| 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 | 48.2 | Very low | 51.5 | Low | 245 Ų | 245 | 153.4 Ų | 153.4 | 100% | 1.207 | 83% | 0.831 | S | S | * | * | 0 | 127.4 | 0 | -72.7 | -177.7 | 159.3 | 0 | 0 | 107.8 | |||||
| 2 | T | 47.2 | Very low | 51.8 | Low | 134 Ų | 134 | 149.8 Ų | 149.8 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -75 | 120.9 | -144.7 | 43.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 3 | S | 43.3 | Very low | 51.3 | Low | 123 Ų | 123 | 148.3 Ų | 148.3 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -86 | 126 | 164.7 | -78.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | I | 59.8 | Low | 51 | Low | 156 Ų | 156 | 147.9 Ų | 147.9 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -111.4 | 114.6 | 173.2 | -59.1 | 172.7 | 0 | 0 | 0 | 107.8 | ||||
| 5 | L | 45.2 | Very low | 50.3 | Low | 147 Ų | 147 | 152.3 Ų | 152.3 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -84.9 | 118.4 | 178.3 | -149.5 | 75.6 | 0 | 0 | 0 | 107.7 | ||||
| 6 | S | 58.9 | Low | 50.2 | Low | 112 Ų | 112 | 150.1 Ų | 150.1 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -111.1 | 117.9 | 169.9 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | H | 54.1 | Low | 50 | Low | 163 Ų | 163 | 150.4 Ų | 150.4 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 128.4 | 175.8 | -81.3 | 36.5 | 0 | 0 | 0 | 110 | ||
| 8 | H | 55.3 | Low | 49.5 | Very low | 183 Ų | 183 | 151.1 Ų | 151.1 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 129.6 | 164.8 | -98.6 | -51.2 | 0 | 0 | 0 | 109.7 | ||
| 9 | P | 58.7 | Low | 49.1 | Very low | 108 Ų | 108 | 149.6 Ų | 149.6 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 136.2 | 173.3 | 31.3 | -30 | 0 | 0 | 0 | 111.3 | ||
| 10 | V | 48.7 | Very low | 49.1 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 120.1 | 175.6 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | V12 | V10-V12 HydrophobicContact CG1-CG2 4.05Š|
| 11 | F | 47.5 | Very low | 49.1 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -84.5 | 112.5 | 166.5 | -101.9 | -90.7 | 0 | 0 | 0 | 109.6 | ||||
| 12 | V | 54.9 | Low | 48.8 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 67% | 0.673 | 79% | 0.79 | S | S | * | * | trans | -91.9 | 113.2 | 171.4 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | V10 N14 | V10-V12 HydrophobicContact CG1-CG2 4.05Å; V12-N14 PolarHBondContact O-N 3.38Å | ||
| 13 | N | 45.3 | Very low | 48.5 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | trans | -82.1 | 104.5 | 172.6 | -73 | -23.8 | 0 | 0 | 0 | 109.8 | ||||
| 14 | N | 46.4 | Very low | 48.6 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -106.3 | 99.8 | 162.9 | -92.8 | -11.9 | 0 | 0 | 0 | 109.4 | V12 | V12-N14 PolarHBondContact O-N 3.38Š| ||
| 15 | Y | 41 | Very low | 47.8 | Very low | 214 Ų | 214 | 149.2 Ų | 149.2 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -88.5 | 99.6 | 164.2 | -82.6 | -84.1 | 0 | 0 | 0 | 109 | ||||
| 16 | T | 48.2 | Very low | 47.6 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | trans | -113.1 | 108.3 | 160.5 | 34.2 | 0 | 0 | 0 | 0 | 108.3 | M18 | T16-M18 PolarHBondContact O-N 3.15Å; T16-M18 VanDerWaalsContact O-N 3.16Å | ||
| 17 | N | 46.5 | Very low | 47 | Very low | 156 Ų | 156 | 152.3 Ų | 152.3 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -61.7 | 108.3 | 171.2 | -78.6 | -40.3 | 0 | 0 | 0 | 109.7 | ||||
| 18 | M | 41.7 | Very low | 46.3 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 80% | 0.803 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 122.5 | 168 | -78.2 | -72.6 | 106.1 | 0 | 0 | 109.7 | T16 | T16-M18 PolarHBondContact O-N 3.15Å; T16-M18 VanDerWaalsContact O-N 3.16Å |
| 19 | C | 42.7 | Very low | 45.9 | Very low | 123 Ų | 123 | 153.9 Ų | 153.9 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 133 | 168.2 | -73.3 | 0 | 0 | 0 | 0 | 110.3 | P21 | C19-P21 WeakPolarHBondContact O-CD 3.33Š|
| 20 | K | 48.3 | Very low | 44.9 | Very low | 205 Ų | 205 | 153.4 Ų | 153.4 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 127.6 | 165.3 | -71.7 | 177.5 | 174.8 | 179.2 | 0 | 109.5 | ||
| 21 | P | 48.6 | Very low | 44.7 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 138.2 | 159.4 | 32.5 | -23.4 | 0 | 0 | 0 | 110.2 | C19 L23 | C19-P21 WeakPolarHBondContact O-CD 3.33Å; P21-L23 PolarHBondContact O-N 3.41Å |
| 22 | N | 42 | Very low | 44.5 | Very low | 167 Ų | 167 | 150 Ų | 150 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 125.7 | 170.7 | -86.7 | -33.8 | 0 | 0 | 0 | 110.2 | M24 | N22-M24 PolarHBondContact O-N 3.01Š|
| 23 | L | 41.1 | Very low | 44 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -75.8 | 114.8 | 166.7 | -107 | 76.7 | 0 | 0 | 0 | 109.3 | P21 | P21-L23 PolarHBondContact O-N 3.41Š| ||
| 24 | M | 46.3 | Very low | 44 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -90.1 | 117.7 | 165.5 | -140.3 | 114.4 | 124 | 0 | 0 | 107.5 | N22 H26 | N22-M24 PolarHBondContact O-N 3.01Å; M24-H26 PolarHBondContact O-N 3.21Å | ||
| 25 | N | 43.1 | Very low | 43.7 | Very low | 153 Ų | 153 | 153 Ų | 153 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 118.8 | 175.8 | -79.8 | -36.9 | 0 | 0 | 0 | 110.3 | ||||
| 26 | H | 41.1 | Very low | 43.7 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 70% | 0.704 | 81% | 0.807 | S | S | * | * | trans | -111.8 | 113.2 | 165 | -57.9 | -66.3 | 0 | 0 | 0 | 108 | M24 | M24-H26 PolarHBondContact O-N 3.21Š| ||
| 27 | N | 45.7 | Very low | 43.4 | Very low | 171 Ų | 171 | 156.9 Ų | 156.9 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -106.3 | 105.8 | 163.7 | -104.6 | -33.2 | 0 | 0 | 0 | 107.8 | ||||
| 28 | L | 39 | Very low | 43.1 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -80.8 | 132 | 164.9 | -73.5 | 160.1 | 0 | 0 | 0 | 108 | ||||
| 29 | K | 46.5 | Very low | 43.3 | Very low | 212 Ų | 212 | 152.4 Ų | 152.4 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | trans | -138.6 | 125.3 | 155.8 | -143.2 | 148.3 | -176.2 | -177.8 | 0 | 110.3 | ||||
| 30 | S | 37.3 | Very low | 43.4 | Very low | 98 Ų | 98 | 154.5 Ų | 154.5 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | -81.2 | 175.7 | -175.3 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 31 | T | 46 | Very low | 43.2 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 69% | 0.693 | 80% | 0.8 | S | S | * | * | trans | 85.2 | 134.5 | 162.6 | 70 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 32 | D | 41.9 | Very low | 43.2 | Very low | 132 Ų | 132 | 149 Ų | 149 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | cis | -164.4 | 154.6 | -1.6 | -92.5 | -23.6 | 0 | 0 | 0 | 108.6 | ||||
| 33 | E | 44.8 | Very low | 43.2 | Very low | 167 Ų | 167 | 147 Ų | 147 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | 22.4 | 130.5 | 148.1 | -49.5 | -170.2 | 167.1 | 0 | 0 | 121.5 | ||||
| 34 | T | 45.5 | Very low | 43.4 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | 172.6 | 144.2 | 98.4 | 38.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 35 | N | 40.5 | Very low | 43.3 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -64.1 | 151.5 | -176.2 | -62.2 | -70.9 | 0 | 0 | 0 | 114.6 | ||||
| 36 | F | 41.5 | Very low | 43.7 | Very low | 223 Ų | 223 | 150 Ų | 150 | 98% | 0.978 | 80% | 0.802 | S | S | * | * | -158.9 | 141.6 | 125.8 | -100 | -73.3 | 0 | 0 | 0 | 111.1 | |||||
| 37 | K | 40.8 | Very low | 43.8 | Very low | 190 Ų | 190 | 149.6 Ų | 149.6 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -109 | 176.4 | -165.4 | -159.9 | 173.1 | -176 | -176.1 | 0 | 109 | ||||
| 38 | C | 39.8 | Very low | 43.8 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | trans | 100.8 | 139.4 | 165.9 | -55 | 0 | 0 | 0 | 0 | 115 | ||||
| 39 | T | 47.5 | Very low | 44.3 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | cis | -177.3 | 134.9 | -13 | 30.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 40 | N | 44.2 | Very low | 44.2 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | 31.3 | 131.1 | 143.7 | -51.5 | -22.5 | 0 | 0 | 0 | 123 | ||||
| 41 | G | 44.7 | Very low | 44.7 | Very low | 73 Ų | 73 | 152.3 Ų | 152.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 175.1 | 143.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 42 | P | 47.9 | Very low | 44.4 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -115.2 | 177.2 | -140.7 | 39.2 | -26.5 | 0 | 0 | 0 | 118.1 | ||||
| 43 | T | 41.8 | Very low | 44.8 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | trans | -42.2 | 148.1 | 176.8 | 47.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 44 | Y | 46.2 | Very low | 44.6 | Very low | 226 Ų | 226 | 151.8 Ų | 151.8 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | trans | -132.1 | 124.3 | 148.1 | -82 | -86.4 | 0 | 0 | 0 | 110.2 | ||||
| 45 | N | 43 | Very low | 44.7 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -104.8 | 140.6 | 166.4 | -99.2 | -35.9 | 0 | 0 | 0 | 107.7 | ||||
| 46 | I | 51.7 | Low | 44.8 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -133.5 | 117.7 | 170.3 | -68.4 | 172.3 | 0 | 0 | 0 | 108.8 | ||||
| 47 | D | 43.9 | Very low | 44.6 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 45.2 | 114.6 | 145.5 | -53.6 | -24.8 | 0 | 0 | 0 | 120.7 | ||||
| 48 | L | 46.1 | Very low | 44.5 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | 72.4 | 97.2 | 66.3 | -152.7 | 95.6 | 0 | 0 | 0 | 113.8 | |||||
| 49 | L | 49.3 | Very low | 44.5 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -160.1 | 118.3 | 145.6 | -110.5 | 135.6 | 0 | 0 | 0 | 110.9 | ||||
| 50 | Q | 44.1 | Very low | 44.2 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | trans | -109 | 137.3 | -174.5 | -175.9 | 177.7 | 27.4 | 0 | 0 | 108.2 | Q52 | Q50-Q52 HydrophobicContact CG-CG 4.47Š| ||
| 51 | W | 48.3 | Very low | 44 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -128 | 116.3 | 160.2 | -86.4 | 86.2 | 0 | 0 | 0 | 109.3 | ||||
| 52 | Q | 38 | Very low | 43.9 | Very low | 130 Ų | 130 | 151 Ų | 151 | 61% | 0.607 | 79% | 0.789 | S | S | * | * | trans | -87.4 | 143.9 | 174.2 | -74.4 | 166.5 | -47.9 | 0 | 0 | 110.4 | Q50 | Q50-Q52 HydrophobicContact CG-CG 4.47Š| ||
| 53 | T | 51.9 | Low | 43.6 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -133.4 | 108.1 | 145.7 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 54 | N | 39.6 | Very low | 43.6 | Very low | 124 Ų | 124 | 158 Ų | 158 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | -78 | 150 | 167.7 | -67.5 | -43.8 | 0 | 0 | 0 | 109.4 | ||||
| 55 | T | 48.5 | Very low | 43.2 | Very low | 141 Ų | 141 | 154.8 Ų | 154.8 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | 176.2 | 152.3 | 119.5 | 32.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 56 | P | 42.3 | Very low | 43.1 | Very low | 116 Ų | 116 | 158.8 Ų | 158.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -113.5 | 172.4 | -142 | 39.7 | -29.1 | 0 | 0 | 0 | 115.3 | ||||
| 57 | S | 37 | Very low | 42.4 | Very low | 106 Ų | 106 | 159 Ų | 159 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -61.5 | 134.5 | 169.8 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 58 | N | 39.6 | Very low | 42.4 | Very low | 153 Ų | 153 | 159.7 Ų | 159.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -168 | 129.9 | 138.7 | -115.9 | -21.9 | 0 | 0 | 0 | 114.8 | ||||
