| 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 | 40 | Very low | 41.8 | Very low | 253 Ų | 253 | 159.8 Ų | 159.8 | 100% | 1.246 | 87% | 0.868 | S | S | * | * | 0 | 115.2 | 0 | -78.1 | 168.7 | -153.4 | 0 | 0 | 105.6 | |||||
| 2 | E | 40.8 | Very low | 41.6 | Very low | 194 Ų | 194 | 161.3 Ų | 161.3 | 91% | 0.907 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 139.2 | -161.7 | -164.2 | 168.2 | -170.4 | 0 | 0 | 108.8 | ||
| 3 | A | 40.7 | Very low | 41.9 | Very low | 92 Ų | 92 | 163 Ų | 163 | 76% | 0.76 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 137.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 4 | P | 49.4 | Very low | 41.7 | Very low | 121 Ų | 121 | 160.8 Ų | 160.8 | 79% | 0.786 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 125.9 | 168.6 | -3.1 | 22.2 | 0 | 0 | 0 | 111.4 | ||
| 5 | L | 45.5 | Very low | 41.5 | Very low | 170 Ų | 170 | 159.5 Ų | 159.5 | 89% | 0.89 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -57 | 139.7 | 162.5 | -63 | 157.1 | 0 | 0 | 0 | 110.1 | ||
| 6 | V | 37.4 | Very low | 41.3 | Very low | 142 Ų | 142 | 163.6 Ų | 163.6 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | trans | -129.1 | 134.3 | 167.4 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | C | 37.2 | Very low | 41.4 | Very low | 106 Ų | 106 | 160.1 Ų | 160.1 | 72% | 0.716 | 83% | 0.833 | S | S | * | * | trans | -74.5 | 154.6 | -163.7 | -56.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 8 | L | 38.9 | Very low | 40.5 | Very low | 163 Ų | 163 | 158.1 Ų | 158.1 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -78.2 | 119.4 | 159.8 | -64.2 | 167.3 | 0 | 0 | 0 | 107.7 | ||||
| 9 | D | 43.5 | Very low | 40.1 | Very low | 160 Ų | 160 | 161.6 Ų | 161.6 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -105.9 | 106.4 | 160.2 | -74.8 | -32.8 | 0 | 0 | 0 | 107.4 | ||||
| 10 | E | 44.3 | Very low | 39.7 | Very low | 176 Ų | 176 | 162.8 Ų | 162.8 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | trans | -75.1 | 113.3 | 166.6 | -65.4 | 173.1 | 135.4 | 0 | 0 | 108.2 | ||||
| 11 | E | 42.1 | Very low | 39.3 | Very low | 181 Ų | 181 | 161.5 Ų | 161.5 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -114.5 | 102.6 | 161.9 | -116.7 | 175.7 | -178 | 0 | 0 | 109.4 | ||||
| 12 | F | 38.8 | Very low | 38.9 | Very low | 178 Ų | 178 | 157.2 Ų | 157.2 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | trans | -77.1 | 119.1 | 165.8 | -109.8 | -103.9 | 0 | 0 | 0 | 108.2 | ||||
| 13 | E | 45.8 | Very low | 38.3 | Very low | 183 Ų | 183 | 154.9 Ų | 154.9 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -108.9 | 99 | 164.4 | -85.4 | 174.6 | 148 | 0 | 0 | 110.7 | ||||
| 14 | D | 39.8 | Very low | 37.7 | Very low | 132 Ų | 132 | 156.5 Ų | 156.5 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -73.1 | 117.5 | 173.9 | -104.1 | -28.5 | 0 | 0 | 0 | 112 | ||||
| 15 | L | 38.3 | Very low | 36.7 | Very low | 141 Ų | 141 | 160.3 Ų | 160.3 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | 44.7 | 105 | 127.9 | -74.8 | 173.1 | 0 | 0 | 0 | 121.7 | |||||
| 16 | R | 38 | Very low | 35.9 | Very low | 225 Ų | 225 | 157.1 Ų | 157.1 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | trans | 90.4 | 174.4 | 134 | -50.3 | -153.3 | -60.8 | 172.1 | -3.7 | 119.2 | ||||
| 17 | P | 42.5 | Very low | 35.8 | Very low | 105 Ų | 105 | 154.5 Ų | 154.5 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | -133.2 | 145.7 | -68.7 | 35.9 | -20 | 0 | 0 | 0 | 113.2 | |||||
| 18 | C | 26.6 | Very low | 35.6 | Very low | 124 Ų | 124 | 160.5 Ų | 160.5 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -151.6 | 112.6 | 171.4 | -98.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 19 | R | 32.2 | Very low | 35.1 | Very low | 224 Ų | 224 | 157.3 Ų | 157.3 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | 46.1 | 123.6 | 133.9 | -53.5 | -160.5 | 176 | -109.6 | -2.8 | 120.9 | ||||
| 20 | M | 31.7 | Very low | 34.6 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -102.3 | 125.2 | 156.6 | -90.3 | -92.2 | 120.4 | 0 | 0 | 108.4 | ||||
| 21 | D | 31.2 | Very low | 34 | Very low | 135 Ų | 135 | 153 Ų | 153 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -137.7 | 135.1 | 158.9 | -92.5 | -49.5 | 0 | 0 | 0 | 108.9 | ||||
| 22 | E | 32.3 | Very low | 33.4 | Very low | 164 Ų | 164 | 151 Ų | 151 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | 5.5 | 134.9 | 168.1 | -70.4 | 171.6 | 77.2 | 0 | 0 | 121.7 | ||||
| 23 | Q | 27.9 | Very low | 33.1 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 67% | 0.673 | 77% | 0.774 | S | S | * | * | -178.9 | 132.1 | 104 | -156.2 | 71.4 | 48 | 0 | 0 | 113.6 | |||||
| 24 | D | 28.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 145 Ų | 145 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | -3.1 | 141 | 161.9 | -60.9 | -46.4 | 0 | 0 | 0 | 123.3 | ||||
| 25 | H | 27.9 | Very low | 31.7 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 93% | 0.926 | 77% | 0.769 | S | S | * | * | trans | -129.5 | 123.8 | 146.2 | -78.7 | -57 | 0 | 0 | 0 | 113 | ||||
| 26 | S | 29.6 | Very low | 31.3 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -86.5 | 133.8 | 169.3 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 27 | S | 33.8 | Very low | 31.1 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | trans | 18.8 | 128.3 | 143.8 | -30.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 28 | Y | 32.8 | Very low | 30.8 | Very low | 232 Ų | 232 | 141.6 Ų | 141.6 | 91% | 0.91 | 78% | 0.777 | S | S | * | * | 172.6 | 149.3 | 103.5 | -89.2 | -70.5 | 0 | 0 | 0 | 112.8 | |||||
| 29 | S | 30.3 | Very low | 31.1 | Very low | 96 Ų | 96 | 144 Ų | 144 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -73.4 | 151.3 | -170.1 | 176.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 30 | S | 31.1 | Very low | 31.4 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 88% | 0.881 | 78% | 0.777 | S | S | * | * | trans | -161.4 | 137.1 | 138.5 | -80.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 31 | V | 31.9 | Very low | 31.5 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -97.2 | 141.6 | -172.2 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 32 | T | 30.7 | Very low | 32 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -148 | 130.7 | 150 | -41.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 33 | T | 32.1 | Very low | 32.2 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | -71.3 | 154 | -179.1 | 48.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 34 | T | 27.3 | Very low | 33.2 | Very low | 123 Ų | 123 | 136 Ų | 136 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | -179.3 | 148.3 | 71.4 | -36.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 35 | T | 29.3 | Very low | 33.8 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 88.1 | 80.5 | 151.8 | -40.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 36 | T | 29.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | 32.4 | 111.8 | 127.8 | 61.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 37 | I | 34.2 | Very low | 35 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | -145.5 | 129 | 122.6 | -56.1 | -176 | 0 | 0 | 0 | 106.8 | |||||
| 38 | P | 36.5 | Very low | 35.7 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -88 | 120.1 | -178.8 | 32.1 | -27.4 | 0 | 0 | 0 | 111.3 | ||
| 39 | L | 32.8 | Very low | 36.7 | Very low | 175 Ų | 175 | 133 Ų | 133 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 126.3 | 161.2 | -168 | 63.9 | 0 | 0 | 0 | 108.1 | ||
| 40 | A | 37.2 | Very low | 37.5 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 136.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I42 | A40-I42 PolarHBondContact O-N 3.46Š|
| 41 | S | 35.3 | Very low | 38.5 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 118.6 | 169.1 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | T43 | S41-T43 PolarHBondContact O-N 3.4Š|
| 42 | I | 40.1 | Very low | 39.4 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 119.6 | 165.2 | -65.5 | 168.8 | 0 | 0 | 0 | 107.5 | A40 | A40-I42 PolarHBondContact O-N 3.46Š|
| 43 | T | 38 | Very low | 40.1 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 54% | 0.54 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -78.6 | 151.5 | 178.5 | 44.9 | 0 | 0 | 0 | 0 | 111.6 | S41 E45 | S41-T43 PolarHBondContact O-N 3.4Å; T43-E45 VanDerWaalsContact C-N 3.28Å; T43-E45 WeakPolarHBondContact CB-OE2 3.47Å; T43-E45 PolarHBondContact O-N 3.48Å; T43-E45 PolarHBondContact OG1-OE2 2.99Å |
| 44 | R | 47.3 | Very low | 40.8 | Very low | 237 Ų | 237 | 135.4 Ų | 135.4 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 63.1 | -171.2 | -169.2 | -169.3 | 175.1 | -173 | -1.7 | 111.3 | ||
| 45 | E | 42.7 | Very low | 41.7 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -12.3 | 174 | -74.5 | 125.5 | 176.1 | 0 | 0 | 113.3 | T43 F47 | T43-E45 VanDerWaalsContact C-N 3.28Å; T43-E45 WeakPolarHBondContact CB-OE2 3.47Å; T43-E45 PolarHBondContact O-N 3.48Å; T43-E45 PolarHBondContact OG1-OE2 2.99Å; E45-F47 VanDerWaalsContact C-N 3.29Å; E45-F47 PolarHBondContact O-N 2.95Å |
| 46 | D | 41.2 | Very low | 42.6 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 2.4 | -174 | -117.5 | 12 | 0 | 0 | 0 | 115.8 | ||
| 47 | F | 41.3 | Very low | 43.7 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -2.8 | -178 | -77.3 | -84.6 | 0 | 0 | 0 | 114.1 | E45 | E45-F47 VanDerWaalsContact C-N 3.29Å; E45-F47 PolarHBondContact O-N 2.95Å |
| 48 | S | 49 | Very low | 44.8 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -83 | -15.7 | -178.2 | -61 | 0 | 0 | 0 | 0 | 114.3 | ||
| 49 | E | 53.2 | Low | 45.6 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -81.3 | -21.3 | -179.5 | -66.4 | -170.3 | 164.7 | 0 | 0 | 113.5 | ||
| 50 | L | 46.2 | Very low | 47 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -80.7 | -20.9 | -176.4 | -156.7 | 65.9 | 0 | 0 | 0 | 113.1 | ||
| 51 | E | 52.4 | Low | 48.7 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -74.2 | -31.1 | 176.4 | -136.6 | 117.6 | -151.6 | 0 | 0 | 111.5 | F53 S54 E55 | E51-F53 VanDerWaalsContact C-N 3.33Å; E51-F53 PolarHBondContact O-N 2.5Å; E51-S54 PolarHBondContact O-N 3.11Å; E51-E55 PolarHBondContact O-N 3.13Å |
| 52 | N | 51 | Low | 50.8 | Low | 115 Ų | 115 | 139.5 Ų | 139.5 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.7 | -25.4 | 179.7 | -161.3 | 50.5 | 0 | 0 | 0 | 112.9 | ||
| 53 | F | 44.5 | Very low | 52.7 | Low | 152 Ų | 152 | 137.3 Ų | 137.3 | 67% | 0.667 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75 | -27.6 | 174.4 | -96.2 | -86.9 | 0 | 0 | 0 | 113 | E51 | E51-F53 VanDerWaalsContact C-N 3.33Å; E51-F53 PolarHBondContact O-N 2.5Å |
| 54 | S | 48.5 | Very low | 54.9 | Low | 91 Ų | 91 | 137.1 Ų | 137.1 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81.2 | -21.3 | 179.1 | -152 | 0 | 0 | 0 | 0 | 112.7 | E51 | E51-S54 PolarHBondContact O-N 3.11Å |
| 55 | E | 45.3 | Very low | 56.7 | Low | 148 Ų | 148 | 130.4 Ų | 130.4 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -81.1 | -31.9 | 177.4 | -163.8 | 160.4 | -163.6 | 0 | 0 | 112.4 | E51 M57 S58 | E51-E55 PolarHBondContact O-N 3.13Å; E55-M57 VanDerWaalsContact C-N 3.32Å; E55-M57 PolarHBondContact O-N 3.4Å; E55-S58 PolarHBondContact O-N 3.35Å |
| 56 | M | 47.8 | Very low | 58.7 | Low | 177 Ų | 177 | 127.9 Ų | 127.9 | 87% | 0.872 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -18.4 | 178.7 | -155.9 | 85.2 | 133.1 | 0 | 0 | 114.2 | ||
| 57 | M | 53.2 | Low | 60.7 | Low | 173 Ų | 173 | 125.3 Ų | 125.3 | 85% | 0.852 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 4.8 | 176.7 | -72.2 | -148.5 | -151.7 | 0 | 0 | 113.8 | E55 | E55-M57 VanDerWaalsContact C-N 3.32Å; E55-M57 PolarHBondContact O-N 3.4Å |
| 58 | S | 57 | Low | 62.7 | Low | 67 Ų | 67 | 120.8 Ų | 120.8 | 47% | 0.469 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -115.7 | 115.9 | -178.6 | -159.9 | 0 | 0 | 0 | 0 | 110.4 | E55 | E55-S58 PolarHBondContact O-N 3.35Š|
| 59 | F | 53.9 | Low | 64.3 | Low | 199 Ų | 199 | 122.4 Ų | 122.4 | 87% | 0.873 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 84.2 | 64.4 | 174.2 | -52.9 | -79.5 | 0 | 0 | 0 | 118.8 | ||
| 60 | K | 61.9 | Low | 65.7 | Low | 124 Ų | 124 | 119.5 Ų | 119.5 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | trans | -155.2 | 126 | 136.6 | -114.4 | 173.6 | 178.3 | 179.3 | 0 | 108.7 | D64 L65 E68 | K60-D64 HydrophobicContact CG-CB 4Å; K60-L65 HydrophobicContact CB-CD1 4.31Å; K60-E68 IonicContact NZ-OE2 3.75Å; K60-E68 PolarHBondContact NZ-OE2 3.13Å | ||
| 61 | S | 72.9 | Confident | 67.4 | Low | 72 Ų | 72 | 119.9 Ų | 119.9 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | trans | -63.4 | 147.9 | 175.6 | -177.2 | 0 | 0 | 0 | 0 | 109 | E63 D64 L65 | S61-E63 PolarHBondContact O-N 3.41Å; S61-D64 WeakPolarHBondContact O-CB 3.02Å; S61-D64 PolarHBondContact O-N 2.77Å; S61-L65 PolarHBondContact O-N 2.78Å | ||
| 62 | M | 79.9 | Confident | 68.7 | Low | 153 Ų | 153 | 118.2 Ų | 118.2 | 75% | 0.754 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -50.5 | -33.7 | 173.7 | -170.1 | 85.3 | 82.1 | 0 | 0 | 111.5 | L65 V66 | M62-L65 PolarHBondContact O-N 3.26Å; M62-V66 WeakPolarHBondContact O-CG2 3.35Å; M62-V66 PolarHBondContact O-N 3.47Å; M62-V66 VanDerWaalsContact O-N 3.09Å |
| 63 | E | 80.1 | Confident | 70.1 | Confident | 117 Ų | 117 | 115.2 Ų | 115.2 | 55% | 0.547 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.5 | -40.6 | 175.1 | -172.4 | 60.6 | -149 | 0 | 0 | 112.6 | S61 V66 N67 | S61-E63 PolarHBondContact O-N 3.41Å; E63-V66 PolarHBondContact O-N 3.43Å; E63-N67 WeakPolarHBondContact O-CB 3.34Å; E63-N67 VanDerWaalsContact O-CG 3.28Å; E63-N67 PolarHBondContact O-N 3.07Å; E63-N67 PolarHBondContact O-ND2 3.4Å; E63-N67 PolarHBondContact OE1-ND2 3.5Å |
| 64 | D | 82.9 | Confident | 71.8 | Confident | 83 Ų | 83 | 112.1 Ų | 112.1 | 44% | 0.444 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72 | -32.7 | 179.7 | -65.1 | -35.2 | 0 | 0 | 0 | 111.8 | K60 S61 E68 | K60-D64 HydrophobicContact CG-CB 4Å; S61-D64 WeakPolarHBondContact O-CB 3.02Å; S61-D64 PolarHBondContact O-N 2.77Å; D64-E68 WeakPolarHBondContact O-CB 3.41Å; D64-E68 PolarHBondContact O-N 2.82Å |
| 65 | L | 85.8 | Confident | 73.1 | Confident | 97 Ų | 97 | 112.7 Ų | 112.7 | 51% | 0.508 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.6 | -43.4 | 173.9 | -91.4 | 133.7 | 0 | 0 | 0 | 111.9 | K60 S61 M62 F69 | K60-L65 HydrophobicContact CB-CD1 4.31Å; S61-L65 PolarHBondContact O-N 2.78Å; M62-L65 PolarHBondContact O-N 3.26Å; L65-F69 WeakPolarHBondContact O-CB 3.2Å; L65-F69 PolarHBondContact O-N 3.21Å; L65-F69 VanDerWaalsContact O-N 3.08Å |
| 66 | V | 84 | Confident | 74.2 | Confident | 83 Ų | 83 | 110.2 Ų | 110.2 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.2 | -41.6 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | M62 E63 F69 D70 | M62-V66 WeakPolarHBondContact O-CG2 3.35Å; M62-V66 PolarHBondContact O-N 3.47Å; M62-V66 VanDerWaalsContact O-N 3.09Å; E63-V66 PolarHBondContact O-N 3.43Å; V66-F69 WeakPolarHBondContact O-CB 3.47Å; V66-F69 PolarHBondContact O-N 2.79Å; V66-D70 PolarHBondContact O-N 3.3Å |
| 67 | N | 83.1 | Confident | 75.3 | Confident | 82 Ų | 82 | 107.8 Ų | 107.8 | 44% | 0.439 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 177.6 | -74.5 | -47.3 | 0 | 0 | 0 | 112.6 | E63 F69 D70 E71 | E63-N67 WeakPolarHBondContact O-CB 3.34Å; E63-N67 VanDerWaalsContact O-CG 3.28Å; E63-N67 PolarHBondContact O-N 3.07Å; E63-N67 PolarHBondContact O-ND2 3.4Å; E63-N67 PolarHBondContact OE1-ND2 3.5Å; N67-F69 VanDerWaalsContact C-N 3.3Å; N67-F69 PolarHBondContact O-N 3.46Å; N67-D70 PolarHBondContact O-N 2.89Å; N67-E71 WeakPolarHBondContact O-CB 3.43Å; N67-E71 PolarHBondContact O-N 3.09Å |
| 68 | E | 84.7 | Confident | 75.5 | Confident | 68 Ų | 68 | 106.6 Ų | 106.6 | 32% | 0.318 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 174.3 | -170.6 | -174.8 | 148.3 | 0 | 0 | 111.9 | K60 D64 K72 | K60-E68 IonicContact NZ-OE2 3.75Å; K60-E68 PolarHBondContact NZ-OE2 3.13Å; D64-E68 WeakPolarHBondContact O-CB 3.41Å; D64-E68 PolarHBondContact O-N 2.82Å; E68-K72 WeakPolarHBondContact O-CG 3.35Å; E68-K72 PolarHBondContact O-N 2.59Å; E68-K72 VanDerWaalsContact O-N 3.08Å; E68-K72 IonicContact OE1-NZ 3.61Å; E68-K72 PolarHBondContact OE1-NZ 2.82Å |
| 69 | F | 82.3 | Confident | 75.5 | Confident | 129 Ų | 129 | 107.9 Ų | 107.9 | 57% | 0.566 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.8 | -45.1 | 175.7 | -179.6 | -103 | 0 | 0 | 0 | 111.8 | L65 V66 N67 K72 L73 | L65-F69 WeakPolarHBondContact O-CB 3.2Å; L65-F69 PolarHBondContact O-N 3.21Å; L65-F69 VanDerWaalsContact O-N 3.08Å; V66-F69 WeakPolarHBondContact O-CB 3.47Å; V66-F69 PolarHBondContact O-N 2.79Å; N67-F69 VanDerWaalsContact C-N 3.3Å; N67-F69 PolarHBondContact O-N 3.46Å; F69-K72 WeakPolarHBondContact O-CB 3.47Å; F69-K72 PolarHBondContact O-N 3.43Å; F69-L73 HydrophobicContact CD1-CD1 4.01Å; F69-L73 HydrophobicContact CD1-CG 4.41Å; F69-L73 HydrophobicContact CE1-CD1 3.47Å; F69-L73 VanDerWaalsContact CE1-CD1 3.47Å; F69-L73 HydrophobicContact CE1-CG 4.04Å; F69-L73 HydrophobicContact CZ-CD1 3.98Å; F69-L73 HydrophobicContact CZ-CD2 4.31Å; F69-L73 HydrophobicContact CZ-CG 4.19Å; F69-L73 PolarHBondContact O-N 3.37Å |
| 70 | D | 81.8 | Confident | 75.9 | Confident | 94 Ų | 94 | 106.1 Ų | 106.1 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.4 | -35.9 | 179.8 | -153.4 | 43 | 0 | 0 | 0 | 111.7 | V66 N67 K72 L73 N74 | V66-D70 PolarHBondContact O-N 3.3Å; N67-D70 PolarHBondContact O-N 2.89Å; D70-K72 PolarHBondContact O-N 3.47Å; D70-L73 PolarHBondContact O-N 2.99Å; D70-N74 WeakPolarHBondContact O-CB 3.5Å; D70-N74 PolarHBondContact O-N 2.78Å |
| 71 | E | 81.8 | Confident | 75.8 | Confident | 140 Ų | 140 | 107.3 Ų | 107.3 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 172.3 | -166.2 | 174.4 | -169 | 0 | 0 | 111.4 | N67 N74 V75 | N67-E71 WeakPolarHBondContact O-CB 3.43Å; N67-E71 PolarHBondContact O-N 3.09Å; E71-N74 PolarHBondContact O-N 3.32Å; E71-V75 VanDerWaalsContact O-CG2 3.32Å; E71-V75 WeakPolarHBondContact O-CG2 3.31Å; E71-V75 PolarHBondContact O-N 3.23Å |
| 72 | K | 80.8 | Confident | 75.2 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 172.8 | -82.5 | 172.3 | 179.7 | 157.1 | 0 | 112.2 | E68 F69 D70 N74 V75 C76 | E68-K72 WeakPolarHBondContact O-CG 3.35Å; E68-K72 PolarHBondContact O-N 2.59Å; E68-K72 VanDerWaalsContact O-N 3.08Å; E68-K72 IonicContact OE1-NZ 3.61Å; E68-K72 PolarHBondContact OE1-NZ 2.82Å; F69-K72 WeakPolarHBondContact O-CB 3.47Å; F69-K72 PolarHBondContact O-N 3.43Å; D70-K72 PolarHBondContact O-N 3.47Å; K72-N74 VanDerWaalsContact C-N 3.31Å; K72-N74 PolarHBondContact O-N 3.43Å; K72-V75 PolarHBondContact O-N 2.95Å; K72-C76 PolarHBondContact O-N 3.22Å; K72-C76 PolarHBondContact O-SG 2.92Å |
| 73 | L | 80.1 | Confident | 74.2 | Confident | 52 Ų | 52 | 109.1 Ų | 109.1 | 27% | 0.272 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 175.2 | -72.9 | -178.1 | 0 | 0 | 0 | 111.5 | F69 D70 V75 C76 F77 | F69-L73 HydrophobicContact CD1-CD1 4.01Å; F69-L73 HydrophobicContact CD1-CG 4.41Å; F69-L73 HydrophobicContact CE1-CD1 3.47Å; F69-L73 VanDerWaalsContact CE1-CD1 3.47Å; F69-L73 HydrophobicContact CE1-CG 4.04Å; F69-L73 HydrophobicContact CZ-CD1 3.98Å; F69-L73 HydrophobicContact CZ-CD2 4.31Å; F69-L73 HydrophobicContact CZ-CG 4.19Å; F69-L73 PolarHBondContact O-N 3.37Å; D70-L73 PolarHBondContact O-N 2.99Å; L73-V75 VanDerWaalsContact C-N 3.31Å; L73-V75 PolarHBondContact O-N 3.03Å; L73-C76 PolarHBondContact O-N 3.26Å; L73-F77 HydrophobicContact CD2-CD2 4.13Å; L73-F77 HydrophobicContact CD2-CE2 3.91Å; L73-F77 WeakPolarHBondContact O-CD2 3.39Å; L73-F77 PolarHBondContact O-N 3.16Å |
