å; L442-E444 VanDerWaalsContact C-N 3.35Å; L442-E444 PolarHBondContact O-N 3.02Å; L442-K445 WeakPolarHBondContact O-CB 3.37Å; L442-K445 PolarHBondContact O-N 3.12Å; L442-E446 PolarHBondContact O-N 3.01Å |
| 443 | N | 92.4 | Very high | 90.6 | Very high | 79 Ų | 79 | 103 Ų | 103 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 178.1 | -73.4 | -16.6 | 0 | 0 | 0 | 112 | E439 I440 E446 Q447 | E439-N443 WeakPolarHBondContact O-CB 3.34Å; E439-N443 PolarHBondContact O-N 3.28Å; I440-N443 PolarHBondContact O-N 2.8Å; N443-E446 PolarHBondContact O-N 2.9Å; N443-Q447 WeakPolarHBondContact O-CG 3.4Å; N443-Q447 PolarHBondContact O-N 2.76Å |
| 444 | E | 91.9 | Very high | 90.2 | Very high | 106 Ų | 106 | 106.1 Ų | 106.1 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.3 | -74.1 | 175.9 | 168.6 | 0 | 0 | 111.9 | I440 L442 Q447 L448 | I440-E444 HydrophobicContact CG2-CG 4.44Å; I440-E444 WeakPolarHBondContact O-CG 3.26Å; I440-E444 PolarHBondContact O-N 3.39Å; L442-E444 VanDerWaalsContact C-N 3.35Å; L442-E444 PolarHBondContact O-N 3.02Å; E444-Q447 PolarHBondContact O-N 2.99Å; E444-L448 WeakPolarHBondContact O-CG 3.27Å; E444-L448 PolarHBondContact O-N 3.48Å |
| 445 | K | 91.6 | Very high | 89.6 | Confident | 132 Ų | 132 | 105.2 Ų | 105.2 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -38.4 | 175.7 | -78 | -179.1 | 178.6 | -179.2 | 0 | 112.7 | T441 L442 K449 | T441-K445 WeakPolarHBondContact O-CG 3.33Å; T441-K445 PolarHBondContact O-N 2.96Å; T441-K445 VanDerWaalsContact O-N 3.09Å; L442-K445 WeakPolarHBondContact O-CB 3.37Å; L442-K445 PolarHBondContact O-N 3.12Å; K445-K449 WeakPolarHBondContact O-CG 3.44Å; K445-K449 PolarHBondContact O-N 3.34Å |
| 446 | E | 90.8 | Very high | 88.9 | Confident | 107 Ų | 107 | 104.9 Ų | 104.9 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 175.5 | -74.1 | -169.8 | 168.3 | 0 | 0 | 111.7 | L442 N443 K449 L450 | L442-E446 PolarHBondContact O-N 3.01Å; N443-E446 PolarHBondContact O-N 2.9Å; E446-K449 PolarHBondContact O-N 3.04Å; E446-L450 WeakPolarHBondContact O-CG 3.21Å; E446-L450 PolarHBondContact O-N 3.46Å |
| 447 | Q | 89.6 | Confident | 88 | Confident | 132 Ų | 132 | 107.1 Ų | 107.1 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -46.6 | 174 | -77.4 | -173.6 | -12.8 | 0 | 0 | 112.1 | N443 E444 K449 L450 E451 | N443-Q447 WeakPolarHBondContact O-CG 3.4Å; N443-Q447 PolarHBondContact O-N 2.76Å; E444-Q447 PolarHBondContact O-N 2.99Å; Q447-K449 VanDerWaalsContact C-N 3.32Å; Q447-K449 PolarHBondContact O-N 3.03Å; Q447-L450 PolarHBondContact O-N 3.48Å; Q447-E451 PolarHBondContact O-N 2.99Å |
| 448 | L | 89.9 | Confident | 86.7 | Confident | 101 Ų | 101 | 105.7 Ų | 105.7 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 176.8 | -75.5 | 168.7 | 0 | 0 | 0 | 112.4 | E444 E451 L452 | E444-L448 WeakPolarHBondContact O-CG 3.27Å; E444-L448 PolarHBondContact O-N 3.48Å; L448-E451 PolarHBondContact O-N 2.94Å; L448-L452 WeakPolarHBondContact O-CB 3.23Å; L448-L452 WeakPolarHBondContact O-CG 3.46Å; L448-L452 PolarHBondContact O-N 2.9Å |