| 59 | S | 37.9 | Very low | 42.7 | Very low | 94 Ų | 94 | 163.3 Ų | 163.3 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | trans | 76.2 | 145.3 | 140.7 | 84.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 60 | L | 41.9 | Very low | 43.1 | Very low | 156 Ų | 156 | 166.8 Ų | 166.8 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | 81.6 | 85.6 | 166 | -55.9 | 169.6 | 0 | 0 | 0 | 113.5 | ||||
| 61 | D | 40.6 | Very low | 44.2 | Very low | 154 Ų | 154 | 167.2 Ų | 167.2 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | 54.9 | 134.4 | 69.1 | -147.4 | 5.5 | 0 | 0 | 0 | 112.5 | |||||
| 62 | R | 42 | Very low | 45.7 | Very low | 220 Ų | 220 | 160.3 Ų | 160.3 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | 81.5 | 95.4 | 173 | -147.3 | -178.6 | -81.5 | -142.1 | -1.8 | 116 | ||||
| 63 | L | 41.7 | Very low | 48.1 | Very low | 170 Ų | 170 | 162.2 Ų | 162.2 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | 179.6 | 119.4 | 110 | -89.3 | 166.3 | 0 | 0 | 0 | 111.6 | |||||
| 64 | R | 41.8 | Very low | 49.5 | Very low | 228 Ų | 228 | 161.4 Ų | 161.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -75.3 | 156.7 | 174.2 | -97.8 | 179.2 | 172 | 121.6 | -2.2 | 111.3 | ||||
| 65 | L | 38.7 | Very low | 51.6 | Low | 158 Ų | 158 | 163.6 Ų | 163.6 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 70.2 | 106 | 159.6 | -83.7 | 82.1 | 0 | 0 | 0 | 118.4 | ||||
| 66 | R | 39.4 | Very low | 53.4 | Low | 245 Ų | 245 | 160.4 Ų | 160.4 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | -165.1 | 126.9 | 115.7 | -121.2 | 176.9 | 172.3 | -157 | -1.5 | 112.3 | N68 | R66-N68 PolarHBondContact O-N 2.85Å; R66-N68 VanDerWaalsContact O-N 3.11Å | |||
| 67 | N | 38.8 | Very low | 55.7 | Low | 150 Ų | 150 | 159.7 Ų | 159.7 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | -56.8 | 105.4 | 173 | -72.2 | -38.5 | 0 | 0 | 0 | 111.4 | ||||
| 68 | N | 42.9 | Very low | 58.2 | Low | 157 Ų | 157 | 158.8 Ų | 158.8 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | trans | -105.6 | 85.8 | 158.7 | -94.7 | -18.7 | 0 | 0 | 0 | 108.1 | R66 R70 | R66-N68 PolarHBondContact O-N 2.85Å; R66-N68 VanDerWaalsContact O-N 3.11Å; N68-R70 PolarHBondContact O-N 2.95Å | ||
| 69 | R | 52.7 | Low | 60.6 | Low | 230 Ų | 230 | 157.7 Ų | 157.7 | 87% | 0.868 | 72% | 0.715 | S | S | * | * | trans | -61.8 | 89.9 | 164.1 | -73.1 | -178.9 | -178.9 | 163.8 | 0.1 | 107.3 | K71 | R69-K71 PolarHBondContact O-N 3.35Å; R69-K71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | R | 57.3 | Low | 63.3 | Low | 238 Ų | 238 | 157.8 Ų | 157.8 | 90% | 0.898 | 71% | 0.705 | S | S | * | * | trans | -56.6 | 117.8 | 162 | -87.5 | -179.6 | 168 | 152.5 | -3.3 | 106.2 | N68 D72 | N68-R70 PolarHBondContact O-N 2.95Å; R70-D72 PolarHBondContact O-N 3.4Å; R70-D72 VanDerWaalsContact O-N 3.11Å | ||
| 71 | K | 67.4 | Low | 65.7 | Low | 155 Ų | 155 | 155.3 Ų | 155.3 | 67% | 0.674 | 69% | 0.692 | S | S | * | * | trans | -59.1 | 113.7 | 176.3 | -71.8 | 175.3 | 176.6 | 178.2 | 0 | 107.6 | R69 Y73 | R69-K71 PolarHBondContact O-N 3.35Å; R69-K71 VanDerWaalsContact O-N 3.14Å; K71-Y73 VanDerWaalsContact C-N 3.26Å; K71-Y73 HydrophobicContact CB-CE1 4.14Å; K71-Y73 VanDerWaalsContact O-CD2 3.27Å; K71-Y73 WeakPolarHBondContact O-CD2 3.43Å; K71-Y73 WeakPolarHBondContact O-CE2 3.35Å; K71-Y73 PolarHBondContact O-N 2.92Å | ||
| 72 | D | 80.6 | Confident | 68 | Low | 94 Ų | 94 | 155.5 Ų | 155.5 | 50% | 0.503 | 68% | 0.681 | S | S | . | * | trans | -70.1 | 86.9 | 168.1 | -92.5 | -20.7 | 0 | 0 | 0 | 107.7 | R70 I74 R75 E76 | R70-D72 PolarHBondContact O-N 3.4Å; R70-D72 VanDerWaalsContact O-N 3.11Å; D72-I74 PolarHBondContact O-N 3.42Å; D72-I74 VanDerWaalsContact O-N 3.12Å; D72-R75 HydrophobicContact CB-CB 3.64Å; D72-R75 PolarHBondContact O-N 3.2Å; D72-R75 IonicContact OD2-NE 3.9Å; D72-E76 PolarHBondContact O-N 2.99Å | ||
| 73 | Y | 86.6 | Confident | 70.4 | Confident | 170 Ų | 170 | 150.1 Ų | 150.1 | 67% | 0.667 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -55 | -30.4 | 178.1 | -57.9 | -77.1 | 0 | 0 | 0 | 111.8 | K71 N77 | K71-Y73 VanDerWaalsContact C-N 3.26Å; K71-Y73 HydrophobicContact CB-CE1 4.14Å; K71-Y73 VanDerWaalsContact O-CD2 3.27Å; K71-Y73 WeakPolarHBondContact O-CD2 3.43Å; K71-Y73 WeakPolarHBondContact O-CE2 3.35Å; K71-Y73 PolarHBondContact O-N 2.92Å; Y73-N77 VanDerWaalsContact O-CB 3.25Å; Y73-N77 WeakPolarHBondContact O-CB 3.21Å; Y73-N77 PolarHBondContact O-N 3.28Å |
| 74 | I | 81.4 | Confident | 72.7 | Confident | 131 Ų | 131 | 147.1 Ų | 147.1 | 67% | 0.672 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.3 | -47.5 | 174 | -60.7 | 172.5 | 0 | 0 | 0 | 110.7 | D72 N77 I78 | D72-I74 PolarHBondContact O-N 3.42Å; D72-I74 VanDerWaalsContact O-N 3.12Å; I74-N77 PolarHBondContact O-N 2.64Å; I74-I78 HydrophobicContact CG2-CD1 3.88Å; I74-I78 WeakPolarHBondContact O-CB 3.33Å; I74-I78 VanDerWaalsContact O-CG1 3.24Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.07Å |
| 75 | R | 85.3 | Confident | 74.8 | Confident | 169 Ų | 169 | 142.3 Ų | 142.3 | 64% | 0.638 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.2 | -38.6 | -178.6 | -168 | -175.7 | -73.1 | -103.5 | 2.4 | 111.7 | D72 R79 | D72-R75 HydrophobicContact CB-CB 3.64Å; D72-R75 PolarHBondContact O-N 3.2Å; D72-R75 IonicContact OD2-NE 3.9Å; R75-R79 WeakPolarHBondContact O-CB 3.45Å; R75-R79 PolarHBondContact O-N 2.88Å |
| 76 | E | 86.7 | Confident | 77.2 | Confident | 74 Ų | 74 | 139.8 Ų | 139.8 | 35% | 0.346 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.6 | -42.8 | 174.7 | -75.3 | -72.7 | 124.9 | 0 | 0 | 112 | D72 I78 R79 H80 | D72-E76 PolarHBondContact O-N 2.99Å; E76-I78 PolarHBondContact O-N 2.7Å; E76-R79 WeakPolarHBondContact O-CB 3.26Å; E76-R79 PolarHBondContact O-N 2.99Å; E76-R79 VanDerWaalsContact O-N 3.15Å; E76-R79 IonicContact OE1-CZ 2.71Å; E76-R79 IonicContact OE1-NH1 2.71Å; E76-R79 PolarHBondContact OE1-NH1 3.21Å; E76-R79 IonicContact OE1-NH2 3.35Å; E76-H80 PolarHBondContact O-N 3.02Å |
| 77 | N | 89.5 | Confident | 79.5 | Confident | 101 Ų | 101 | 130.4 Ų | 130.4 | 54% | 0.54 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.9 | -41.1 | 175.4 | -82.8 | -6.3 | 0 | 0 | 0 | 112.3 | Y73 I74 R79 H80 L81 | Y73-N77 VanDerWaalsContact O-CB 3.25Å; Y73-N77 WeakPolarHBondContact O-CB 3.21Å; Y73-N77 PolarHBondContact O-N 3.28Å; I74-N77 PolarHBondContact O-N 2.64Å; N77-R79 VanDerWaalsContact C-N 3.31Å; N77-R79 PolarHBondContact O-N 2.94Å; N77-H80 PolarHBondContact O-N 3.03Å; N77-L81 WeakPolarHBondContact O-CB 3.45Å; N77-L81 PolarHBondContact O-N 3.21Å |
| 78 | I | 89.4 | Confident | 81.5 | Confident | 87 Ų | 87 | 129.5 Ų | 129.5 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.6 | -39.9 | 173.9 | -68.7 | 167.2 | 0 | 0 | 0 | 110.6 | I74 E76 R82 | I74-I78 HydrophobicContact CG2-CD1 3.88Å; I74-I78 WeakPolarHBondContact O-CB 3.33Å; I74-I78 VanDerWaalsContact O-CG1 3.24Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.07Å; E76-I78 PolarHBondContact O-N 2.7Å; I78-R82 WeakPolarHBondContact O-CB 3.39Å; I78-R82 PolarHBondContact O-N 2.88Å |
| 79 | R | 91.1 | Very high | 83.4 | Confident | 130 Ų | 130 | 124 Ų | 124 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.2 | -45 | 176.2 | -171.9 | -170.9 | -73.5 | 156.6 | 2.4 | 111.4 | R75 E76 N77 R82 Q83 | R75-R79 WeakPolarHBondContact O-CB 3.45Å; R75-R79 PolarHBondContact O-N 2.88Å; E76-R79 WeakPolarHBondContact O-CB 3.26Å; E76-R79 PolarHBondContact O-N 2.99Å; E76-R79 VanDerWaalsContact O-N 3.15Å; E76-R79 IonicContact OE1-CZ 2.71Å; E76-R79 IonicContact OE1-NH1 2.71Å; E76-R79 PolarHBondContact OE1-NH1 3.21Å; E76-R79 IonicContact OE1-NH2 3.35Å; N77-R79 VanDerWaalsContact C-N 3.31Å; N77-R79 PolarHBondContact O-N 2.94Å; R79-R82 PolarHBondContact O-N 2.94Å; R79-Q83 WeakPolarHBondContact O-CG 3.33Å; R79-Q83 PolarHBondContact O-N 3.44Å |
| 80 | H | 93.4 | Very high | 84.5 | Confident | 96 Ų | 96 | 119.3 Ų | 119.3 | 44% | 0.444 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.8 | -42.6 | 176.8 | -75.7 | 161 | 0 | 0 | 0 | 112.6 | E76 N77 R82 Q83 L84 | E76-H80 PolarHBondContact O-N 3.02Å; N77-H80 PolarHBondContact O-N 3.03Å; H80-R82 VanDerWaalsContact C-N 3.32Å; H80-R82 PolarHBondContact O-N 3.44Å; H80-Q83 PolarHBondContact O-N 3.44Å; H80-L84 WeakPolarHBondContact O-CG 3.46Å; H80-L84 PolarHBondContact O-N 2.94Å |
| 81 | L | 91.7 | Very high | 85.6 | Confident | 104 Ų | 104 | 115.1 Ų | 115.1 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 174.8 | -87.7 | 161.5 | 0 | 0 | 0 | 111.5 | N77 Q83 L84 E85 | N77-L81 WeakPolarHBondContact O-CB 3.45Å; N77-L81 PolarHBondContact O-N 3.21Å; L81-Q83 PolarHBondContact O-N 3.38Å; L81-L84 WeakPolarHBondContact O-CB 3.43Å; L81-L84 PolarHBondContact O-N 3Å; L81-E85 WeakPolarHBondContact O-CG 3.11Å; L81-E85 PolarHBondContact O-N 3.31Å |
| 82 | R | 90.4 | Very high | 86.2 | Confident | 159 Ų | 159 | 114.1 Ų | 114.1 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -38.8 | 178 | -152.1 | 177.8 | -70.1 | -141.9 | -1.5 | 112.1 | I78 R79 H80 E85 D86 | I78-R82 WeakPolarHBondContact O-CB 3.39Å; I78-R82 PolarHBondContact O-N 2.88Å; R79-R82 PolarHBondContact O-N 2.94Å; H80-R82 VanDerWaalsContact C-N 3.32Å; H80-R82 PolarHBondContact O-N 3.44Å; R82-E85 PolarHBondContact O-N 2.94Å; R82-D86 WeakPolarHBondContact O-CB 3.36Å; R82-D86 VanDerWaalsContact O-CG 3.31Å; R82-D86 PolarHBondContact O-N 3.16Å |
| 83 | Q | 91.2 | Very high | 86 | Confident | 106 Ų | 106 | 117 Ų | 117 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 172.6 | -77.1 | 173.5 | -11.5 | 0 | 0 | 112.6 | R79 H80 L81 D86 S87 | R79-Q83 WeakPolarHBondContact O-CG 3.33Å; R79-Q83 PolarHBondContact O-N 3.44Å; H80-Q83 PolarHBondContact O-N 3.44Å; L81-Q83 PolarHBondContact O-N 3.38Å; Q83-D86 PolarHBondContact O-N 2.96Å; Q83-S87 WeakPolarHBondContact O-CB 3.35Å; Q83-S87 PolarHBondContact O-N 3.25Å |
| 84 | L | 89.9 | Confident | 85.4 | Confident | 107 Ų | 107 | 111.8 Ų | 111.8 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.2 | -44.7 | 174.9 | -75.9 | 171.4 | 0 | 0 | 0 | 111.2 | H80 L81 S87 M88 | H80-L84 WeakPolarHBondContact O-CG 3.46Å; H80-L84 PolarHBondContact O-N 2.94Å; L81-L84 WeakPolarHBondContact O-CB 3.43Å; L81-L84 PolarHBondContact O-N 3Å; L84-S87 PolarHBondContact O-N 3.48Å; L84-S87 PolarHBondContact O-OG 3.19Å; L84-M88 WeakPolarHBondContact O-CB 3.21Å; L84-M88 VanDerWaalsContact O-CG 3.24Å; L84-M88 WeakPolarHBondContact O-CG 3.45Å; L84-M88 PolarHBondContact O-N 3.3Å |
| 85 | E | 85.9 | Confident | 85.1 | Confident | 128 Ų | 128 | 108.6 Ų | 108.6 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.9 | -45.5 | 173.9 | -72.5 | 175.7 | 168.6 | 0 | 0 | 111.7 | L81 R82 S87 M88 A89 | L81-E85 WeakPolarHBondContact O-CG 3.11Å; L81-E85 PolarHBondContact O-N 3.31Å; R82-E85 PolarHBondContact O-N 2.94Å; E85-S87 VanDerWaalsContact C-N 3.34Å; E85-S87 PolarHBondContact O-N 3.04Å; E85-M88 PolarHBondContact O-N 2.78Å; E85-A89 VanDerWaalsContact O-CB 3.27Å; E85-A89 WeakPolarHBondContact O-CB 3.46Å; E85-A89 PolarHBondContact O-N 2.92Å |
| 86 | D | 89.2 | Confident | 84.5 | Confident | 104 Ų | 104 | 107 Ų | 107 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -39.4 | 176.3 | -73.9 | -24.8 | 0 | 0 | 0 | 111.5 | R82 Q83 A89 F90 | R82-D86 WeakPolarHBondContact O-CB 3.36Å; R82-D86 VanDerWaalsContact O-CG 3.31Å; R82-D86 PolarHBondContact O-N 3.16Å; Q83-D86 PolarHBondContact O-N 2.96Å; D86-A89 PolarHBondContact O-N 3.46Å; D86-F90 WeakPolarHBondContact O-CB 3.39Å; D86-F90 PolarHBondContact O-N 2.97Å |