| 74 | N | 79.2 | Confident | 73.2 | Confident | 86 Ų | 86 | 108.6 Ų | 108.6 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.4 | -33.3 | -179.8 | -130.5 | 14.3 | 0 | 0 | 0 | 112.1 | D70 E71 K72 H78 | D70-N74 WeakPolarHBondContact O-CB 3.5Å; D70-N74 PolarHBondContact O-N 2.78Å; E71-N74 PolarHBondContact O-N 3.32Å; K72-N74 VanDerWaalsContact C-N 3.31Å; K72-N74 PolarHBondContact O-N 3.43Å; N74-H78 WeakPolarHBondContact O-CA 3.47Å; N74-H78 PolarHBondContact O-N 3.41Å; N74-H78 PolarHBondContact O-ND1 3.19Å |
| 75 | V | 75.9 | Confident | 72.1 | Confident | 103 Ų | 103 | 112.7 Ų | 112.7 | 62% | 0.624 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.4 | -41.1 | 172.4 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | E71 K72 L73 | E71-V75 VanDerWaalsContact O-CG2 3.32Å; E71-V75 WeakPolarHBondContact O-CG2 3.31Å; E71-V75 PolarHBondContact O-N 3.23Å; K72-V75 PolarHBondContact O-N 2.95Å; L73-V75 VanDerWaalsContact C-N 3.31Å; L73-V75 PolarHBondContact O-N 3.03Å |
| 76 | C | 69.8 | Low | 70.8 | Confident | 96 Ų | 96 | 111.3 Ų | 111.3 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.6 | -37.9 | -179.1 | -69.3 | 0 | 0 | 0 | 0 | 113.7 | K72 L73 | K72-C76 PolarHBondContact O-N 3.22Å; K72-C76 PolarHBondContact O-SG 2.92Å; L73-C76 PolarHBondContact O-N 3.26Å |
| 77 | F | 69.7 | Low | 69.6 | Low | 127 Ų | 127 | 114.1 Ų | 114.1 | 56% | 0.557 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 28.3 | -171.5 | -62.1 | -74.3 | 0 | 0 | 0 | 113 | L73 N79 | L73-F77 HydrophobicContact CD2-CD2 4.13Å; L73-F77 HydrophobicContact CD2-CE2 3.91Å; L73-F77 WeakPolarHBondContact O-CD2 3.39Å; L73-F77 PolarHBondContact O-N 3.16Å; F77-N79 PolarHBondContact O-N 3.1Å |
| 78 | H | 57.5 | Low | 67.9 | Low | 147 Ų | 147 | 113.5 Ų | 113.5 | 68% | 0.681 | 59% | 0.594 | S | S | * | * | trans | -40 | 108.5 | -177.5 | -122.2 | 68.1 | 0 | 0 | 0 | 110.8 | N74 | N74-H78 WeakPolarHBondContact O-CA 3.47Å; N74-H78 PolarHBondContact O-N 3.41Å; N74-H78 PolarHBondContact O-ND1 3.19Å | ||
| 79 | N | 57.9 | Low | 66.2 | Low | 95 Ų | 95 | 115.7 Ų | 115.7 | 51% | 0.508 | 61% | 0.614 | S | S | . | * | trans | 88.2 | 77.1 | 170.3 | -141.9 | -25.6 | 0 | 0 | 0 | 116.9 | F77 N81 T82 | F77-N79 PolarHBondContact O-N 3.1Å; N79-N81 PolarHBondContact O-N 2.95Å; N79-T82 HydrophobicContact CB-CG2 3.74Å; N79-T82 PolarHBondContact O-N 3Å; N79-T82 VanDerWaalsContact O-N 3.09Å; N79-T82 PolarHBondContact O-OG1 3.36Å | ||
| 80 | Y | 61.9 | Low | 64.7 | Low | 161 Ų | 161 | 117 Ų | 117 | 63% | 0.631 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -13.9 | 171.1 | -60.8 | -82.2 | 0 | 0 | 0 | 115.7 | ||
| 81 | N | 59.3 | Low | 63.5 | Low | 150 Ų | 150 | 120 Ų | 120 | 80% | 0.802 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 9.1 | -178.5 | -81.8 | -41.1 | 0 | 0 | 0 | 114 | N79 K83 | N79-N81 PolarHBondContact O-N 2.95Å; N81-K83 PolarHBondContact O-N 3.32Å |
| 82 | T | 61 | Low | 62.1 | Low | 77 Ų | 77 | 119.2 Ų | 119.2 | 47% | 0.472 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -73.6 | 124.2 | 175 | 41.9 | 0 | 0 | 0 | 0 | 110.8 | N79 T84 | N79-T82 HydrophobicContact CB-CG2 3.74Å; N79-T82 PolarHBondContact O-N 3Å; N79-T82 VanDerWaalsContact O-N 3.09Å; N79-T82 PolarHBondContact O-OG1 3.36Å; T82-T84 PolarHBondContact O-N 3.25Å |
| 83 | K | 59.1 | Low | 60.8 | Low | 185 Ų | 185 | 121.9 Ų | 121.9 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | trans | -62 | 119.8 | 179.9 | -65.2 | -179.8 | 179.4 | -178.8 | 0 | 109.6 | N81 E85 | N81-K83 PolarHBondContact O-N 3.32Å; K83-E85 PolarHBondContact O-N 3.41Å; K83-E85 VanDerWaalsContact O-N 3.16Å | ||
| 84 | T | 58.9 | Low | 59.6 | Low | 106 Ų | 106 | 124.1 Ų | 124.1 | 65% | 0.65 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -72 | -2.1 | -175.6 | 49.1 | 0 | 0 | 0 | 0 | 114.6 | T82 G86 L87 | T82-T84 PolarHBondContact O-N 3.25Å; T84-G86 PolarHBondContact O-N 3Å; T84-G86 VanDerWaalsContact O-N 3.12Å; T84-L87 PolarHBondContact O-N 3.4Å; T84-L87 VanDerWaalsContact O-N 3.12Å |
| 85 | E | 59.5 | Low | 58.3 | Low | 170 Ų | 170 | 123 Ų | 123 | 79% | 0.794 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -62.3 | -19.5 | -177.4 | -155.3 | 175 | -167.1 | 0 | 0 | 113.7 | K83 | K83-E85 PolarHBondContact O-N 3.41Å; K83-E85 VanDerWaalsContact O-N 3.16Å |
| 86 | G | 58.9 | Low | 57.4 | Low | 68 Ų | 68 | 121.6 Ų | 121.6 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -98.5 | -6.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T84 | T84-G86 PolarHBondContact O-N 3Å; T84-G86 VanDerWaalsContact O-N 3.12Å |
| 87 | L | 58.5 | Low | 56.8 | Low | 142 Ų | 142 | 123.2 Ų | 123.2 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -22.4 | -172.8 | -64 | 174.1 | 0 | 0 | 0 | 113 | T84 | T84-L87 PolarHBondContact O-N 3.4Å; T84-L87 VanDerWaalsContact O-N 3.12Å |
| 88 | A | 48.5 | Very low | 56.3 | Low | 69 Ų | 69 | 123 Ų | 123 | 57% | 0.57 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -152.2 | 97.4 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | I90 | A88-I90 PolarHBondContact O-N 3.44Å; A88-I90 VanDerWaalsContact O-N 3.07Å |
| 89 | P | 48.9 | Very low | 56.5 | Low | 113 Ų | 113 | 119 Ų | 119 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | trans | -60.6 | 114.1 | 172 | -20.4 | 32.2 | 0 | 0 | 0 | 109 | R91 | P89-R91 PolarHBondContact O-N 2.77Š| ||
| 90 | I | 50.5 | Low | 56.6 | Low | 156 Ų | 156 | 121.1 Ų | 121.1 | 80% | 0.8 | 64% | 0.636 | S | S | * | * | trans | -66.3 | 107.5 | 173.8 | -53.3 | 174.8 | 0 | 0 | 0 | 106.5 | A88 N92 | A88-I90 PolarHBondContact O-N 3.44Å; A88-I90 VanDerWaalsContact O-N 3.07Å; I90-N92 PolarHBondContact O-N 3.23Å | ||
| 91 | R | 56 | Low | 56.6 | Low | 157 Ų | 157 | 119.5 Ų | 119.5 | 59% | 0.592 | 63% | 0.634 | S | S | * | * | trans | -59.9 | 124 | 173.7 | -90.7 | 165.1 | 63.7 | 151.4 | -11 | 108 | P89 H95 D99 | P89-R91 PolarHBondContact O-N 2.77Å; R91-H95 PolarHBondContact NE-CD2 3.49Å; R91-H95 PolarHBondContact NH2-CD2 3.35Å; R91-H95 PolarHBondContact NH2-CE1 2.95Å; R91-H95 PolarHBondContact NH2-NE2 3.42Å; R91-D99 IonicContact NH2-OD2 3.92Å; R91-D99 PolarHBondContact NH2-OD2 3.45Å | ||
| 92 | N | 52.2 | Low | 56.6 | Low | 125 Ų | 125 | 120.5 Ų | 120.5 | 67% | 0.668 | 63% | 0.627 | S | S | * | * | trans | -63.2 | 146.9 | -179 | -65.9 | -44.1 | 0 | 0 | 0 | 110.9 | I90 T94 H95 | I90-N92 PolarHBondContact O-N 3.23Å; N92-T94 PolarHBondContact O-N 3.46Å; N92-H95 PolarHBondContact O-N 3.5Å | ||
| 93 | Q | 53.5 | Low | 56.4 | Low | 174 Ų | 174 | 121.3 Ų | 121.3 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -50.3 | -22.1 | -175 | -145.3 | 167.2 | 38.3 | 0 | 0 | 115.1 | H95 | Q93-H95 VanDerWaalsContact C-N 3.32Å; Q93-H95 PolarHBondContact O-N 3.04Å |
| 94 | T | 55.6 | Low | 56.4 | Low | 99 Ų | 99 | 120 Ų | 120 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.6 | -29 | 176.1 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | N92 | N92-T94 PolarHBondContact O-N 3.46Å |
| 95 | H | 51.3 | Low | 56.4 | Low | 64 Ų | 64 | 121.9 Ų | 121.9 | 30% | 0.296 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -75.8 | -31.6 | -179.9 | -162.8 | -7 | 0 | 0 | 0 | 112.1 | R91 N92 Q93 Q97 E98 D99 | R91-H95 PolarHBondContact NE-CD2 3.49Å; R91-H95 PolarHBondContact NH2-CD2 3.35Å; R91-H95 PolarHBondContact NH2-CE1 2.95Å; R91-H95 PolarHBondContact NH2-NE2 3.42Å; N92-H95 PolarHBondContact O-N 3.5Å; Q93-H95 VanDerWaalsContact C-N 3.32Å; Q93-H95 PolarHBondContact O-N 3.04Å; H95-Q97 VanDerWaalsContact C-N 3.29Å; H95-Q97 PolarHBondContact O-N 2.87Å; H95-E98 PolarHBondContact O-N 3.38Å; H95-D99 IonicContact CE1-OD1 3.69Å; H95-D99 IonicContact CE1-OD2 2.85Å; H95-D99 IonicContact ND1-OD1 3.5Å; H95-D99 IonicContact ND1-OD2 2.71Å; H95-D99 PolarHBondContact ND1-OD2 2.99Å; H95-D99 PolarHBondContact O-N 3.16Å |
| 96 | S | 56 | Low | 56.6 | Low | 73 Ų | 73 | 118.5 Ų | 118.5 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.6 | -32.8 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 112.6 | E100 | S96-E100 WeakPolarHBondContact O-CB 3.07Å; S96-E100 PolarHBondContact O-N 3.37Å |
| 97 | Q | 57.3 | Low | 56.8 | Low | 129 Ų | 129 | 121.8 Ų | 121.8 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.5 | -36.3 | 180 | -170 | 169.6 | 8.2 | 0 | 0 | 112.4 | H95 E100 E101 | H95-Q97 VanDerWaalsContact C-N 3.29Å; H95-Q97 PolarHBondContact O-N 2.87Å; Q97-E100 PolarHBondContact O-N 3.01Å; Q97-E101 PolarHBondContact O-N 2.97Å; Q97-E101 VanDerWaalsContact O-N 3.1Å |
| 98 | E | 60.2 | Low | 57.2 | Low | 124 Ų | 124 | 119.9 Ų | 119.9 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.3 | -34.8 | 175.6 | -67.2 | 177.4 | -178.9 | 0 | 0 | 112.2 | H95 E100 R102 | H95-E98 PolarHBondContact O-N 3.38Å; E98-E100 VanDerWaalsContact C-N 3.34Å; E98-R102 WeakPolarHBondContact O-CB 3.29Å; E98-R102 PolarHBondContact O-N 2.89Å; E98-R102 VanDerWaalsContact O-N 3.09Å |
| 99 | D | 60.9 | Low | 58.1 | Low | 62 Ų | 62 | 122 Ų | 122 | 33% | 0.332 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.6 | -32.9 | 175.5 | -67.7 | -29.3 | 0 | 0 | 0 | 111 | R91 H95 L103 | R91-D99 IonicContact NH2-OD2 3.92Å; R91-D99 PolarHBondContact NH2-OD2 3.45Å; H95-D99 IonicContact CE1-OD1 3.69Å; H95-D99 IonicContact CE1-OD2 2.85Å; H95-D99 IonicContact ND1-OD1 3.5Å; H95-D99 IonicContact ND1-OD2 2.71Å; H95-D99 PolarHBondContact ND1-OD2 2.99Å; H95-D99 PolarHBondContact O-N 3.16Å; D99-L103 WeakPolarHBondContact O-CB 2.81Å; D99-L103 WeakPolarHBondContact O-CD1 3.28Å; D99-L103 WeakPolarHBondContact O-CG 3.5Å; D99-L103 PolarHBondContact O-N 2.96Å; D99-L103 VanDerWaalsContact O-N 3.09Å |
| 100 | E | 61.3 | Low | 59 | Low | 140 Ų | 140 | 121.6 Ų | 121.6 | 65% | 0.654 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.2 | -41.7 | 177.4 | -160.1 | 171.4 | -161.8 | 0 | 0 | 112.5 | S96 Q97 E98 L103 Q104 | S96-E100 WeakPolarHBondContact O-CB 3.07Å; S96-E100 PolarHBondContact O-N 3.37Å; Q97-E100 PolarHBondContact O-N 3.01Å; E98-E100 VanDerWaalsContact C-N 3.34Å; E100-L103 PolarHBondContact O-N 2.84Å; E100-Q104 PolarHBondContact O-N 3.37Å |
| 101 | E | 61.3 | Low | 60.1 | Low | 126 Ų | 126 | 117.8 Ų | 117.8 | 59% | 0.589 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.5 | -40.2 | 171.7 | -92 | -176.7 | 167.4 | 0 | 0 | 111.8 | Q97 L103 Q104 | Q97-E101 PolarHBondContact O-N 2.97Å; Q97-E101 VanDerWaalsContact O-N 3.1Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 2.77Å; E101-Q104 PolarHBondContact O-N 2.87Å |
| 102 | R | 58.4 | Low | 60.8 | Low | 172 Ų | 172 | 115.7 Ų | 115.7 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -35.7 | 176.9 | -88.1 | -175.2 | 66.6 | 152.6 | 1.1 | 113.5 | E98 Q104 E106 | E98-R102 WeakPolarHBondContact O-CB 3.29Å; E98-R102 PolarHBondContact O-N 2.89Å; E98-R102 VanDerWaalsContact O-N 3.09Å; R102-Q104 VanDerWaalsContact C-N 3.3Å; R102-E106 WeakPolarHBondContact O-CG 3.45Å |
| 103 | L | 58.4 | Low | 61.5 | Low | 93 Ų | 93 | 111.4 Ų | 111.4 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.6 | -35.1 | 177.6 | -76 | 166.5 | 0 | 0 | 0 | 110.5 | D99 E100 E101 D105 E106 | D99-L103 WeakPolarHBondContact O-CB 2.81Å; D99-L103 WeakPolarHBondContact O-CD1 3.28Å; D99-L103 WeakPolarHBondContact O-CG 3.5Å; D99-L103 PolarHBondContact O-N 2.96Å; D99-L103 VanDerWaalsContact O-N 3.09Å; E100-L103 PolarHBondContact O-N 2.84Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 2.77Å; L103-D105 PolarHBondContact O-N 3Å; L103-E106 PolarHBondContact O-N 3.19Å |
| 104 | Q | 57.9 | Low | 61.9 | Low | 158 Ų | 158 | 108.1 Ų | 108.1 | 74% | 0.738 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.8 | -23.6 | -179.4 | -147.1 | 162.6 | 42.6 | 0 | 0 | 114 | E100 E101 R102 | E100-Q104 PolarHBondContact O-N 3.37Å; E101-Q104 PolarHBondContact O-N 2.87Å; R102-Q104 VanDerWaalsContact C-N 3.3Å |
| 105 | D | 58.4 | Low | 62.1 | Low | 146 Ų | 146 | 109.9 Ų | 109.9 | 78% | 0.781 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -3.5 | 179.1 | -77.4 | -19.8 | 0 | 0 | 0 | 114.1 | L103 | L103-D105 PolarHBondContact O-N 3Š|
| 106 | E | 64.5 | Low | 62.4 | Low | 98 Ų | 98 | 115.5 Ų | 115.5 | 46% | 0.458 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -87.5 | 122 | -179.7 | -66.5 | -76.8 | 162.8 | 0 | 0 | 109.9 | R102 L103 V108 W109 | R102-E106 WeakPolarHBondContact O-CG 3.45Å; L103-E106 PolarHBondContact O-N 3.19Å; E106-V108 HydrophobicContact CB-CB 4.38Å; E106-V108 HydrophobicContact CB-CG2 4.48Å; E106-V108 PolarHBondContact O-N 3.05Å; E106-W109 PolarHBondContact O-N 3.1Å |
| 107 | D | 62.3 | Low | 62.5 | Low | 138 Ų | 138 | 117.4 Ų | 117.4 | 74% | 0.738 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -49.8 | -14.8 | 174.1 | -61 | -52.7 | 0 | 0 | 0 | 113.7 | A111 | D107-A111 WeakPolarHBondContact O-CB 3.44Å; D107-A111 PolarHBondContact O-N 3.43Å |
| 108 | V | 68.3 | Low | 62.5 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 61% | 0.612 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66 | -36.5 | 173.4 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | E106 A111 L112 | E106-V108 HydrophobicContact CB-CB 4.38Å; E106-V108 HydrophobicContact CB-CG2 4.48Å; E106-V108 PolarHBondContact O-N 3.05Å; V108-A111 PolarHBondContact O-N 3.22Å; V108-L112 WeakPolarHBondContact O-CB 3.23Å; V108-L112 PolarHBondContact O-N 3.26Å |
| 109 | W | 66.8 | Low | 61.9 | Low | 115 Ų | 115 | 114.4 Ų | 114.4 | 44% | 0.436 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71.5 | -39.3 | 178.6 | -100.8 | 108.6 | 0 | 0 | 0 | 112.1 | E106 L112 T113 | E106-W109 PolarHBondContact O-N 3.1Å; W109-L112 HydrophobicContact CE3-CD2 4.11Å; W109-L112 HydrophobicContact CH2-CD2 4.29Å; W109-L112 HydrophobicContact CZ3-CD2 3.82Å; W109-L112 PolarHBondContact O-N 3.48Å; W109-T113 HydrophobicContact CE3-CG2 3.71Å; W109-T113 HydrophobicContact CZ3-CG2 3.92Å; W109-T113 WeakPolarHBondContact O-CB 3.32Å; W109-T113 WeakPolarHBondContact O-CG2 3.26Å; W109-T113 PolarHBondContact O-N 3.35Å; W109-T113 PolarHBondContact O-OG1 3.36Å |
| 110 | D | 68.3 | Low | 61.5 | Low | 104 Ų | 104 | 122.1 Ų | 122.1 | 56% | 0.556 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.7 | -46.8 | 171.1 | -75.7 | -14.7 | 0 | 0 | 0 | 110 | L112 T113 D114 | D110-L112 VanDerWaalsContact C-N 3.29Å; D110-L112 PolarHBondContact O-N 2.87Å; D110-T113 PolarHBondContact O-N 3.39Å; D110-T113 VanDerWaalsContact O-N 3.15Å; D110-D114 VanDerWaalsContact O-CB 3.25Å; D110-D114 WeakPolarHBondContact O-CB 3.38Å; D110-D114 PolarHBondContact O-N 2.92Å |
| 111 | A | 73.4 | Confident | 60.7 | Low | 76 Ų | 76 | 121.9 Ų | 121.9 | 63% | 0.628 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.3 | -32.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D107 V108 | D107-A111 WeakPolarHBondContact O-CB 3.44Å; D107-A111 PolarHBondContact O-N 3.43Å; V108-A111 PolarHBondContact O-N 3.22Å |
| 112 | L | 71.2 | Confident | 59.7 | Low | 112 Ų | 112 | 118.2 Ų | 118.2 | 59% | 0.586 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.7 | -29.8 | 178.2 | -174.2 | 63 | 0 | 0 | 0 | 112.3 | V108 W109 D110 | V108-L112 WeakPolarHBondContact O-CB 3.23Å; V108-L112 PolarHBondContact O-N 3.26Å; W109-L112 HydrophobicContact CE3-CD2 4.11Å; W109-L112 HydrophobicContact CH2-CD2 4.29Å; W109-L112 HydrophobicContact CZ3-CD2 3.82Å; W109-L112 PolarHBondContact O-N 3.48Å; D110-L112 VanDerWaalsContact C-N 3.29Å; D110-L112 PolarHBondContact O-N 2.87Å |
| 113 | T | 65.5 | Low | 59.2 | Low | 36 Ų | 36 | 116.3 Ų | 116.3 | 22% | 0.221 | 62% | 0.619 | C | S | . | * | H | α-helix | trans | -105 | -13.1 | -173.3 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | W109 D110 N115 Y116 I117 | W109-T113 HydrophobicContact CE3-CG2 3.71Å; W109-T113 HydrophobicContact CZ3-CG2 3.92Å; W109-T113 WeakPolarHBondContact O-CB 3.32Å; W109-T113 WeakPolarHBondContact O-CG2 3.26Å; W109-T113 PolarHBondContact O-N 3.35Å; W109-T113 PolarHBondContact O-OG1 3.36Å; D110-T113 PolarHBondContact O-N 3.39Å; D110-T113 VanDerWaalsContact O-N 3.15Å; T113-N115 PolarHBondContact O-N 3.04Å; T113-N115 VanDerWaalsContact O-N 3.14Å; T113-Y116 WeakPolarHBondContact O-CA 3.38Å; T113-Y116 PolarHBondContact O-N 2.76Å; T113-I117 WeakPolarHBondContact O-CG1 3.38Å; T113-I117 PolarHBondContact O-N 2.79Å |
| 114 | D | 63 | Low | 58.5 | Low | 104 Ų | 104 | 119.9 Ų | 119.9 | 56% | 0.556 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -55.7 | -35.7 | -178.4 | -125.3 | 7.1 | 0 | 0 | 0 | 112.8 | D110 S118 | D110-D114 VanDerWaalsContact O-CB 3.25Å; D110-D114 WeakPolarHBondContact O-CB 3.38Å; D110-D114 PolarHBondContact O-N 2.92Å; D114-S118 WeakPolarHBondContact O-CB 3.34Å; D114-S118 PolarHBondContact O-N 3.39Å; D114-S118 PolarHBondContact O-OG 3.12Å |
| 115 | N | 59.7 | Low | 57.8 | Low | 137 Ų | 137 | 116.9 Ų | 116.9 | 73% | 0.733 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76.3 | -24.1 | 178.9 | -131.9 | 7.8 | 0 | 0 | 0 | 112.8 | T113 T119 | T113-N115 PolarHBondContact O-N 3.04Å; T113-N115 VanDerWaalsContact O-N 3.14Å; N115-T119 PolarHBondContact O-OG1 2.66Å |
| 116 | Y | 57 | Low | 56.8 | Low | 182 Ų | 182 | 119.3 Ų | 119.3 | 71% | 0.714 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -89.7 | -31.1 | 179.5 | -81.7 | -84.7 | 0 | 0 | 0 | 112.6 | T113 | T113-Y116 WeakPolarHBondContact O-CA 3.38Å; T113-Y116 PolarHBondContact O-N 2.76Å |
| 117 | I | 58.9 | Low | 55.2 | Low | 112 Ų | 112 | 118.1 Ų | 118.1 | 57% | 0.574 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82.4 | -38.3 | -176.2 | -63.2 | 168.7 | 0 | 0 | 0 | 111.6 | T113 T119 W120 | T113-I117 WeakPolarHBondContact O-CG1 3.38Å; T113-I117 PolarHBondContact O-N 2.79Å; I117-T119 PolarHBondContact O-N 2.87Å; I117-T119 VanDerWaalsContact O-N 3.12Å; I117-W120 PolarHBondContact O-N 3.43Å |
| 118 | S | 56.2 | Low | 53.8 | Low | 83 Ų | 83 | 119.6 Ų | 119.6 | 58% | 0.58 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -15.6 | -178.8 | -56.1 | 0 | 0 | 0 | 0 | 114.6 | D114 | D114-S118 WeakPolarHBondContact O-CB 3.34Å; D114-S118 PolarHBondContact O-N 3.39Å; D114-S118 PolarHBondContact O-OG 3.12Å |
| 119 | T | 49 | Very low | 52.1 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -18.5 | -175.1 | -57.1 | 0 | 0 | 0 | 0 | 112.9 | N115 I117 | N115-T119 PolarHBondContact O-OG1 2.66Å; I117-T119 PolarHBondContact O-N 2.87Å; I117-T119 VanDerWaalsContact O-N 3.12Å |
| 120 | W | 50.7 | Low | 50.4 | Low | 223 Ų | 223 | 119.7 Ų | 119.7 | 85% | 0.845 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -11.7 | -177.3 | -64.5 | 91.6 | 0 | 0 | 0 | 114.1 | I117 G122 | I117-W120 PolarHBondContact O-N 3.43Å; W120-G122 PolarHBondContact O-N 3.34Å |
| 121 | D | 46.2 | Very low | 48.9 | Very low | 135 Ų | 135 | 122 Ų | 122 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -92.6 | 88.7 | 171.3 | -132.4 | 4.5 | 0 | 0 | 0 | 108.7 | ||
| 122 | G | 39.5 | Very low | 46.9 | Very low | 50 Ų | 50 | 126.2 Ų | 126.2 | 52% | 0.515 | 71% | 0.708 | S | S | . | * | trans | -59.5 | 156.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W120 N124 | W120-G122 PolarHBondContact O-N 3.34Å; G122-N124 PolarHBondContact O-N 3.04Å | ||
| 123 | P | 48.1 | Very low | 45.2 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -75.8 | 78 | 179.4 | 33 | -32.8 | 0 | 0 | 0 | 108.9 | ||
| 124 | N | 43.1 | Very low | 44.1 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | trans | -162.4 | 60.9 | 167.6 | -99.4 | -14.5 | 0 | 0 | 0 | 110.4 | G122 | G122-N124 PolarHBondContact O-N 3.04Š| ||
| 125 | S | 42.9 | Very low | 42.7 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -142.3 | 141.2 | 149.3 | 73 | 0 | 0 | 0 | 0 | 110 | ||
| 126 | E | 37.4 | Very low | 41.6 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | 89.8 | 94.2 | 176.2 | -51.6 | -164.1 | 139.6 | 0 | 0 | 117.6 | ||||
| 127 | G | 31 | Very low | 40.7 | Very low | 74 Ų | 74 | 134.4 Ų | 134.4 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | trans | -176.7 | 40.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 128 | L | 33.6 | Very low | 39.2 | Very low | 168 Ų | 168 | 136 Ų | 136 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | trans | 70.1 | 105.5 | 146.2 | -132.2 | 81.1 | 0 | 0 | 0 | 120.2 | ||||