| 449 | K | 89.7 | Confident | 85.2 | Confident | 146 Ų | 146 | 111.4 Ų | 111.4 | 64% | 0.635 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 174 | -82.9 | -177.4 | 176.5 | -178.3 | 0 | 112.2 | K445 E446 Q447 E451 L452 Q453 | K445-K449 WeakPolarHBondContact O-CG 3.44Å; K445-K449 PolarHBondContact O-N 3.34Å; E446-K449 PolarHBondContact O-N 3.04Å; Q447-K449 VanDerWaalsContact C-N 3.32Å; Q447-K449 PolarHBondContact O-N 3.03Å; K449-E451 VanDerWaalsContact C-N 3.33Å; K449-L452 PolarHBondContact O-N 3.11Å; K449-Q453 PolarHBondContact O-N 3.28Å |
| 450 | L | 88.1 | Confident | 83.4 | Confident | 96 Ų | 96 | 112 Ų | 112 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -33.9 | 178 | -72 | 168.4 | 0 | 0 | 0 | 112.2 | E446 Q447 R454 | E446-L450 WeakPolarHBondContact O-CG 3.21Å; E446-L450 PolarHBondContact O-N 3.46Å; Q447-L450 PolarHBondContact O-N 3.48Å; L450-R454 PolarHBondContact O-N 3.4Å; L450-R454 VanDerWaalsContact O-N 3.15Å |
| 451 | E | 86.3 | Confident | 81.5 | Confident | 104 Ų | 104 | 110.2 Ų | 110.2 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.7 | -44.8 | 172.4 | -76.2 | -172.3 | 165.1 | 0 | 0 | 112.2 | Q447 L448 K449 Q453 R454 I455 | Q447-E451 PolarHBondContact O-N 2.99Å; L448-E451 PolarHBondContact O-N 2.94Å; K449-E451 VanDerWaalsContact C-N 3.33Å; E451-Q453 VanDerWaalsContact C-N 3.35Å; E451-Q453 PolarHBondContact O-N 3.08Å; E451-R454 PolarHBondContact O-N 2.86Å; E451-I455 WeakPolarHBondContact O-CG1 3.49Å; E451-I455 PolarHBondContact O-N 3.4Å |
| 452 | L | 85.4 | Confident | 79.5 | Confident | 105 Ų | 105 | 110.3 Ų | 110.3 | 55% | 0.55 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 174.9 | -83.3 | 159.8 | 0 | 0 | 0 | 112 | L448 K449 R454 I455 E456 | L448-L452 WeakPolarHBondContact O-CB 3.23Å; L448-L452 WeakPolarHBondContact O-CG 3.46Å; L448-L452 PolarHBondContact O-N 2.9Å; K449-L452 PolarHBondContact O-N 3.11Å; L452-R454 PolarHBondContact O-N 3.48Å; L452-I455 PolarHBondContact O-N 2.8Å; L452-E456 PolarHBondContact O-N 3.27Å |
| 453 | Q | 82.7 | Confident | 77.5 | Confident | 108 Ų | 108 | 111.9 Ų | 111.9 | 51% | 0.505 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 174.8 | -81.8 | -177.5 | -28.9 | 0 | 0 | 112.2 | K449 E451 I455 E456 E457 | K449-Q453 PolarHBondContact O-N 3.28Å; E451-Q453 VanDerWaalsContact C-N 3.35Å; E451-Q453 PolarHBondContact O-N 3.08Å; Q453-I455 VanDerWaalsContact C-N 3.3Å; Q453-I455 PolarHBondContact O-N 2.88Å; Q453-E456 PolarHBondContact O-N 3.41Å; Q453-E457 WeakPolarHBondContact O-CB 3.19Å; Q453-E457 WeakPolarHBondContact O-CG 3.39Å; Q453-E457 PolarHBondContact O-N 3.42Å |
| 454 | R | 82.4 | Confident | 75.3 | Confident | 165 Ų | 165 | 114.1 Ų | 114.1 | 62% | 0.623 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.4 | -36.5 | 175.6 | -88.8 | -171.4 | -80.9 | 171.1 | -4.2 | 112.8 | L450 E451 L452 G458 | L450-R454 PolarHBondContact O-N 3.4Å; L450-R454 VanDerWaalsContact O-N 3.15Å; E451-R454 PolarHBondContact O-N 2.86Å; L452-R454 PolarHBondContact O-N 3.48Å; R454-G458 PolarHBondContact O-N 3.12Å |