| 87 | S | 87.8 | Confident | 83.7 | Confident | 48 Ų | 48 | 111.4 Ų | 111.4 | 34% | 0.336 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67 | -37 | 176.4 | 84 | 0 | 0 | 0 | 0 | 112.5 | Q83 L84 E85 K91 | Q83-S87 WeakPolarHBondContact O-CB 3.35Å; Q83-S87 PolarHBondContact O-N 3.25Å; L84-S87 PolarHBondContact O-N 3.48Å; L84-S87 PolarHBondContact O-OG 3.19Å; E85-S87 VanDerWaalsContact C-N 3.34Å; E85-S87 PolarHBondContact O-N 3.04Å; S87-K91 WeakPolarHBondContact O-CB 3.4Å; S87-K91 WeakPolarHBondContact O-CG 3.37Å; S87-K91 PolarHBondContact O-N 3.04Å |
| 88 | M | 81.1 | Confident | 82.4 | Confident | 132 Ų | 132 | 110 Ų | 110 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.6 | -40.4 | 176.8 | -71.2 | -77.1 | -86.1 | 0 | 0 | 110.7 | L84 E85 F90 K91 K92 | L84-M88 WeakPolarHBondContact O-CB 3.21Å; L84-M88 VanDerWaalsContact O-CG 3.24Å; L84-M88 WeakPolarHBondContact O-CG 3.45Å; L84-M88 PolarHBondContact O-N 3.3Å; E85-M88 PolarHBondContact O-N 2.78Å; M88-F90 VanDerWaalsContact C-N 3.34Å; M88-K91 PolarHBondContact O-N 2.64Å; M88-K92 VanDerWaalsContact O-CB 3.24Å; M88-K92 WeakPolarHBondContact O-CB 3.43Å; M88-K92 PolarHBondContact O-N 3.11Å |
| 89 | A | 82.1 | Confident | 80.7 | Confident | 41 Ų | 41 | 109.5 Ų | 109.5 | 34% | 0.339 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -35.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | E85 D86 R93 | E85-A89 VanDerWaalsContact O-CB 3.27Å; E85-A89 WeakPolarHBondContact O-CB 3.46Å; E85-A89 PolarHBondContact O-N 2.92Å; D86-A89 PolarHBondContact O-N 3.46Å; A89-R93 WeakPolarHBondContact O-CB 3.24Å; A89-R93 PolarHBondContact O-N 2.94Å |
| 90 | F | 77.4 | Confident | 78.7 | Confident | 132 Ų | 132 | 108 Ų | 108 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68 | -49 | 172.8 | -177.6 | -98.2 | 0 | 0 | 0 | 111 | D86 M88 K92 R93 V94 | D86-F90 WeakPolarHBondContact O-CB 3.39Å; D86-F90 PolarHBondContact O-N 2.97Å; M88-F90 VanDerWaalsContact C-N 3.34Å; F90-K92 VanDerWaalsContact C-N 3.3Å; F90-K92 PolarHBondContact O-N 3.14Å; F90-R93 PolarHBondContact O-N 3.22Å; F90-V94 HydrophobicContact CD1-CG2 4.09Å; F90-V94 HydrophobicContact CE1-CG2 3.71Å; F90-V94 HydrophobicContact CE2-CG2 4.23Å; F90-V94 HydrophobicContact CZ-CG2 3.78Å; F90-V94 WeakPolarHBondContact O-CG2 3.45Å; F90-V94 PolarHBondContact O-N 3.1Å |
| 91 | K | 78.8 | Confident | 76.1 | Confident | 149 Ų | 149 | 108.7 Ų | 108.7 | 65% | 0.648 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60 | -38.8 | 174.9 | -79.9 | -177.2 | 178.3 | -175.3 | 0 | 112.3 | S87 M88 V94 A95 | S87-K91 WeakPolarHBondContact O-CB 3.4Å; S87-K91 WeakPolarHBondContact O-CG 3.37Å; S87-K91 PolarHBondContact O-N 3.04Å; M88-K91 PolarHBondContact O-N 2.64Å; K91-V94 PolarHBondContact O-N 3.36Å; K91-A95 VanDerWaalsContact O-CB 3.27Å; K91-A95 WeakPolarHBondContact O-CB 3.24Å; K91-A95 PolarHBondContact O-N 2.69Å |
| 92 | K | 80.9 | Confident | 74 | Confident | 135 Ų | 135 | 110.6 Ų | 110.6 | 59% | 0.587 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.8 | -44.4 | 174.9 | -171.6 | 177.5 | 177.9 | -175.2 | 0 | 111.6 | M88 F90 A95 E96 | M88-K92 VanDerWaalsContact O-CB 3.24Å; M88-K92 WeakPolarHBondContact O-CB 3.43Å; M88-K92 PolarHBondContact O-N 3.11Å; F90-K92 VanDerWaalsContact C-N 3.3Å; F90-K92 PolarHBondContact O-N 3.14Å; K92-A95 PolarHBondContact O-N 3.14Å; K92-E96 WeakPolarHBondContact CE-OE1 3.21Å; K92-E96 WeakPolarHBondContact O-CB 3.38Å; K92-E96 WeakPolarHBondContact O-CG 3.27Å; K92-E96 PolarHBondContact O-N 3.01Å |
| 93 | R | 75.4 | Confident | 71.9 | Confident | 153 Ų | 153 | 108.2 Ų | 108.2 | 58% | 0.577 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.5 | -40 | 174.3 | -96.5 | -175.3 | -79.5 | 175.5 | -7 | 112.9 | A89 F90 E96 Q97 | A89-R93 WeakPolarHBondContact O-CB 3.24Å; A89-R93 PolarHBondContact O-N 2.94Å; F90-R93 PolarHBondContact O-N 3.22Å; R93-E96 PolarHBondContact O-N 3.4Å; R93-Q97 WeakPolarHBondContact O-CG 3.46Å; R93-Q97 PolarHBondContact O-N 3.47Å |
| 94 | V | 75.9 | Confident | 69.8 | Low | 62 Ų | 62 | 109 Ų | 109 | 38% | 0.376 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68 | -40.2 | 176.7 | 174 | 0 | 0 | 0 | 0 | 110.7 | F90 K91 E96 Q97 C98 | F90-V94 HydrophobicContact CD1-CG2 4.09Å; F90-V94 HydrophobicContact CE1-CG2 3.71Å; F90-V94 HydrophobicContact CE2-CG2 4.23Å; F90-V94 HydrophobicContact CZ-CG2 3.78Å; F90-V94 WeakPolarHBondContact O-CG2 3.45Å; F90-V94 PolarHBondContact O-N 3.1Å; K91-V94 PolarHBondContact O-N 3.36Å; V94-E96 VanDerWaalsContact C-N 3.33Å; V94-E96 PolarHBondContact O-N 3.36Å; V94-Q97 PolarHBondContact O-N 3.21Å; V94-C98 WeakPolarHBondContact O-CB 3.48Å; V94-C98 PolarHBondContact O-N 2.78Å |
| 95 | A | 73.1 | Confident | 67.9 | Low | 64 Ų | 64 | 110.1 Ų | 110.1 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.9 | -27.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K91 K92 C98 | K91-A95 VanDerWaalsContact O-CB 3.27Å; K91-A95 WeakPolarHBondContact O-CB 3.24Å; K91-A95 PolarHBondContact O-N 2.69Å; K92-A95 PolarHBondContact O-N 3.14Å; A95-C98 CarbonylContact O-C 3.57Å |
| 96 | E | 73.2 | Confident | 65.6 | Low | 134 Ų | 134 | 111.5 Ų | 111.5 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.1 | -30.5 | 172.8 | -77.2 | 172.5 | -176.5 | 0 | 0 | 112.3 | K92 R93 V94 | K92-E96 WeakPolarHBondContact CE-OE1 3.21Å; K92-E96 WeakPolarHBondContact O-CB 3.38Å; K92-E96 WeakPolarHBondContact O-CG 3.27Å; K92-E96 PolarHBondContact O-N 3.01Å; R93-E96 PolarHBondContact O-N 3.4Å; V94-E96 VanDerWaalsContact C-N 3.33Å; V94-E96 PolarHBondContact O-N 3.36Å |
| 97 | Q | 71.3 | Confident | 63.3 | Low | 167 Ų | 167 | 117.3 Ų | 117.3 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -79.9 | -37.9 | 174.6 | -74.3 | -174.2 | 11.6 | 0 | 0 | 112.8 | R93 V94 G99 | R93-Q97 WeakPolarHBondContact O-CG 3.46Å; R93-Q97 PolarHBondContact O-N 3.47Å; V94-Q97 PolarHBondContact O-N 3.21Å; Q97-G99 PolarHBondContact O-N 2.71Å |
| 98 | C | 62.2 | Low | 61 | Low | 71 Ų | 71 | 120.3 Ų | 120.3 | 48% | 0.48 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -95.8 | 85.9 | 172 | -60.1 | 0 | 0 | 0 | 0 | 107.4 | V94 A95 T100 | V94-C98 WeakPolarHBondContact O-CB 3.48Å; V94-C98 PolarHBondContact O-N 2.78Å; A95-C98 CarbonylContact O-C 3.57Å; C98-T100 PolarHBondContact O-N 3.16Å; C98-T100 PolarHBondContact O-OG1 3.14Å |
| 99 | G | 52.5 | Low | 59.1 | Low | 78 Ų | 78 | 122.7 Ų | 122.7 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | trans | -62.2 | 39.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q97 | Q97-G99 PolarHBondContact O-N 2.71Š| ||
| 100 | T | 48.7 | Very low | 57 | Low | 97 Ų | 97 | 127.2 Ų | 127.2 | 60% | 0.595 | 68% | 0.679 | S | S | * | * | trans | -106.3 | 109.8 | 177.9 | 46.5 | 0 | 0 | 0 | 0 | 109.3 | C98 I102 | C98-T100 PolarHBondContact O-N 3.16Å; C98-T100 PolarHBondContact O-OG1 3.14Å; T100-I102 PolarHBondContact O-N 3.18Å | ||
| 101 | S | 40.1 | Very low | 55.4 | Low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -48 | 114.6 | 163.8 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 102 | I | 47.7 | Very low | 53.4 | Low | 144 Ų | 144 | 131.2 Ų | 131.2 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | -113.9 | 102.4 | 167.7 | -56.7 | 175.8 | 0 | 0 | 0 | 106.9 | T100 P104 | T100-I102 PolarHBondContact O-N 3.18Å; I102-P104 WeakPolarHBondContact O-CD 3.43Å | ||
| 103 | V | 44.9 | Very low | 51.6 | Low | 110 Ų | 110 | 132.7 Ų | 132.7 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 119.7 | 166 | 176.2 | 0 | 0 | 0 | 0 | 107.5 | T105 | V103-T105 PolarHBondContact O-N 3.03Š|
| 104 | P | 48.1 | Very low | 49.9 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 117.1 | 170.3 | -7.8 | 25.7 | 0 | 0 | 0 | 108.9 | I102 | I102-P104 WeakPolarHBondContact O-CD 3.43Š|
| 105 | T | 50.2 | Low | 48.2 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 130.3 | 170.7 | 32.3 | 0 | 0 | 0 | 0 | 110 | V103 | V103-T105 PolarHBondContact O-N 3.03Š|
| 106 | D | 38.1 | Very low | 46.7 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 129.5 | 162.5 | -90.1 | -36.1 | 0 | 0 | 0 | 110.1 | ||
| 107 | R | 40.2 | Very low | 45.2 | Very low | 227 Ų | 227 | 141.8 Ų | 141.8 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | 172.2 | 126 | 131.3 | -98 | 173.7 | 173.9 | 170.4 | -0.8 | 113.7 | ||||
| 108 | T | 39.5 | Very low | 43.7 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | trans | 79.1 | 119.8 | 136.7 | 69.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 109 | K | 41.8 | Very low | 42.8 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | 158.3 | 117.2 | 100.4 | -78.7 | -176.6 | -171.7 | 172.2 | 0 | 110.9 | |||||
| 110 | N | 37.6 | Very low | 42.1 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 43.4 | 124.5 | 136.2 | -63.9 | -11.4 | 0 | 0 | 0 | 120.5 | ||||
| 111 | K | 43.5 | Very low | 41.5 | Very low | 194 Ų | 194 | 153 Ų | 153 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | -170.8 | 111.8 | 110 | -97.8 | 160.6 | -177.3 | -175 | 0 | 111.7 | |||||
| 112 | F | 36.9 | Very low | 41.3 | Very low | 170 Ų | 170 | 158 Ų | 158 | 75% | 0.746 | 78% | 0.775 | S | S | * | * | trans | 24.6 | 128.6 | 144.5 | -54.2 | -85.5 | 0 | 0 | 0 | 120.3 | ||||
| 113 | I | 43 | Very low | 41.1 | Very low | 167 Ų | 167 | 157 Ų | 157 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | -157.6 | 125.2 | 115.2 | -88 | 143.9 | 0 | 0 | 0 | 107.8 | |||||
| 114 | T | 39.9 | Very low | 40.8 | Very low | 91 Ų | 91 | 159.7 Ų | 159.7 | 56% | 0.558 | 79% | 0.787 | S | S | * | * | trans | -95.3 | 136.5 | -178.1 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 115 | Y | 40.2 | Very low | 40.4 | Very low | 228 Ų | 228 | 159 Ų | 159 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -149.7 | 112 | 140.8 | -86.6 | -72.2 | 0 | 0 | 0 | 110.8 | ||||
| 116 | H | 41.2 | Very low | 39.8 | Very low | 150 Ų | 150 | 159.6 Ų | 159.6 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | trans | -28 | 151.6 | 152.8 | -87 | -94.3 | 0 | 0 | 0 | 115.5 | ||||
| 117 | N | 41.2 | Very low | 39.7 | Very low | 135 Ų | 135 | 160 Ų | 160 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | cis | -168.3 | 136.7 | 47 | -101.1 | -29.5 | 0 | 0 | 0 | 109.7 | ||||
| 118 | A | 39.8 | Very low | 39.6 | Very low | 79 Ų | 79 | 156 Ų | 156 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | 76.2 | 130.2 | 100.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 119 | Q | 43.6 | Very low | 39.3 | Very low | 194 Ų | 194 | 158 Ų | 158 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | cis | -157.3 | 144.7 | 33.3 | -107.6 | 146.5 | 27.7 | 0 | 0 | 111.9 | ||||
| 120 | T | 37.3 | Very low | 39.1 | Very low | 122 Ų | 122 | 157.4 Ų | 157.4 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -92.5 | 143.6 | 173 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | R122 | T120-R122 HydrophobicContact CG2-CG 4.29Š| ||
| 121 | R | 37.1 | Very low | 38.8 | Very low | 253 Ų | 253 | 156.1 Ų | 156.1 | 96% | 0.955 | 79% | 0.787 | S | S | * | * | trans | -129.5 | 119.5 | 148.6 | -99 | -171.5 | 176 | -154.4 | -0.5 | 110.1 | ||||