| 129 | N | 33.8 | Very low | 38.6 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | 66 | 121.1 | 120.3 | -163.9 | 25 | 0 | 0 | 0 | 121.3 | |||||
| 130 | G | 29.9 | Very low | 38 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 162 | 87.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 131 | N | 37.7 | Very low | 37.4 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -43.5 | 144.4 | 165.8 | -67.8 | -78.8 | 0 | 0 | 0 | 113 | ||||
| 132 | L | 31.3 | Very low | 37.1 | Very low | 166 Ų | 166 | 146 Ų | 146 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | 179.5 | 112 | 135.1 | -91.2 | 159.3 | 0 | 0 | 0 | 111.6 | ||||
| 133 | S | 35.2 | Very low | 37.3 | Very low | 104 Ų | 104 | 153 Ų | 153 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 24.8 | 134.9 | 147.4 | 57.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 134 | D | 42.9 | Very low | 37 | Very low | 168 Ų | 168 | 156.1 Ų | 156.1 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -28.1 | 122.8 | 144.4 | -98.6 | -25.3 | 0 | 0 | 0 | 114.9 | ||||
| 135 | H | 32.3 | Very low | 36.9 | Very low | 160 Ų | 160 | 156.3 Ų | 156.3 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -177.2 | 120.3 | 133 | -135.1 | -3.6 | 0 | 0 | 0 | 110.8 | ||||
| 136 | E | 37 | Very low | 36.9 | Very low | 154 Ų | 154 | 158.5 Ų | 158.5 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | 50.4 | 158.5 | 130.9 | -155.4 | 163.3 | 173.1 | 0 | 0 | 121.5 | ||||
| 137 | I | 37.7 | Very low | 37.4 | Very low | 156 Ų | 156 | 158 Ų | 158 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | 96.8 | 90.5 | 171.2 | -39 | 149.7 | 0 | 0 | 0 | 113.3 | ||||
| 138 | H | 28.7 | Very low | 38.2 | Very low | 145 Ų | 145 | 164.4 Ų | 164.4 | 67% | 0.671 | 83% | 0.825 | S | S | * | * | 75.7 | 121.5 | 67.7 | -149.5 | -87.1 | 0 | 0 | 0 | 113.7 | |||||
| 139 | E | 42.3 | Very low | 38.8 | Very low | 157 Ų | 157 | 163.1 Ų | 163.1 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | 35.7 | 100.6 | 154.4 | -67.7 | 174.6 | 176 | 0 | 0 | 118 | ||||
| 140 | K | 37 | Very low | 39.4 | Very low | 209 Ų | 209 | 164.8 Ų | 164.8 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -174 | 81.5 | 146.4 | -109.6 | 169 | -178 | -177.2 | 0 | 111.3 | ||||
| 141 | E | 37.6 | Very low | 39.7 | Very low | 200 Ų | 200 | 168.5 Ų | 168.5 | 94% | 0.935 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -152.9 | 22 | 155.3 | -141.6 | 173 | -171.3 | 0 | 0 | 112.7 | ||
| 142 | E | 40 | Very low | 40.2 | Very low | 195 Ų | 195 | 166 Ų | 166 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -105.7 | 10 | 179.9 | -140.2 | -179.6 | -174.2 | 0 | 0 | 113.8 | ||
| 143 | E | 43.1 | Very low | 40.3 | Very low | 195 Ų | 195 | 165.7 Ų | 165.7 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -131.3 | 59 | 179.4 | -73.5 | -170.6 | 158.8 | 0 | 0 | 113.3 | ||||
| 144 | E | 42.2 | Very low | 40.3 | Very low | 199 Ų | 199 | 165.5 Ų | 165.5 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -137.3 | 51.5 | 159 | -149.9 | 177.1 | -175.8 | 0 | 0 | 111 | ||||
| 145 | M | 40.6 | Very low | 40.4 | Very low | 171 Ų | 171 | 164.3 Ų | 164.3 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | -95.2 | 117.3 | 163.1 | -153.7 | -154.3 | -49 | 0 | 0 | 107.8 | ||||
| 146 | N | 43.7 | Very low | 40.6 | Very low | 141 Ų | 141 | 164.7 Ų | 164.7 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | trans | 148.2 | -2.2 | 133.6 | 82.6 | 59.1 | 0 | 0 | 0 | 118.6 | K148 | N146-K148 PolarHBondContact O-N 3.25Å; N146-K148 VanDerWaalsContact O-N 3.11Å | ||
| 147 | E | 47.5 | Very low | 41.1 | Very low | 185 Ų | 185 | 165.8 Ų | 165.8 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 30.5 | -161.2 | -137.8 | 179.1 | -154.6 | 0 | 0 | 118.2 | ||
| 148 | K | 48.5 | Very low | 41.5 | Very low | 210 Ų | 210 | 166.5 Ų | 166.5 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139 | 24.2 | 174 | -69.5 | -176.8 | 179.9 | 163.7 | 0 | 116.2 | N146 | N146-K148 PolarHBondContact O-N 3.25Å; N146-K148 VanDerWaalsContact O-N 3.11Å |
| 149 | N | 46.8 | Very low | 43.1 | Very low | 140 Ų | 140 | 164.5 Ų | 164.5 | 75% | 0.749 | 83% | 0.828 | S | S | * | * | trans | -103.6 | 80.8 | 165.8 | 172 | 27 | 0 | 0 | 0 | 110.2 | ||||
| 150 | E | 45.1 | Very low | 43.6 | Very low | 186 Ų | 186 | 164.7 Ų | 164.7 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | trans | -160.7 | 69.5 | 164 | -84.6 | -65.4 | 138 | 0 | 0 | 108.1 | ||||
| 151 | N | 37.3 | Very low | 45 | Very low | 146 Ų | 146 | 159.6 Ų | 159.6 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | -144.8 | 48.2 | 156.2 | 82.2 | -6.3 | 0 | 0 | 0 | 112.5 | N153 | N151-N153 PolarHBondContact O-N 2.85Š| ||
| 152 | A | 46.6 | Very low | 46.9 | Very low | 98 Ų | 98 | 153.7 Ų | 153.7 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -64.8 | 81.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 153 | N | 35.2 | Very low | 48.5 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -114.4 | 97.3 | 158.7 | -147.9 | 63.9 | 0 | 0 | 0 | 107.7 | N151 | N151-N153 PolarHBondContact O-N 2.85Š| ||
| 154 | C | 33.9 | Very low | 50 | Low | 100 Ų | 100 | 143.9 Ų | 143.9 | 68% | 0.676 | 76% | 0.762 | S | S | * | * | trans | -52.2 | 158 | 172.7 | -55.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 155 | L | 45.3 | Very low | 51.9 | Low | 144 Ų | 144 | 139.3 Ų | 139.3 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | 80.2 | 78.9 | 161.1 | -49.7 | 175.6 | 0 | 0 | 0 | 116.5 | ||||
| 156 | N | 36.8 | Very low | 53.9 | Low | 168 Ų | 168 | 133.8 Ų | 133.8 | 90% | 0.898 | 72% | 0.716 | S | S | * | * | -126.5 | 103.2 | 121.3 | -72.1 | -63.4 | 0 | 0 | 0 | 106.3 | E158 | N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 2.93Å | |||
| 157 | E | 47.2 | Very low | 55.8 | Low | 176 Ų | 176 | 131.6 Ų | 131.6 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | trans | -57.6 | 98.6 | 163.8 | -75.9 | 177 | 133.5 | 0 | 0 | 107.7 | ||||
| 158 | E | 45.6 | Very low | 57.6 | Low | 172 Ų | 172 | 129.3 Ų | 129.3 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -73.7 | 117.7 | 144.6 | -166.5 | 161.2 | -165.9 | 0 | 0 | 104.6 | N156 L160 | N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 2.93Å; E158-L160 PolarHBondContact O-N 3.22Å | ||
| 159 | P | 63.7 | Low | 59.3 | Low | 102 Ų | 102 | 124.1 Ų | 124.1 | 66% | 0.662 | 67% | 0.672 | S | S | * | * | trans | -52.2 | 122.7 | -179.4 | -22.3 | 31.4 | 0 | 0 | 0 | 107.8 | I161 | P159-I161 PolarHBondContact O-N 3.31Š| ||
| 160 | L | 52.8 | Low | 61.1 | Low | 161 Ų | 161 | 121.5 Ų | 121.5 | 84% | 0.843 | 66% | 0.657 | S | S | * | * | trans | -54.7 | 113.2 | 169.2 | -68.2 | 173.7 | 0 | 0 | 0 | 105.7 | E158 T162 | E158-L160 PolarHBondContact O-N 3.22Å; L160-T162 PolarHBondContact O-N 2.99Å | ||
| 161 | I | 64.7 | Low | 62.7 | Low | 102 Ų | 102 | 115.5 Ų | 115.5 | 52% | 0.523 | 63% | 0.633 | S | S | . | * | trans | -51.3 | 116.4 | -177.7 | -132.5 | 155.5 | 0 | 0 | 0 | 106.2 | P159 Q165 V166 | P159-I161 PolarHBondContact O-N 3.31Å; I161-Q165 HydrophobicContact CG1-CB 4.38Å; I161-Q165 HydrophobicContact CG1-CG 4.17Å; I161-V166 HydrophobicContact CG2-CG2 3.3Å | ||
| 162 | T | 79.3 | Confident | 64.7 | Low | 77 Ų | 77 | 114 Ų | 114 | 47% | 0.472 | 62% | 0.621 | S | S | . | * | trans | -69.4 | 148.1 | -171.7 | -61.6 | 0 | 0 | 0 | 0 | 107.5 | L160 D164 Q165 V166 | L160-T162 PolarHBondContact O-N 2.99Å; T162-D164 HydrophobicContact CG2-CB 4.22Å; T162-D164 PolarHBondContact O-N 3.2Å; T162-Q165 WeakPolarHBondContact O-CA 3.49Å; T162-Q165 WeakPolarHBondContact O-CB 3.49Å; T162-Q165 PolarHBondContact O-N 3.31Å; T162-V166 PolarHBondContact O-N 3.37Å; T162-V166 VanDerWaalsContact O-N 3.11Å | ||
| 163 | A | 72.4 | Confident | 66.2 | Low | 68 Ų | 68 | 115.6 Ų | 115.6 | 56% | 0.562 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -51.9 | -34.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q165 V166 I167 | A163-Q165 VanDerWaalsContact C-N 3.33Å; A163-Q165 PolarHBondContact O-N 3.22Å; A163-V166 PolarHBondContact O-N 3.45Å; A163-I167 WeakPolarHBondContact O-CB 3.49Å; A163-I167 VanDerWaalsContact O-CD1 3.3Å; A163-I167 WeakPolarHBondContact O-CD1 3.49Å; A163-I167 WeakPolarHBondContact O-CG1 3.41Å; A163-I167 PolarHBondContact O-N 2.79Å |
| 164 | D | 75.4 | Confident | 68 | Low | 116 Ų | 116 | 114.1 Ų | 114.1 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -33.2 | 175.1 | -59.3 | -34.1 | 0 | 0 | 0 | 113.1 | T162 I167 E168 | T162-D164 HydrophobicContact CG2-CB 4.22Å; T162-D164 PolarHBondContact O-N 3.2Å; D164-I167 PolarHBondContact O-N 2.71Å; D164-E168 VanDerWaalsContact O-CB 3.27Å; D164-E168 WeakPolarHBondContact O-CB 3.2Å; D164-E168 PolarHBondContact O-N 2.97Å |
| 165 | Q | 81.6 | Confident | 69.6 | Low | 103 Ų | 103 | 116.8 Ų | 116.8 | 48% | 0.481 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -76.6 | -34.6 | 178.1 | -166.4 | 161.4 | 15.6 | 0 | 0 | 112.2 | I161 T162 A163 I167 E168 E169 | I161-Q165 HydrophobicContact CG1-CB 4.38Å; I161-Q165 HydrophobicContact CG1-CG 4.17Å; T162-Q165 WeakPolarHBondContact O-CA 3.49Å; T162-Q165 WeakPolarHBondContact O-CB 3.49Å; T162-Q165 PolarHBondContact O-N 3.31Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; A163-Q165 PolarHBondContact O-N 3.22Å; Q165-I167 VanDerWaalsContact C-N 3.35Å; Q165-E168 PolarHBondContact O-N 3.16Å; Q165-E169 WeakPolarHBondContact O-CB 3.2Å; Q165-E169 PolarHBondContact O-N 3.27Å |
| 166 | V | 82.5 | Confident | 70.3 | Confident | 54 Ų | 54 | 115.8 Ų | 115.8 | 33% | 0.327 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.1 | -40.5 | 169.3 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | I161 T162 A163 E168 E169 I170 | I161-V166 HydrophobicContact CG2-CG2 3.3Å; T162-V166 PolarHBondContact O-N 3.37Å; T162-V166 VanDerWaalsContact O-N 3.11Å; A163-V166 PolarHBondContact O-N 3.45Å; V166-E168 VanDerWaalsContact C-N 3.34Å; V166-E169 PolarHBondContact O-N 3.43Å; V166-I170 HydrophobicContact CG1-CD1 3.76Å; V166-I170 HydrophobicContact CG1-CG1 4.36Å; V166-I170 WeakPolarHBondContact O-CB 3.37Å; V166-I170 WeakPolarHBondContact O-CG1 3.24Å; V166-I170 PolarHBondContact O-N 2.91Å |
| 167 | I | 83.6 | Confident | 71 | Confident | 96 Ų | 96 | 110.9 Ų | 110.9 | 49% | 0.492 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.5 | -41.1 | 177.4 | -69.6 | 162.3 | 0 | 0 | 0 | 110 | A163 D164 Q165 I170 V171 | A163-I167 WeakPolarHBondContact O-CB 3.49Å; A163-I167 VanDerWaalsContact O-CD1 3.3Å; A163-I167 WeakPolarHBondContact O-CD1 3.49Å; A163-I167 WeakPolarHBondContact O-CG1 3.41Å; A163-I167 PolarHBondContact O-N 2.79Å; D164-I167 PolarHBondContact O-N 2.71Å; Q165-I167 VanDerWaalsContact C-N 3.35Å; I167-I170 PolarHBondContact O-N 3.4Å; I167-V171 HydrophobicContact CG2-CG2 4.3Å; I167-V171 WeakPolarHBondContact O-CB 3.32Å; I167-V171 WeakPolarHBondContact O-CG2 3.46Å; I167-V171 PolarHBondContact O-N 3.11Å |
| 168 | E | 85.4 | Confident | 71.4 | Confident | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.1 | -41.3 | 176 | -165.8 | 165.2 | -151.1 | 0 | 0 | 111.6 | D164 Q165 V166 V171 E172 | D164-E168 VanDerWaalsContact O-CB 3.27Å; D164-E168 WeakPolarHBondContact O-CB 3.2Å; D164-E168 PolarHBondContact O-N 2.97Å; Q165-E168 PolarHBondContact O-N 3.16Å; V166-E168 VanDerWaalsContact C-N 3.34Å; E168-V171 PolarHBondContact O-N 3.05Å; E168-E172 WeakPolarHBondContact O-CB 3.41Å; E168-E172 PolarHBondContact O-N 2.82Å |
| 169 | E | 84.6 | Confident | 71.5 | Confident | 101 Ų | 101 | 104.1 Ų | 104.1 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -39.4 | 173.9 | -175.2 | 177.7 | 178 | 0 | 0 | 112.2 | Q165 V166 E172 M173 | Q165-E169 WeakPolarHBondContact O-CB 3.2Å; Q165-E169 PolarHBondContact O-N 3.27Å; V166-E169 PolarHBondContact O-N 3.43Å; E169-E172 PolarHBondContact O-N 2.91Å; E169-M173 WeakPolarHBondContact O-CB 3.41Å; E169-M173 WeakPolarHBondContact O-CG 3.41Å; E169-M173 PolarHBondContact O-N 3.48Å |
| 170 | I | 83.8 | Confident | 71 | Confident | 85 Ų | 85 | 105.4 Ų | 105.4 | 44% | 0.436 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70 | -40.2 | 175.3 | -69.1 | 168.8 | 0 | 0 | 0 | 110.9 | V166 I167 E172 M173 M174 | V166-I170 HydrophobicContact CG1-CD1 3.76Å; V166-I170 HydrophobicContact CG1-CG1 4.36Å; V166-I170 WeakPolarHBondContact O-CB 3.37Å; V166-I170 WeakPolarHBondContact O-CG1 3.24Å; V166-I170 PolarHBondContact O-N 2.91Å; I167-I170 PolarHBondContact O-N 3.4Å; I170-E172 VanDerWaalsContact C-N 3.33Å; I170-M173 PolarHBondContact O-N 3.31Å; I170-M174 HydrophobicContact CG2-CG 4.42Å; I170-M174 HydrophobicContact CG2-SD 3.98Å; I170-M174 WeakPolarHBondContact O-CB 3.43Å; I170-M174 WeakPolarHBondContact O-CG 3.27Å; I170-M174 PolarHBondContact O-N 2.9Å |
| 171 | V | 79.3 | Confident | 70.8 | Confident | 59 Ų | 59 | 100.5 Ų | 100.5 | 36% | 0.358 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.7 | -41.2 | 174.9 | 167.6 | 0 | 0 | 0 | 0 | 109.8 | I167 E168 M173 M174 E175 | I167-V171 HydrophobicContact CG2-CG2 4.3Å; I167-V171 WeakPolarHBondContact O-CB 3.32Å; I167-V171 WeakPolarHBondContact O-CG2 3.46Å; I167-V171 PolarHBondContact O-N 3.11Å; E168-V171 PolarHBondContact O-N 3.05Å; V171-M173 PolarHBondContact O-N 3.47Å; V171-M174 CarbonylContact O-C 3.04Å; V171-M174 PolarHBondContact O-N 3.47Å; V171-M174 VanDerWaalsContact O-N 3.12Å; V171-E175 HydrophobicContact CG1-CG 4.16Å; V171-E175 WeakPolarHBondContact O-CB 3.36Å; V171-E175 WeakPolarHBondContact O-CG 3.48Å; V171-E175 PolarHBondContact O-N 3.25Å |
| 172 | E | 80.2 | Confident | 70.1 | Confident | 116 Ų | 116 | 104.1 Ų | 104.1 | 54% | 0.542 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -40.5 | 174.3 | -175.4 | 171.7 | -156.3 | 0 | 0 | 111.2 | E168 E169 I170 M174 E175 N176 | E168-E172 WeakPolarHBondContact O-CB 3.41Å; E168-E172 PolarHBondContact O-N 2.82Å; E169-E172 PolarHBondContact O-N 2.91Å; I170-E172 VanDerWaalsContact C-N 3.33Å; E172-M174 VanDerWaalsContact C-N 3.32Å; E172-M174 PolarHBondContact O-N 2.99Å; E172-E175 PolarHBondContact O-N 2.98Å; E172-N176 VanDerWaalsContact CG-ND2 3.29Å; E172-N176 WeakPolarHBondContact CG-ND2 3.37Å; E172-N176 VanDerWaalsContact O-CB 3.23Å; E172-N176 WeakPolarHBondContact O-CB 3.45Å; E172-N176 VanDerWaalsContact O-CG 3.27Å; E172-N176 PolarHBondContact O-N 3.49Å; E172-N176 PolarHBondContact O-ND2 3.45Å |
| 173 | M | 77.9 | Confident | 68.5 | Low | 130 Ų | 130 | 103.2 Ų | 103.2 | 64% | 0.64 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.4 | -31.5 | 171.8 | -76.8 | 179.3 | 48.5 | 0 | 0 | 113.5 | E169 I170 V171 S177 | E169-M173 WeakPolarHBondContact O-CB 3.41Å; E169-M173 WeakPolarHBondContact O-CG 3.41Å; E169-M173 PolarHBondContact O-N 3.48Å; I170-M173 PolarHBondContact O-N 3.31Å; V171-M173 PolarHBondContact O-N 3.47Å; M173-S177 PolarHBondContact O-N 3.32Å |
| 174 | M | 71.3 | Confident | 67.3 | Low | 129 Ų | 129 | 109 Ų | 109 | 64% | 0.635 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -78.5 | -34 | 177.4 | -73.2 | 177.6 | 64 | 0 | 0 | 112.2 | I170 V171 E172 S177 | I170-M174 HydrophobicContact CG2-CG 4.42Å; I170-M174 HydrophobicContact CG2-SD 3.98Å; I170-M174 WeakPolarHBondContact O-CB 3.43Å; I170-M174 WeakPolarHBondContact O-CG 3.27Å; I170-M174 PolarHBondContact O-N 2.9Å; V171-M174 CarbonylContact O-C 3.04Å; V171-M174 PolarHBondContact O-N 3.47Å; V171-M174 VanDerWaalsContact O-N 3.12Å; E172-M174 VanDerWaalsContact C-N 3.32Å; E172-M174 PolarHBondContact O-N 2.99Å; M174-S177 PolarHBondContact O-OG 3.48Å |
| 175 | E | 68 | Low | 66 | Low | 157 Ų | 157 | 112 Ų | 112 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -79.8 | -23.5 | 175.9 | -70.9 | -176.5 | 171.2 | 0 | 0 | 112.5 | V171 E172 | V171-E175 HydrophobicContact CG1-CG 4.16Å; V171-E175 WeakPolarHBondContact O-CB 3.36Å; V171-E175 WeakPolarHBondContact O-CG 3.48Å; V171-E175 PolarHBondContact O-N 3.25Å; E172-E175 PolarHBondContact O-N 2.98Å |
| 176 | N | 60.2 | Low | 64.3 | Low | 122 Ų | 122 | 115.5 Ų | 115.5 | 65% | 0.652 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -93.1 | 3 | 170.4 | -67.8 | -56.1 | 0 | 0 | 0 | 113.5 | E172 | E172-N176 VanDerWaalsContact CG-ND2 3.29Å; E172-N176 WeakPolarHBondContact CG-ND2 3.37Å; E172-N176 VanDerWaalsContact O-CB 3.23Å; E172-N176 WeakPolarHBondContact O-CB 3.45Å; E172-N176 VanDerWaalsContact O-CG 3.27Å; E172-N176 PolarHBondContact O-N 3.49Å; E172-N176 PolarHBondContact O-ND2 3.45Å |
| 177 | S | 52.2 | Low | 62.3 | Low | 66 Ų | 66 | 118.9 Ų | 118.9 | 46% | 0.462 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -73.7 | 131.5 | 166.1 | 81.3 | 0 | 0 | 0 | 0 | 108.1 | M173 M174 D179 | M173-S177 PolarHBondContact O-N 3.32Å; M174-S177 PolarHBondContact O-OG 3.48Å; S177-D179 PolarHBondContact O-N 2.89Å |
| 178 | P | 55.1 | Low | 60.6 | Low | 94 Ų | 94 | 123 Ų | 123 | 61% | 0.61 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -60 | 116.7 | 175 | -14.6 | 27 | 0 | 0 | 0 | 107.8 | T183 | P178-T183 HydrophobicContact CB-CG2 4.49Š|
| 179 | D | 46.9 | Very low | 58.9 | Low | 112 Ų | 112 | 124.2 Ų | 124.2 | 60% | 0.599 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.7 | 170.4 | -176.5 | 31.3 | 0 | 0 | 0 | 107.5 | S177 G181 E182 T183 | S177-D179 PolarHBondContact O-N 2.89Å; D179-G181 PolarHBondContact O-N 3.25Å; D179-E182 PolarHBondContact O-N 2.87Å; D179-T183 PolarHBondContact O-OG1 3.36Å |
| 180 | P | 54.3 | Low | 57 | Low | 129 Ų | 129 | 128.2 Ų | 128.2 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 15.8 | -177.8 | 27 | -36.7 | 0 | 0 | 0 | 114.3 | ||
| 181 | G | 49.2 | Very low | 54.8 | Low | 57 Ų | 57 | 129.2 Ų | 129.2 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -18.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D179 | D179-G181 PolarHBondContact O-N 3.25Š|
| 182 | E | 49.6 | Very low | 53.2 | Low | 178 Ų | 178 | 130.2 Ų | 130.2 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -133.1 | 14.1 | -169.9 | -65.3 | -94.8 | 145.2 | 0 | 0 | 113.8 | D179 | D179-E182 PolarHBondContact O-N 2.87Š|
| 183 | T | 45.5 | Very low | 51.4 | Low | 58 Ų | 58 | 132.3 Ų | 132.3 | 36% | 0.356 | 70% | 0.704 | S | S | . | * | trans | -110 | 17.1 | -175.7 | -32.1 | 0 | 0 | 0 | 0 | 114.7 | P178 D179 D187 | P178-T183 HydrophobicContact CB-CG2 4.49Å; D179-T183 PolarHBondContact O-OG1 3.36Å; T183-D187 WeakPolarHBondContact CG2-OD2 3.32Å | ||
| 184 | E | 46.8 | Very low | 49.3 | Very low | 190 Ų | 190 | 131.7 Ų | 131.7 | 89% | 0.888 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -86.7 | 1.7 | 175.4 | -66.7 | -135.4 | 163.4 | 0 | 0 | 114.6 | ||
| 185 | E | 48.3 | Very low | 47.6 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -134.6 | -6.3 | -173 | -63.7 | -85.9 | 159.4 | 0 | 0 | 117.6 | ||
| 186 | E | 46.1 | Very low | 46.1 | Very low | 176 Ų | 176 | 129.4 Ų | 129.4 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -131.1 | -2.8 | -170.7 | -65.3 | -170.1 | 174 | 0 | 0 | 118.5 | ||
| 187 | D | 40.5 | Very low | 45.4 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 13.7 | -177 | -86.7 | -24.6 | 0 | 0 | 0 | 115.8 | T183 | T183-D187 WeakPolarHBondContact CG2-OD2 3.32Š|
| 188 | E | 47.5 | Very low | 45.1 | Very low | 182 Ų | 182 | 134 Ų | 134 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -10.7 | 175.7 | -67.8 | -162.3 | 171.6 | 0 | 0 | 114.4 | ||
| 189 | E | 50.4 | Low | 45 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -98.5 | -22.4 | -167.6 | -62.7 | -154.6 | 170.2 | 0 | 0 | 116.8 | S192 | E189-S192 WeakPolarHBondContact O-CB 3.3Å; E189-S192 PolarHBondContact O-OG 3.26Å |
| 190 | E | 44.9 | Very low | 45.5 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -96 | -12.6 | -173 | -78.7 | -108.9 | 149.9 | 0 | 0 | 115.5 | S192 | E190-S192 VanDerWaalsContact C-N 3.26Å; E190-S192 PolarHBondContact O-N 2.84Å |
| 191 | S | 35.8 | Very low | 46.4 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -84.3 | -1.3 | 171 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | L193 | S191-L193 VanDerWaalsContact C-N 3.29Å; S191-L193 PolarHBondContact O-N 3.2Å |