| 455 | I | 80.9 | Confident | 73 | Confident | 113 Ų | 113 | 115.1 Ų | 115.1 | 58% | 0.579 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.7 | -43.1 | 175.8 | -68.2 | 167 | 0 | 0 | 0 | 110.5 | E451 L452 Q453 G458 R459 | E451-I455 WeakPolarHBondContact O-CG1 3.49Å; E451-I455 PolarHBondContact O-N 3.4Å; L452-I455 PolarHBondContact O-N 2.8Å; Q453-I455 VanDerWaalsContact C-N 3.3Å; Q453-I455 PolarHBondContact O-N 2.88Å; I455-G458 PolarHBondContact O-N 3.42Å; I455-R459 WeakPolarHBondContact O-CB 3.23Å; I455-R459 PolarHBondContact O-N 3.49Å |
| 456 | E | 76.2 | Confident | 70.7 | Confident | 127 Ų | 127 | 114 Ų | 114 | 59% | 0.593 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.5 | -43.9 | 175.7 | -80.9 | 179.1 | 158 | 0 | 0 | 112.4 | L452 Q453 G458 R459 Q460 | L452-E456 PolarHBondContact O-N 3.27Å; Q453-E456 PolarHBondContact O-N 3.41Å; E456-G458 PolarHBondContact O-N 2.89Å; E456-R459 PolarHBondContact O-N 2.95Å; E456-R459 VanDerWaalsContact O-N 3.16Å; E456-Q460 PolarHBondContact O-N 2.87Å |
| 457 | E | 73.9 | Confident | 68.3 | Low | 132 Ų | 132 | 114 Ų | 114 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63 | -40.8 | 175 | -73.2 | 178.1 | 173 | 0 | 0 | 111.8 | Q453 R459 Q460 G461 | Q453-E457 WeakPolarHBondContact O-CB 3.19Å; Q453-E457 WeakPolarHBondContact O-CG 3.39Å; Q453-E457 PolarHBondContact O-N 3.42Å; E457-R459 VanDerWaalsContact C-N 3.29Å; E457-R459 PolarHBondContact O-N 3.45Å; E457-Q460 PolarHBondContact O-N 3.41Å; E457-G461 PolarHBondContact O-N 2.91Å |
| 458 | G | 66.4 | Low | 66.1 | Low | 48 Ų | 48 | 114.8 Ų | 114.8 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.7 | -33.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R454 I455 E456 S462 | R454-G458 PolarHBondContact O-N 3.12Å; I455-G458 PolarHBondContact O-N 3.42Å; E456-G458 PolarHBondContact O-N 2.89Å; G458-S462 PolarHBondContact O-N 3.05Å |
| 459 | R | 60.1 | Low | 63.9 | Low | 181 Ų | 181 | 115.1 Ų | 115.1 | 68% | 0.683 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.9 | -39.9 | 177.9 | -155.2 | 171.9 | 179.4 | 166.4 | -0 | 111.9 | I455 E456 E457 S462 E463 | I455-R459 WeakPolarHBondContact O-CB 3.23Å; I455-R459 PolarHBondContact O-N 3.49Å; E456-R459 PolarHBondContact O-N 2.95Å; E456-R459 VanDerWaalsContact O-N 3.16Å; E457-R459 VanDerWaalsContact C-N 3.29Å; E457-R459 PolarHBondContact O-N 3.45Å; R459-S462 WeakPolarHBondContact O-CB 3.46Å; R459-S462 PolarHBondContact O-N 2.84Å; R459-E463 PolarHBondContact O-N 3.21Å |
| 460 | Q | 54.6 | Low | 61.4 | Low | 131 Ų | 131 | 116.7 Ų | 116.7 | 61% | 0.612 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.4 | -34.1 | 171.9 | -73.1 | -174.9 | -1.7 | 0 | 0 | 112.8 | E456 E457 S462 E463 N464 | E456-Q460 PolarHBondContact O-N 2.87Å; E457-Q460 PolarHBondContact O-N 3.41Å; Q460-S462 VanDerWaalsContact C-N 3.31Å; Q460-E463 PolarHBondContact O-N 3.1Å; Q460-N464 PolarHBondContact O-N 3.19Å |
| 461 | G | 54.6 | Low | 59 | Low | 40 Ų | 40 | 121.2 Ų | 121.2 | 41% | 0.412 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.2 | -32.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E457 N465 | E457-G461 PolarHBondContact O-N 2.91Å; G461-N465 PolarHBondContact O-N 2.94Å |