| 122 | R | 35.8 | Very low | 38.6 | Very low | 215 Ų | 215 | 152.4 Ų | 152.4 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -80.4 | 146.7 | 173.1 | -78.6 | 173.4 | 165.5 | 175 | -4.6 | 110.2 | T120 | T120-R122 HydrophobicContact CG2-CG 4.29Š| ||
| 123 | S | 42.7 | Very low | 38.5 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -145.9 | 124.5 | 143.9 | 46.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 124 | Q | 38.4 | Very low | 38.3 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -96 | 145 | 177.3 | -68.9 | 178.2 | -34.6 | 0 | 0 | 110 | ||||
| 125 | S | 39.6 | Very low | 38 | Very low | 109 Ų | 109 | 152.2 Ų | 152.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -176.3 | 103.7 | 144.5 | 52 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 126 | N | 37.4 | Very low | 37.8 | Very low | 143 Ų | 143 | 151.1 Ų | 151.1 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | 75.5 | 115.3 | 85.5 | -80.1 | 6.2 | 0 | 0 | 0 | 113.6 | |||||
| 127 | E | 37.5 | Very low | 37.6 | Very low | 163 Ų | 163 | 150.8 Ų | 150.8 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 121.8 | 132.2 | 136.3 | -54.8 | -137.4 | 155.2 | 0 | 0 | 118.5 | ||||
| 128 | N | 37.6 | Very low | 37.3 | Very low | 143 Ų | 143 | 151 Ų | 151 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | 96 | 82 | 154.3 | -57.9 | -29.4 | 0 | 0 | 0 | 119.8 | ||||
| 129 | L | 34.1 | Very low | 37.1 | Very low | 154 Ų | 154 | 151.9 Ų | 151.9 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -34.4 | 134.8 | 136.4 | -101.3 | 67.4 | 0 | 0 | 0 | 113.1 | ||||
| 130 | I | 36.6 | Very low | 36.7 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | -153.7 | 117.4 | 126.1 | -89.4 | 145.8 | 0 | 0 | 0 | 105.8 | |||||
| 131 | S | 31.7 | Very low | 36.8 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -96.8 | 140.7 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 132 | S | 39.5 | Very low | 36.6 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -145.8 | 86.6 | 156.1 | 47.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 133 | E | 35.2 | Very low | 36.7 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -99.1 | 121.1 | 165.2 | -85 | -176.6 | 159.9 | 0 | 0 | 109.2 | ||||
| 134 | T | 37.3 | Very low | 36.2 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -89.1 | 103.8 | 171 | -18.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 135 | T | 33.4 | Very low | 36.3 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | trans | -80.1 | 127.7 | 169.9 | 45.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 136 | F | 37.3 | Very low | 36.3 | Very low | 205 Ų | 205 | 145.7 Ų | 145.7 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | trans | -110.2 | 112.2 | 155.3 | -88.2 | -78.7 | 0 | 0 | 0 | 109.6 | ||||
| 137 | N | 36.4 | Very low | 36.5 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -79.4 | 142.7 | 176.2 | -76.8 | -35.6 | 0 | 0 | 0 | 111.2 | ||||
| 138 | T | 34.7 | Very low | 36.7 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -143.6 | 102.2 | 149.7 | -49.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 139 | S | 36 | Very low | 36.9 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -85.7 | 129.5 | 176.2 | 72.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 140 | N | 34.4 | Very low | 37.3 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -88.8 | 125.8 | 157.2 | -73.4 | -50.2 | 0 | 0 | 0 | 108.5 | ||||
| 141 | Q | 40 | Very low | 37.2 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -134.7 | 117.9 | 159 | -76.9 | -170.4 | 38 | 0 | 0 | 109.2 | ||||
| 142 | S | 33.4 | Very low | 37.5 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -120.3 | 124.9 | 163.8 | 55.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 143 | L | 37.2 | Very low | 37.3 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -151.1 | 98.6 | 170 | -98.6 | 154.2 | 0 | 0 | 0 | 110 | ||||
| 144 | T | 32.5 | Very low | 37.6 | Very low | 121 Ų | 121 | 148 Ų | 148 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 14.6 | 137.5 | 139.5 | 60.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 145 | K | 39.7 | Very low | 37.6 | Very low | 196 Ų | 196 | 148 Ų | 148 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -172.9 | 101.6 | 134.3 | -101.9 | 166.7 | -177 | -177.6 | 0 | 110.5 | ||||
| 146 | T | 40.1 | Very low | 37.6 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | 57.8 | 102.3 | 107.6 | 56.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 147 | A | 42 | Very low | 37.7 | Very low | 94 Ų | 94 | 147.4 Ų | 147.4 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | 102.9 | 165.2 | 79 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 148 | P | 41.9 | Very low | 37.7 | Very low | 111 Ų | 111 | 148 Ų | 148 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | cis | -134.4 | -174.2 | -46.4 | 32.2 | -11.3 | 0 | 0 | 0 | 113 | ||||
| 149 | I | 41.8 | Very low | 37.8 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | 148.1 | 132.4 | 134.4 | -73.1 | 164.6 | 0 | 0 | 0 | 114.5 | ||||
| 150 | K | 41.9 | Very low | 38 | Very low | 185 Ų | 185 | 152.3 Ų | 152.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 92.9 | 99.8 | 155.1 | -82.5 | 160.1 | -161.4 | -175.2 | 0 | 121.9 | ||||
| 151 | H | 35.6 | Very low | 38.2 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -28.5 | 138 | 154.5 | -35.5 | -77 | 0 | 0 | 0 | 117.8 | ||||
| 152 | N | 37.6 | Very low | 37.9 | Very low | 165 Ų | 165 | 153 Ų | 153 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | -156.7 | 137 | 121.3 | -140.5 | -11.9 | 0 | 0 | 0 | 112 | |||||
| 153 | K | 36 | Very low | 37.9 | Very low | 193 Ų | 193 | 152.7 Ų | 152.7 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -88.8 | 134.8 | -179.6 | -70.3 | 169.1 | 174.6 | 172.7 | 0 | 109.3 | ||||
| 154 | H | 40.2 | Very low | 37.6 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | 176.1 | 142.6 | 119.2 | -124.4 | 28.1 | 0 | 0 | 0 | 113 | |||||
| 155 | N | 37.8 | Very low | 37.9 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 89.3 | 108.9 | 148 | -61.7 | -22.2 | 0 | 0 | 0 | 121.5 | ||||
| 156 | H | 34.3 | Very low | 37.8 | Very low | 196 Ų | 196 | 152 Ų | 152 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -54.1 | 138 | 159.8 | -77.1 | -81.3 | 0 | 0 | 0 | 114 | ||||
| 157 | S | 38.1 | Very low | 37.5 | Very low | 102 Ų | 102 | 153.5 Ų | 153.5 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | -165.5 | 116.2 | 129.2 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 158 | I | 36.7 | Very low | 37.3 | Very low | 154 Ų | 154 | 156.8 Ų | 156.8 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | 40.1 | 103 | 134.5 | -53.3 | 164 | 0 | 0 | 0 | 116.4 | Q160 | I158-Q160 HydrophobicContact CG2-CG 4.35Š| ||
| 159 | I | 36.4 | Very low | 37.1 | Very low | 147 Ų | 147 | 159.6 Ų | 159.6 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | -105.1 | 106.5 | 161.5 | -64.2 | 174 | 0 | 0 | 0 | 107.6 | N161 | I159-N161 WeakPolarHBondContact CG2-OD1 3.44Š| ||
| 160 | Q | 39.8 | Very low | 37.1 | Very low | 180 Ų | 180 | 160.9 Ų | 160.9 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | -89.6 | 108.7 | 157.8 | -73 | -173.1 | -6.2 | 0 | 0 | 107.2 | I158 K162 | I158-Q160 HydrophobicContact CG2-CG 4.35Å; Q160-K162 PolarHBondContact O-N 3.14Å | ||
| 161 | N | 38.7 | Very low | 36.9 | Very low | 146 Ų | 146 | 157.4 Ų | 157.4 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -74.5 | 112.1 | 173 | -75 | -24.2 | 0 | 0 | 0 | 109.6 | I159 | I159-N161 WeakPolarHBondContact CG2-OD1 3.44Š| ||
| 162 | K | 33.8 | Very low | 37.1 | Very low | 206 Ų | 206 | 156.7 Ų | 156.7 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | trans | -135.1 | 93.2 | 163 | -149.5 | 170 | -172.6 | 177.8 | 0 | 106.8 | Q160 | Q160-K162 PolarHBondContact O-N 3.14Š| ||
| 163 | C | 33.3 | Very low | 36.9 | Very low | 110 Ų | 110 | 156 Ų | 156 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | -85.6 | 121.1 | 175 | 32.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 164 | N | 32 | Very low | 36.9 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -143.3 | 105.7 | 152.6 | -91.3 | -11.2 | 0 | 0 | 0 | 104.9 | ||||
| 165 | T | 38.8 | Very low | 36.5 | Very low | 134 Ų | 134 | 157.3 Ų | 157.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -107.5 | 109.8 | 170.8 | 27.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 166 | D | 36.8 | Very low | 36.2 | Very low | 157 Ų | 157 | 156.6 Ų | 156.6 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | 23.7 | 134.3 | 138.9 | -60.4 | -38.6 | 0 | 0 | 0 | 122 | ||||
| 167 | L | 33.2 | Very low | 36.3 | Very low | 159 Ų | 159 | 155.2 Ų | 155.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -65.2 | 144.7 | 168.9 | -65.6 | 151.3 | 0 | 0 | 0 | 112.5 | ||||
| 168 | N | 39.7 | Very low | 35.9 | Very low | 163 Ų | 163 | 155 Ų | 155 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -143.8 | 97.9 | 144.6 | -80.9 | -39.3 | 0 | 0 | 0 | 105.9 | ||||
| 169 | K | 36.3 | Very low | 35.9 | Very low | 170 Ų | 170 | 155.3 Ų | 155.3 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | 46.4 | 102.3 | 97 | -84 | -163.4 | 172.9 | -152.7 | 0 | 114.3 | |||||
| 170 | I | 42.4 | Very low | 35.6 | Very low | 167 Ų | 167 | 155.9 Ų | 155.9 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -133.9 | 117.2 | 143.1 | -63.8 | -178.3 | 0 | 0 | 0 | 106 | ||||
| 171 | D | 38.3 | Very low | 35.3 | Very low | 113 Ų | 113 | 155 Ų | 155 | 60% | 0.604 | 81% | 0.806 | S | S | * | * | trans | -71.6 | 146.4 | 175.9 | -63.6 | -46.5 | 0 | 0 | 0 | 110.4 | ||||
| 172 | N | 39 | Very low | 34.9 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -161.8 | 107.5 | 142.6 | -96 | -27.9 | 0 | 0 | 0 | 108.9 | ||||
| 173 | D | 32.5 | Very low | 34.7 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -68.2 | 135.9 | 171.8 | -68 | -47.7 | 0 | 0 | 0 | 110.9 | ||||
| 174 | Q | 36.6 | Very low | 34.5 | Very low | 185 Ų | 185 | 151 Ų | 151 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | -171.1 | 127.9 | 126.3 | -109.3 | 168.2 | 9 | 0 | 0 | 113 | |||||
| 175 | Y | 32.7 | Very low | 34.4 | Very low | 199 Ų | 199 | 149.5 Ų | 149.5 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | 80.7 | 85 | 143.9 | -119.4 | -97.7 | 0 | 0 | 0 | 120.7 | ||||
| 176 | V | 31.4 | Very low | 34.1 | Very low | 117 Ų | 117 | 151 Ų | 151 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | 12.9 | 116.2 | 119 | -167.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 177 | Q | 35.5 | Very low | 33.8 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | -168.8 | 119.4 | 114 | -102.6 | 167.5 | -5.6 | 0 | 0 | 111.3 | |||||
| 178 | S | 30.8 | Very low | 34 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -40.3 | 139.6 | 160.3 | 46.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 179 | N | 36.3 | Very low | 33.7 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -152.6 | 105.8 | 140.6 | -87.1 | -28.5 | 0 | 0 | 0 | 109.3 | ||||
| 180 | N | 29.9 | Very low | 33.7 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -69.8 | 126.8 | 158.6 | -71 | -34.2 | 0 | 0 | 0 | 107.3 | ||||
| 181 | L | 33.6 | Very low | 33.7 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -142.5 | 102.9 | 158.2 | -132.8 | 79.4 | 0 | 0 | 0 | 109.8 | ||||