| 192 | S | 45.8 | Very low | 47.1 | Very low | 80 Ų | 80 | 132 Ų | 132 | 56% | 0.559 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -74.6 | -4 | -171.1 | 68.2 | 0 | 0 | 0 | 0 | 115.6 | E189 E190 | E189-S192 WeakPolarHBondContact O-CB 3.3Å; E189-S192 PolarHBondContact O-OG 3.26Å; E190-S192 VanDerWaalsContact C-N 3.26Å; E190-S192 PolarHBondContact O-N 2.84Å |
| 193 | L | 42.9 | Very low | 48 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -97.5 | 3.8 | -172.4 | -73.8 | 167 | 0 | 0 | 0 | 116 | S191 | S191-L193 VanDerWaalsContact C-N 3.29Å; S191-L193 PolarHBondContact O-N 3.2Å |
| 194 | C | 34.7 | Very low | 49.3 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -141.4 | 47.1 | 170.5 | -160.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 195 | S | 35.6 | Very low | 50.4 | Low | 100 Ų | 100 | 123.8 Ų | 123.8 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | trans | -154.5 | 75.9 | 157.6 | -81.8 | 0 | 0 | 0 | 0 | 110.1 | R197 | S195-R197 PolarHBondContact O-N 2.85Š| ||
| 196 | S | 36.9 | Very low | 51.4 | Low | 138 Ų | 138 | 119.7 Ų | 119.7 | 97% | 0.965 | 65% | 0.654 | S | S | * | * | trans | -72.5 | 48.6 | 165.3 | -155.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 197 | R | 45.2 | Very low | 52.5 | Low | 148 Ų | 148 | 118.6 Ų | 118.6 | 56% | 0.558 | 64% | 0.643 | S | S | * | * | trans | -127.7 | 89.4 | 167.7 | -162.4 | 170.3 | 172.1 | -111.6 | 2.6 | 104.8 | S195 N199 E243 | S195-R197 PolarHBondContact O-N 2.85Å; R197-N199 PolarHBondContact O-N 2.98Å; R197-E243 IonicContact NH2-OE1 2.6Å | ||
| 198 | T | 44.8 | Very low | 53.7 | Low | 135 Ų | 135 | 117 Ų | 117 | 83% | 0.828 | 63% | 0.631 | S | S | * | * | trans | -54 | 91.9 | 168.4 | 48.1 | 0 | 0 | 0 | 0 | 107.8 | P200 | T198-P200 VanDerWaalsContact O-CD 3.26Å; T198-P200 WeakPolarHBondContact O-CD 3.11Å | ||
| 199 | N | 53.3 | Low | 54.2 | Low | 112 Ų | 112 | 112 Ų | 112 | 60% | 0.599 | 61% | 0.61 | S | S | * | * | trans | -72.9 | 111.4 | 164.6 | -66.4 | -33.9 | 0 | 0 | 0 | 105 | R197 | R197-N199 PolarHBondContact O-N 2.98Š| ||
| 200 | P | 57.9 | Low | 54.9 | Low | 48 Ų | 48 | 107.4 Ų | 107.4 | 31% | 0.312 | 60% | 0.595 | S | S | . | * | trans | -59.7 | 148.9 | 173 | -5.8 | 20.5 | 0 | 0 | 0 | 108.1 | T198 L202 E204 E205 | T198-P200 VanDerWaalsContact O-CD 3.26Å; T198-P200 WeakPolarHBondContact O-CD 3.11Å; P200-L202 PolarHBondContact O-N 2.88Å; P200-E204 HydrophobicContact CB-CB 3.85Å; P200-E204 HydrophobicContact CB-CG 3.94Å; P200-E205 HydrophobicContact CB-CG 3.91Å; P200-E205 WeakPolarHBondContact CD-OE1 3.39Å; P200-E205 HydrophobicContact CG-CG 3.81Å | ||
| 201 | S | 73 | Confident | 55.7 | Low | 84 Ų | 84 | 103 Ų | 103 | 59% | 0.587 | 58% | 0.575 | S | S | * | * | trans | -49.1 | 140.7 | 166.5 | 171.4 | 0 | 0 | 0 | 0 | 109.1 | L203 E204 E205 | S201-L203 CarbonylContact O-C 3.55Å; S201-L203 PolarHBondContact O-N 3.14Å; S201-E204 WeakPolarHBondContact O-CA 3.41Å; S201-E204 VanDerWaalsContact O-CB 3.3Å; S201-E204 WeakPolarHBondContact O-CB 3.4Å; S201-E204 PolarHBondContact O-N 2.8Å; S201-E205 PolarHBondContact O-N 3.03Å | ||
| 202 | L | 63 | Low | 56.6 | Low | 106 Ų | 106 | 101 Ų | 101 | 56% | 0.555 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -49 | -31.8 | 178.4 | 175.8 | 140.9 | 0 | 0 | 0 | 112.1 | P200 E205 I206 | P200-L202 PolarHBondContact O-N 2.88Å; L202-E205 PolarHBondContact O-N 3Å; L202-I206 HydrophobicContact CD2-CD1 3.53Å; L202-I206 HydrophobicContact CG-CD1 4.18Å; L202-I206 WeakPolarHBondContact O-CD1 3.41Å; L202-I206 WeakPolarHBondContact O-CG1 3.46Å; L202-I206 PolarHBondContact O-N 2.88Å |
| 203 | L | 68.5 | Low | 57.1 | Low | 129 Ų | 129 | 100.9 Ų | 100.9 | 68% | 0.675 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.6 | -40.6 | 173.5 | -173.8 | 66.3 | 0 | 0 | 0 | 113.1 | S201 I206 R207 | S201-L203 CarbonylContact O-C 3.55Å; S201-L203 PolarHBondContact O-N 3.14Å; L203-I206 PolarHBondContact O-N 2.91Å; L203-R207 VanDerWaalsContact O-CB 3.27Å; L203-R207 WeakPolarHBondContact O-CB 3.25Å; L203-R207 PolarHBondContact O-N 3.41Å |
| 204 | E | 73.3 | Confident | 57.8 | Low | 78 Ų | 78 | 99.2 Ų | 99.2 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.2 | -34.3 | 177.7 | -169.4 | 57.7 | -150.3 | 0 | 0 | 111.3 | P200 S201 R207 Q208 | P200-E204 HydrophobicContact CB-CB 3.85Å; P200-E204 HydrophobicContact CB-CG 3.94Å; S201-E204 WeakPolarHBondContact O-CA 3.41Å; S201-E204 VanDerWaalsContact O-CB 3.3Å; S201-E204 WeakPolarHBondContact O-CB 3.4Å; S201-E204 PolarHBondContact O-N 2.8Å; E204-R207 PolarHBondContact O-N 2.74Å; E204-Q208 WeakPolarHBondContact O-CB 3.38Å; E204-Q208 VanDerWaalsContact O-CG 3.27Å; E204-Q208 WeakPolarHBondContact O-CG 3.32Å; E204-Q208 PolarHBondContact O-N 3.2Å |
| 205 | E | 70.3 | Confident | 59 | Low | 47 Ų | 47 | 99.5 Ų | 99.5 | 22% | 0.22 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 170.5 | -69 | -173 | 172.4 | 0 | 0 | 112 | P200 S201 L202 R207 Q208 L209 | P200-E205 HydrophobicContact CB-CG 3.91Å; P200-E205 WeakPolarHBondContact CD-OE1 3.39Å; P200-E205 HydrophobicContact CG-CG 3.81Å; S201-E205 PolarHBondContact O-N 3.03Å; L202-E205 PolarHBondContact O-N 3Å; E205-R207 VanDerWaalsContact C-N 3.26Å; E205-R207 PolarHBondContact O-N 3.33Å; E205-Q208 PolarHBondContact O-N 3.09Å; E205-L209 WeakPolarHBondContact O-CB 3.36Å; E205-L209 WeakPolarHBondContact O-CG 3.44Å; E205-L209 PolarHBondContact O-N 3.16Å |
| 206 | I | 68.4 | Low | 60.1 | Low | 93 Ų | 93 | 99.4 Ų | 99.4 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 174.4 | -68.8 | 166.1 | 0 | 0 | 0 | 110.7 | L202 L203 L209 S210 | L202-I206 HydrophobicContact CD2-CD1 3.53Å; L202-I206 HydrophobicContact CG-CD1 4.18Å; L202-I206 WeakPolarHBondContact O-CD1 3.41Å; L202-I206 WeakPolarHBondContact O-CG1 3.46Å; L202-I206 PolarHBondContact O-N 2.88Å; L203-I206 PolarHBondContact O-N 2.91Å; I206-L209 PolarHBondContact O-N 3.36Å; I206-S210 WeakPolarHBondContact O-CB 3.47Å; I206-S210 PolarHBondContact O-N 3.06Å |
| 207 | R | 70.2 | Confident | 61.1 | Low | 154 Ų | 154 | 96.4 Ų | 96.4 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67 | -39.3 | 178 | -162.6 | -163.3 | 166.5 | 147.5 | -0.7 | 111.8 | L203 E204 E205 Q211 | L203-R207 VanDerWaalsContact O-CB 3.27Å; L203-R207 WeakPolarHBondContact O-CB 3.25Å; L203-R207 PolarHBondContact O-N 3.41Å; E204-R207 PolarHBondContact O-N 2.74Å; E205-R207 VanDerWaalsContact C-N 3.26Å; E205-R207 PolarHBondContact O-N 3.33Å; R207-Q211 WeakPolarHBondContact O-CB 3.47Å; R207-Q211 VanDerWaalsContact O-CG 3.24Å; R207-Q211 WeakPolarHBondContact O-CG 3.48Å; R207-Q211 PolarHBondContact O-N 3.18Å; R207-Q211 PolarHBondContact O-NE2 3.48Å; R207-Q211 VanDerWaalsContact O-NE2 3.13Å |
| 208 | Q | 65.7 | Low | 62.4 | Low | 92 Ų | 92 | 93.1 Ų | 93.1 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 175.7 | -76 | 176.1 | 59.4 | 0 | 0 | 111.9 | E204 E205 Q211 A212 | E204-Q208 WeakPolarHBondContact O-CB 3.38Å; E204-Q208 VanDerWaalsContact O-CG 3.27Å; E204-Q208 WeakPolarHBondContact O-CG 3.32Å; E204-Q208 PolarHBondContact O-N 3.2Å; E205-Q208 PolarHBondContact O-N 3.09Å; Q208-Q211 PolarHBondContact O-N 2.85Å; Q208-A212 WeakPolarHBondContact O-CB 3.25Å; Q208-A212 PolarHBondContact O-N 3.15Å |
| 209 | L | 58.3 | Low | 63.8 | Low | 78 Ų | 78 | 95.4 Ų | 95.4 | 41% | 0.408 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 173.5 | -80.5 | 166.4 | 0 | 0 | 0 | 112 | E205 I206 A212 S213 Y244 | E205-L209 WeakPolarHBondContact O-CB 3.36Å; E205-L209 WeakPolarHBondContact O-CG 3.44Å; E205-L209 PolarHBondContact O-N 3.16Å; I206-L209 PolarHBondContact O-N 3.36Å; L209-A212 PolarHBondContact O-N 3.04Å; L209-S213 WeakPolarHBondContact O-CB 3.5Å; L209-S213 PolarHBondContact O-N 2.91Å; L209-Y244 HydrophobicContact CD1-CE2 4.45Å; L209-Y244 HydrophobicContact CD2-CD2 4.01Å; L209-Y244 HydrophobicContact CD2-CE2 3.39Å; L209-Y244 HydrophobicContact CG-CE2 4.18Å |
| 210 | S | 63.8 | Low | 64.9 | Low | 64 Ų | 64 | 96.3 Ų | 96.3 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 176.4 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | I206 S213 N214 | I206-S210 WeakPolarHBondContact O-CB 3.47Å; I206-S210 PolarHBondContact O-N 3.06Å; S210-S213 PolarHBondContact O-N 3.22Å; S210-N214 WeakPolarHBondContact O-CB 3.48Å; S210-N214 PolarHBondContact O-N 3.2Å; S210-N214 VanDerWaalsContact O-N 3.14Å |
| 211 | Q | 61.7 | Low | 65.8 | Low | 94 Ų | 94 | 95.6 Ų | 95.6 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -35.9 | 177.6 | -75.7 | 175.4 | 76.4 | 0 | 0 | 113.3 | R207 Q208 N215 | R207-Q211 WeakPolarHBondContact O-CB 3.47Å; R207-Q211 VanDerWaalsContact O-CG 3.24Å; R207-Q211 WeakPolarHBondContact O-CG 3.48Å; R207-Q211 PolarHBondContact O-N 3.18Å; R207-Q211 PolarHBondContact O-NE2 3.48Å; R207-Q211 VanDerWaalsContact O-NE2 3.13Å; Q208-Q211 PolarHBondContact O-N 2.85Å; Q211-N215 PolarHBondContact O-ND2 3Å |
| 212 | A | 55.1 | Low | 66.2 | Low | 64 Ų | 64 | 94 Ų | 94 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.9 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q208 L209 | Q208-A212 WeakPolarHBondContact O-CB 3.25Å; Q208-A212 PolarHBondContact O-N 3.15Å; L209-A212 PolarHBondContact O-N 3.04Å |
| 213 | S | 56.3 | Low | 66.9 | Low | 76 Ų | 76 | 92.4 Ų | 92.4 | 53% | 0.531 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -32.7 | 177.5 | -176.4 | 0 | 0 | 0 | 0 | 113.2 | L209 S210 | L209-S213 WeakPolarHBondContact O-CB 3.5Å; L209-S213 PolarHBondContact O-N 2.91Å; S210-S213 PolarHBondContact O-N 3.22Å |
| 214 | N | 57.9 | Low | 67.7 | Low | 126 Ų | 126 | 91.3 Ų | 91.3 | 67% | 0.674 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -86.4 | -20.3 | -169.8 | -96.5 | -16.7 | 0 | 0 | 0 | 115.8 | S210 | S210-N214 WeakPolarHBondContact O-CB 3.48Å; S210-N214 PolarHBondContact O-N 3.2Å; S210-N214 VanDerWaalsContact O-N 3.14Å |
| 215 | N | 60.5 | Low | 68.2 | Low | 123 Ų | 123 | 90.7 Ų | 90.7 | 66% | 0.658 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -104.1 | -4.4 | -166.7 | -74.3 | -50.6 | 0 | 0 | 0 | 116.4 | Q211 | Q211-N215 PolarHBondContact O-ND2 3Š|
| 216 | N | 57.3 | Low | 69.2 | Low | 98 Ų | 98 | 92.4 Ų | 92.4 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -139.4 | 5.5 | -179.5 | -74.8 | -61.8 | 0 | 0 | 0 | 116.2 | ||
| 217 | C | 58.5 | Low | 70.3 | Confident | 75 Ų | 75 | 93 Ų | 93 | 51% | 0.507 | 53% | 0.526 | S | S | . | . | trans | -107.7 | 25.5 | -168.6 | -60.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 218 | S | 72.6 | Confident | 71.3 | Confident | 79 Ų | 79 | 89.3 Ų | 89.3 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | trans | -69.8 | 133.5 | 166.8 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | E220 G221 L222 | S218-E220 PolarHBondContact O-N 3.07Å; S218-G221 WeakPolarHBondContact O-CA 3.31Å; S218-G221 PolarHBondContact O-N 2.91Å; S218-L222 PolarHBondContact O-N 3.45Å | ||
| 219 | Y | 73.3 | Confident | 72.3 | Confident | 184 Ų | 184 | 86.3 Ų | 86.3 | 72% | 0.722 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -50.7 | -43.2 | 177.7 | 174.5 | -97 | 0 | 0 | 0 | 112 | G221 L222 S223 | Y219-G221 VanDerWaalsContact C-N 3.33Å; Y219-G221 PolarHBondContact O-N 3.45Å; Y219-L222 PolarHBondContact O-N 3.02Å; Y219-S223 WeakPolarHBondContact O-CB 3.37Å; Y219-S223 PolarHBondContact O-N 2.86Å; Y219-S223 PolarHBondContact O-OG 3.32Å |
| 220 | E | 76.5 | Confident | 73.7 | Confident | 130 Ų | 130 | 86.4 Ų | 86.4 | 61% | 0.607 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.2 | -42 | 176.4 | -129 | 72.7 | -162.9 | 0 | 0 | 111.7 | S218 S223 C224 | S218-E220 PolarHBondContact O-N 3.07Å; E220-S223 PolarHBondContact O-N 3.46Å; E220-S223 PolarHBondContact O-OG 3.44Å; E220-C224 PolarHBondContact O-N 2.81Å; E220-C224 PolarHBondContact O-SG 2.88Å |
| 221 | G | 78.2 | Confident | 75 | Confident | 33 Ų | 33 | 90 Ų | 90 | 34% | 0.34 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S218 Y219 C224 M225 | S218-G221 WeakPolarHBondContact O-CA 3.31Å; S218-G221 PolarHBondContact O-N 2.91Å; Y219-G221 VanDerWaalsContact C-N 3.33Å; Y219-G221 PolarHBondContact O-N 3.45Å; G221-C224 PolarHBondContact O-N 3.41Å; G221-M225 WeakPolarHBondContact O-CG 3.31Å; G221-M225 PolarHBondContact O-N 3.44Å |
| 222 | L | 80 | Confident | 76.3 | Confident | 50 Ų | 50 | 92.1 Ų | 92.1 | 26% | 0.262 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 176.2 | -66.7 | 171.1 | 0 | 0 | 0 | 111.9 | S218 Y219 C224 M225 L230 L233 | S218-L222 PolarHBondContact O-N 3.45Å; Y219-L222 PolarHBondContact O-N 3.02Å; L222-C224 VanDerWaalsContact C-N 3.25Å; L222-C224 PolarHBondContact O-N 2.73Å; L222-M225 PolarHBondContact O-N 3Å; L222-L230 HydrophobicContact CD2-CD1 4.17Å; L222-L233 HydrophobicContact CD2-CD2 3.75Å |
| 223 | S | 78.5 | Confident | 77.9 | Confident | 73 Ų | 73 | 91.3 Ų | 91.3 | 51% | 0.51 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -25.4 | 178.7 | 76 | 0 | 0 | 0 | 0 | 113.4 | Y219 E220 | Y219-S223 WeakPolarHBondContact O-CB 3.37Å; Y219-S223 PolarHBondContact O-N 2.86Å; Y219-S223 PolarHBondContact O-OG 3.32Å; E220-S223 PolarHBondContact O-N 3.46Å; E220-S223 PolarHBondContact O-OG 3.44Å |
| 224 | C | 84.4 | Confident | 79.3 | Confident | 107 Ų | 107 | 92.2 Ų | 92.2 | 72% | 0.723 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -6.1 | 179.6 | -69.6 | 0 | 0 | 0 | 0 | 113.2 | E220 G221 L222 | E220-C224 PolarHBondContact O-N 2.81Å; E220-C224 PolarHBondContact O-SG 2.88Å; G221-C224 PolarHBondContact O-N 3.41Å; L222-C224 VanDerWaalsContact C-N 3.25Å; L222-C224 PolarHBondContact O-N 2.73Å |
| 225 | M | 85.2 | Confident | 80.9 | Confident | 65 Ų | 65 | 91.7 Ų | 91.7 | 32% | 0.32 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -78.6 | 144.3 | 176.2 | -75.2 | -169.7 | 177.7 | 0 | 0 | 111.8 | G221 L222 A229 | G221-M225 WeakPolarHBondContact O-CG 3.31Å; G221-M225 PolarHBondContact O-N 3.44Å; L222-M225 PolarHBondContact O-N 3Å; M225-A229 HydrophobicContact CB-CB 4.5Å |
| 226 | P | 91.1 | Very high | 82.3 | Confident | 82 Ų | 82 | 94.7 Ų | 94.7 | 53% | 0.532 | 52% | 0.517 | S | S | . | . | trans | -65.5 | 149.1 | 171.3 | 28.3 | -33.1 | 0 | 0 | 0 | 110.3 | S228 A229 L230 | P226-S228 PolarHBondContact O-N 2.88Å; P226-A229 HydrophobicContact CG-CB 3.81Å; P226-A229 PolarHBondContact O-N 3.5Å; P226-L230 PolarHBondContact O-N 3.34Å; P226-L230 VanDerWaalsContact O-N 3.14Å | ||
| 227 | S | 90.4 | Very high | 83.8 | Confident | 106 Ų | 106 | 93.4 Ų | 93.4 | 74% | 0.741 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -55.7 | -31 | -175.5 | -48.4 | 0 | 0 | 0 | 0 | 113.9 | M231 | S227-M231 WeakPolarHBondContact O-CB 3.48Å; S227-M231 PolarHBondContact O-N 2.77Å; S227-M231 VanDerWaalsContact O-N 3.08Å |
| 228 | S | 91.8 | Very high | 85.4 | Confident | 76 Ų | 76 | 94 Ų | 94 | 53% | 0.531 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 175.2 | 57 | 0 | 0 | 0 | 0 | 112.7 | P226 L230 M231 E232 | P226-S228 PolarHBondContact O-N 2.88Å; S228-L230 VanDerWaalsContact C-N 3.34Å; S228-M231 PolarHBondContact O-N 3.3Å; S228-E232 WeakPolarHBondContact O-CG 3.32Å; S228-E232 PolarHBondContact O-N 3.29Å |
| 229 | A | 87.4 | Confident | 86.2 | Confident | 30 Ų | 30 | 92 Ų | 92 | 25% | 0.248 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -68.3 | -35.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | M225 P226 E232 L233 | M225-A229 HydrophobicContact CB-CB 4.5Å; P226-A229 HydrophobicContact CG-CB 3.81Å; P226-A229 PolarHBondContact O-N 3.5Å; A229-E232 PolarHBondContact O-N 2.83Å; A229-L233 WeakPolarHBondContact O-CB 3.35Å; A229-L233 PolarHBondContact O-N 2.91Å |
| 230 | L | 87.8 | Confident | 87 | Confident | 79 Ų | 79 | 84.6 Ų | 84.6 | 41% | 0.414 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 174.7 | -173.9 | 62.5 | 0 | 0 | 0 | 111.9 | L222 P226 S228 L233 L234 | L222-L230 HydrophobicContact CD2-CD1 4.17Å; P226-L230 PolarHBondContact O-N 3.34Å; P226-L230 VanDerWaalsContact O-N 3.14Å; S228-L230 VanDerWaalsContact C-N 3.34Å; L230-L233 PolarHBondContact O-N 3.28Å; L230-L234 WeakPolarHBondContact O-CB 3.17Å; L230-L234 PolarHBondContact O-N 3.39Å |
| 231 | M | 90.1 | Very high | 87.8 | Confident | 139 Ų | 139 | 83.3 Ų | 83.3 | 69% | 0.685 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.1 | -41.9 | 175.8 | -178 | 174.6 | -76.3 | 0 | 0 | 112.2 | S227 S228 L233 L234 H235 | S227-M231 WeakPolarHBondContact O-CB 3.48Å; S227-M231 PolarHBondContact O-N 2.77Å; S227-M231 VanDerWaalsContact O-N 3.08Å; S228-M231 PolarHBondContact O-N 3.3Å; M231-L233 VanDerWaalsContact C-N 3.34Å; M231-L234 PolarHBondContact O-N 3.34Å; M231-H235 WeakPolarHBondContact O-CB 3.18Å; M231-H235 PolarHBondContact O-N 3.47Å |
| 232 | E | 88.6 | Confident | 88.6 | Confident | 140 Ų | 140 | 88.5 Ų | 88.5 | 65% | 0.654 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 174.2 | -74.4 | 175.1 | -171.9 | 0 | 0 | 111.8 | S228 A229 H235 R236 | S228-E232 WeakPolarHBondContact O-CG 3.32Å; S228-E232 PolarHBondContact O-N 3.29Å; A229-E232 PolarHBondContact O-N 2.83Å; E232-H235 PolarHBondContact O-N 2.89Å; E232-R236 WeakPolarHBondContact O-CB 3.21Å; E232-R236 PolarHBondContact O-N 3.45Å |
| 233 | L | 88.3 | Confident | 89.1 | Confident | 47 Ų | 47 | 91.2 Ų | 91.2 | 25% | 0.246 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 175.1 | 179.9 | 61.5 | 0 | 0 | 0 | 111.5 | L222 A229 L230 M231 R236 V237 | L222-L233 HydrophobicContact CD2-CD2 3.75Å; A229-L233 WeakPolarHBondContact O-CB 3.35Å; A229-L233 PolarHBondContact O-N 2.91Å; L230-L233 PolarHBondContact O-N 3.28Å; M231-L233 VanDerWaalsContact C-N 3.34Å; L233-R236 PolarHBondContact O-N 2.78Å; L233-V237 HydrophobicContact CD1-CG2 4.3Å; L233-V237 WeakPolarHBondContact O-CG2 3.45Å; L233-V237 PolarHBondContact O-N 2.97Å |
| 234 | L | 87.6 | Confident | 89.8 | Confident | 95 Ų | 95 | 91.9 Ų | 91.9 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.9 | -50.8 | 175.6 | -179.5 | 69.1 | 0 | 0 | 0 | 110.6 | L230 M231 R236 V237 E238 | L230-L234 WeakPolarHBondContact O-CB 3.17Å; L230-L234 PolarHBondContact O-N 3.39Å; M231-L234 PolarHBondContact O-N 3.34Å; L234-R236 VanDerWaalsContact C-N 3.29Å; L234-R236 PolarHBondContact O-N 2.91Å; L234-V237 PolarHBondContact O-N 3.28Å; L234-V237 VanDerWaalsContact O-N 3.13Å; L234-E238 HydrophobicContact CD1-CG 4.3Å; L234-E238 HydrophobicContact CG-CG 4.32Å; L234-E238 WeakPolarHBondContact O-CB 3.32Å; L234-E238 WeakPolarHBondContact O-CG 3.34Å; L234-E238 PolarHBondContact O-N 2.94Å |
| 235 | H | 91.3 | Very high | 90.4 | Very high | 115 Ų | 115 | 89.6 Ų | 89.6 | 53% | 0.532 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 179.1 | -177.9 | -99.9 | 0 | 0 | 0 | 112.1 | M231 E232 A239 | M231-H235 WeakPolarHBondContact O-CB 3.18Å; M231-H235 PolarHBondContact O-N 3.47Å; E232-H235 PolarHBondContact O-N 2.89Å; H235-A239 VanDerWaalsContact O-CB 3.24Å; H235-A239 WeakPolarHBondContact O-CB 3.39Å; H235-A239 PolarHBondContact O-N 2.95Å |
| 236 | R | 89.6 | Confident | 90.9 | Very high | 185 Ų | 185 | 92.7 Ų | 92.7 | 70% | 0.698 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 175 | -179.7 | 179.1 | 175.6 | 179.5 | -1 | 111.8 | E232 L233 L234 A239 A240 | E232-R236 WeakPolarHBondContact O-CB 3.21Å; E232-R236 PolarHBondContact O-N 3.45Å; L233-R236 PolarHBondContact O-N 2.78Å; L234-R236 VanDerWaalsContact C-N 3.29Å; L234-R236 PolarHBondContact O-N 2.91Å; R236-A239 PolarHBondContact O-N 3.36Å; R236-A240 WeakPolarHBondContact O-CB 3.37Å; R236-A240 PolarHBondContact O-N 3.15Å |
| 237 | V | 88 | Confident | 91 | Very high | 71 Ų | 71 | 91.6 Ų | 91.6 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 178 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | L233 L234 A239 A240 I241 | L233-V237 HydrophobicContact CD1-CG2 4.3Å; L233-V237 WeakPolarHBondContact O-CG2 3.45Å; L233-V237 PolarHBondContact O-N 2.97Å; L234-V237 PolarHBondContact O-N 3.28Å; L234-V237 VanDerWaalsContact O-N 3.13Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 3.07Å; V237-A240 PolarHBondContact O-N 3.04Å; V237-I241 HydrophobicContact CG1-CD1 3.71Å; V237-I241 HydrophobicContact CG1-CG1 4.31Å; V237-I241 WeakPolarHBondContact O-CB 3.29Å; V237-I241 VanDerWaalsContact O-CG1 3.23Å; V237-I241 WeakPolarHBondContact O-CG1 3.39Å; V237-I241 PolarHBondContact O-N 2.87Å |