| 462 | S | 49.8 | Very low | 56.8 | Low | 67 Ų | 67 | 122.3 Ų | 122.3 | 47% | 0.469 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.5 | -35.8 | 174.5 | -165 | 0 | 0 | 0 | 0 | 112.7 | G458 R459 Q460 N465 N466 | G458-S462 PolarHBondContact O-N 3.05Å; R459-S462 WeakPolarHBondContact O-CB 3.46Å; R459-S462 PolarHBondContact O-N 2.84Å; Q460-S462 VanDerWaalsContact C-N 3.31Å; S462-N465 PolarHBondContact O-N 3.13Å; S462-N466 PolarHBondContact O-N 2.96Å; S462-N466 VanDerWaalsContact O-N 3.09Å |
| 463 | E | 49.5 | Very low | 54.3 | Low | 129 Ų | 129 | 125 Ų | 125 | 60% | 0.603 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.5 | -32.6 | 174.5 | -78.4 | -179.7 | 167.8 | 0 | 0 | 113 | R459 Q460 N465 N466 T467 | R459-E463 PolarHBondContact O-N 3.21Å; Q460-E463 PolarHBondContact O-N 3.1Å; E463-N465 VanDerWaalsContact C-N 3.33Å; E463-N466 PolarHBondContact O-N 3.1Å; E463-T467 PolarHBondContact O-N 3.44Å; E463-T467 PolarHBondContact O-OG1 2.86Å; E463-T467 VanDerWaalsContact O-OG1 3.12Å |
| 464 | N | 46 | Very low | 52.3 | Low | 127 Ų | 127 | 131.6 Ų | 131.6 | 68% | 0.679 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.5 | -17.6 | 172.4 | -88.9 | -13.8 | 0 | 0 | 0 | 114.1 | Q460 T467 | Q460-N464 PolarHBondContact O-N 3.19Å; N464-T467 PolarHBondContact O-OG1 3.19Å |
| 465 | N | 44.6 | Very low | 50.1 | Low | 126 Ų | 126 | 127.2 Ų | 127.2 | 67% | 0.674 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -88.8 | -24.7 | 171.1 | -96.4 | -9.4 | 0 | 0 | 0 | 112.7 | G461 S462 E463 T467 | G461-N465 PolarHBondContact O-N 2.94Å; S462-N465 PolarHBondContact O-N 3.13Å; E463-N465 VanDerWaalsContact C-N 3.33Å; N465-T467 VanDerWaalsContact C-N 3.32Å |
| 466 | N | 42.7 | Very low | 48 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -2.4 | 175.5 | -91.1 | 11.5 | 0 | 0 | 0 | 114.4 | S462 E463 N468 | S462-N466 PolarHBondContact O-N 2.96Å; S462-N466 VanDerWaalsContact O-N 3.09Å; E463-N466 PolarHBondContact O-N 3.1Å; N466-N468 VanDerWaalsContact C-N 3.29Å |
| 467 | T | 41.8 | Very low | 46 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 66% | 0.656 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 0.3 | 171.9 | 13.7 | 0 | 0 | 0 | 0 | 113.9 | E463 N464 N465 | E463-T467 PolarHBondContact O-N 3.44Å; E463-T467 PolarHBondContact O-OG1 2.86Å; E463-T467 VanDerWaalsContact O-OG1 3.12Å; N464-T467 PolarHBondContact O-OG1 3.19Å; N465-T467 VanDerWaalsContact C-N 3.32Å |
| 468 | N | 41.8 | Very low | 44.4 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -115.2 | -0.2 | 175.9 | -87.9 | -27.7 | 0 | 0 | 0 | 115.2 | N466 | N466-N468 VanDerWaalsContact C-N 3.29Š|
| 469 | V | 44.3 | Very low | 43 | Very low | 107 Ų | 107 | 131 Ų | 131 | 65% | 0.648 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -146.3 | 84 | 177.1 | -172 | 0 | 0 | 0 | 0 | 108.9 | ||
| 470 | E | 37.3 | Very low | 42 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | trans | 172.5 | 62.9 | 149.3 | -96.5 | 170 | -172.6 | 0 | 0 | 111.4 | ||||
| 471 | E | 38 | Very low | 41.1 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 90% | 0.897 | 73% | 0.725 | S | S | * | * | trans | -100.1 | 83.7 | 146.1 | -100 | -166.7 | 165.8 | 0 | 0 | 107.1 | ||||