| 182 | T | 30.4 | Very low | 33.9 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | 21 | 111.1 | 133.8 | -46.4 | 0 | 0 | 0 | 0 | 116.6 | S184 | T182-S184 PolarHBondContact O-N 2.85Å; T182-S184 VanDerWaalsContact O-N 3.08Å | ||
| 183 | I | 28.9 | Very low | 34.1 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -66.3 | 101.7 | 165.3 | -65 | 166.3 | 0 | 0 | 0 | 107.7 | ||||
| 184 | S | 30.5 | Very low | 34.2 | Very low | 92 Ų | 92 | 149.6 Ų | 149.6 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | -108.8 | 127.6 | 165.7 | -57.6 | 0 | 0 | 0 | 0 | 107.6 | T182 Q186 | T182-S184 PolarHBondContact O-N 2.85Å; T182-S184 VanDerWaalsContact O-N 3.08Å; S184-Q186 PolarHBondContact O-N 3.42Å | ||
| 185 | T | 28.4 | Very low | 34.3 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -48.8 | 121.6 | 173.2 | 47.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 186 | Q | 33.5 | Very low | 34.5 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -157.9 | 110 | 155.3 | -107.1 | 161.9 | 56.1 | 0 | 0 | 108.4 | S184 N188 | S184-Q186 PolarHBondContact O-N 3.42Å; Q186-N188 PolarHBondContact O-N 3.01Å | ||
| 187 | T | 30 | Very low | 34.8 | Very low | 129 Ų | 129 | 145 Ų | 145 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -71 | 110.9 | 166.6 | 44.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 188 | N | 36.5 | Very low | 35 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | trans | -106.6 | 102.2 | 167.3 | -69.8 | -21.5 | 0 | 0 | 0 | 107.3 | Q186 | Q186-N188 PolarHBondContact O-N 3.01Š| ||
| 189 | D | 33.5 | Very low | 35.3 | Very low | 154 Ų | 154 | 150.5 Ų | 150.5 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -77.7 | 111.3 | 160.7 | -66 | -52 | 0 | 0 | 0 | 107.1 | ||||
| 190 | D | 37.9 | Very low | 35.5 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | -121.8 | 88.4 | 169.4 | -77.9 | -40.3 | 0 | 0 | 0 | 107.8 | ||||
| 191 | D | 42.1 | Very low | 35.8 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | trans | -131.5 | 101.2 | 159.6 | -91.6 | -30 | 0 | 0 | 0 | 108.8 | ||||
| 192 | S | 41.2 | Very low | 35.9 | Very low | 121 Ų | 121 | 153 Ų | 153 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -81.7 | 110.6 | 169.7 | 145 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 193 | Y | 44.8 | Very low | 36.7 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -159.3 | 101.4 | 145.6 | -164.4 | -99.5 | 0 | 0 | 0 | 109.5 | D195 | Y193-D195 HydrophobicContact CE1-CB 3.84Å; Y193-D195 PolarHBondContact OH-OD2 3.21Å | ||
| 194 | M | 33.9 | Very low | 37 | Very low | 179 Ų | 179 | 151 Ų | 151 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -81.9 | 125 | 166.1 | -74.8 | -74.8 | -169.2 | 0 | 0 | 107.9 | ||||
| 195 | D | 39.2 | Very low | 37.2 | Very low | 124 Ų | 124 | 158.6 Ų | 158.6 | 66% | 0.663 | 81% | 0.811 | S | S | * | * | trans | -152.4 | 130 | 147 | -113.1 | -26.3 | 0 | 0 | 0 | 111.9 | Y193 | Y193-D195 HydrophobicContact CE1-CB 3.84Å; Y193-D195 PolarHBondContact OH-OD2 3.21Å | ||
| 196 | E | 36.8 | Very low | 37.7 | Very low | 176 Ų | 176 | 162.2 Ų | 162.2 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -58.1 | 138.4 | 177.7 | -85.8 | 171.6 | 120.8 | 0 | 0 | 112.9 | ||||
| 197 | C | 37.1 | Very low | 37.7 | Very low | 103 Ų | 103 | 159.7 Ų | 159.7 | 70% | 0.696 | 82% | 0.816 | S | S | * | * | 177.3 | 121.3 | 113.1 | -94 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 198 | K | 39.8 | Very low | 37.9 | Very low | 193 Ų | 193 | 161.4 Ų | 161.4 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | 75.8 | 96.7 | 133.1 | -62.1 | 179.1 | -175.4 | 179 | 0 | 118.8 | ||||
| 199 | Q | 36.6 | Very low | 37.9 | Very low | 188 Ų | 188 | 159.6 Ų | 159.6 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -34.1 | 132.3 | 146 | -70.6 | 150.7 | -1.8 | 0 | 0 | 113.7 | ||||
| 200 | R | 40.9 | Very low | 38.2 | Very low | 244 Ų | 244 | 158.7 Ų | 158.7 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -159.2 | 144.8 | 131.3 | -104.1 | 166.3 | -161.5 | -112.8 | 3.7 | 111.2 | ||||
| 201 | P | 36.4 | Very low | 38.2 | Very low | 122 Ų | 122 | 158.2 Ų | 158.2 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -88.4 | 148.7 | -162.5 | -2.1 | 22.7 | 0 | 0 | 0 | 113.2 | ||||
| 202 | I | 35.6 | Very low | 37.8 | Very low | 167 Ų | 167 | 156.1 Ų | 156.1 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -65.4 | 127.8 | 172.6 | -63.5 | 160.1 | 0 | 0 | 0 | 109.9 | ||||
| 203 | T | 46.4 | Very low | 37.7 | Very low | 127 Ų | 127 | 157.2 Ų | 157.2 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -112.5 | 140.9 | 159.8 | 50.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 204 | P | 36.4 | Very low | 37.2 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 143.7 | -171.8 | 32.5 | -32.1 | 0 | 0 | 0 | 112.8 | ||
| 205 | R | 34.9 | Very low | 37.6 | Very low | 251 Ų | 251 | 154.6 Ų | 154.6 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 134.6 | 172.2 | -87.2 | 173.1 | 162 | 176.9 | -5.3 | 113.4 | ||
| 206 | K | 37.5 | Very low | 37.5 | Very low | 210 Ų | 210 | 154.3 Ų | 154.3 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 123.4 | 148.7 | -78.9 | -176.9 | 176.5 | -179.9 | 0 | 109.2 | ||
| 207 | S | 34.1 | Very low | 37.8 | Very low | 112 Ų | 112 | 153.2 Ų | 153.2 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 137.6 | 164.1 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 208 | N | 35.6 | Very low | 38 | Very low | 165 Ų | 165 | 156.5 Ų | 156.5 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -140.3 | 120.5 | 149 | -117.2 | 1.2 | 0 | 0 | 0 | 108.7 | ||||
| 209 | S | 35.5 | Very low | 38.1 | Very low | 90 Ų | 90 | 155.3 Ų | 155.3 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | trans | -63.9 | 148.5 | 165.6 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 210 | N | 38.8 | Very low | 38.4 | Very low | 134 Ų | 134 | 152.2 Ų | 152.2 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | 172.6 | 133.7 | 117.3 | -79.7 | -14.2 | 0 | 0 | 0 | 111.6 | |||||
| 211 | N | 38.5 | Very low | 38.2 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 75.6 | 88.4 | 143.6 | -59.2 | -12 | 0 | 0 | 0 | 120.3 | ||||
| 212 | V | 35.2 | Very low | 38.5 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | 26.4 | 110 | 112.9 | -173.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 213 | T | 38.6 | Very low | 39 | Very low | 145 Ų | 145 | 148 Ų | 148 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -141.6 | 125.4 | 138.1 | 37.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 214 | S | 33.1 | Very low | 38.7 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -87.3 | 133.9 | -175.7 | 23.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 215 | K | 43.7 | Very low | 39.1 | Very low | 209 Ų | 209 | 149.9 Ų | 149.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -137.1 | 116.1 | 155.2 | -76.8 | -171.7 | -179.8 | 174.1 | 0 | 111 | ||||
| 216 | T | 36.9 | Very low | 39.7 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | -43 | 131.6 | 173.2 | -52.8 | 0 | 0 | 0 | 0 | 115.6 | Q218 | T216-Q218 HydrophobicContact CG2-CG 4.13Š| ||
| 217 | I | 42.6 | Very low | 39.9 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -130.4 | 126.9 | 148.7 | -62 | 179.7 | 0 | 0 | 0 | 107.4 | ||||
| 218 | Q | 41.6 | Very low | 40.6 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -79.8 | 129.9 | -173.1 | -63.1 | 171.4 | -1.1 | 0 | 0 | 110.9 | T216 | T216-Q218 HydrophobicContact CG2-CG 4.13Š| ||
| 219 | H | 40.7 | Very low | 41.3 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | -123 | 148.1 | 159.3 | -75.9 | -69.7 | 0 | 0 | 0 | 109.1 | ||||
| 220 | P | 44.2 | Very low | 42.1 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -78.3 | 151.4 | -158.6 | 30.6 | -34 | 0 | 0 | 0 | 114.1 | ||||
| 221 | I | 36.2 | Very low | 42.9 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -50.6 | 123.8 | -173.6 | -62.6 | 150.9 | 0 | 0 | 0 | 113.7 | ||||
| 222 | L | 42.2 | Very low | 44.6 | Very low | 170 Ų | 170 | 151 Ų | 151 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -118 | 130.9 | 148.4 | -70.7 | 176.3 | 0 | 0 | 0 | 108.1 | ||||
| 223 | T | 46.2 | Very low | 46.6 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 145.9 | -172.7 | 44.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 224 | P | 40.8 | Very low | 48.5 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 128.6 | -173.1 | 31 | -31.7 | 0 | 0 | 0 | 111.9 | Q226 | P224-Q226 PolarHBondContact O-N 2.78Š|
| 225 | I | 43.7 | Very low | 50.8 | Low | 160 Ų | 160 | 160 Ų | 160 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 121.6 | 167.1 | -65.5 | 169.7 | 0 | 0 | 0 | 107.7 | T227 | I225-T227 PolarHBondContact O-N 3.14Š|
| 226 | Q | 48 | Very low | 52.4 | Low | 165 Ų | 165 | 154 Ų | 154 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | -60.7 | 112.7 | 176.9 | -71.5 | 177.8 | -7.8 | 0 | 0 | 110.7 | P224 N228 | P224-Q226 PolarHBondContact O-N 2.78Å; Q226-N228 PolarHBondContact O-N 3.49Å | ||
| 227 | T | 41.2 | Very low | 54.2 | Low | 134 Ų | 134 | 155.5 Ų | 155.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -85.4 | 98.1 | 163.3 | 55.1 | 0 | 0 | 0 | 0 | 108.3 | I225 | I225-T227 PolarHBondContact O-N 3.14Š| ||
| 228 | N | 48.9 | Very low | 55.5 | Low | 124 Ų | 124 | 151.5 Ų | 151.5 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | -122.6 | 131.6 | 172.2 | -86.4 | -28.7 | 0 | 0 | 0 | 109.9 | Q226 | Q226-N228 PolarHBondContact O-N 3.49Š| ||
| 229 | K | 51.4 | Low | 56.7 | Low | 194 Ų | 194 | 149.7 Ų | 149.7 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 93.3 | 102.2 | 162.3 | -56.9 | 177.6 | -174.7 | -179.2 | 0 | 116.7 | ||||
| 230 | K | 51.7 | Low | 58 | Low | 198 Ų | 198 | 149.5 Ų | 149.5 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -41.5 | 137.5 | 159 | -65.3 | 164 | 175.7 | 177.5 | 0 | 111.5 | ||
| 231 | T | 56.3 | Low | 58.9 | Low | 131 Ų | 131 | 149.7 Ų | 149.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 54.3 | 72.4 | 160.4 | 59.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 232 | E | 74.1 | Confident | 60.1 | Low | 176 Ų | 176 | 147.9 Ų | 147.9 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -113.2 | 113.4 | 162.6 | -161.1 | 167.8 | -161 | 0 | 0 | 108.1 | ||||
| 233 | Y | 76 | Confident | 60.6 | Low | 208 Ų | 208 | 146.3 Ų | 146.3 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 127 | 177 | 12.7 | -94.1 | 0 | 0 | 0 | 108.9 | R235 | Y233-R235 PolarHBondContact O-N 3.48Š|
| 234 | L | 79.8 | Confident | 61 | Low | 147 Ų | 147 | 147.7 Ų | 147.7 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 120.9 | 178.9 | -70.5 | 168.4 | 0 | 0 | 0 | 110.7 | ||
| 235 | R | 79.9 | Confident | 61.2 | Low | 211 Ų | 211 | 148 Ų | 148 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 148.3 | 172.9 | -160.8 | 174.3 | -177.5 | -156.3 | -0.2 | 110 | Y233 H237 S238 | Y233-R235 PolarHBondContact O-N 3.48Å; R235-H237 PolarHBondContact O-N 2.83Å; R235-S238 WeakPolarHBondContact O-CB 3.46Å; R235-S238 PolarHBondContact O-N 2.96Å; R235-S238 PolarHBondContact O-OG 3.2Å |