| 238 | E | 91.8 | Very high | 91.4 | Very high | 88 Ų | 88 | 91.4 Ų | 91.4 | 41% | 0.411 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 176.2 | -72.5 | 174.7 | 163.1 | 0 | 0 | 112.8 | L234 R242 | L234-E238 HydrophobicContact CD1-CG 4.3Å; L234-E238 HydrophobicContact CG-CG 4.32Å; L234-E238 WeakPolarHBondContact O-CB 3.32Å; L234-E238 WeakPolarHBondContact O-CG 3.34Å; L234-E238 PolarHBondContact O-N 2.94Å; E238-R242 WeakPolarHBondContact O-CG 3.4Å; E238-R242 PolarHBondContact O-N 3.26Å; E238-R242 VanDerWaalsContact O-N 3.12Å; E238-R242 PolarHBondContact O-NE 3.39Å |
| 239 | A | 90.3 | Very high | 91.7 | Very high | 36 Ų | 36 | 92.3 Ų | 92.3 | 30% | 0.298 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | H235 R236 V237 R242 E243 | H235-A239 VanDerWaalsContact O-CB 3.24Å; H235-A239 WeakPolarHBondContact O-CB 3.39Å; H235-A239 PolarHBondContact O-N 2.95Å; R236-A239 PolarHBondContact O-N 3.36Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 3.07Å; A239-R242 PolarHBondContact O-N 3.46Å; A239-E243 PolarHBondContact O-N 3.1Å |
| 240 | A | 90.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 94.8 Ų | 94.8 | 24% | 0.24 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | R236 V237 R242 E243 Y244 | R236-A240 WeakPolarHBondContact O-CB 3.37Å; R236-A240 PolarHBondContact O-N 3.15Å; V237-A240 PolarHBondContact O-N 3.04Å; A240-R242 VanDerWaalsContact C-N 3.29Å; A240-R242 PolarHBondContact O-N 3.24Å; A240-E243 PolarHBondContact O-N 3.41Å; A240-Y244 HydrophobicContact CB-CD2 4.27Å; A240-Y244 HydrophobicContact CB-CE2 3.89Å; A240-Y244 WeakPolarHBondContact O-CD2 3.33Å; A240-Y244 PolarHBondContact O-N 2.85Å |
| 241 | I | 92.7 | Very high | 92.6 | Very high | 104 Ų | 104 | 95.1 Ų | 95.1 | 53% | 0.533 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 175.3 | -71.3 | 167 | 0 | 0 | 0 | 110.5 | V237 S245 | V237-I241 HydrophobicContact CG1-CD1 3.71Å; V237-I241 HydrophobicContact CG1-CG1 4.31Å; V237-I241 WeakPolarHBondContact O-CB 3.29Å; V237-I241 VanDerWaalsContact O-CG1 3.23Å; V237-I241 WeakPolarHBondContact O-CG1 3.39Å; V237-I241 PolarHBondContact O-N 2.87Å; I241-S245 WeakPolarHBondContact O-CB 3.36Å; I241-S245 PolarHBondContact O-N 2.93Å; I241-S245 PolarHBondContact O-OG 3.23Å |
| 242 | R | 95 | Very high | 93 | Very high | 142 Ų | 142 | 92 Ų | 92 | 54% | 0.536 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 177.7 | -79.3 | -178.9 | -76.2 | 155.6 | -8.3 | 111.7 | E238 A239 A240 Y244 S245 E246 | E238-R242 WeakPolarHBondContact O-CG 3.4Å; E238-R242 PolarHBondContact O-N 3.26Å; E238-R242 VanDerWaalsContact O-N 3.12Å; E238-R242 PolarHBondContact O-NE 3.39Å; A239-R242 PolarHBondContact O-N 3.46Å; A240-R242 VanDerWaalsContact C-N 3.29Å; A240-R242 PolarHBondContact O-N 3.24Å; R242-Y244 PolarHBondContact O-N 3.25Å; R242-S245 WeakPolarHBondContact CA-OG 3.32Å; R242-S245 PolarHBondContact O-N 3.29Å; R242-S245 PolarHBondContact O-OG 3.21Å; R242-E246 WeakPolarHBondContact O-CB 3.44Å; R242-E246 PolarHBondContact O-N 3.47Å |
| 243 | E | 91.9 | Very high | 93.4 | Very high | 107 Ų | 107 | 88.1 Ų | 88.1 | 50% | 0.5 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 179.3 | -173.6 | 173.6 | -170.3 | 0 | 0 | 111.9 | R197 A239 A240 S245 E246 E247 | R197-E243 IonicContact NH2-OE1 2.6Å; A239-E243 PolarHBondContact O-N 3.1Å; A240-E243 PolarHBondContact O-N 3.41Å; E243-S245 VanDerWaalsContact C-N 3.34Å; E243-S245 PolarHBondContact O-N 3.34Å; E243-E246 PolarHBondContact O-N 3.17Å; E243-E247 WeakPolarHBondContact O-CB 3.5Å; E243-E247 PolarHBondContact O-N 3.44Å |
| 244 | Y | 92.4 | Very high | 93.9 | Very high | 87 Ų | 87 | 94.5 Ų | 94.5 | 34% | 0.341 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.5 | -34 | 177.7 | -63.2 | -49.3 | 0 | 0 | 0 | 112.9 | L209 A240 R242 L248 | L209-Y244 HydrophobicContact CD1-CE2 4.45Å; L209-Y244 HydrophobicContact CD2-CD2 4.01Å; L209-Y244 HydrophobicContact CD2-CE2 3.39Å; L209-Y244 HydrophobicContact CG-CE2 4.18Å; A240-Y244 HydrophobicContact CB-CD2 4.27Å; A240-Y244 HydrophobicContact CB-CE2 3.89Å; A240-Y244 WeakPolarHBondContact O-CD2 3.33Å; A240-Y244 PolarHBondContact O-N 2.85Å; R242-Y244 PolarHBondContact O-N 3.25Å; Y244-L248 WeakPolarHBondContact O-CB 3.43Å; Y244-L248 PolarHBondContact O-N 3.26Å |
| 245 | S | 96.3 | Very high | 94.4 | Very high | 59 Ų | 59 | 96.7 Ų | 96.7 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 175.6 | 70.8 | 0 | 0 | 0 | 0 | 112 | I241 R242 E243 L248 V249 | I241-S245 WeakPolarHBondContact O-CB 3.36Å; I241-S245 PolarHBondContact O-N 2.93Å; I241-S245 PolarHBondContact O-OG 3.23Å; R242-S245 WeakPolarHBondContact CA-OG 3.32Å; R242-S245 PolarHBondContact O-N 3.29Å; R242-S245 PolarHBondContact O-OG 3.21Å; E243-S245 VanDerWaalsContact C-N 3.34Å; E243-S245 PolarHBondContact O-N 3.34Å; S245-L248 PolarHBondContact O-N 3.02Å; S245-V249 VanDerWaalsContact O-CG2 3.32Å; S245-V249 WeakPolarHBondContact O-CG2 3.33Å; S245-V249 PolarHBondContact O-N 2.78Å |
| 246 | E | 95.4 | Very high | 94.7 | Very high | 129 Ų | 129 | 94.9 Ų | 94.9 | 60% | 0.603 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.5 | -45.5 | 175.4 | -176.3 | 178.2 | 171.7 | 0 | 0 | 110.7 | R242 E243 L248 V249 N250 | R242-E246 WeakPolarHBondContact O-CB 3.44Å; R242-E246 PolarHBondContact O-N 3.47Å; E243-E246 PolarHBondContact O-N 3.17Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 2.84Å; E246-V249 PolarHBondContact O-N 3.31Å; E246-N250 PolarHBondContact O-N 3.44Å; E246-N250 PolarHBondContact O-ND2 3.21Å |
| 247 | E | 95.1 | Very high | 95.1 | Very high | 59 Ų | 59 | 91.8 Ų | 91.8 | 28% | 0.276 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 175.8 | -175.3 | 55.8 | -144.2 | 0 | 0 | 111.7 | E243 V249 N250 Q251 | E243-E247 WeakPolarHBondContact O-CB 3.5Å; E243-E247 PolarHBondContact O-N 3.44Å; E247-V249 VanDerWaalsContact C-N 3.35Å; E247-V249 PolarHBondContact O-N 2.9Å; E247-N250 PolarHBondContact O-N 2.76Å; E247-Q251 WeakPolarHBondContact O-CG 3.29Å; E247-Q251 PolarHBondContact O-N 3.32Å; E247-Q251 WeakPolarHBondContact OE1-CG 3.41Å; E247-Q251 PolarHBondContact OE1-NE2 3.42Å |
| 248 | L | 97.3 | Very high | 95.6 | Very high | 103 Ų | 103 | 92.9 Ų | 92.9 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 175.1 | 177.5 | 62.7 | 0 | 0 | 0 | 111.9 | Y244 S245 E246 N250 Q251 L252 | Y244-L248 WeakPolarHBondContact O-CB 3.43Å; Y244-L248 PolarHBondContact O-N 3.26Å; S245-L248 PolarHBondContact O-N 3.02Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 2.84Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-Q251 PolarHBondContact O-N 2.88Å; L248-L252 HydrophobicContact CD1-CD1 4.28Å; L248-L252 HydrophobicContact CD1-CG 4.3Å; L248-L252 HydrophobicContact CG-CD1 4.16Å; L248-L252 WeakPolarHBondContact O-CB 3.31Å; L248-L252 VanDerWaalsContact O-CG 3.3Å; L248-L252 WeakPolarHBondContact O-CG 3.16Å; L248-L252 PolarHBondContact O-N 2.93Å |
| 249 | V | 98.1 | Very high | 95.9 | Very high | 94 Ų | 94 | 94.5 Ų | 94.5 | 57% | 0.57 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 176.9 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | S245 E246 E247 Q251 L252 A253 | S245-V249 VanDerWaalsContact O-CG2 3.32Å; S245-V249 WeakPolarHBondContact O-CG2 3.33Å; S245-V249 PolarHBondContact O-N 2.78Å; E246-V249 PolarHBondContact O-N 3.31Å; E247-V249 VanDerWaalsContact C-N 3.35Å; E247-V249 PolarHBondContact O-N 2.9Å; V249-Q251 PolarHBondContact O-N 3.42Å; V249-L252 PolarHBondContact O-N 3.48Å; V249-A253 WeakPolarHBondContact O-CB 3.33Å; V249-A253 PolarHBondContact O-N 3.46Å |
| 250 | N | 96.9 | Very high | 96.3 | Very high | 83 Ų | 83 | 98.4 Ų | 98.4 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 177.4 | -71.9 | -30.1 | 0 | 0 | 0 | 112.1 | E246 E247 L248 A253 R254 | E246-N250 PolarHBondContact O-N 3.44Å; E246-N250 PolarHBondContact O-ND2 3.21Å; E247-N250 PolarHBondContact O-N 2.76Å; L248-N250 VanDerWaalsContact C-N 3.34Å; N250-A253 PolarHBondContact O-N 3.12Å; N250-R254 WeakPolarHBondContact O-CB 3.36Å; N250-R254 PolarHBondContact O-N 3.49Å |
| 251 | Q | 97.8 | Very high | 96.7 | Very high | 85 Ų | 85 | 101 Ų | 101 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 177 | -72.6 | -171.3 | 33.3 | 0 | 0 | 112.4 | E247 L248 V249 R254 R255 | E247-Q251 WeakPolarHBondContact O-CG 3.29Å; E247-Q251 PolarHBondContact O-N 3.32Å; E247-Q251 WeakPolarHBondContact OE1-CG 3.41Å; E247-Q251 PolarHBondContact OE1-NE2 3.42Å; L248-Q251 PolarHBondContact O-N 2.88Å; V249-Q251 PolarHBondContact O-N 3.42Å; Q251-R254 PolarHBondContact O-N 3.46Å; Q251-R255 WeakPolarHBondContact O-CB 3.06Å; Q251-R255 PolarHBondContact O-N 3.11Å |
| 252 | L | 97.8 | Very high | 97 | Very high | 73 Ų | 73 | 102.5 Ų | 102.5 | 38% | 0.382 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 174.5 | -72.9 | 172.4 | 0 | 0 | 0 | 111.4 | L248 V249 R254 R255 D256 | L248-L252 HydrophobicContact CD1-CD1 4.28Å; L248-L252 HydrophobicContact CD1-CG 4.3Å; L248-L252 HydrophobicContact CG-CD1 4.16Å; L248-L252 WeakPolarHBondContact O-CB 3.31Å; L248-L252 VanDerWaalsContact O-CG 3.3Å; L248-L252 WeakPolarHBondContact O-CG 3.16Å; L248-L252 PolarHBondContact O-N 2.93Å; V249-L252 PolarHBondContact O-N 3.48Å; L252-R254 PolarHBondContact O-N 3.42Å; L252-R255 WeakPolarHBondContact O-CB 3.23Å; L252-R255 PolarHBondContact O-N 2.86Å; L252-D256 VanDerWaalsContact O-CG 3.28Å; L252-D256 PolarHBondContact O-N 2.81Å |
| 253 | A | 98 | Very high | 97.1 | Very high | 59 Ų | 59 | 101.5 Ų | 101.5 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V249 N250 R255 D256 E257 | V249-A253 WeakPolarHBondContact O-CB 3.33Å; V249-A253 PolarHBondContact O-N 3.46Å; N250-A253 PolarHBondContact O-N 3.12Å; A253-R255 VanDerWaalsContact C-N 3.33Å; A253-R255 PolarHBondContact O-N 2.9Å; A253-D256 PolarHBondContact O-N 3.33Å; A253-E257 PolarHBondContact O-N 2.86Å |
| 254 | R | 98 | Very high | 97.5 | Very high | 181 Ų | 181 | 99.8 Ų | 99.8 | 68% | 0.683 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.5 | -39.9 | 176.1 | -174.7 | 179.7 | -179.8 | 103.1 | 0.2 | 112 | N250 Q251 L252 L258 | N250-R254 WeakPolarHBondContact O-CB 3.36Å; N250-R254 PolarHBondContact O-N 3.49Å; Q251-R254 PolarHBondContact O-N 3.46Å; L252-R254 PolarHBondContact O-N 3.42Å; R254-L258 HydrophobicContact CG-CD1 4.35Å; R254-L258 VanDerWaalsContact O-CG 3.32Å; R254-L258 WeakPolarHBondContact O-CG 3.22Å; R254-L258 PolarHBondContact O-N 2.86Å; R254-L258 VanDerWaalsContact O-N 3.09Å |
| 255 | R | 98.2 | Very high | 97.8 | Very high | 141 Ų | 141 | 101.1 Ų | 101.1 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 177.3 | -178.4 | -162 | 66.7 | 148.8 | 4.6 | 111.2 | Q251 L252 A253 E257 L258 E259 | Q251-R255 WeakPolarHBondContact O-CB 3.06Å; Q251-R255 PolarHBondContact O-N 3.11Å; L252-R255 WeakPolarHBondContact O-CB 3.23Å; L252-R255 PolarHBondContact O-N 2.86Å; A253-R255 VanDerWaalsContact C-N 3.33Å; A253-R255 PolarHBondContact O-N 2.9Å; R255-E257 VanDerWaalsContact C-N 3.35Å; R255-L258 PolarHBondContact O-N 3.09Å; R255-E259 PolarHBondContact O-N 3.09Å |
| 256 | D | 98.4 | Very high | 97.8 | Very high | 77 Ų | 77 | 102.1 Ų | 102.1 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | -179.5 | -64.6 | -2.8 | 0 | 0 | 0 | 111.1 | L252 A253 E259 F260 | L252-D256 VanDerWaalsContact O-CG 3.28Å; L252-D256 PolarHBondContact O-N 2.81Å; A253-D256 PolarHBondContact O-N 3.33Å; D256-E259 PolarHBondContact O-N 3.25Å; D256-F260 WeakPolarHBondContact O-CB 3.18Å; D256-F260 PolarHBondContact O-N 3.18Å |
| 257 | E | 98.4 | Very high | 98 | Very high | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.9 | -45.1 | 173.1 | -174.5 | 63.1 | -145.9 | 0 | 0 | 111.9 | A253 R255 E259 F260 E261 | A253-E257 PolarHBondContact O-N 2.86Å; R255-E257 VanDerWaalsContact C-N 3.35Å; E257-E259 VanDerWaalsContact C-N 3.34Å; E257-E259 PolarHBondContact O-N 3.41Å; E257-F260 WeakPolarHBondContact O-CB 3.41Å; E257-F260 PolarHBondContact O-N 2.79Å; E257-E261 PolarHBondContact O-N 2.78Å |
| 258 | L | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 103.6 Ų | 103.6 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -36 | 177.4 | -70.4 | 172.4 | 0 | 0 | 0 | 112.3 | R254 R255 K262 | R254-L258 HydrophobicContact CG-CD1 4.35Å; R254-L258 VanDerWaalsContact O-CG 3.32Å; R254-L258 WeakPolarHBondContact O-CG 3.22Å; R254-L258 PolarHBondContact O-N 2.86Å; R254-L258 VanDerWaalsContact O-N 3.09Å; R255-L258 PolarHBondContact O-N 3.09Å; L258-K262 VanDerWaalsContact O-CB 3.25Å; L258-K262 WeakPolarHBondContact O-CB 3.25Å; L258-K262 PolarHBondContact O-N 3.48Å |
| 259 | E | 98.2 | Very high | 98.2 | Very high | 122 Ų | 122 | 103.2 Ų | 103.2 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 174.3 | -176 | 164.3 | -147 | 0 | 0 | 111 | R255 D256 E257 K262 E263 | R255-E259 PolarHBondContact O-N 3.09Å; D256-E259 PolarHBondContact O-N 3.25Å; E257-E259 VanDerWaalsContact C-N 3.34Å; E257-E259 PolarHBondContact O-N 3.41Å; E259-K262 PolarHBondContact O-N 2.96Å; E259-E263 WeakPolarHBondContact O-CB 3.5Å; E259-E263 PolarHBondContact O-N 3.03Å |
| 260 | F | 98.4 | Very high | 98.2 | Very high | 118 Ų | 118 | 102.7 Ų | 102.7 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 173.8 | 175.3 | -103.1 | 0 | 0 | 0 | 111.8 | D256 E257 K262 E263 V264 | D256-F260 WeakPolarHBondContact O-CB 3.18Å; D256-F260 PolarHBondContact O-N 3.18Å; E257-F260 WeakPolarHBondContact O-CB 3.41Å; E257-F260 PolarHBondContact O-N 2.79Å; F260-K262 VanDerWaalsContact C-N 3.28Å; F260-K262 PolarHBondContact O-N 2.92Å; F260-E263 PolarHBondContact O-N 2.95Å; F260-E263 VanDerWaalsContact O-N 3.11Å; F260-V264 HydrophobicContact CD1-CG2 4.23Å; F260-V264 HydrophobicContact CD2-CG2 4.27Å; F260-V264 HydrophobicContact CE1-CG2 3.78Å; F260-V264 HydrophobicContact CE2-CG2 3.84Å; F260-V264 HydrophobicContact CG-CG2 4.46Å; F260-V264 HydrophobicContact CZ-CG2 3.57Å; F260-V264 WeakPolarHBondContact O-CG2 3.44Å; F260-V264 PolarHBondContact O-N 2.6Å |
| 261 | E | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 101 Ų | 101 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 179 | -166 | -169.4 | 154.8 | 0 | 0 | 111.5 | E257 V264 K265 | E257-E261 PolarHBondContact O-N 2.78Å; E261-V264 PolarHBondContact O-N 3.46Å; E261-K265 HydrophobicContact CG-CD 4.35Å; E261-K265 WeakPolarHBondContact O-CB 3.33Å; E261-K265 WeakPolarHBondContact O-CG 3.4Å; E261-K265 PolarHBondContact O-N 3.44Å; E261-K265 WeakPolarHBondContact OE1-CE 3.33Å; E261-K265 IonicContact OE1-NZ 3.47Å; E261-K265 PolarHBondContact OE1-NZ 3.37Å |
| 262 | K | 98.4 | Very high | 98.2 | Very high | 137 Ų | 137 | 100.7 Ų | 100.7 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 174.3 | 179 | -175.5 | 175.1 | -173.7 | 0 | 111.7 | L258 E259 F260 K265 N266 | L258-K262 VanDerWaalsContact O-CB 3.25Å; L258-K262 WeakPolarHBondContact O-CB 3.25Å; L258-K262 PolarHBondContact O-N 3.48Å; E259-K262 PolarHBondContact O-N 2.96Å; F260-K262 VanDerWaalsContact C-N 3.28Å; F260-K262 PolarHBondContact O-N 2.92Å; K262-K265 PolarHBondContact O-N 3.47Å; K262-N266 VanDerWaalsContact O-CB 3.31Å; K262-N266 WeakPolarHBondContact O-CB 3.43Å; K262-N266 VanDerWaalsContact O-CG 3.29Å; K262-N266 PolarHBondContact O-N 2.96Å; K262-N266 PolarHBondContact O-ND2 2.59Å |
| 263 | E | 98.4 | Very high | 98.2 | Very high | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 176.8 | -175.3 | 176.9 | -177.5 | 0 | 0 | 111.1 | E259 F260 N266 T267 | E259-E263 WeakPolarHBondContact O-CB 3.5Å; E259-E263 PolarHBondContact O-N 3.03Å; F260-E263 PolarHBondContact O-N 2.95Å; F260-E263 VanDerWaalsContact O-N 3.11Å; E263-N266 PolarHBondContact O-N 3.33Å; E263-T267 VanDerWaalsContact O-CB 3.29Å; E263-T267 WeakPolarHBondContact O-CB 3.17Å; E263-T267 PolarHBondContact O-N 3.05Å; E263-T267 PolarHBondContact O-OG1 3.34Å |
| 264 | V | 98.7 | Very high | 98.1 | Very high | 71 Ų | 71 | 103.9 Ų | 103.9 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 176 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | F260 E261 N266 T267 F268 | F260-V264 HydrophobicContact CD1-CG2 4.23Å; F260-V264 HydrophobicContact CD2-CG2 4.27Å; F260-V264 HydrophobicContact CE1-CG2 3.78Å; F260-V264 HydrophobicContact CE2-CG2 3.84Å; F260-V264 HydrophobicContact CG-CG2 4.46Å; F260-V264 HydrophobicContact CZ-CG2 3.57Å; F260-V264 WeakPolarHBondContact O-CG2 3.44Å; F260-V264 PolarHBondContact O-N 2.6Å; E261-V264 PolarHBondContact O-N 3.46Å; V264-N266 PolarHBondContact O-N 3.09Å; V264-T267 PolarHBondContact O-N 3.3Å; V264-F268 WeakPolarHBondContact O-CB 3.47Å; V264-F268 PolarHBondContact O-N 2.99Å |
| 265 | K | 98.3 | Very high | 98.1 | Very high | 115 Ų | 115 | 98.9 Ų | 98.9 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.6 | -76.9 | 172.2 | 170.4 | 170.1 | 0 | 111.7 | E261 K262 T267 F268 I269 | E261-K265 HydrophobicContact CG-CD 4.35Å; E261-K265 WeakPolarHBondContact O-CB 3.33Å; E261-K265 WeakPolarHBondContact O-CG 3.4Å; E261-K265 PolarHBondContact O-N 3.44Å; E261-K265 WeakPolarHBondContact OE1-CE 3.33Å; E261-K265 IonicContact OE1-NZ 3.47Å; E261-K265 PolarHBondContact OE1-NZ 3.37Å; K262-K265 PolarHBondContact O-N 3.47Å; K265-T267 VanDerWaalsContact C-N 3.33Å; K265-T267 PolarHBondContact O-N 2.89Å; K265-F268 PolarHBondContact O-N 3.45Å; K265-I269 VanDerWaalsContact O-CG1 3.25Å; K265-I269 WeakPolarHBondContact O-CG1 3.31Å; K265-I269 PolarHBondContact O-N 2.93Å |
| 266 | N | 98.1 | Very high | 98 | Very high | 80 Ų | 80 | 97.6 Ų | 97.6 | 43% | 0.428 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 177.2 | -78.9 | -21.5 | 0 | 0 | 0 | 112.5 | K262 E263 V264 I269 T270 | K262-N266 VanDerWaalsContact O-CB 3.31Å; K262-N266 WeakPolarHBondContact O-CB 3.43Å; K262-N266 VanDerWaalsContact O-CG 3.29Å; K262-N266 PolarHBondContact O-N 2.96Å; K262-N266 PolarHBondContact O-ND2 2.59Å; E263-N266 PolarHBondContact O-N 3.33Å; V264-N266 PolarHBondContact O-N 3.09Å; N266-I269 PolarHBondContact O-N 3.3Å; N266-T270 WeakPolarHBondContact O-CB 3.45Å; N266-T270 PolarHBondContact O-N 3.5Å; N266-T270 PolarHBondContact O-OG1 3.12Å |
| 267 | T | 98.4 | Very high | 97.8 | Very high | 85 Ų | 85 | 98.3 Ų | 98.3 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | E263 V264 K265 T270 A271 | E263-T267 VanDerWaalsContact O-CB 3.29Å; E263-T267 WeakPolarHBondContact O-CB 3.17Å; E263-T267 PolarHBondContact O-N 3.05Å; E263-T267 PolarHBondContact O-OG1 3.34Å; V264-T267 PolarHBondContact O-N 3.3Å; K265-T267 VanDerWaalsContact C-N 3.33Å; K265-T267 PolarHBondContact O-N 2.89Å; T267-T270 PolarHBondContact O-N 2.9Å; T267-A271 WeakPolarHBondContact O-CB 3.32Å; T267-A271 PolarHBondContact O-N 3.1Å |
| 268 | F | 98.5 | Very high | 97.7 | Very high | 134 Ų | 134 | 99.7 Ų | 99.7 | 59% | 0.588 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.5 | -47.5 | 175.6 | 176.3 | -99.8 | 0 | 0 | 0 | 112 | V264 K265 T270 A271 L272 | V264-F268 WeakPolarHBondContact O-CB 3.47Å; V264-F268 PolarHBondContact O-N 2.99Å; K265-F268 PolarHBondContact O-N 3.45Å; F268-T270 VanDerWaalsContact C-N 3.29Å; F268-T270 PolarHBondContact O-N 2.92Å; F268-A271 PolarHBondContact O-N 3.31Å; F268-L272 HydrophobicContact CE1-CD2 4.28Å; F268-L272 WeakPolarHBondContact O-CB 3.48Å; F268-L272 PolarHBondContact O-N 3.43Å |
| 269 | I | 97.9 | Very high | 97.4 | Very high | 94 Ų | 94 | 100.6 Ų | 100.6 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 177 | -69 | 163.8 | 0 | 0 | 0 | 110.5 | K265 N266 L272 M273 | K265-I269 VanDerWaalsContact O-CG1 3.25Å; K265-I269 WeakPolarHBondContact O-CG1 3.31Å; K265-I269 PolarHBondContact O-N 2.93Å; N266-I269 PolarHBondContact O-N 3.3Å; I269-L272 PolarHBondContact O-N 3.34Å; I269-M273 WeakPolarHBondContact O-CB 3.37Å; I269-M273 PolarHBondContact O-N 3.05Å |