| 472 | T | 38.7 | Very low | 40.6 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 160.4 | 94.6 | 148.3 | 31.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 473 | N | 34.1 | Very low | 39.9 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | 178.1 | 143.4 | 107.6 | -109.3 | -31.9 | 0 | 0 | 0 | 111.9 | |||||
| 474 | R | 39.5 | Very low | 39.4 | Very low | 246 Ų | 246 | 138.4 Ų | 138.4 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | trans | -75.4 | 151 | 173.2 | -100.6 | 171.5 | 166 | 176.3 | -3.9 | 111.3 | ||||
| 475 | G | 36.3 | Very low | 39.3 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 113.7 | 125.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 476 | D | 36.9 | Very low | 39.2 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | cis | -171.1 | 165.9 | 47.2 | -158 | 18.3 | 0 | 0 | 0 | 112.2 | ||||
| 477 | N | 36 | Very low | 39.4 | Very low | 127 Ų | 127 | 150 Ų | 150 | 68% | 0.679 | 81% | 0.813 | S | S | * | * | trans | 20.9 | 129.4 | 146.7 | -74.8 | -39.1 | 0 | 0 | 0 | 122.8 | ||||
| 478 | S | 40.1 | Very low | 39.2 | Very low | 98 Ų | 98 | 152.2 Ų | 152.2 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | trans | -20.1 | 140.3 | 142.6 | 44.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 479 | T | 36.3 | Very low | 39.1 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | -175.8 | 138.7 | 108.5 | -53.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 480 | E | 39.2 | Very low | 38.8 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | trans | -58.3 | 147.4 | 170.6 | -71.7 | 168.7 | 118 | 0 | 0 | 113.7 | ||||
| 481 | L | 35.8 | Very low | 38.9 | Very low | 173 Ų | 173 | 153.5 Ų | 153.5 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | trans | -161.9 | 129.9 | 133.5 | -117.2 | 132.1 | 0 | 0 | 0 | 112.8 | ||||
| 482 | V | 43.8 | Very low | 39 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 70% | 0.703 | 83% | 0.828 | S | S | * | * | trans | -84.7 | 143.4 | -177.9 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 483 | L | 35.8 | Very low | 39 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | trans | -175.4 | 109.1 | 141.7 | -120.4 | 92.5 | 0 | 0 | 0 | 107.8 | ||||
| 484 | A | 39.3 | Very low | 39.3 | Very low | 78 Ų | 78 | 152.1 Ų | 152.1 | 65% | 0.645 | 83% | 0.829 | S | S | * | * | 95 | 108.5 | 79.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 485 | D | 43.4 | Very low | 39.3 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -58.1 | 144.3 | 170.2 | -66.8 | -51 | 0 | 0 | 0 | 112.4 | ||||
| 486 | Y | 41.4 | Very low | 39.5 | Very low | 232 Ų | 232 | 150.9 Ų | 150.9 | 91% | 0.91 | 83% | 0.828 | S | S | * | * | trans | -134.7 | 134 | 156.5 | -100.8 | -87.7 | 0 | 0 | 0 | 110.8 | ||||
| 487 | V | 46.6 | Very low | 39.8 | Very low | 213 Ų | 213 | 151.9 Ų | 151.9 | 100% | 1.291 | 84% | 0.835 | S | S | * | * | trans | -54.6 | 0 | 174.1 | 172.8 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 487 of 487 residues in 205.9 ms
(Link to these results)