| 236 | A | 78.5 | Confident | 61.6 | Low | 84 Ų | 84 | 145.8 Ų | 145.8 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 130.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 237 | H | 73.1 | Confident | 62 | Low | 147 Ų | 147 | 144.4 Ų | 144.4 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.5 | 8.3 | -174.5 | -47.6 | -79.3 | 0 | 0 | 0 | 117.7 | R235 N239 Y240 | R235-H237 PolarHBondContact O-N 2.83Å; H237-N239 PolarHBondContact O-N 3.32Å; H237-Y240 AromaticContact ND1-CD2 3.82Å; H237-Y240 WeakPolarHBondContact O-CB 3.27Å; H237-Y240 PolarHBondContact O-N 3.35Å |
| 238 | S | 70.8 | Confident | 62.8 | Low | 70 Ų | 70 | 146.1 Ų | 146.1 | 49% | 0.49 | 73% | 0.732 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.1 | -26.7 | 174.7 | 49.2 | 0 | 0 | 0 | 0 | 114.4 | R235 | R235-S238 WeakPolarHBondContact O-CB 3.46Å; R235-S238 PolarHBondContact O-N 2.96Å; R235-S238 PolarHBondContact O-OG 3.2Å |
| 239 | N | 67.5 | Low | 63.2 | Low | 134 Ų | 134 | 149.9 Ų | 149.9 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 12.3 | 175.9 | -60.4 | -20.3 | 0 | 0 | 0 | 112.8 | H237 V241 | H237-N239 PolarHBondContact O-N 3.32Å; N239-V241 PolarHBondContact O-N 2.85Å; N239-V241 VanDerWaalsContact O-N 3.14Å |
| 240 | Y | 67.5 | Low | 63.3 | Low | 164 Ų | 164 | 148.2 Ų | 148.2 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | trans | -75.8 | 107.5 | 177.8 | -142.8 | -98.8 | 0 | 0 | 0 | 107.9 | H237 D242 | H237-Y240 AromaticContact ND1-CD2 3.82Å; H237-Y240 WeakPolarHBondContact O-CB 3.27Å; H237-Y240 PolarHBondContact O-N 3.35Å; Y240-D242 PolarHBondContact O-N 3.49Å | ||
| 241 | V | 63.1 | Low | 63.6 | Low | 126 Ų | 126 | 141.1 Ų | 141.1 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | trans | -70.5 | 99.2 | 169.9 | 179.4 | 0 | 0 | 0 | 0 | 106 | N239 N243 | N239-V241 PolarHBondContact O-N 2.85Å; N239-V241 VanDerWaalsContact O-N 3.14Å; V241-N243 PolarHBondContact O-N 2.86Å | ||
| 242 | D | 60.4 | Low | 63.8 | Low | 121 Ų | 121 | 143.3 Ų | 143.3 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | trans | -60.3 | 134.1 | 165.5 | -78.3 | -28.1 | 0 | 0 | 0 | 108.3 | Y240 | Y240-D242 PolarHBondContact O-N 3.49Š| ||
| 243 | N | 54.7 | Low | 63.3 | Low | 136 Ų | 136 | 140.6 Ų | 140.6 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 93.5 | 109.5 | 170.6 | -42.1 | -55.3 | 0 | 0 | 0 | 115.9 | V241 | V241-N243 PolarHBondContact O-N 2.86Š|
| 244 | D | 52.8 | Low | 62.4 | Low | 147 Ų | 147 | 136.6 Ų | 136.6 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | trans | 62.4 | 82.8 | 141.9 | -55.8 | -22.4 | 0 | 0 | 0 | 117.9 | D246 | D244-D246 PolarHBondContact O-N 3.37Å; D244-D246 VanDerWaalsContact O-N 3.14Å | ||
| 245 | V | 46.6 | Very low | 61.4 | Low | 132 Ų | 132 | 135.4 Ų | 135.4 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | trans | 18.2 | 86.1 | 137 | -166.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 246 | D | 52.2 | Low | 60.5 | Low | 113 Ų | 113 | 131.1 Ų | 131.1 | 60% | 0.604 | 70% | 0.7 | S | S | * | * | trans | -124.3 | 94.9 | 153.1 | -121.8 | -11.9 | 0 | 0 | 0 | 108.1 | D244 K248 | D244-D246 PolarHBondContact O-N 3.37Å; D244-D246 VanDerWaalsContact O-N 3.14Å; D246-K248 PolarHBondContact O-N 2.82Å | ||
| 247 | L | 56.2 | Low | 59.7 | Low | 136 Ų | 136 | 131.9 Ų | 131.9 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 9.4 | -178.9 | -131.2 | 76.5 | 0 | 0 | 0 | 113.9 | ||
| 248 | K | 56.4 | Low | 59.3 | Low | 170 Ų | 170 | 131.4 Ų | 131.4 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -16.3 | -174.9 | -86.5 | 178.4 | 174.4 | 179.1 | 0 | 114.9 | D246 | D246-K248 PolarHBondContact O-N 2.82Š|
| 249 | Y | 58 | Low | 59.1 | Low | 203 Ų | 203 | 136.6 Ų | 136.6 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -100.8 | 3.1 | -170.9 | -74.8 | -82.7 | 0 | 0 | 0 | 115.3 | ||
| 250 | L | 54.6 | Low | 58.9 | Low | 158 Ų | 158 | 138.6 Ų | 138.6 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -103.5 | 7.9 | -172.1 | -71.3 | 174 | 0 | 0 | 0 | 116.1 | ||
| 251 | S | 56.3 | Low | 58.7 | Low | 50 Ų | 50 | 137.4 Ų | 137.4 | 35% | 0.35 | 72% | 0.72 | S | S | . | * | trans | -157.2 | 141.9 | 169.4 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | I253 | S251-I253 PolarHBondContact O-N 3.42Š| ||
| 252 | N | 60.2 | Low | 58.6 | Low | 176 Ų | 176 | 138 Ų | 138 | 94% | 0.941 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -72.3 | 23.5 | 169.6 | -66.1 | -16.6 | 0 | 0 | 0 | 112.4 | ||
| 253 | I | 65.5 | Low | 58.6 | Low | 120 Ų | 120 | 137.5 Ų | 137.5 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -116.2 | 119.4 | -178.4 | -55.4 | 169.8 | 0 | 0 | 0 | 106.2 | S251 I255 | S251-I253 PolarHBondContact O-N 3.42Å; I253-I255 PolarHBondContact O-N 3.45Å |
| 254 | P | 55.6 | Low | 59.1 | Low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | trans | -66.3 | 101.2 | 177.4 | 26.1 | -31.3 | 0 | 0 | 0 | 109.4 | T256 | P254-T256 PolarHBondContact O-N 2.85Š| ||
| 255 | I | 58.4 | Low | 59.6 | Low | 122 Ų | 122 | 133.3 Ų | 133.3 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | trans | -74.9 | 115.5 | 170.2 | -57.6 | 171.7 | 0 | 0 | 0 | 106.8 | I253 S257 | I253-I255 PolarHBondContact O-N 3.45Å; I255-S257 PolarHBondContact O-N 3.19Å | ||
| 256 | T | 61.8 | Low | 60.3 | Low | 121 Ų | 121 | 136.4 Ų | 136.4 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | -62.6 | 133.6 | 173.1 | 46.4 | 0 | 0 | 0 | 0 | 109.9 | P254 I258 | P254-T256 PolarHBondContact O-N 2.85Å; T256-I258 PolarHBondContact O-N 3.35Å; T256-I258 VanDerWaalsContact O-N 3.12Å | ||
| 257 | S | 61.9 | Low | 60.8 | Low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | -56.1 | 117.2 | 176.2 | 171 | 0 | 0 | 0 | 0 | 110 | I255 Q259 | I255-S257 PolarHBondContact O-N 3.19Å; S257-Q259 PolarHBondContact O-N 2.86Å | ||
| 258 | I | 65 | Low | 61.6 | Low | 137 Ų | 137 | 136.6 Ų | 136.6 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | trans | -72.4 | 96.6 | 167.8 | -57.1 | 171.9 | 0 | 0 | 0 | 106.5 | T256 K260 | T256-I258 PolarHBondContact O-N 3.35Å; T256-I258 VanDerWaalsContact O-N 3.12Å; I258-K260 VanDerWaalsContact C-N 3.28Å; I258-K260 HydrophobicContact CG2-CG 4.04Å; I258-K260 PolarHBondContact O-N 2.97Å | ||
| 259 | Q | 65.8 | Low | 62.5 | Low | 178 Ų | 178 | 134.9 Ų | 134.9 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | -68.8 | 89.5 | 169.7 | -67.3 | -167.4 | -9.8 | 0 | 0 | 108.9 | S257 H261 | S257-Q259 PolarHBondContact O-N 2.86Å; Q259-H261 VanDerWaalsContact C-N 3.35Å; Q259-H261 PolarHBondContact O-N 3.18Å | ||
| 260 | K | 63.8 | Low | 63.3 | Low | 177 Ų | 177 | 129.4 Ų | 129.4 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | -72 | 94.1 | 165.2 | -67.1 | -176.6 | -176.8 | 176.4 | 0 | 107.5 | I258 L262 | I258-K260 VanDerWaalsContact C-N 3.28Å; I258-K260 HydrophobicContact CG2-CG 4.04Å; I258-K260 PolarHBondContact O-N 2.97Å; K260-L262 PolarHBondContact O-N 2.91Å | ||
| 261 | H | 63.8 | Low | 64.4 | Low | 138 Ų | 138 | 129.8 Ų | 129.8 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | trans | -61.9 | 108.4 | 162.8 | 136.2 | -97.2 | 0 | 0 | 0 | 107.2 | Q259 N263 | Q259-H261 VanDerWaalsContact C-N 3.35Å; Q259-H261 PolarHBondContact O-N 3.18Å; H261-N263 PolarHBondContact CE1-OD1 3.49Å; H261-N263 PolarHBondContact NE2-OD1 3.28Å; H261-N263 PolarHBondContact O-N 2.89Å; H261-N263 VanDerWaalsContact O-N 3.16Å | ||
| 262 | L | 61.3 | Low | 65.2 | Low | 139 Ų | 139 | 132 Ų | 132 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | trans | -63.8 | 112.8 | 163.4 | -90.5 | 122 | 0 | 0 | 0 | 106.2 | K260 S264 | K260-L262 PolarHBondContact O-N 2.91Å; L262-S264 PolarHBondContact O-N 2.89Å | ||
| 263 | N | 59.8 | Low | 65.9 | Low | 111 Ų | 111 | 130.3 Ų | 130.3 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | trans | -59.5 | 87.2 | 164.1 | -82.7 | -65.8 | 0 | 0 | 0 | 108.1 | H261 A265 | H261-N263 PolarHBondContact CE1-OD1 3.49Å; H261-N263 PolarHBondContact NE2-OD1 3.28Å; H261-N263 PolarHBondContact O-N 2.89Å; H261-N263 VanDerWaalsContact O-N 3.16Å; N263-A265 PolarHBondContact O-N 3.46Å | ||
| 264 | S | 64.1 | Low | 66.2 | Low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -67.6 | -13 | 178.6 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | L262 K266 | L262-S264 PolarHBondContact O-N 2.89Å; S264-K266 PolarHBondContact O-N 2.8Å; S264-K266 VanDerWaalsContact O-N 3.1Å |
| 265 | A | 63.6 | Low | 66.7 | Low | 93 Ų | 93 | 125.5 Ų | 125.5 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -71.1 | -1.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | N263 | N263-A265 PolarHBondContact O-N 3.46Š|
| 266 | K | 62.2 | Low | 67 | Low | 196 Ų | 196 | 128.7 Ų | 128.7 | 85% | 0.852 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -131.1 | 8.3 | -176.6 | -72.5 | -174 | 178.6 | 179 | 0 | 115.9 | S264 | S264-K266 PolarHBondContact O-N 2.8Å; S264-K266 VanDerWaalsContact O-N 3.1Å |
| 267 | L | 62.7 | Low | 67.2 | Low | 146 Ų | 146 | 130.4 Ų | 130.4 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | -119.1 | 69 | -177.3 | -65.7 | 169.4 | 0 | 0 | 0 | 110.7 | ||||
| 268 | S | 73.5 | Confident | 67.2 | Low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -130.2 | 101.3 | 164.2 | 166.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 269 | V | 75.6 | Confident | 67.2 | Low | 135 Ų | 135 | 131.8 Ų | 131.8 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 126.4 | 165.8 | 180 | 0 | 0 | 0 | 0 | 106.8 | ||
| 270 | P | 74.9 | Confident | 67 | Low | 88 Ų | 88 | 130.4 Ų | 130.4 | 57% | 0.571 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 142.7 | 176.7 | 24.8 | -32.4 | 0 | 0 | 0 | 109.8 | A272 | P270-A272 PolarHBondContact O-N 2.8Š|
| 271 | K | 77.4 | Confident | 66.8 | Low | 166 Ų | 166 | 128 Ų | 128 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 136.9 | 174.4 | -103.9 | -179.3 | 174.1 | -174.7 | 0 | 109.6 | E273 S274 | K271-E273 PolarHBondContact O-N 2.91Å; K271-S274 PolarHBondContact O-N 3.34Å; K271-S274 PolarHBondContact O-OG 3.23Å |
| 272 | A | 72.2 | Confident | 66.6 | Low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -52.9 | -24 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P270 S274 A275 | P270-A272 PolarHBondContact O-N 2.8Å; A272-S274 VanDerWaalsContact C-N 3.27Å; A272-S274 PolarHBondContact O-N 3.15Å; A272-A275 PolarHBondContact O-N 3.46Å |
| 273 | E | 74.8 | Confident | 66.9 | Low | 142 Ų | 142 | 132.1 Ų | 132.1 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -66.5 | -22.6 | 177.4 | -64.6 | 171 | -167.1 | 0 | 0 | 114 | K271 A275 K276 | K271-E273 PolarHBondContact O-N 2.91Å; E273-A275 PolarHBondContact O-N 2.8Å; E273-A275 VanDerWaalsContact O-N 3.15Å; E273-K276 PolarHBondContact O-N 2.86Å |
| 274 | S | 71.3 | Confident | 67.6 | Low | 81 Ų | 81 | 134.6 Ų | 134.6 | 57% | 0.566 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -68.5 | -11.7 | 178.8 | 75 | 0 | 0 | 0 | 0 | 113.4 | K271 A272 K276 | K271-S274 PolarHBondContact O-N 3.34Å; K271-S274 PolarHBondContact O-OG 3.23Å; A272-S274 VanDerWaalsContact C-N 3.27Å; A272-S274 PolarHBondContact O-N 3.15Å; S274-K276 VanDerWaalsContact C-N 3.34Å |
| 275 | A | 67.4 | Low | 68.1 | Low | 62 Ų | 62 | 134.2 Ų | 134.2 | 51% | 0.512 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -80.9 | -7.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A272 E273 N277 V278 | A272-A275 PolarHBondContact O-N 3.46Å; E273-A275 PolarHBondContact O-N 2.8Å; E273-A275 VanDerWaalsContact O-N 3.15Å; A275-N277 PolarHBondContact O-N 3.46Å; A275-V278 PolarHBondContact O-N 3.27Å |