| 270 | T | 98.1 | Very high | 97.2 | Very high | 83 Ų | 83 | 100.3 Ų | 100.3 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 178.9 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | N266 T267 F268 M273 E274 | N266-T270 WeakPolarHBondContact O-CB 3.45Å; N266-T270 PolarHBondContact O-N 3.5Å; N266-T270 PolarHBondContact O-OG1 3.12Å; T267-T270 PolarHBondContact O-N 2.9Å; F268-T270 VanDerWaalsContact C-N 3.29Å; F268-T270 PolarHBondContact O-N 2.92Å; T270-M273 PolarHBondContact O-N 2.93Å; T270-E274 PolarHBondContact O-N 3.21Å |
| 271 | A | 97.6 | Very high | 96.8 | Very high | 47 Ų | 47 | 101.1 Ų | 101.1 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | T267 F268 M273 E274 V275 | T267-A271 WeakPolarHBondContact O-CB 3.32Å; T267-A271 PolarHBondContact O-N 3.1Å; F268-A271 PolarHBondContact O-N 3.31Å; A271-M273 VanDerWaalsContact C-N 3.34Å; A271-M273 PolarHBondContact O-N 3.28Å; A271-E274 PolarHBondContact O-N 3.46Å; A271-V275 WeakPolarHBondContact O-CG2 3.48Å; A271-V275 PolarHBondContact O-N 2.77Å |
| 272 | L | 98.1 | Very high | 96.3 | Very high | 79 Ų | 79 | 103.8 Ų | 103.8 | 41% | 0.414 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 177.1 | -173.2 | 67.9 | 0 | 0 | 0 | 111.1 | F268 I269 E274 V275 Q276 | F268-L272 HydrophobicContact CE1-CD2 4.28Å; F268-L272 WeakPolarHBondContact O-CB 3.48Å; F268-L272 PolarHBondContact O-N 3.43Å; I269-L272 PolarHBondContact O-N 3.34Å; L272-E274 VanDerWaalsContact C-N 3.33Å; L272-E274 PolarHBondContact O-N 3.43Å; L272-V275 PolarHBondContact O-N 3.49Å; L272-Q276 WeakPolarHBondContact O-CG 3.3Å; L272-Q276 PolarHBondContact O-N 2.88Å |
| 273 | M | 97 | Very high | 95.8 | Very high | 104 Ų | 104 | 104.9 Ų | 104.9 | 51% | 0.512 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 177.4 | -169.3 | 168.9 | 57.4 | 0 | 0 | 111.8 | I269 T270 A271 Q276 N277 | I269-M273 WeakPolarHBondContact O-CB 3.37Å; I269-M273 PolarHBondContact O-N 3.05Å; T270-M273 PolarHBondContact O-N 2.93Å; A271-M273 VanDerWaalsContact C-N 3.34Å; A271-M273 PolarHBondContact O-N 3.28Å; M273-Q276 PolarHBondContact O-N 2.93Å; M273-N277 VanDerWaalsContact O-CB 3.32Å; M273-N277 WeakPolarHBondContact O-CB 3.25Å; M273-N277 PolarHBondContact O-N 2.94Å |
| 274 | E | 97.3 | Very high | 95.1 | Very high | 96 Ų | 96 | 102.4 Ų | 102.4 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 174 | -167.1 | -173 | 170.5 | 0 | 0 | 112 | T270 A271 L272 Q276 N277 R278 | T270-E274 PolarHBondContact O-N 3.21Å; A271-E274 PolarHBondContact O-N 3.46Å; L272-E274 VanDerWaalsContact C-N 3.33Å; L272-E274 PolarHBondContact O-N 3.43Å; E274-Q276 VanDerWaalsContact C-N 3.34Å; E274-Q276 PolarHBondContact O-N 3.42Å; E274-N277 PolarHBondContact O-N 3.33Å; E274-R278 WeakPolarHBondContact O-CB 3.46Å; E274-R278 WeakPolarHBondContact O-CG 3.34Å; E274-R278 PolarHBondContact O-N 3.2Å; E274-R278 IonicContact OE1-CZ 2.77Å; E274-R278 IonicContact OE1-NE 3.17Å; E274-R278 PolarHBondContact OE1-NE 2.94Å; E274-R278 IonicContact OE1-NH2 3.04Å; E274-R278 PolarHBondContact OE1-NH2 3.21Å |
| 275 | V | 97.4 | Very high | 94.1 | Very high | 75 Ų | 75 | 102 Ų | 102 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | A271 L272 R278 Q279 | A271-V275 WeakPolarHBondContact O-CG2 3.48Å; A271-V275 PolarHBondContact O-N 2.77Å; L272-V275 PolarHBondContact O-N 3.49Å; V275-R278 PolarHBondContact O-N 3.37Å; V275-Q279 WeakPolarHBondContact O-CG 3.32Å; V275-Q279 PolarHBondContact O-N 2.92Å |
| 276 | Q | 96.1 | Very high | 92.7 | Very high | 114 Ų | 114 | 100 Ų | 100 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 177 | -72.1 | -176.8 | -4.4 | 0 | 0 | 112.1 | L272 M273 E274 Q279 K280 | L272-Q276 WeakPolarHBondContact O-CG 3.3Å; L272-Q276 PolarHBondContact O-N 2.88Å; M273-Q276 PolarHBondContact O-N 2.93Å; E274-Q276 VanDerWaalsContact C-N 3.34Å; E274-Q276 PolarHBondContact O-N 3.42Å; Q276-Q279 PolarHBondContact O-N 3.45Å; Q276-K280 WeakPolarHBondContact O-CB 3.42Å; Q276-K280 PolarHBondContact O-N 3.24Å |
| 277 | N | 94.9 | Very high | 91.6 | Very high | 93 Ų | 93 | 101.6 Ų | 101.6 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.6 | -84.4 | -21.1 | 0 | 0 | 0 | 111.9 | M273 E274 Q279 K280 E281 | M273-N277 VanDerWaalsContact O-CB 3.32Å; M273-N277 WeakPolarHBondContact O-CB 3.25Å; M273-N277 PolarHBondContact O-N 2.94Å; E274-N277 PolarHBondContact O-N 3.33Å; N277-Q279 PolarHBondContact O-N 3.44Å; N277-K280 PolarHBondContact O-N 3.02Å; N277-E281 WeakPolarHBondContact O-CB 3.49Å; N277-E281 PolarHBondContact O-N 3.07Å |
| 278 | R | 94.6 | Very high | 90.2 | Very high | 150 Ų | 150 | 106.4 Ų | 106.4 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 174.6 | -73.8 | -179 | -177.1 | -159 | 2.6 | 111.8 | E274 V275 E281 Q282 | E274-R278 WeakPolarHBondContact O-CB 3.46Å; E274-R278 WeakPolarHBondContact O-CG 3.34Å; E274-R278 PolarHBondContact O-N 3.2Å; E274-R278 IonicContact OE1-CZ 2.77Å; E274-R278 IonicContact OE1-NE 3.17Å; E274-R278 PolarHBondContact OE1-NE 2.94Å; E274-R278 IonicContact OE1-NH2 3.04Å; E274-R278 PolarHBondContact OE1-NH2 3.21Å; V275-R278 PolarHBondContact O-N 3.37Å; R278-E281 PolarHBondContact O-N 3.44Å; R278-Q282 WeakPolarHBondContact O-CG 3.45Å; R278-Q282 PolarHBondContact O-N 3.06Å |
| 279 | Q | 93.1 | Very high | 88.6 | Confident | 112 Ų | 112 | 107.5 Ų | 107.5 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 175.3 | -75.3 | -173 | 19.1 | 0 | 0 | 112.2 | V275 Q276 N277 Q282 R283 | V275-Q279 WeakPolarHBondContact O-CG 3.32Å; V275-Q279 PolarHBondContact O-N 2.92Å; Q276-Q279 PolarHBondContact O-N 3.45Å; N277-Q279 PolarHBondContact O-N 3.44Å; Q279-Q282 PolarHBondContact O-N 3.49Å; Q279-R283 PolarHBondContact O-N 2.96Å |
| 280 | K | 93 | Very high | 86.8 | Confident | 116 Ų | 116 | 113 Ų | 113 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 174.7 | -175.4 | 179.4 | 177.4 | -178 | 0 | 110.7 | Q276 N277 Q282 R283 D284 | Q276-K280 WeakPolarHBondContact O-CB 3.42Å; Q276-K280 PolarHBondContact O-N 3.24Å; N277-K280 PolarHBondContact O-N 3.02Å; K280-Q282 VanDerWaalsContact C-N 3.34Å; K280-Q282 PolarHBondContact O-N 3.01Å; K280-R283 PolarHBondContact O-N 2.72Å; K280-D284 WeakPolarHBondContact O-CB 3.21Å; K280-D284 PolarHBondContact O-N 3.49Å |
| 281 | E | 90.7 | Very high | 85 | Confident | 136 Ų | 136 | 117.6 Ų | 117.6 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -39 | 175.9 | -171.6 | 176.6 | -163.5 | 0 | 0 | 112.2 | N277 R278 D284 S285 | N277-E281 WeakPolarHBondContact O-CB 3.49Å; N277-E281 PolarHBondContact O-N 3.07Å; R278-E281 PolarHBondContact O-N 3.44Å; E281-D284 PolarHBondContact O-N 2.93Å; E281-S285 WeakPolarHBondContact O-CB 3.49Å; E281-S285 PolarHBondContact O-N 3.23Å; E281-S285 PolarHBondContact O-OG 3.24Å |
| 282 | Q | 88.3 | Confident | 83.1 | Confident | 138 Ų | 138 | 120 Ų | 120 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 173.4 | -76 | -164.6 | 17.3 | 0 | 0 | 112.6 | R278 Q279 K280 S285 S286 | R278-Q282 WeakPolarHBondContact O-CG 3.45Å; R278-Q282 PolarHBondContact O-N 3.06Å; Q279-Q282 PolarHBondContact O-N 3.49Å; K280-Q282 VanDerWaalsContact C-N 3.34Å; K280-Q282 PolarHBondContact O-N 3.01Å; Q282-S285 WeakPolarHBondContact CA-OG 3.49Å; Q282-S285 PolarHBondContact O-OG 3.17Å; Q282-S285 VanDerWaalsContact O-OG 3.05Å; Q282-S286 VanDerWaalsContact O-CB 3.31Å; Q282-S286 WeakPolarHBondContact O-CB 3.46Å; Q282-S286 PolarHBondContact O-N 3.27Å; Q282-S286 VanDerWaalsContact O-N 3.1Å; Q282-S286 PolarHBondContact O-OG 3.44Å |
| 283 | R | 86.6 | Confident | 81.1 | Confident | 159 Ų | 159 | 123.5 Ų | 123.5 | 60% | 0.6 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.4 | -40.8 | 174.3 | -77.9 | -169.4 | -71.2 | 151.6 | -4 | 111.8 | Q279 K280 K287 | Q279-R283 PolarHBondContact O-N 2.96Å; K280-R283 PolarHBondContact O-N 2.72Å; R283-K287 WeakPolarHBondContact O-CG 3.32Å; R283-K287 PolarHBondContact O-N 2.88Å |
| 284 | D | 84.9 | Confident | 79.1 | Confident | 70 Ų | 70 | 121.5 Ų | 121.5 | 37% | 0.374 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -78.3 | -36.8 | -176.8 | -70.8 | -21.6 | 0 | 0 | 0 | 112.9 | K280 E281 S286 K287 R288 | K280-D284 WeakPolarHBondContact O-CB 3.21Å; K280-D284 PolarHBondContact O-N 3.49Å; E281-D284 PolarHBondContact O-N 2.93Å; D284-S286 VanDerWaalsContact C-N 3.33Å; D284-S286 PolarHBondContact O-N 2.94Å; D284-K287 PolarHBondContact O-N 2.91Å; D284-K287 IonicContact OD1-NZ 2.66Å; D284-K287 PolarHBondContact OD1-NZ 3.47Å; D284-R288 PolarHBondContact O-N 3.16Å |
| 285 | S | 77 | Confident | 77.2 | Confident | 62 Ų | 62 | 123 Ų | 123 | 43% | 0.434 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.1 | -36.5 | 171.3 | 59.3 | 0 | 0 | 0 | 0 | 112 | E281 Q282 R288 K289 | E281-S285 WeakPolarHBondContact O-CB 3.49Å; E281-S285 PolarHBondContact O-N 3.23Å; E281-S285 PolarHBondContact O-OG 3.24Å; Q282-S285 WeakPolarHBondContact CA-OG 3.49Å; Q282-S285 PolarHBondContact O-OG 3.17Å; Q282-S285 VanDerWaalsContact O-OG 3.05Å; S285-R288 PolarHBondContact O-N 3.12Å; S285-K289 WeakPolarHBondContact O-CB 3.35Å; S285-K289 PolarHBondContact O-N 3.12Å |
| 286 | S | 69.5 | Low | 75.1 | Confident | 73 Ų | 73 | 124.2 Ų | 124.2 | 51% | 0.51 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.5 | -38.7 | 173.3 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | Q282 D284 R290 | Q282-S286 VanDerWaalsContact O-CB 3.31Å; Q282-S286 WeakPolarHBondContact O-CB 3.46Å; Q282-S286 PolarHBondContact O-N 3.27Å; Q282-S286 VanDerWaalsContact O-N 3.1Å; Q282-S286 PolarHBondContact O-OG 3.44Å; D284-S286 VanDerWaalsContact C-N 3.33Å; D284-S286 PolarHBondContact O-N 2.94Å; S286-R290 PolarHBondContact O-N 3.31Å |
| 287 | K | 73.8 | Confident | 73.2 | Confident | 113 Ų | 113 | 125.9 Ų | 125.9 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.9 | -39.3 | 174.7 | -69 | 168.4 | -171.2 | 167.3 | 0 | 111.9 | R283 D284 R290 R291 | R283-K287 WeakPolarHBondContact O-CG 3.32Å; R283-K287 PolarHBondContact O-N 2.88Å; D284-K287 PolarHBondContact O-N 2.91Å; D284-K287 IonicContact OD1-NZ 2.66Å; D284-K287 PolarHBondContact OD1-NZ 3.47Å; K287-R290 PolarHBondContact O-N 2.7Å; K287-R291 PolarHBondContact O-N 3.44Å |
| 288 | R | 70.8 | Confident | 71 | Confident | 186 Ų | 186 | 129.9 Ų | 129.9 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62 | -48.6 | 174.8 | -110.6 | 174.3 | 149.9 | 163 | -6.1 | 111.7 | D284 S285 R290 R291 D292 | D284-R288 PolarHBondContact O-N 3.16Å; S285-R288 PolarHBondContact O-N 3.12Å; R288-R290 PolarHBondContact O-N 2.82Å; R288-R291 WeakPolarHBondContact O-CA 3.22Å; R288-R291 WeakPolarHBondContact O-CB 3.41Å; R288-R291 PolarHBondContact O-N 2.86Å; R288-D292 PolarHBondContact O-N 3.37Å |
| 289 | K | 64 | Low | 68.5 | Low | 157 Ų | 157 | 126.1 Ų | 126.1 | 68% | 0.683 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.4 | -30.8 | 179.1 | -165.1 | 169.5 | -178.8 | 176 | 0 | 113.3 | S285 K293 | S285-K289 WeakPolarHBondContact O-CB 3.35Å; S285-K289 PolarHBondContact O-N 3.12Å; K289-K293 WeakPolarHBondContact O-CB 3.24Å; K289-K293 PolarHBondContact O-N 3.16Å |
| 290 | R | 60.4 | Low | 66.3 | Low | 210 Ų | 210 | 124.6 Ų | 124.6 | 79% | 0.792 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.2 | -37.6 | 171.7 | -77.4 | -173.5 | 178.3 | -173.4 | 1 | 113 | S286 K287 R288 A294 | S286-R290 PolarHBondContact O-N 3.31Å; K287-R290 PolarHBondContact O-N 2.7Å; R288-R290 PolarHBondContact O-N 2.82Å; R290-A294 PolarHBondContact O-N 2.81Å |
| 291 | R | 59.6 | Low | 64 | Low | 179 Ų | 179 | 122.2 Ų | 122.2 | 68% | 0.675 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.2 | -41.6 | 174.4 | -87.8 | -171.3 | -129.2 | 170.8 | 1 | 112.4 | K287 R288 K293 A294 L295 | K287-R291 PolarHBondContact O-N 3.44Å; R288-R291 WeakPolarHBondContact O-CA 3.22Å; R288-R291 WeakPolarHBondContact O-CB 3.41Å; R288-R291 PolarHBondContact O-N 2.86Å; R291-K293 VanDerWaalsContact C-N 3.3Å; R291-K293 PolarHBondContact O-N 3.29Å; R291-A294 PolarHBondContact O-N 2.96Å; R291-A294 VanDerWaalsContact O-N 3.16Å; R291-L295 WeakPolarHBondContact O-CG 3.48Å; R291-L295 PolarHBondContact O-N 3.44Å |
| 292 | D | 58.4 | Low | 61.6 | Low | 98 Ų | 98 | 122.8 Ų | 122.8 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67.2 | -32.6 | 178.9 | -62.9 | -39.3 | 0 | 0 | 0 | 112 | R288 S296 | R288-D292 PolarHBondContact O-N 3.37Å; D292-S296 WeakPolarHBondContact O-CB 2.96Å; D292-S296 PolarHBondContact O-N 2.9Å; D292-S296 VanDerWaalsContact O-N 3.1Å |
| 293 | K | 56.6 | Low | 59.2 | Low | 152 Ų | 152 | 121 Ų | 121 | 66% | 0.661 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.9 | -32.8 | 173.2 | -142.9 | 83.9 | 172.8 | -176.6 | 0 | 112.8 | K289 R291 | K289-K293 WeakPolarHBondContact O-CB 3.24Å; K289-K293 PolarHBondContact O-N 3.16Å; R291-K293 VanDerWaalsContact C-N 3.3Å; R291-K293 PolarHBondContact O-N 3.29Å |
| 294 | A | 55.2 | Low | 57.4 | Low | 62 Ų | 62 | 119 Ų | 119 | 51% | 0.512 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -76.6 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R290 R291 L297 | R290-A294 PolarHBondContact O-N 2.81Å; R291-A294 PolarHBondContact O-N 2.96Å; R291-A294 VanDerWaalsContact O-N 3.16Å; A294-L297 PolarHBondContact O-N 3.24Å |
| 295 | L | 55.9 | Low | 55.1 | Low | 127 Ų | 127 | 120.2 Ų | 120.2 | 67% | 0.665 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -74.5 | -28.2 | 176.4 | -68.7 | 168.4 | 0 | 0 | 0 | 112.9 | R291 L297 | R291-L295 WeakPolarHBondContact O-CG 3.48Å; R291-L295 PolarHBondContact O-N 3.44Å; L295-L297 VanDerWaalsContact C-N 3.3Å; L295-L297 PolarHBondContact O-N 3.12Å |
| 296 | S | 54.5 | Low | 53.1 | Low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -17.7 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 114 | D292 | D292-S296 WeakPolarHBondContact O-CB 2.96Å; D292-S296 PolarHBondContact O-N 2.9Å; D292-S296 VanDerWaalsContact O-N 3.1Å |
| 297 | L | 54.6 | Low | 51.3 | Low | 149 Ų | 149 | 125.5 Ų | 125.5 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -12.5 | 177.1 | -85.3 | 160.3 | 0 | 0 | 0 | 113.2 | A294 L295 | A294-L297 PolarHBondContact O-N 3.24Å; L295-L297 VanDerWaalsContact C-N 3.3Å; L295-L297 PolarHBondContact O-N 3.12Å |
| 298 | Q | 49.8 | Very low | 49.3 | Very low | 176 Ų | 176 | 123.7 Ų | 123.7 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -108.7 | 30.8 | 179.4 | -157.4 | 76.1 | 49.5 | 0 | 0 | 111.9 | ||
| 299 | G | 42.4 | Very low | 47.5 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | -122.2 | 38.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 300 | G | 45.6 | Very low | 46 | Very low | 80 Ų | 80 | 117.9 Ų | 117.9 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -135.5 | 76.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 301 | G | 46.3 | Very low | 44.7 | Very low | 65 Ų | 65 | 112.5 Ų | 112.5 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | trans | -162.7 | 106.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 302 | T | 38.9 | Very low | 43.5 | Very low | 149 Ų | 149 | 109.8 Ų | 109.8 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | trans | 80.8 | 99.8 | 158.6 | 71.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 303 | A | 38 | Very low | 42.5 | Very low | 99 Ų | 99 | 111.1 Ų | 111.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | -161.8 | 152.6 | 121.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 304 | P | 48.5 | Very low | 41.3 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -106.4 | 163.2 | -144.3 | 38.4 | -31.2 | 0 | 0 | 0 | 115.8 | ||||
| 305 | S | 38 | Very low | 40.5 | Very low | 97 Ų | 97 | 113.4 Ų | 113.4 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | 40.4 | 113.4 | 147.8 | 65.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 306 | N | 34.5 | Very low | 39.5 | Very low | 166 Ų | 166 | 116.6 Ų | 116.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | 178.5 | 134.9 | 99.2 | -109.5 | -9.4 | 0 | 0 | 0 | 113.1 | |||||
| 307 | G | 31.1 | Very low | 38.7 | Very low | 80 Ų | 80 | 118.2 Ų | 118.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 99.8 | 110.4 | 135.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 308 | G | 31.9 | Very low | 37.7 | Very low | 75 Ų | 75 | 114.9 Ų | 114.9 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 108.3 | 84.2 | 132.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 309 | S | 32.9 | Very low | 37.1 | Very low | 124 Ų | 124 | 112.9 Ų | 112.9 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | 25.1 | 138.1 | 131.4 | -51.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 310 | A | 32.3 | Very low | 37 | Very low | 97 Ų | 97 | 117.8 Ų | 117.8 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | 108.4 | 100.2 | 136 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 311 | A | 34.4 | Very low | 36.9 | Very low | 96 Ų | 96 | 119.6 Ų | 119.6 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | 25.6 | 127.9 | 131.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 312 | S | 34.4 | Very low | 37.1 | Very low | 122 Ų | 122 | 123 Ų | 123 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | 172.7 | 144.1 | 105.5 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 313 | S | 36.4 | Very low | 37.3 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | trans | -59.7 | 145.7 | 171 | 152.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 314 | G | 31.4 | Very low | 37.5 | Very low | 73 Ų | 73 | 131.4 Ų | 131.4 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -175.9 | 81.2 | 171 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 315 | Q | 38 | Very low | 37.2 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -60.7 | 131.2 | 165.6 | -169.4 | 179.9 | 82.8 | 0 | 0 | 110.9 | ||||
| 316 | K | 35.8 | Very low | 37.6 | Very low | 195 Ų | 195 | 135 Ų | 135 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -164.7 | 106.7 | 161.2 | -108 | 166.9 | -171.7 | -177.2 | 0 | 112.9 | ||||
| 317 | T | 37.3 | Very low | 38.4 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | 23.8 | 112.5 | 135.8 | 59.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 318 | G | 33.7 | Very low | 39.6 | Very low | 79 Ų | 79 | 137 Ų | 137 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -130.3 | 110.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 319 | T | 37.5 | Very low | 40.4 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -62.9 | 134.5 | -176.9 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | P321 | T319-P321 WeakPolarHBondContact O-CD 3.32Š| ||
| 320 | M | 40.2 | Very low | 41.1 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | trans | -68.6 | 123.7 | 166.9 | -69.9 | -79.4 | -77.3 | 0 | 0 | 110.1 | V322 | M320-V322 PolarHBondContact O-N 2.84Š| ||
| 321 | P | 44.1 | Very low | 41.8 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -83.4 | 110.4 | 166 | 30.5 | -25.2 | 0 | 0 | 0 | 108.9 | T319 K323 | T319-P321 WeakPolarHBondContact O-CD 3.32Å; P321-K323 VanDerWaalsContact C-N 3.34Å; P321-K323 PolarHBondContact O-N 3.43Å | ||
| 322 | V | 50.2 | Low | 42.5 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -62.2 | 95.5 | 163 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | M320 R324 | M320-V322 PolarHBondContact O-N 2.84Å; V322-R324 PolarHBondContact O-N 3.22Å | ||
| 323 | K | 43.2 | Very low | 43.2 | Very low | 199 Ų | 199 | 132.9 Ų | 132.9 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | trans | -90.7 | 104.1 | 172.8 | -146.5 | 166.1 | -175.1 | 174.8 | 0 | 107.6 | P321 F325 | P321-K323 VanDerWaalsContact C-N 3.34Å; P321-K323 PolarHBondContact O-N 3.43Å; K323-F325 PolarHBondContact O-N 3.04Å | ||
| 324 | R | 41.4 | Very low | 43.9 | Very low | 226 Ų | 226 | 133.1 Ų | 133.1 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | -43.3 | 132.5 | 174 | -56.8 | -180 | -170 | 160.8 | 1.5 | 109.6 | V322 S326 | V322-R324 PolarHBondContact O-N 3.22Å; R324-S326 PolarHBondContact O-N 3.49Å | ||