| 276 | K | 64.1 | Low | 69.1 | Low | 189 Ų | 189 | 133.3 Ų | 133.3 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -67.2 | -18.7 | -174.9 | -79.8 | -175.6 | 175.9 | 179.5 | 0 | 114.9 | E273 S274 | E273-K276 PolarHBondContact O-N 2.86Å; S274-K276 VanDerWaalsContact C-N 3.34Å |
| 277 | N | 66.2 | Low | 70.2 | Confident | 157 Ų | 157 | 131 Ų | 131 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -116.6 | 34.3 | 179.1 | -101.7 | 10 | 0 | 0 | 0 | 113.2 | A275 E279 | A275-N277 PolarHBondContact O-N 3.46Å; N277-E279 VanDerWaalsContact C-N 3.3Å; N277-E279 PolarHBondContact O-N 3.48Å |
| 278 | V | 61 | Low | 71.4 | Confident | 92 Ų | 92 | 129.5 Ų | 129.5 | 56% | 0.558 | 68% | 0.676 | S | S | * | * | trans | -76.8 | 89.5 | 167.6 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | A275 F280 | A275-V278 PolarHBondContact O-N 3.27Å; V278-F280 PolarHBondContact O-N 3.4Å | ||
| 279 | E | 65.8 | Low | 72.1 | Confident | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 67% | 0.671 | S | S | * | * | trans | -55.6 | 111.6 | 157.2 | -74.2 | -172 | 174.9 | 0 | 0 | 106.2 | N277 I281 | N277-E279 VanDerWaalsContact C-N 3.3Å; N277-E279 PolarHBondContact O-N 3.48Å; E279-I281 PolarHBondContact O-N 2.97Å | ||
| 280 | F | 60.6 | Low | 72.6 | Confident | 149 Ų | 149 | 128.2 Ų | 128.2 | 65% | 0.654 | 65% | 0.648 | S | S | * | * | trans | -57.4 | 108.7 | 169.1 | -75.5 | -77.1 | 0 | 0 | 0 | 106 | V278 R282 | V278-F280 PolarHBondContact O-N 3.4Å; F280-R282 HydrophobicContact CB-CB 4.36Å; F280-R282 HydrophobicContact CB-CG 3.94Å; F280-R282 PolarHBondContact O-N 3.35Å | ||
| 281 | I | 60.2 | Low | 73.1 | Confident | 127 Ų | 127 | 129.1 Ų | 129.1 | 65% | 0.651 | 65% | 0.648 | S | S | * | * | trans | -69.1 | 55.1 | 160.9 | -53.4 | 169.4 | 0 | 0 | 0 | 106.7 | E279 R283 | E279-I281 PolarHBondContact O-N 2.97Å; I281-R283 HydrophobicContact CG2-CG 3.67Å; I281-R283 VanDerWaalsContact CG2-CZ 3.5Å; I281-R283 PolarHBondContact O-N 3.44Å | ||
| 282 | R | 59.1 | Low | 73.5 | Confident | 182 Ų | 182 | 123.7 Ų | 123.7 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | trans | -74.6 | 73.9 | 156.4 | -76.4 | 172.4 | -165.7 | -173.2 | 6 | 104.2 | F280 D284 | F280-R282 HydrophobicContact CB-CB 4.36Å; F280-R282 HydrophobicContact CB-CG 3.94Å; F280-R282 PolarHBondContact O-N 3.35Å; R282-D284 PolarHBondContact O-N 2.93Å | ||
| 283 | R | 67.4 | Low | 74 | Confident | 181 Ų | 181 | 125.4 Ų | 125.4 | 68% | 0.683 | 63% | 0.626 | S | S | * | * | trans | -54.9 | 128.2 | 151.1 | -54 | 179.9 | -170.6 | 118.1 | -0 | 103.4 | I281 I285 | I281-R283 HydrophobicContact CG2-CG 3.67Å; I281-R283 VanDerWaalsContact CG2-CZ 3.5Å; I281-R283 PolarHBondContact O-N 3.44Å; R283-I285 HydrophobicContact CB-CG1 4.14Å; R283-I285 PolarHBondContact O-N 3.04Å | ||
| 284 | D | 74.5 | Confident | 74.3 | Confident | 164 Ų | 164 | 126 Ų | 126 | 88% | 0.877 | 63% | 0.63 | S | S | * | * | trans | -65.2 | 72.6 | 176.2 | -65.4 | -40.5 | 0 | 0 | 0 | 109 | R282 N286 | R282-D284 PolarHBondContact O-N 2.93Å; D284-N286 PolarHBondContact O-N 2.9Å | ||
| 285 | I | 76.3 | Confident | 74.6 | Confident | 93 Ų | 93 | 126.3 Ų | 126.3 | 48% | 0.477 | 64% | 0.637 | S | S | . | * | trans | -72.8 | 105.3 | 176.5 | -61.6 | 171.4 | 0 | 0 | 0 | 104.8 | R283 F287 A290 | R283-I285 HydrophobicContact CB-CG1 4.14Å; R283-I285 PolarHBondContact O-N 3.04Å; I285-F287 VanDerWaalsContact C-N 3.3Å; I285-F287 HydrophobicContact CG2-CD1 4.4Å; I285-F287 HydrophobicContact CG2-CE1 4.48Å; I285-F287 WeakPolarHBondContact O-CD2 3.46Å; I285-F287 PolarHBondContact O-N 3Å; I285-A290 HydrophobicContact CG2-CB 4.19Å | ||
| 286 | N | 84.6 | Confident | 75.2 | Confident | 74 Ų | 74 | 128.5 Ų | 128.5 | 40% | 0.396 | 65% | 0.645 | S | S | . | * | trans | -66.7 | 94.9 | 168.2 | -175.6 | -39.3 | 0 | 0 | 0 | 108.1 | D284 V288 R289 A290 | D284-N286 PolarHBondContact O-N 2.9Å; N286-V288 PolarHBondContact O-N 3.35Å; N286-V288 WeakPolarHBondContact OD1-CB 3.5Å; N286-V288 PolarHBondContact OD1-N 2.93Å; N286-R289 HydrophobicContact CB-CB 4.02Å; N286-R289 WeakPolarHBondContact O-CB 3.24Å; N286-R289 PolarHBondContact O-N 2.87Å; N286-R289 PolarHBondContact OD1-N 3.04Å; N286-A290 PolarHBondContact O-N 3.11Å | ||
| 287 | F | 85.1 | Confident | 75.5 | Confident | 147 Ų | 147 | 121.6 Ų | 121.6 | 65% | 0.645 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -56.5 | -33.4 | -177.9 | -64.6 | -77.4 | 0 | 0 | 0 | 112.5 | I285 A290 N291 | I285-F287 VanDerWaalsContact C-N 3.3Å; I285-F287 HydrophobicContact CG2-CD1 4.4Å; I285-F287 HydrophobicContact CG2-CE1 4.48Å; I285-F287 WeakPolarHBondContact O-CD2 3.46Å; I285-F287 PolarHBondContact O-N 3Å; F287-A290 PolarHBondContact O-N 3.44Å; F287-N291 WeakPolarHBondContact O-CB 3.27Å; F287-N291 PolarHBondContact O-N 2.94Å; F287-N291 PolarHBondContact O-ND2 3.01Å |
| 288 | V | 87 | Confident | 75.5 | Confident | 116 Ų | 116 | 119.2 Ų | 119.2 | 70% | 0.703 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62 | -46.7 | 176.1 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | N286 A292 | N286-V288 PolarHBondContact O-N 3.35Å; N286-V288 WeakPolarHBondContact OD1-CB 3.5Å; N286-V288 PolarHBondContact OD1-N 2.93Å; V288-A292 WeakPolarHBondContact O-CB 3.48Å; V288-A292 PolarHBondContact O-N 3.12Å |
| 289 | R | 89.1 | Confident | 75.4 | Confident | 175 Ų | 175 | 119.6 Ų | 119.6 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.9 | -43.4 | 177.7 | -165.4 | -176.2 | -44 | -144.8 | 0.6 | 112.4 | N286 A292 H293 | N286-R289 HydrophobicContact CB-CB 4.02Å; N286-R289 WeakPolarHBondContact O-CB 3.24Å; N286-R289 PolarHBondContact O-N 2.87Å; N286-R289 PolarHBondContact OD1-N 3.04Å; R289-A292 PolarHBondContact O-N 3.47Å; R289-H293 WeakPolarHBondContact O-CB 3.47Å; R289-H293 PolarHBondContact O-N 2.97Å |
| 290 | A | 84.7 | Confident | 74.9 | Confident | 39 Ų | 39 | 116.8 Ų | 116.8 | 32% | 0.322 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.1 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I285 N286 F287 H293 M294 | I285-A290 HydrophobicContact CG2-CB 4.19Å; N286-A290 PolarHBondContact O-N 3.11Å; F287-A290 PolarHBondContact O-N 3.44Å; A290-H293 PolarHBondContact O-N 3.21Å; A290-M294 VanDerWaalsContact O-CG 3.26Å; A290-M294 WeakPolarHBondContact O-CG 3.05Å; A290-M294 PolarHBondContact O-N 2.89Å |
| 291 | N | 86.1 | Confident | 74.6 | Confident | 107 Ų | 107 | 118.2 Ų | 118.2 | 57% | 0.572 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.1 | -42.2 | 177.6 | -69.8 | -12.3 | 0 | 0 | 0 | 111.8 | F287 H293 M294 A295 | F287-N291 WeakPolarHBondContact O-CB 3.27Å; F287-N291 PolarHBondContact O-N 2.94Å; F287-N291 PolarHBondContact O-ND2 3.01Å; N291-H293 VanDerWaalsContact C-N 3.3Å; N291-H293 PolarHBondContact O-N 2.67Å; N291-M294 PolarHBondContact O-N 3.05Å; N291-A295 WeakPolarHBondContact O-CB 3.25Å; N291-A295 PolarHBondContact O-N 2.88Å |
| 292 | A | 86.3 | Confident | 74.1 | Confident | 52 Ų | 52 | 121 Ų | 121 | 43% | 0.43 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -57.8 | -45.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V288 R289 M294 A295 T296 | V288-A292 WeakPolarHBondContact O-CB 3.48Å; V288-A292 PolarHBondContact O-N 3.12Å; R289-A292 PolarHBondContact O-N 3.47Å; A292-M294 PolarHBondContact O-N 3.12Å; A292-A295 PolarHBondContact O-N 2.96Å; A292-A295 VanDerWaalsContact O-N 3.16Å; A292-T296 WeakPolarHBondContact O-CG2 3.44Å; A292-T296 PolarHBondContact O-N 2.97Å; A292-T296 PolarHBondContact O-OG1 3.37Å |
| 293 | H | 83.3 | Confident | 73.7 | Confident | 132 Ų | 132 | 118.7 Ų | 118.7 | 61% | 0.611 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.9 | -35.2 | 178.2 | -145.9 | -61.4 | 0 | 0 | 0 | 112.8 | R289 A290 N291 A295 A297 | R289-H293 WeakPolarHBondContact O-CB 3.47Å; R289-H293 PolarHBondContact O-N 2.97Å; A290-H293 PolarHBondContact O-N 3.21Å; N291-H293 VanDerWaalsContact C-N 3.3Å; N291-H293 PolarHBondContact O-N 2.67Å; H293-A295 VanDerWaalsContact C-N 3.33Å; H293-A297 WeakPolarHBondContact O-CB 3.49Å; H293-A297 PolarHBondContact O-N 3.31Å |
| 294 | M | 80 | Confident | 73.1 | Confident | 154 Ų | 154 | 113.6 Ų | 113.6 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69 | -30.3 | 173.2 | -71.7 | -104.7 | 76.7 | 0 | 0 | 112.7 | A290 N291 A292 | A290-M294 VanDerWaalsContact O-CG 3.26Å; A290-M294 WeakPolarHBondContact O-CG 3.05Å; A290-M294 PolarHBondContact O-N 2.89Å; N291-M294 PolarHBondContact O-N 3.05Å; A292-M294 PolarHBondContact O-N 3.12Å |
| 295 | A | 78.1 | Confident | 72 | Confident | 87 Ų | 87 | 111.9 Ų | 111.9 | 72% | 0.719 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -80.5 | -35.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N291 A292 H293 | N291-A295 WeakPolarHBondContact O-CB 3.25Å; N291-A295 PolarHBondContact O-N 2.88Å; A292-A295 PolarHBondContact O-N 2.96Å; A292-A295 VanDerWaalsContact O-N 3.16Å; H293-A295 VanDerWaalsContact C-N 3.33Å |
| 296 | T | 78.9 | Confident | 70.9 | Confident | 109 Ų | 109 | 116.3 Ų | 116.3 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -93.7 | -17.8 | -177.8 | 60 | 0 | 0 | 0 | 0 | 113.9 | A292 | A292-T296 WeakPolarHBondContact O-CG2 3.44Å; A292-T296 PolarHBondContact O-N 2.97Å; A292-T296 PolarHBondContact O-OG1 3.37Å |
| 297 | A | 71.1 | Confident | 69.3 | Low | 44 Ų | 44 | 124.3 Ų | 124.3 | 36% | 0.364 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -58.9 | 125.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | H293 S299 | H293-A297 WeakPolarHBondContact O-CB 3.49Å; H293-A297 PolarHBondContact O-N 3.31Å; A297-S299 PolarHBondContact O-N 3.46Å |
| 298 | P | 66.4 | Low | 68 | Low | 106 Ų | 106 | 125.1 Ų | 125.1 | 69% | 0.688 | 67% | 0.669 | S | S | * | * | trans | -57.1 | 137.5 | 175 | 22 | -29.5 | 0 | 0 | 0 | 108.3 | V300 | P298-V300 HydrophobicContact CG-CG2 4.48Å; P298-V300 PolarHBondContact O-N 3.36Å | ||
| 299 | S | 58.1 | Low | 66.4 | Low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | trans | -63.5 | 69.2 | -177.5 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | A297 K301 | A297-S299 PolarHBondContact O-N 3.46Å; S299-K301 PolarHBondContact O-N 2.92Å | ||
| 300 | V | 55.5 | Low | 64.7 | Low | 114 Ų | 114 | 118.7 Ų | 118.7 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -81.1 | 97.8 | 170.4 | 180 | 0 | 0 | 0 | 0 | 105.2 | P298 | P298-V300 HydrophobicContact CG-CG2 4.48Å; P298-V300 PolarHBondContact O-N 3.36Å |
| 301 | K | 54 | Low | 63.4 | Low | 178 Ų | 178 | 124.7 Ų | 124.7 | 77% | 0.774 | 69% | 0.685 | S | S | * | * | trans | 85 | 39.5 | 169 | -49.5 | 174.6 | -174.3 | -177.2 | 0 | 118.5 | S299 T303 | S299-K301 PolarHBondContact O-N 2.92Å; K301-T303 PolarHBondContact O-N 3.22Å; K301-T303 VanDerWaalsContact O-N 3.14Å | ||
| 302 | R | 50.1 | Low | 62 | Low | 186 Ų | 186 | 126.3 Ų | 126.3 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | trans | -80.4 | 66.2 | 143.5 | -85 | -172.5 | 162.3 | 155.9 | -2.7 | 110.1 | G304 | R302-G304 VanDerWaalsContact C-N 3.34Å; R302-G304 PolarHBondContact O-N 2.82Å | ||
| 303 | T | 51.1 | Low | 60.4 | Low | 134 Ų | 134 | 127.9 Ų | 127.9 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | trans | -63.5 | 97.6 | 158.3 | 46.2 | 0 | 0 | 0 | 0 | 107.5 | K301 | K301-T303 PolarHBondContact O-N 3.22Å; K301-T303 VanDerWaalsContact O-N 3.14Å | ||