| 325 | F | 42.2 | Very low | 44.8 | Very low | 216 Ų | 216 | 135.8 Ų | 135.8 | 95% | 0.947 | 72% | 0.718 | S | S | * | * | trans | -51 | 109.2 | 164.6 | -78.5 | -90.1 | 0 | 0 | 0 | 107.9 | K323 | K323-F325 PolarHBondContact O-N 3.04Š| ||
| 326 | S | 46.9 | Very low | 45.3 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 52% | 0.517 | 70% | 0.697 | S | S | . | * | trans | -82.9 | 130.8 | 173.2 | 88.7 | 0 | 0 | 0 | 0 | 108 | R324 E328 | R324-S326 PolarHBondContact O-N 3.49Å; S326-E328 WeakPolarHBondContact CB-OE2 3.44Å; S326-E328 PolarHBondContact O-N 2.71Å; S326-E328 VanDerWaalsContact O-N 3.13Å; S326-E328 PolarHBondContact OG-OE2 3.39Å | ||
| 327 | M | 51.1 | Low | 45.5 | Very low | 161 Ų | 161 | 122.7 Ų | 122.7 | 79% | 0.793 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 19.1 | -169.9 | -161.2 | 166.8 | 67.9 | 0 | 0 | 111.5 | G329 | M327-G329 VanDerWaalsContact C-N 3.33Š|
| 328 | E | 56.5 | Low | 46.2 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 59% | 0.589 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -10.2 | 174.3 | -56.2 | 92.3 | -128.4 | 0 | 0 | 112.3 | S326 L330 S331 | S326-E328 WeakPolarHBondContact CB-OE2 3.44Å; S326-E328 PolarHBondContact O-N 2.71Å; S326-E328 VanDerWaalsContact O-N 3.13Å; S326-E328 PolarHBondContact OG-OE2 3.39Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 3.45Å; E328-S331 PolarHBondContact O-N 3.27Å |
| 329 | G | 48.4 | Very low | 46.9 | Very low | 40 Ų | 40 | 126.5 Ų | 126.5 | 41% | 0.412 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.4 | -26.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M327 I333 | M327-G329 VanDerWaalsContact C-N 3.33Å; G329-I333 WeakPolarHBondContact O-CD1 3.48Å; G329-I333 WeakPolarHBondContact O-CG1 3.23Å; G329-I333 PolarHBondContact O-N 2.95Å |
| 330 | L | 48.5 | Very low | 47.4 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 59% | 0.586 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.4 | -25.7 | 177.7 | -61.4 | 176.5 | 0 | 0 | 0 | 112.5 | E328 I333 L334 | E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 3.45Å; L330-I333 HydrophobicContact CD2-CD1 4.12Å; L330-I333 PolarHBondContact O-N 2.92Å; L330-L334 PolarHBondContact O-N 3.32Å; L330-L334 VanDerWaalsContact O-N 3.13Å |
| 331 | S | 47.2 | Very low | 47.6 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 49% | 0.49 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.9 | -38.1 | 177.8 | -169.7 | 0 | 0 | 0 | 0 | 111.5 | E328 I333 L334 Q335 | E328-S331 PolarHBondContact O-N 3.27Å; S331-I333 VanDerWaalsContact C-N 3.33Å; S331-I333 PolarHBondContact O-N 3.23Å; S331-L334 PolarHBondContact O-N 2.91Å; S331-Q335 PolarHBondContact O-N 3.37Å; S331-Q335 VanDerWaalsContact O-N 3.07Å |
| 332 | N | 48.7 | Very low | 47.8 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.6 | -31.8 | 171.8 | -77.8 | -39.8 | 0 | 0 | 0 | 112.3 | L334 Q335 T336 | N332-L334 VanDerWaalsContact C-N 3.34Å; N332-Q335 PolarHBondContact O-N 2.91Å; N332-T336 WeakPolarHBondContact O-CB 3.46Å; N332-T336 PolarHBondContact O-N 3.48Å; N332-T336 PolarHBondContact O-OG1 3.01Å |
| 333 | I | 49.4 | Very low | 47.3 | Very low | 109 Ų | 109 | 118.8 Ų | 118.8 | 56% | 0.559 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.5 | -34.6 | 177.3 | -69.4 | 162 | 0 | 0 | 0 | 111.1 | G329 L330 S331 G337 | G329-I333 WeakPolarHBondContact O-CD1 3.48Å; G329-I333 WeakPolarHBondContact O-CG1 3.23Å; G329-I333 PolarHBondContact O-N 2.95Å; L330-I333 HydrophobicContact CD2-CD1 4.12Å; L330-I333 PolarHBondContact O-N 2.92Å; S331-I333 VanDerWaalsContact C-N 3.33Å; S331-I333 PolarHBondContact O-N 3.23Å; I333-G337 WeakPolarHBondContact O-CA 3.26Å; I333-G337 PolarHBondContact O-N 3.37Å |
| 334 | L | 49.6 | Very low | 47.5 | Very low | 132 Ų | 132 | 114.9 Ų | 114.9 | 69% | 0.691 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.6 | -37.4 | 173.8 | -71.9 | 165 | 0 | 0 | 0 | 112.7 | L330 S331 N332 I338 | L330-L334 PolarHBondContact O-N 3.32Å; L330-L334 VanDerWaalsContact O-N 3.13Å; S331-L334 PolarHBondContact O-N 2.91Å; N332-L334 VanDerWaalsContact C-N 3.34Å; L334-I338 PolarHBondContact O-N 2.91Å |
| 335 | Q | 51.8 | Low | 47.6 | Very low | 128 Ų | 128 | 109.2 Ų | 109.2 | 60% | 0.598 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.3 | -32.3 | 173 | -79.3 | -175.9 | 3.2 | 0 | 0 | 113.2 | S331 N332 | S331-Q335 PolarHBondContact O-N 3.37Å; S331-Q335 VanDerWaalsContact O-N 3.07Å; N332-Q335 PolarHBondContact O-N 2.91Å |
| 336 | T | 46.8 | Very low | 48 | Very low | 73 Ų | 73 | 101.9 Ų | 101.9 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -86 | -28 | 178.8 | -42.8 | 0 | 0 | 0 | 0 | 111.7 | N332 I338 R339 Q340 | N332-T336 WeakPolarHBondContact O-CB 3.46Å; N332-T336 PolarHBondContact O-N 3.48Å; N332-T336 PolarHBondContact O-OG1 3.01Å; T336-I338 VanDerWaalsContact C-N 3.33Å; T336-I338 PolarHBondContact O-N 2.82Å; T336-R339 CarbonylContact O-C 3.51Å; T336-R339 WeakPolarHBondContact O-CA 3.3Å; T336-R339 PolarHBondContact O-N 3.13Å; T336-R339 VanDerWaalsContact O-N 3.09Å; T336-Q340 WeakPolarHBondContact O-CG 3.33Å; T336-Q340 PolarHBondContact O-N 2.92Å |
| 337 | G | 41.7 | Very low | 47.9 | Very low | 36 Ų | 36 | 106.6 Ų | 106.6 | 37% | 0.371 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.4 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I333 Q340 T341 | I333-G337 WeakPolarHBondContact O-CA 3.26Å; I333-G337 PolarHBondContact O-N 3.37Å; G337-Q340 PolarHBondContact O-N 2.79Å; G337-T341 PolarHBondContact O-N 3.09Å |
| 338 | I | 50.3 | Low | 47.6 | Very low | 110 Ų | 110 | 106.6 Ų | 106.6 | 56% | 0.564 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.2 | -37.2 | 171.7 | -63.1 | 168.7 | 0 | 0 | 0 | 110.4 | L334 T336 Q340 T341 F342 | L334-I338 PolarHBondContact O-N 2.91Å; T336-I338 VanDerWaalsContact C-N 3.33Å; T336-I338 PolarHBondContact O-N 2.82Å; I338-Q340 VanDerWaalsContact C-N 3.31Å; I338-Q340 PolarHBondContact O-N 2.89Å; I338-T341 PolarHBondContact O-N 3.39Å; I338-T341 PolarHBondContact O-OG1 3.46Å; I338-F342 HydrophobicContact CG2-CD2 3.9Å; I338-F342 HydrophobicContact CG2-CE2 4Å; I338-F342 WeakPolarHBondContact O-CD2 3.45Å; I338-F342 PolarHBondContact O-N 2.89Å |
| 339 | R | 48.3 | Very low | 47.5 | Very low | 186 Ų | 186 | 109 Ų | 109 | 70% | 0.702 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.9 | -24.3 | 174 | -78.3 | -175.3 | 166.8 | -83.8 | 0.3 | 113.9 | T336 F342 G343 | T336-R339 CarbonylContact O-C 3.51Å; T336-R339 WeakPolarHBondContact O-CA 3.3Å; T336-R339 PolarHBondContact O-N 3.13Å; T336-R339 VanDerWaalsContact O-N 3.09Å; R339-F342 CarbonylContact O-C 3.33Å; R339-F342 PolarHBondContact O-N 3.34Å; R339-G343 PolarHBondContact O-N 2.93Å |
| 340 | Q | 49.5 | Very low | 47.9 | Very low | 154 Ų | 154 | 112.6 Ų | 112.6 | 72% | 0.72 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.6 | -18.2 | 177.7 | -74.4 | -78.3 | 25 | 0 | 0 | 113.2 | T336 G337 I338 F342 | T336-Q340 WeakPolarHBondContact O-CG 3.33Å; T336-Q340 PolarHBondContact O-N 2.92Å; G337-Q340 PolarHBondContact O-N 2.79Å; I338-Q340 VanDerWaalsContact C-N 3.31Å; I338-Q340 PolarHBondContact O-N 2.89Å; Q340-F342 VanDerWaalsContact C-N 3.33Å |
| 341 | T | 44.6 | Very low | 48.1 | Very low | 106 Ų | 106 | 117 Ų | 117 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -87.5 | -6.7 | 164.4 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | G337 I338 | G337-T341 PolarHBondContact O-N 3.09Å; I338-T341 PolarHBondContact O-N 3.39Å; I338-T341 PolarHBondContact O-OG1 3.46Å |
| 342 | F | 46.5 | Very low | 48.6 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 46% | 0.461 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -128.4 | 64.2 | 175.9 | -61.7 | -65.8 | 0 | 0 | 0 | 110.3 | I338 R339 Q340 T354 | I338-F342 HydrophobicContact CG2-CD2 3.9Å; I338-F342 HydrophobicContact CG2-CE2 4Å; I338-F342 WeakPolarHBondContact O-CD2 3.45Å; I338-F342 PolarHBondContact O-N 2.89Å; R339-F342 CarbonylContact O-C 3.33Å; R339-F342 PolarHBondContact O-N 3.34Å; Q340-F342 VanDerWaalsContact C-N 3.33Å; F342-T354 HydrophobicContact CE1-CG2 4.08Å |
| 343 | G | 41.6 | Very low | 49.1 | Very low | 34 Ų | 34 | 119.5 Ų | 119.5 | 35% | 0.351 | 63% | 0.628 | S | S | . | * | trans | 52.8 | 104.1 | 144.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | R339 | R339-G343 PolarHBondContact O-N 2.93Š| ||
| 344 | S | 46.9 | Very low | 49.8 | Very low | 117 Ų | 117 | 116 Ų | 116 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | trans | -145.1 | 83.2 | 156.7 | -158.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 345 | T | 43 | Very low | 50.7 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 66% | 0.656 | 62% | 0.615 | S | S | * | * | trans | -141.1 | 120.1 | 154.1 | 44.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 346 | G | 50.3 | Low | 51.9 | Low | 62 Ų | 62 | 111.3 Ų | 111.3 | 64% | 0.639 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 145.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 347 | N | 45.2 | Very low | 53 | Low | 173 Ų | 173 | 110.3 Ų | 110.3 | 93% | 0.925 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.1 | -2.4 | 158.5 | -37.7 | -22.2 | 0 | 0 | 0 | 117.5 | ||
| 348 | E | 44.2 | Very low | 54.5 | Low | 161 Ų | 161 | 116.3 Ų | 116.3 | 75% | 0.752 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -105.9 | 131.1 | 169.3 | -70.9 | 179.7 | 179.2 | 0 | 0 | 109.7 | Q350 | E348-Q350 VanDerWaalsContact C-N 3.34Å; E348-Q350 PolarHBondContact O-N 2.97Å |
| 349 | K | 54.8 | Low | 55.5 | Low | 177 Ų | 177 | 115.7 Ų | 115.7 | 77% | 0.77 | 60% | 0.597 | S | S | * | * | trans | -64 | 97.6 | 174.2 | -66.2 | -179.4 | -178.8 | -179.2 | 0 | 107.5 | Y351 | K349-Y351 WeakPolarHBondContact O-CD2 3.38Å; K349-Y351 PolarHBondContact O-N 3.03Å | ||
| 350 | Q | 56.3 | Low | 56.4 | Low | 115 Ų | 115 | 115.9 Ų | 115.9 | 54% | 0.537 | 60% | 0.603 | S | S | . | * | trans | -68.5 | 100.7 | 176.9 | -70.7 | 178.1 | -15.2 | 0 | 0 | 108.4 | E348 L352 | E348-Q350 VanDerWaalsContact C-N 3.34Å; E348-Q350 PolarHBondContact O-N 2.97Å; Q350-L352 PolarHBondContact O-N 2.9Å; Q350-L352 VanDerWaalsContact O-N 3.09Å | ||
| 351 | Y | 52.3 | Low | 57.3 | Low | 205 Ų | 205 | 112.7 Ų | 112.7 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | trans | -64.1 | 112.3 | 172.3 | -61 | -78.8 | 0 | 0 | 0 | 108.4 | K349 N353 | K349-Y351 WeakPolarHBondContact O-CD2 3.38Å; K349-Y351 PolarHBondContact O-N 3.03Å; Y351-N353 PolarHBondContact O-N 2.95Å | ||
| 352 | L | 59.7 | Low | 58.2 | Low | 72 Ų | 72 | 115 Ų | 115 | 38% | 0.377 | 60% | 0.601 | S | S | . | * | trans | -65.6 | 104.4 | 176.5 | -171.6 | 78.1 | 0 | 0 | 0 | 108.6 | Q350 T354 M380 V387 | Q350-L352 PolarHBondContact O-N 2.9Å; Q350-L352 VanDerWaalsContact O-N 3.09Å; L352-T354 HydrophobicContact CD1-CG2 4.17Å; L352-T354 WeakPolarHBondContact CD2-OG1 3.38Å; L352-T354 HydrophobicContact CG-CG2 4.39Å; L352-T354 VanDerWaalsContact CG-OG1 3.24Å; L352-T354 WeakPolarHBondContact CG-OG1 3.37Å; L352-T354 PolarHBondContact O-N 3.33Å; L352-M380 HydrophobicContact CD2-CE 4.45Å; L352-V387 HydrophobicContact CD2-CB 4.27Å; L352-V387 HydrophobicContact CD2-CG1 3.36Å | ||
| 353 | N | 57.2 | Low | 59.2 | Low | 148 Ų | 148 | 114.2 Ų | 114.2 | 79% | 0.791 | 61% | 0.605 | S | S | * | * | trans | -78.3 | -0.5 | 178.8 | 93.2 | -9.4 | 0 | 0 | 0 | 113.8 | Y351 V355 | Y351-N353 PolarHBondContact O-N 2.95Å; N353-V355 PolarHBondContact O-N 2.99Å | ||
| 354 | T | 64.4 | Low | 60.6 | Low | 35 Ų | 35 | 118 Ų | 118 | 22% | 0.215 | 62% | 0.624 | C | S | . | * | trans | -76.1 | 114.1 | -167.5 | 60.2 | 0 | 0 | 0 | 0 | 110.5 | F342 L352 | F342-T354 HydrophobicContact CE1-CG2 4.08Å; L352-T354 HydrophobicContact CD1-CG2 4.17Å; L352-T354 WeakPolarHBondContact CD2-OG1 3.38Å; L352-T354 HydrophobicContact CG-CG2 4.39Å; L352-T354 VanDerWaalsContact CG-OG1 3.24Å; L352-T354 WeakPolarHBondContact CG-OG1 3.37Å; L352-T354 PolarHBondContact O-N 3.33Å | ||
| 355 | V | 69.6 | Low | 62 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 132.8 | 169.1 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | N353 P357 | N353-V355 PolarHBondContact O-N 2.99Å; V355-P357 WeakPolarHBondContact O-CD 3.43Å |
| 356 | I | 76.3 | Confident | 63.9 | Low | 34 Ų | 34 | 113.1 Ų | 113.1 | 17% | 0.174 | 59% | 0.592 | C | S | . | * | P | Polyproline II helix | trans | -65.1 | 116.2 | 173.3 | -54.4 | 178.5 | 0 | 0 | 0 | 107.2 | Y358 L373 I376 L377 M380 L391 Y394 | I356-Y358 PolarHBondContact O-N 3.06Å; I356-L373 HydrophobicContact CD1-CD1 3.79Å; I356-L373 HydrophobicContact CG2-CD1 3.8Å; I356-I376 HydrophobicContact CD1-CG2 3.75Å; I356-I376 HydrophobicContact CG1-CG2 4.24Å; I356-L377 HydrophobicContact CD1-CD2 3.79Å; I356-L377 HydrophobicContact CD1-CG 4.37Å; I356-M380 HydrophobicContact CD1-SD 4.08Å; I356-M380 HydrophobicContact CG1-SD 4.33Å; I356-L391 HydrophobicContact CB-CD2 4.42Å; I356-L391 HydrophobicContact CG1-CD2 4.18Å; I356-L391 HydrophobicContact CG2-CD2 4.19Å; I356-Y394 HydrophobicContact CG2-CE1 4.32Å |
| 357 | P | 71.1 | Confident | 65.6 | Low | 52 Ų | 52 | 115.1 Ų | 115.1 | 34% | 0.338 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 133.2 | -177.4 | -19.1 | 32.3 | 0 | 0 | 0 | 109.7 | V355 Y394 I395 L399 | V355-P357 WeakPolarHBondContact O-CD 3.43Å; P357-Y394 WeakPolarHBondContact O-CE1 3.44Å; P357-I395 HydrophobicContact CG-CD1 4.19Å; P357-I395 HydrophobicContact CG-CG1 4.19Å; P357-L399 HydrophobicContact CB-CD1 3.59Å; P357-L399 HydrophobicContact CG-CD1 4.45Å |
| 358 | Y | 72.9 | Confident | 67.6 | Low | 163 Ų | 163 | 112.5 Ų | 112.5 | 64% | 0.639 | 58% | 0.577 | S | S | * | * | trans | -127.7 | 127.8 | -178.8 | 175.3 | -100.1 | 0 | 0 | 0 | 109.7 | I356 K360 | I356-Y358 PolarHBondContact O-N 3.06Å; Y358-K360 HydrophobicContact CE1-CB 3.97Å; Y358-K360 HydrophobicContact CE1-CG 4.43Å | ||
| 359 | E | 70.6 | Confident | 69.5 | Low | 97 Ų | 97 | 106.7 Ų | 106.7 | 45% | 0.453 | 55% | 0.551 | S | S | . | * | trans | -102.1 | 120.3 | 171.7 | -174.6 | 179.6 | -171.3 | 0 | 0 | 108.9 | K361 L399 | E359-K361 HydrophobicContact CB-CG 4.43Å; E359-K361 VanDerWaalsContact CD-CE 3.43Å; E359-K361 HydrophobicContact CG-CG 3.98Å; E359-K361 PolarHBondContact O-N 3.08Å; E359-K361 WeakPolarHBondContact OE2-CE 3.2Å; E359-K361 IonicContact OE2-NZ 3.05Å; E359-L399 HydrophobicContact CB-CD2 3.56Å | ||
| 360 | K | 67.1 | Low | 71.1 | Confident | 190 Ų | 190 | 102.2 Ų | 102.2 | 83% | 0.826 | 54% | 0.536 | S | S | * | . | trans | -73.6 | 78.4 | 175.6 | -168.7 | -179.7 | -178.3 | 179.4 | 0 | 109.5 | Y358 | Y358-K360 HydrophobicContact CE1-CB 3.97Å; Y358-K360 HydrophobicContact CE1-CG 4.43Å | ||
| 361 | K | 69.3 | Low | 72.6 | Confident | 86 Ų | 86 | 101.4 Ų | 101.4 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | trans | -72.4 | 143.9 | 171.8 | -61.6 | -175.9 | -178 | 176.6 | 0 | 109.2 | E359 T363 V398 | E359-K361 HydrophobicContact CB-CG 4.43Å; E359-K361 VanDerWaalsContact CD-CE 3.43Å; E359-K361 HydrophobicContact CG-CG 3.98Å; E359-K361 PolarHBondContact O-N 3.08Å; E359-K361 WeakPolarHBondContact OE2-CE 3.2Å; E359-K361 IonicContact OE2-NZ 3.05Å; K361-T363 PolarHBondContact O-N 3.45Å; K361-V398 PolarHBondContact NZ-O 2.96Å | ||
| 362 | T | 63.1 | Low | 74.2 | Confident | 154 Ų | 154 | 92.8 Ų | 92.8 | 95% | 0.945 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -69.2 | -11.7 | 174.6 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 363 | T | 66.5 | Low | 75.6 | Confident | 89 Ų | 89 | 91.9 Ų | 91.9 | 55% | 0.546 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -99.4 | 138.1 | 174.6 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | K361 | K361-T363 PolarHBondContact O-N 3.45Š|
| 364 | P | 71.3 | Confident | 77.2 | Confident | 115 Ų | 115 | 89 Ų | 89 | 75% | 0.747 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 145 | 175.5 | 24.4 | -32.8 | 0 | 0 | 0 | 111 | ||
| 365 | P | 76.6 | Confident | 78.4 | Confident | 70 Ų | 70 | 93.3 Ų | 93.3 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 143.4 | 179.7 | 24.2 | -32.7 | 0 | 0 | 0 | 110.7 | D369 L370 | P365-D369 HydrophobicContact CB-CB 4.32Å; P365-L370 HydrophobicContact CB-CG 4.31Å; P365-L370 HydrophobicContact CG-CD1 4.48Å; P365-L370 HydrophobicContact CG-CD2 4.12Å; P365-L370 HydrophobicContact CG-CG 4.22Å |
| 366 | S | 84.2 | Confident | 79.3 | Confident | 50 Ų | 50 | 87.2 Ų | 87.2 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 161.2 | 179.3 | 75.3 | 0 | 0 | 0 | 0 | 111.1 | D368 D369 L370 | S366-D368 PolarHBondContact O-N 3.14Å; S366-D369 WeakPolarHBondContact CB-OD2 3.42Å; S366-D369 PolarHBondContact N-OD2 3.45Å; S366-D369 PolarHBondContact O-N 3.4Å; S366-D369 VanDerWaalsContact O-N 3.16Å; S366-D369 PolarHBondContact OG-N 3.3Å; S366-D369 PolarHBondContact OG-OD1 3.23Å; S366-D369 PolarHBondContact OG-OD2 3.3Å; S366-L370 WeakPolarHBondContact O-CG 3.41Å; S366-L370 PolarHBondContact O-N 2.88Å |
| 367 | V | 85.8 | Confident | 80 | Confident | 104 Ų | 104 | 90.1 Ų | 90.1 | 63% | 0.63 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.6 | -35.2 | 176.1 | 177.2 | 0 | 0 | 0 | 0 | 111 | L370 Q371 | V367-L370 PolarHBondContact O-N 3.43Å; V367-Q371 VanDerWaalsContact O-CG 3.31Å; V367-Q371 WeakPolarHBondContact O-CG 3.48Å; V367-Q371 PolarHBondContact O-N 3.48Å |
| 368 | D | 85.6 | Confident | 80.9 | Confident | 118 Ų | 118 | 94 Ų | 94 | 63% | 0.631 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.1 | -39.5 | 178.3 | -65.3 | -33.3 | 0 | 0 | 0 | 111.6 | S366 Q371 M372 | S366-D368 PolarHBondContact O-N 3.14Å; D368-Q371 PolarHBondContact O-N 2.98Å; D368-M372 WeakPolarHBondContact O-CB 3.27Å; D368-M372 PolarHBondContact O-N 2.89Å |
| 369 | D | 85.1 | Confident | 81.6 | Confident | 39 Ų | 39 | 86.6 Ų | 86.6 | 21% | 0.209 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.6 | -55.1 | -33.5 | 0 | 0 | 0 | 111.2 | P365 S366 M372 L373 V398 | P365-D369 HydrophobicContact CB-CB 4.32Å; S366-D369 WeakPolarHBondContact CB-OD2 3.42Å; S366-D369 PolarHBondContact N-OD2 3.45Å; S366-D369 PolarHBondContact O-N 3.4Å; S366-D369 VanDerWaalsContact O-N 3.16Å; S366-D369 PolarHBondContact OG-N 3.3Å; S366-D369 PolarHBondContact OG-OD1 3.23Å; S366-D369 PolarHBondContact OG-OD2 3.3Å; D369-M372 WeakPolarHBondContact O-CB 3.44Å; D369-M372 PolarHBondContact O-N 2.86Å; D369-L373 PolarHBondContact O-N 2.98Å; D369-V398 HydrophobicContact CB-CG1 4.2Å; D369-V398 HydrophobicContact CB-CG2 4.49Å; D369-V398 WeakPolarHBondContact OD1-CG1 3.48Å; D369-V398 VanDerWaalsContact OD1-CG2 3.23Å; D369-V398 WeakPolarHBondContact OD1-CG2 3.39Å |
| 370 | L | 87.6 | Confident | 82.4 | Confident | 84 Ų | 84 | 85 Ų | 85 | 44% | 0.44 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 177.5 | -73.6 | 165.2 | 0 | 0 | 0 | 112 | P365 S366 V367 M372 L373 T374 | P365-L370 HydrophobicContact CB-CG 4.31Å; P365-L370 HydrophobicContact CG-CD1 4.48Å; P365-L370 HydrophobicContact CG-CD2 4.12Å; P365-L370 HydrophobicContact CG-CG 4.22Å; S366-L370 WeakPolarHBondContact O-CG 3.41Å; S366-L370 PolarHBondContact O-N 2.88Å; V367-L370 PolarHBondContact O-N 3.43Å; L370-M372 VanDerWaalsContact C-N 3.28Å; L370-M372 PolarHBondContact O-N 3.3Å; L370-L373 PolarHBondContact O-N 2.74Å; L370-T374 WeakPolarHBondContact O-CB 3.35Å; L370-T374 PolarHBondContact O-N 3.14Å; L370-T374 PolarHBondContact O-OG1 3.27Å |
| 371 | Q | 88.3 | Confident | 83.3 | Confident | 97 Ų | 97 | 84.2 Ų | 84.2 | 45% | 0.453 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 174.4 | -75.8 | 179.5 | 15.2 | 0 | 0 | 111.9 | V367 D368 K375 | V367-Q371 VanDerWaalsContact O-CG 3.31Å; V367-Q371 WeakPolarHBondContact O-CG 3.48Å; V367-Q371 PolarHBondContact O-N 3.48Å; D368-Q371 PolarHBondContact O-N 2.98Å; Q371-K375 VanDerWaalsContact O-CG 3.31Å; Q371-K375 WeakPolarHBondContact O-CG 3.43Å; Q371-K375 PolarHBondContact O-N 2.96Å; Q371-K375 VanDerWaalsContact O-N 3.07Å |
| 372 | M | 87.3 | Confident | 84.3 | Confident | 25 Ų | 25 | 85.3 Ų | 85.3 | 12% | 0.123 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.6 | -44.6 | 177.8 | -165.1 | 165 | -163.1 | 0 | 0 | 112.1 | D368 D369 L370 T374 K375 I376 D393 Y394 K397 V398 | D368-M372 WeakPolarHBondContact O-CB 3.27Å; D368-M372 PolarHBondContact O-N 2.89Å; D369-M372 WeakPolarHBondContact O-CB 3.44Å; D369-M372 PolarHBondContact O-N 2.86Å; L370-M372 VanDerWaalsContact C-N 3.28Å; L370-M372 PolarHBondContact O-N 3.3Å; M372-T374 VanDerWaalsContact C-N 3.31Å; M372-T374 PolarHBondContact O-N 3.42Å; M372-K375 WeakPolarHBondContact O-CB 3.35Å; M372-K375 PolarHBondContact O-N 3.31Å; M372-I376 WeakPolarHBondContact O-CG1 3.38Å; M372-I376 PolarHBondContact O-N 2.95Å; M372-D393 HydrophobicContact CE-CB 3.42Å; M372-D393 VanDerWaalsContact CE-CB 3.42Å; M372-Y394 HydrophobicContact CB-CD2 4.26Å; M372-Y394 HydrophobicContact CG-CD2 3.95Å; M372-Y394 HydrophobicContact SD-CD2 3.9Å; M372-Y394 HydrophobicContact SD-CG 4.43Å; M372-K397 HydrophobicContact CE-CD 4.26Å; M372-V398 HydrophobicContact SD-CG2 4.13Å |
| 373 | L | 88.8 | Confident | 85.3 | Confident | 52 Ų | 52 | 85.2 Ų | 85.2 | 27% | 0.272 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 174 | -174.4 | 62.2 | 0 | 0 | 0 | 111.4 | I356 D369 L370 K375 I376 L377 | I356-L373 HydrophobicContact CD1-CD1 3.79Å; I356-L373 HydrophobicContact CG2-CD1 3.8Å; D369-L373 PolarHBondContact O-N 2.98Å; L370-L373 PolarHBondContact O-N 2.74Å; L373-K375 VanDerWaalsContact C-N 3.33Å; L373-K375 PolarHBondContact O-N 3.13Å; L373-I376 PolarHBondContact O-N 3.39Å; L373-L377 HydrophobicContact CG-CD1 4.23Å; L373-L377 WeakPolarHBondContact O-CG 3.24Å; L373-L377 PolarHBondContact O-N 3.24Å |
| 374 | T | 89.3 | Confident | 86.1 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 55% | 0.546 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | L370 M372 I376 L377 Y378 | L370-T374 WeakPolarHBondContact O-CB 3.35Å; L370-T374 PolarHBondContact O-N 3.14Å; L370-T374 PolarHBondContact O-OG1 3.27Å; M372-T374 VanDerWaalsContact C-N 3.31Å; M372-T374 PolarHBondContact O-N 3.42Å; T374-I376 VanDerWaalsContact C-N 3.35Å; T374-L377 PolarHBondContact O-N 2.94Å; T374-Y378 WeakPolarHBondContact O-CB 3.42Å; T374-Y378 PolarHBondContact O-N 3.44Å |
| 375 | K | 89.6 | Confident | 86.8 | Confident | 124 Ų | 124 | 86.3 Ų | 86.3 | 54% | 0.539 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 176.1 | -73.9 | 168.9 | -175.6 | 170.7 | 0 | 112.2 | Q371 M372 L373 A379 | Q371-K375 VanDerWaalsContact O-CG 3.31Å; Q371-K375 WeakPolarHBondContact O-CG 3.43Å; Q371-K375 PolarHBondContact O-N 2.96Å; Q371-K375 VanDerWaalsContact O-N 3.07Å; M372-K375 WeakPolarHBondContact O-CB 3.35Å; M372-K375 PolarHBondContact O-N 3.31Å; L373-K375 VanDerWaalsContact C-N 3.33Å; L373-K375 PolarHBondContact O-N 3.13Å; K375-A379 VanDerWaalsContact O-CB 3.25Å; K375-A379 WeakPolarHBondContact O-CB 3.27Å; K375-A379 PolarHBondContact O-N 3.37Å |
| 376 | I | 89.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 89.8 Ų | 89.8 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.6 | -50.3 | 175.7 | -66.5 | 162.3 | 0 | 0 | 0 | 110.1 | I356 M372 L373 T374 Y378 A379 M380 L390 L391 Y394 | I356-I376 HydrophobicContact CD1-CG2 3.75Å; I356-I376 HydrophobicContact CG1-CG2 4.24Å; M372-I376 WeakPolarHBondContact O-CG1 3.38Å; M372-I376 PolarHBondContact O-N 2.95Å; L373-I376 PolarHBondContact O-N 3.39Å; T374-I376 VanDerWaalsContact C-N 3.35Å; I376-Y378 VanDerWaalsContact C-N 3.3Å; I376-Y378 PolarHBondContact O-N 3.4Å; I376-A379 PolarHBondContact O-N 2.85Å; I376-A379 VanDerWaalsContact O-N 3.15Å; I376-M380 HydrophobicContact CG2-CG 4.41Å; I376-M380 HydrophobicContact CG2-SD 4.02Å; I376-M380 WeakPolarHBondContact O-CG 3.47Å; I376-M380 PolarHBondContact O-N 3.25Å; I376-L390 HydrophobicContact CG1-CB 3.66Å; I376-L391 HydrophobicContact CD1-CD2 4.37Å; I376-L391 HydrophobicContact CG2-CD2 4.16Å; I376-L391 HydrophobicContact CG2-CG 4.32Å; I376-Y394 HydrophobicContact CD1-CD2 4.44Å; I376-Y394 HydrophobicContact CD1-CG 4.02Å |
| 377 | L | 90 | Very high | 87.5 | Confident | 95 Ų | 95 | 87.7 Ų | 87.7 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 179.9 | -69 | 173.8 | 0 | 0 | 0 | 112.2 | I356 L373 T374 M380 K381 | I356-L377 HydrophobicContact CD1-CD2 3.79Å; I356-L377 HydrophobicContact CD1-CG 4.37Å; L373-L377 HydrophobicContact CG-CD1 4.23Å; L373-L377 WeakPolarHBondContact O-CG 3.24Å; L373-L377 PolarHBondContact O-N 3.24Å; T374-L377 PolarHBondContact O-N 2.94Å; L377-M380 PolarHBondContact O-N 3.08Å; L377-K381 WeakPolarHBondContact O-CB 3.38Å; L377-K381 PolarHBondContact O-N 3.38Å |
| 378 | Y | 90.4 | Very high | 87.5 | Confident | 134 Ų | 134 | 85.7 Ų | 85.7 | 53% | 0.525 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 175.1 | -166.7 | -94.6 | 0 | 0 | 0 | 111.8 | T374 I376 M380 K381 E382 | T374-Y378 WeakPolarHBondContact O-CB 3.42Å; T374-Y378 PolarHBondContact O-N 3.44Å; I376-Y378 VanDerWaalsContact C-N 3.3Å; I376-Y378 PolarHBondContact O-N 3.4Å; Y378-M380 VanDerWaalsContact C-N 3.31Å; Y378-M380 PolarHBondContact O-N 3.08Å; Y378-K381 PolarHBondContact O-N 3.3Å; Y378-E382 HydrophobicContact CD1-CG 4.3Å; Y378-E382 HydrophobicContact CE1-CG 3.93Å; Y378-E382 WeakPolarHBondContact CE1-OE1 3.38Å; Y378-E382 WeakPolarHBondContact CE1-OE2 3.47Å; Y378-E382 PolarHBondContact O-N 3.29Å; Y378-E382 PolarHBondContact OH-OE1 2.98Å |
| 379 | A | 88.5 | Confident | 87.6 | Confident | 6 Ų | 6 | 84.4 Ų | 84.4 | 5% | 0.05 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K375 I376 D383 S384 V387 L390 | K375-A379 VanDerWaalsContact O-CB 3.25Å; K375-A379 WeakPolarHBondContact O-CB 3.27Å; K375-A379 PolarHBondContact O-N 3.37Å; I376-A379 PolarHBondContact O-N 2.85Å; I376-A379 VanDerWaalsContact O-N 3.15Å; A379-D383 PolarHBondContact O-N 3.49Å; A379-S384 VanDerWaalsContact O-CB 3.31Å; A379-S384 WeakPolarHBondContact O-CB 3.48Å; A379-S384 PolarHBondContact O-N 2.93Å; A379-V387 VanDerWaalsContact C-CG2 3.44Å; A379-V387 HydrophobicContact CB-CG2 3.6Å; A379-L390 HydrophobicContact CB-CD1 3.69Å |
| 380 | M | 86.9 | Confident | 87.8 | Confident | 64 Ų | 64 | 84.6 Ų | 84.6 | 32% | 0.315 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 173.1 | -71.3 | 177.3 | 71.9 | 0 | 0 | 111.6 | L352 I356 I376 L377 Y378 E382 D383 V387 | L352-M380 HydrophobicContact CD2-CE 4.45Å; I356-M380 HydrophobicContact CD1-SD 4.08Å; I356-M380 HydrophobicContact CG1-SD 4.33Å; I376-M380 HydrophobicContact CG2-CG 4.41Å; I376-M380 HydrophobicContact CG2-SD 4.02Å; I376-M380 WeakPolarHBondContact O-CG 3.47Å; I376-M380 PolarHBondContact O-N 3.25Å; L377-M380 PolarHBondContact O-N 3.08Å; Y378-M380 VanDerWaalsContact C-N 3.31Å; Y378-M380 PolarHBondContact O-N 3.08Å; M380-E382 PolarHBondContact O-N 3.45Å; M380-D383 PolarHBondContact O-N 3.09Å; M380-V387 HydrophobicContact CB-CG2 4.49Å; M380-V387 HydrophobicContact CG-CG1 3.84Å; M380-V387 HydrophobicContact CG-CG2 3.83Å |
| 381 | K | 85.6 | Confident | 87.7 | Confident | 173 Ų | 173 | 81.3 Ų | 81.3 | 75% | 0.752 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.3 | -33.7 | 176.6 | -178.2 | -177.4 | 174.4 | -173.7 | 0 | 112.6 | L377 Y378 | L377-K381 WeakPolarHBondContact O-CB 3.38Å; L377-K381 PolarHBondContact O-N 3.38Å; Y378-K381 PolarHBondContact O-N 3.3Å |
| 382 | E | 90.6 | Very high | 87.7 | Confident | 109 Ų | 109 | 80.2 Ų | 80.2 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 9.6 | 179.8 | -67.1 | -167 | 154.5 | 0 | 0 | 114.1 | Y378 M380 S384 | Y378-E382 HydrophobicContact CD1-CG 4.3Å; Y378-E382 HydrophobicContact CE1-CG 3.93Å; Y378-E382 WeakPolarHBondContact CE1-OE1 3.38Å; Y378-E382 WeakPolarHBondContact CE1-OE2 3.47Å; Y378-E382 PolarHBondContact O-N 3.29Å; Y378-E382 PolarHBondContact OH-OE1 2.98Å; M380-E382 PolarHBondContact O-N 3.45Å; E382-S384 PolarHBondContact O-N 3.36Å; E382-S384 VanDerWaalsContact O-N 3.17Å |
| 383 | D | 83.3 | Confident | 87.6 | Confident | 153 Ų | 153 | 81.9 Ų | 81.9 | 82% | 0.818 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 39.1 | -175.5 | -65.5 | -41.5 | 0 | 0 | 0 | 113 | A379 M380 | A379-D383 PolarHBondContact O-N 3.49Å; M380-D383 PolarHBondContact O-N 3.09Å |
| 384 | S | 84.9 | Confident | 87.6 | Confident | 36 Ų | 36 | 80.1 Ų | 80.1 | 25% | 0.252 | 40% | 0.402 | S | S | . | . | trans | -77 | 131.9 | -174.3 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | A379 E382 K386 V387 | A379-S384 VanDerWaalsContact O-CB 3.31Å; A379-S384 WeakPolarHBondContact O-CB 3.48Å; A379-S384 PolarHBondContact O-N 2.93Å; E382-S384 PolarHBondContact O-N 3.36Å; E382-S384 VanDerWaalsContact O-N 3.17Å; S384-K386 PolarHBondContact O-N 2.93Å; S384-V387 VanDerWaalsContact O-CG2 3.32Å; S384-V387 WeakPolarHBondContact O-CG2 3.47Å; S384-V387 PolarHBondContact O-N 2.98Å; S384-V387 VanDerWaalsContact O-N 3.16Å | ||
| 385 | E | 85.8 | Confident | 87.4 | Confident | 190 Ų | 190 | 78.9 Ų | 78.9 | 89% | 0.888 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -8 | 172.4 | -62.9 | -176.1 | 176.3 | 0 | 0 | 114.1 | P388 | E385-P388 WeakPolarHBondContact O-CD 3.49Š|
| 386 | K | 86.4 | Confident | 87.2 | Confident | 143 Ų | 143 | 77.4 Ų | 77.4 | 62% | 0.622 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -11.9 | 178.9 | -64.3 | 178.8 | -177.7 | 171.3 | 0 | 113.8 | S384 T389 L390 | S384-K386 PolarHBondContact O-N 2.93Å; K386-T389 PolarHBondContact O-N 3.35Å; K386-L390 HydrophobicContact CB-CD1 4.32Å; K386-L390 WeakPolarHBondContact O-CG 3.34Å; K386-L390 PolarHBondContact O-N 3.21Å |
| 387 | V | 87.4 | Confident | 86.7 | Confident | 7 Ų | 7 | 83.4 Ų | 83.4 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -55.3 | -46.8 | -176.6 | 175.9 | 0 | 0 | 0 | 0 | 113 | L352 A379 M380 S384 T389 L390 L391 | L352-V387 HydrophobicContact CD2-CB 4.27Å; L352-V387 HydrophobicContact CD2-CG1 3.36Å; A379-V387 VanDerWaalsContact C-CG2 3.44Å; A379-V387 HydrophobicContact CB-CG2 3.6Å; M380-V387 HydrophobicContact CB-CG2 4.49Å; M380-V387 HydrophobicContact CG-CG1 3.84Å; M380-V387 HydrophobicContact CG-CG2 3.83Å; S384-V387 VanDerWaalsContact O-CG2 3.32Å; S384-V387 WeakPolarHBondContact O-CG2 3.47Å; S384-V387 PolarHBondContact O-N 2.98Å; S384-V387 VanDerWaalsContact O-N 3.16Å; V387-T389 VanDerWaalsContact C-N 3.3Å; V387-T389 PolarHBondContact O-N 3.4Å; V387-L390 PolarHBondContact O-N 2.77Å; V387-L391 HydrophobicContact CG1-CD1 3.79Å; V387-L391 HydrophobicContact CG1-CG 4.29Å; V387-L391 PolarHBondContact O-N 2.91Å |
| 388 | P | 85.8 | Confident | 86.1 | Confident | 62 Ų | 62 | 79.4 Ų | 79.4 | 40% | 0.403 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 179 | -24.5 | 35.4 | 0 | 0 | 0 | 113.1 | E385 T392 | E385-P388 WeakPolarHBondContact O-CD 3.49Å; P388-T392 WeakPolarHBondContact O-CB 3.44Å; P388-T392 PolarHBondContact O-N 3.23Å; P388-T392 PolarHBondContact O-OG1 3.22Å |
| 389 | T | 87.6 | Confident | 85.5 | Confident | 90 Ų | 90 | 74.6 Ų | 74.6 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.5 | -44.1 | 177.8 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | K386 V387 T392 D393 | K386-T389 PolarHBondContact O-N 3.35Å; V387-T389 VanDerWaalsContact C-N 3.3Å; V387-T389 PolarHBondContact O-N 3.4Å; T389-T392 PolarHBondContact O-N 3.43Å; T389-D393 WeakPolarHBondContact O-CB 3.43Å; T389-D393 PolarHBondContact O-N 3.49Å |
| 390 | L | 89.3 | Confident | 85 | Confident | 43 Ų | 43 | 78 Ų | 78 | 23% | 0.225 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 179.5 | -68.3 | 171.1 | 0 | 0 | 0 | 112.2 | I376 A379 K386 V387 Y394 | I376-L390 HydrophobicContact CG1-CB 3.66Å; A379-L390 HydrophobicContact CB-CD1 3.69Å; K386-L390 HydrophobicContact CB-CD1 4.32Å; K386-L390 WeakPolarHBondContact O-CG 3.34Å; K386-L390 PolarHBondContact O-N 3.21Å; V387-L390 PolarHBondContact O-N 2.77Å; L390-Y394 WeakPolarHBondContact O-CB 3.32Å; L390-Y394 PolarHBondContact O-N 3.29Å |
| 391 | L | 87.3 | Confident | 84.3 | Confident | 15 Ų | 15 | 79.1 Ų | 79.1 | 8% | 0.079 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 173.3 | -80.7 | 168.4 | 0 | 0 | 0 | 111.8 | I356 I376 V387 D393 Y394 I395 | I356-L391 HydrophobicContact CB-CD2 4.42Å; I356-L391 HydrophobicContact CG1-CD2 4.18Å; I356-L391 HydrophobicContact CG2-CD2 4.19Å; I376-L391 HydrophobicContact CD1-CD2 4.37Å; I376-L391 HydrophobicContact CG2-CD2 4.16Å; I376-L391 HydrophobicContact CG2-CG 4.32Å; V387-L391 HydrophobicContact CG1-CD1 3.79Å; V387-L391 HydrophobicContact CG1-CG 4.29Å; V387-L391 PolarHBondContact O-N 2.91Å; L391-D393 VanDerWaalsContact C-N 3.33Å; L391-D393 PolarHBondContact O-N 2.99Å; L391-Y394 PolarHBondContact O-N 2.85Å; L391-Y394 VanDerWaalsContact O-N 3.16Å; L391-I395 VanDerWaalsContact O-CG1 3.29Å; L391-I395 WeakPolarHBondContact O-CG1 3.44Å; L391-I395 PolarHBondContact O-N 3.45Å |
| 392 | T | 87.4 | Confident | 83 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 46% | 0.46 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 178 | -56.5 | 0 | 0 | 0 | 0 | 111 | P388 T389 Y394 I395 L396 | P388-T392 WeakPolarHBondContact O-CB 3.44Å; P388-T392 PolarHBondContact O-N 3.23Å; P388-T392 PolarHBondContact O-OG1 3.22Å; T389-T392 PolarHBondContact O-N 3.43Å; T392-Y394 VanDerWaalsContact C-N 3.28Å; T392-Y394 PolarHBondContact O-N 3.06Å; T392-I395 PolarHBondContact O-N 3.44Å; T392-L396 HydrophobicContact CG2-CD1 4.04Å; T392-L396 WeakPolarHBondContact O-CG 3.41Å; T392-L396 PolarHBondContact O-N 3.39Å |
| 393 | D | 86.2 | Confident | 82.6 | Confident | 59 Ų | 59 | 79 Ų | 79 | 32% | 0.316 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 177.3 | -102.8 | 33 | 0 | 0 | 0 | 111.6 | M372 T389 L391 L396 K397 | M372-D393 HydrophobicContact CE-CB 3.42Å; M372-D393 VanDerWaalsContact CE-CB 3.42Å; T389-D393 WeakPolarHBondContact O-CB 3.43Å; T389-D393 PolarHBondContact O-N 3.49Å; L391-D393 VanDerWaalsContact C-N 3.33Å; L391-D393 PolarHBondContact O-N 2.99Å; D393-L396 PolarHBondContact O-N 2.71Å; D393-K397 VanDerWaalsContact O-CB 3.26Å; D393-K397 WeakPolarHBondContact O-CB 3.41Å; D393-K397 WeakPolarHBondContact O-CG 3.41Å; D393-K397 PolarHBondContact O-N 2.72Å; D393-K397 IonicContact OD2-NZ 3.51Å; D393-K397 PolarHBondContact OD2-NZ 3.01Å |
| 394 | Y | 87.1 | Confident | 82.6 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 6% | 0.059 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.5 | -43.2 | 179.9 | 174.2 | -98 | 0 | 0 | 0 | 111.4 | I356 P357 M372 I376 L390 L391 T392 L396 K397 V398 L399 | I356-Y394 HydrophobicContact CG2-CE1 4.32Å; P357-Y394 WeakPolarHBondContact O-CE1 3.44Å; M372-Y394 HydrophobicContact CB-CD2 4.26Å; M372-Y394 HydrophobicContact CG-CD2 3.95Å; M372-Y394 HydrophobicContact SD-CD2 3.9Å; M372-Y394 HydrophobicContact SD-CG 4.43Å; I376-Y394 HydrophobicContact CD1-CD2 4.44Å; I376-Y394 HydrophobicContact CD1-CG 4.02Å; L390-Y394 WeakPolarHBondContact O-CB 3.32Å; L390-Y394 PolarHBondContact O-N 3.29Å; L391-Y394 PolarHBondContact O-N 2.85Å; L391-Y394 VanDerWaalsContact O-N 3.16Å; T392-Y394 VanDerWaalsContact C-N 3.28Å; T392-Y394 PolarHBondContact O-N 3.06Å; Y394-L396 PolarHBondContact O-N 3.33Å; Y394-K397 PolarHBondContact O-N 2.84Å; Y394-V398 HydrophobicContact CD2-CB 3.96Å; Y394-V398 HydrophobicContact CD2-CG1 4.48Å; Y394-V398 HydrophobicContact CD2-CG2 3.56Å; Y394-V398 HydrophobicContact CE2-CB 3.77Å; Y394-V398 HydrophobicContact CE2-CG1 3.79Å; Y394-V398 HydrophobicContact CE2-CG2 3.67Å; Y394-V398 HydrophobicContact CG-CG2 4.37Å; Y394-V398 VanDerWaalsContact O-CB 3.28Å; Y394-V398 WeakPolarHBondContact O-CB 3.37Å; Y394-V398 PolarHBondContact O-N 3.04Å; Y394-L399 HydrophobicContact CD1-CD1 4.33Å; Y394-L399 HydrophobicContact CE1-CD1 3.98Å; Y394-L399 HydrophobicContact CE1-CG 4.12Å |
| 395 | I | 86.2 | Confident | 82.4 | Confident | 64 Ų | 64 | 77.2 Ų | 77.2 | 33% | 0.328 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -59.5 | -48.1 | 175.4 | -65.7 | 161.9 | 0 | 0 | 0 | 110.2 | P357 L391 T392 K397 L399 C400 | P357-I395 HydrophobicContact CG-CD1 4.19Å; P357-I395 HydrophobicContact CG-CG1 4.19Å; L391-I395 VanDerWaalsContact O-CG1 3.29Å; L391-I395 WeakPolarHBondContact O-CG1 3.44Å; L391-I395 PolarHBondContact O-N 3.45Å; T392-I395 PolarHBondContact O-N 3.44Å; I395-K397 PolarHBondContact O-N 3.37Å; I395-L399 HydrophobicContact CG1-CD1 4.18Å; I395-L399 WeakPolarHBondContact O-CB 3.35Å; I395-L399 PolarHBondContact O-N 3.24Å; I395-C400 PolarHBondContact O-N 3.45Å |
| 396 | L | 84.1 | Confident | 82.2 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | I | π-helix | trans | -71 | -30.6 | -177 | -66.8 | 175.5 | 0 | 0 | 0 | 113.7 | T392 D393 Y394 C400 | T392-L396 HydrophobicContact CG2-CD1 4.04Å; T392-L396 WeakPolarHBondContact O-CG 3.41Å; T392-L396 PolarHBondContact O-N 3.39Å; D393-L396 PolarHBondContact O-N 2.71Å; Y394-L396 PolarHBondContact O-N 3.33Å; L396-C400 CarbonylContact O-C 3.58Å |
| 397 | K | 80.3 | Confident | 82 | Confident | 125 Ų | 125 | 66.1 Ų | 66.1 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | I | π-helix | trans | -95.4 | -31.1 | -175.5 | -69.3 | 171.6 | 179.7 | 160.7 | 0 | 113.7 | M372 D393 Y394 I395 | M372-K397 HydrophobicContact CE-CD 4.26Å; D393-K397 VanDerWaalsContact O-CB 3.26Å; D393-K397 WeakPolarHBondContact O-CB 3.41Å; D393-K397 WeakPolarHBondContact O-CG 3.41Å; D393-K397 PolarHBondContact O-N 2.72Å; D393-K397 IonicContact OD2-NZ 3.51Å; D393-K397 PolarHBondContact OD2-NZ 3.01Å; Y394-K397 PolarHBondContact O-N 2.84Å; I395-K397 PolarHBondContact O-N 3.37Å |
| 398 | V | 78.1 | Confident | 81.6 | Confident | 11 Ų | 11 | 70 Ų | 70 | 7% | 0.067 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -109.9 | -41.9 | -170.7 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | K361 D369 M372 Y394 | K361-V398 PolarHBondContact NZ-O 2.96Å; D369-V398 HydrophobicContact CB-CG1 4.2Å; D369-V398 HydrophobicContact CB-CG2 4.49Å; D369-V398 WeakPolarHBondContact OD1-CG1 3.48Å; D369-V398 VanDerWaalsContact OD1-CG2 3.23Å; D369-V398 WeakPolarHBondContact OD1-CG2 3.39Å; M372-V398 HydrophobicContact SD-CG2 4.13Å; Y394-V398 HydrophobicContact CD2-CB 3.96Å; Y394-V398 HydrophobicContact CD2-CG1 4.48Å; Y394-V398 HydrophobicContact CD2-CG2 3.56Å; Y394-V398 HydrophobicContact CE2-CB 3.77Å; Y394-V398 HydrophobicContact CE2-CG1 3.79Å; Y394-V398 HydrophobicContact CE2-CG2 3.67Å; Y394-V398 HydrophobicContact CG-CG2 4.37Å; Y394-V398 VanDerWaalsContact O-CB 3.28Å; Y394-V398 WeakPolarHBondContact O-CB 3.37Å; Y394-V398 PolarHBondContact O-N 3.04Å |
| 399 | L | 76.7 | Confident | 81.3 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 18% | 0.178 | 40% | 0.4 | C | S | . | . | I | π-helix | trans | -93.3 | -37.1 | -176.1 | -59.9 | 175.5 | 0 | 0 | 0 | 112.6 | P357 E359 Y394 I395 | P357-L399 HydrophobicContact CB-CD1 3.59Å; P357-L399 HydrophobicContact CG-CD1 4.45Å; E359-L399 HydrophobicContact CB-CD2 3.56Å; Y394-L399 HydrophobicContact CD1-CD1 4.33Å; Y394-L399 HydrophobicContact CE1-CD1 3.98Å; Y394-L399 HydrophobicContact CE1-CG 4.12Å; I395-L399 HydrophobicContact CG1-CD1 4.18Å; I395-L399 WeakPolarHBondContact O-CB 3.35Å; I395-L399 PolarHBondContact O-N 3.24Å |
| 400 | C | 78.8 | Confident | 80.9 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 53% | 0.527 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -126.7 | 54.9 | 179.7 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | I395 L396 T402 | I395-C400 PolarHBondContact O-N 3.45Å; L396-C400 CarbonylContact O-C 3.58Å; C400-T402 PolarHBondContact O-N 3.28Å |
| 401 | P | 72.5 | Confident | 80.2 | Confident | 87 Ų | 87 | 71.3 Ų | 71.3 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | trans | -58.8 | 125.2 | 178.7 | 26.3 | -33 | 0 | 0 | 0 | 109.6 | ||||
| 402 | T | 57.2 | Low | 79.5 | Confident | 199 Ų | 199 | 76.4 Ų | 76.4 | 100% | 1.221 | 43% | 0.432 | S | S | * | . | trans | -84.2 | 0 | 179.1 | -28.6 | 0 | 0 | 0 | 0 | 112 | C400 | C400-T402 PolarHBondContact O-N 3.28Š|
Retrieved 402 of 402 residues in 637 ms
(Link to these results)