| 304 | G | 54.6 | Low | 58.9 | Low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 132.3 | -15.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | R302 | R302-G304 VanDerWaalsContact C-N 3.34Å; R302-G304 PolarHBondContact O-N 2.82Å |
| 305 | I | 52.1 | Low | 57.5 | Low | 128 Ų | 128 | 126.5 Ų | 126.5 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | trans | -112.3 | 77.8 | 177.7 | -52.7 | 171.9 | 0 | 0 | 0 | 108.2 | R307 | I305-R307 PolarHBondContact O-N 2.9Š| ||
| 306 | R | 52.5 | Low | 56.2 | Low | 186 Ų | 186 | 126.6 Ų | 126.6 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 125.3 | 165.5 | -78.6 | -174.1 | 173.2 | -161.7 | 0.9 | 107.5 | I308 H334 | R306-I308 PolarHBondContact O-N 2.85Å; R306-I308 VanDerWaalsContact O-N 3.14Å; R306-H334 VanDerWaalsContact CZ-CE1 3.44Å; R306-H334 PolarHBondContact NH1-CE1 3.26Å; R306-H334 PolarHBondContact NH1-NE2 3.27Å |
| 307 | R | 51.7 | Low | 54.9 | Low | 242 Ų | 242 | 129 Ų | 129 | 91% | 0.913 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 122.1 | 162.3 | -84.4 | -174.5 | -91.2 | 153.2 | -7.4 | 107.4 | I305 A309 | I305-R307 PolarHBondContact O-N 2.9Å; R307-A309 PolarHBondContact O-N 2.84Å |
| 308 | I | 56.7 | Low | 54 | Low | 164 Ų | 164 | 133.8 Ų | 133.8 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 122.8 | 174 | -53.4 | 164.5 | 0 | 0 | 0 | 105.3 | R306 S310 | R306-I308 PolarHBondContact O-N 2.85Å; R306-I308 VanDerWaalsContact O-N 3.14Å; I308-S310 PolarHBondContact O-N 2.99Å |
| 309 | A | 54.2 | Low | 53 | Low | 73 Ų | 73 | 139.2 Ų | 139.2 | 60% | 0.603 | 75% | 0.745 | S | S | * | * | trans | -56.7 | 110.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | R307 M311 | R307-A309 PolarHBondContact O-N 2.84Å; A309-M311 PolarHBondContact O-N 2.94Å | ||
| 310 | S | 54.1 | Low | 52.5 | Low | 84 Ų | 84 | 140 Ų | 140 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | trans | -54 | 138.9 | 168 | 51.2 | 0 | 0 | 0 | 0 | 107.9 | I308 N312 S313 | I308-S310 PolarHBondContact O-N 2.99Å; S310-N312 PolarHBondContact O-N 3.16Å; S310-S313 PolarHBondContact O-N 3.4Å | ||
| 311 | M | 57.3 | Low | 52 | Low | 165 Ų | 165 | 142.5 Ų | 142.5 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -51.1 | -5.8 | -171.8 | -68.6 | -175.4 | 60.5 | 0 | 0 | 116.6 | A309 | A309-M311 PolarHBondContact O-N 2.94Š|
| 312 | N | 56 | Low | 51.4 | Low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -88.9 | -2.7 | -174.7 | -61.4 | 8.3 | 0 | 0 | 0 | 114.2 | S310 | S310-N312 PolarHBondContact O-N 3.16Š|
| 313 | S | 53.7 | Low | 51.4 | Low | 85 Ų | 85 | 138.6 Ų | 138.6 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -95 | 14.2 | 177.9 | 68.3 | 0 | 0 | 0 | 0 | 114.7 | S310 | S310-S313 PolarHBondContact O-N 3.4Š|
| 314 | L | 51.8 | Low | 51.1 | Low | 156 Ų | 156 | 139.9 Ų | 139.9 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -99.8 | 1.2 | -179 | -75.6 | 162.8 | 0 | 0 | 0 | 113.9 | ||
| 315 | S | 50.5 | Low | 51 | Low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -96.4 | 3.6 | -170.7 | 68 | 0 | 0 | 0 | 0 | 115.9 | ||
| 316 | S | 49.1 | Very low | 50.8 | Low | 90 Ų | 90 | 141.8 Ų | 141.8 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | trans | -140.3 | 93.5 | -176.6 | -54.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 317 | N | 52.4 | Low | 50.8 | Low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -176 | 85.1 | 147.7 | -83.7 | -22 | 0 | 0 | 0 | 109.5 | ||||
| 318 | N | 51.6 | Low | 50.7 | Low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | 26 | 101.6 | 138.5 | -63.4 | -21.1 | 0 | 0 | 0 | 117.3 | T320 | N318-T320 VanDerWaalsContact C-N 3.35Å; N318-T320 PolarHBondContact O-N 3.41Å | ||
| 319 | K | 45.1 | Very low | 50.6 | Low | 221 Ų | 221 | 133.8 Ų | 133.8 | 96% | 0.961 | 74% | 0.743 | S | S | * | * | trans | -55.2 | 93.8 | 152 | -79.1 | 170.8 | 171.2 | 172.3 | 0 | 109.3 | ||||
| 320 | T | 48.6 | Very low | 50.6 | Low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | trans | -135.1 | 110.9 | 165 | 52.6 | 0 | 0 | 0 | 0 | 109.5 | N318 | N318-T320 VanDerWaalsContact C-N 3.35Å; N318-T320 PolarHBondContact O-N 3.41Å | ||
| 321 | H | 45.2 | Very low | 50.7 | Low | 167 Ų | 167 | 137.6 Ų | 137.6 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | 67.1 | 93.9 | 153.7 | -145 | -99.9 | 0 | 0 | 0 | 117.9 | T323 | H321-T323 PolarHBondContact O-N 2.98Š| ||
| 322 | L | 41.4 | Very low | 50.5 | Low | 177 Ų | 177 | 133.4 Ų | 133.4 | 93% | 0.927 | 73% | 0.728 | S | S | * | * | trans | -70.8 | 100.2 | 167.4 | -68.5 | 148.5 | 0 | 0 | 0 | 108.9 | ||||
| 323 | T | 49.9 | Very low | 50.3 | Low | 104 Ų | 104 | 128.3 Ų | 128.3 | 64% | 0.638 | 70% | 0.703 | S | S | * | * | trans | -124 | 123.2 | 155.1 | 47.9 | 0 | 0 | 0 | 0 | 108.3 | H321 S325 | H321-T323 PolarHBondContact O-N 2.98Å; T323-S325 PolarHBondContact O-N 2.84Å | ||
| 324 | D | 44.3 | Very low | 50.2 | Low | 161 Ų | 161 | 128.4 Ų | 128.4 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | 127 | -178.2 | -59.7 | -55.9 | 0 | 0 | 0 | 111.1 | ||
| 325 | S | 52.6 | Low | 50.2 | Low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.1 | -17.8 | 148.9 | 47 | 0 | 0 | 0 | 0 | 114.2 | T323 | T323-S325 PolarHBondContact O-N 2.84Š|
| 326 | N | 48.8 | Very low | 50.3 | Low | 140 Ų | 140 | 123.3 Ų | 123.3 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | trans | -128.3 | 58.3 | -170.1 | -68.7 | -53.3 | 0 | 0 | 0 | 113.2 | S328 | N326-S328 PolarHBondContact O-N 2.7Š| ||
| 327 | I | 51.7 | Low | 50.5 | Low | 154 Ų | 154 | 127 Ų | 127 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | trans | -70.2 | 86.5 | 161.9 | -62.6 | 173.4 | 0 | 0 | 0 | 107.5 | K329 | I327-K329 PolarHBondContact O-N 2.79Š| ||
| 328 | S | 49.6 | Very low | 50.7 | Low | 70 Ų | 70 | 126.9 Ų | 126.9 | 49% | 0.49 | 66% | 0.663 | S | S | . | * | trans | -10.5 | 106.7 | 164.3 | -69.3 | 0 | 0 | 0 | 0 | 115 | N326 S330 Q331 | N326-S328 PolarHBondContact O-N 2.7Å; S328-S330 WeakPolarHBondContact CB-OG 3.49Å; S328-S330 PolarHBondContact O-N 3.37Å; S328-Q331 PolarHBondContact O-N 3.11Å; S328-Q331 VanDerWaalsContact O-N 3.11Å | ||
| 329 | K | 54.9 | Low | 50.6 | Low | 200 Ų | 200 | 128 Ų | 128 | 87% | 0.87 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.2 | -14.6 | 166.6 | -76.8 | 170.6 | 177.5 | 167.4 | 0 | 114.4 | I327 | I327-K329 PolarHBondContact O-N 2.79Š|
| 330 | S | 55 | Low | 51.1 | Low | 77 Ų | 77 | 123.2 Ų | 123.2 | 54% | 0.538 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | -30.7 | 179.2 | 58.1 | 0 | 0 | 0 | 0 | 114 | S328 S333 | S328-S330 WeakPolarHBondContact CB-OG 3.49Å; S328-S330 PolarHBondContact O-N 3.37Å; S330-S333 PolarHBondContact O-OG 3.25Å |
| 331 | Q | 55.5 | Low | 51.3 | Low | 160 Ų | 160 | 122.4 Ų | 122.4 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -24.9 | -178.7 | -72.2 | -113.7 | -49.3 | 0 | 0 | 113.7 | S328 S333 | S328-Q331 PolarHBondContact O-N 3.11Å; S328-Q331 VanDerWaalsContact O-N 3.11Å; Q331-S333 PolarHBondContact O-N 2.83Å |
| 332 | I | 52.1 | Low | 51.8 | Low | 77 Ų | 77 | 122.9 Ų | 122.9 | 40% | 0.395 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | -14.1 | 174.6 | -63 | 99.7 | 0 | 0 | 0 | 112.2 | H334 S336 | I332-H334 VanDerWaalsContact C-N 3.33Å; I332-H334 PolarHBondContact O-N 2.82Å; I332-S336 WeakPolarHBondContact O-CB 3.47Å |
| 333 | S | 53 | Low | 52.8 | Low | 34 Ų | 34 | 122.3 Ų | 122.3 | 24% | 0.238 | 62% | 0.617 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -7.8 | -169.3 | 78.7 | 0 | 0 | 0 | 0 | 115.5 | S330 Q331 R337 | S330-S333 PolarHBondContact O-OG 3.25Å; Q331-S333 PolarHBondContact O-N 2.83Å; S333-R337 PolarHBondContact O-NE 2.89Å; S333-R337 PolarHBondContact O-NH2 3.46Å; S333-R337 PolarHBondContact OG-NH2 2.94Å |
| 334 | H | 50.4 | Low | 53.6 | Low | 86 Ų | 86 | 122 Ų | 122 | 40% | 0.398 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.1 | -25.8 | -175.3 | -64.1 | -46.8 | 0 | 0 | 0 | 114.2 | R306 I332 | R306-H334 VanDerWaalsContact CZ-CE1 3.44Å; R306-H334 PolarHBondContact NH1-CE1 3.26Å; R306-H334 PolarHBondContact NH1-NE2 3.27Å; I332-H334 VanDerWaalsContact C-N 3.33Å; I332-H334 PolarHBondContact O-N 2.82Å |
| 335 | T | 52.4 | Low | 54.9 | Low | 114 Ų | 114 | 121.9 Ų | 121.9 | 70% | 0.699 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -26.3 | 172.9 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | R337 | T335-R337 PolarHBondContact O-N 2.88Š|
| 336 | S | 51.9 | Low | 56.1 | Low | 37 Ų | 37 | 123.3 Ų | 123.3 | 26% | 0.259 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.6 | -12.5 | 177 | 165.5 | 0 | 0 | 0 | 0 | 114.2 | I332 E341 | I332-S336 WeakPolarHBondContact O-CB 3.47Å; S336-E341 PolarHBondContact OG-OE2 3.47Å |
| 337 | R | 53.6 | Low | 57.8 | Low | 167 Ų | 167 | 120.4 Ų | 120.4 | 63% | 0.63 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -6.7 | -176.4 | -84.3 | -174.8 | -74.2 | -139.9 | -4.7 | 116.8 | S333 T335 | S333-R337 PolarHBondContact O-NE 2.89Å; S333-R337 PolarHBondContact O-NH2 3.46Å; S333-R337 PolarHBondContact OG-NH2 2.94Å; T335-R337 PolarHBondContact O-N 2.88Å |
| 338 | M | 56 | Low | 59.3 | Low | 157 Ų | 157 | 117.5 Ų | 117.5 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -15.8 | -178.3 | -83.6 | -177.5 | 64.1 | 0 | 0 | 114.2 | ||
| 339 | W | 49.4 | Very low | 61.1 | Low | 166 Ų | 166 | 119.6 Ų | 119.6 | 63% | 0.629 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.9 | 125.7 | 163.8 | -71.8 | 89.1 | 0 | 0 | 0 | 106 | E341 | W339-E341 PolarHBondContact O-N 3.05Š|
| 340 | P | 56.2 | Low | 62.8 | Low | 122 Ų | 122 | 111.3 Ų | 111.3 | 79% | 0.792 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 108.5 | 176.1 | -19.6 | 29.8 | 0 | 0 | 0 | 108.6 | R342 | P340-R342 PolarHBondContact O-N 3.44Š|
| 341 | E | 53.8 | Low | 64.3 | Low | 99 Ų | 99 | 111.3 Ų | 111.3 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | trans | 19.6 | 71.5 | 163.8 | -131.1 | 78.8 | -146.1 | 0 | 0 | 115.4 | S336 W339 R343 | S336-E341 PolarHBondContact OG-OE2 3.47Å; W339-E341 PolarHBondContact O-N 3.05Å; E341-R343 HydrophobicContact CG-CB 4.3Å; E341-R343 HydrophobicContact CG-CG 4.2Å; E341-R343 PolarHBondContact O-N 3.45Å; E341-R343 IonicContact OE1-CZ 3.53Å; E341-R343 IonicContact OE1-NE 2.9Å; E341-R343 PolarHBondContact OE1-NE 3.23Å; E341-R343 IonicContact OE1-NH2 3.9Å; E341-R343 PolarHBondContact OE1-NH2 3.46Å | ||
| 342 | R | 56 | Low | 66.1 | Low | 177 Ų | 177 | 110.3 Ų | 110.3 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | trans | -71.6 | 52.5 | 159.7 | -80.1 | -169.5 | -72 | -114.9 | -4.3 | 110.3 | P340 | P340-R342 PolarHBondContact O-N 3.44Š| ||
| 343 | R | 61.9 | Low | 68.1 | Low | 166 Ų | 166 | 110.1 Ų | 110.1 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | trans | -108.4 | 69 | 174.1 | -61.7 | -159.7 | -132.3 | -155.2 | 6.9 | 109.3 | E341 | E341-R343 HydrophobicContact CG-CB 4.3Å; E341-R343 HydrophobicContact CG-CG 4.2Å; E341-R343 PolarHBondContact O-N 3.45Å; E341-R343 IonicContact OE1-CZ 3.53Å; E341-R343 IonicContact OE1-NE 2.9Å; E341-R343 PolarHBondContact OE1-NE 3.23Å; E341-R343 IonicContact OE1-NH2 3.9Å; E341-R343 PolarHBondContact OE1-NH2 3.46Å | ||
| 344 | L | 66.1 | Low | 70 | Confident | 97 Ų | 97 | 112.3 Ų | 112.3 | 51% | 0.508 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 136.1 | 152.8 | -67.5 | 166.7 | 0 | 0 | 0 | 106.5 | S346 P350 | L344-S346 PolarHBondContact O-N 3.42Å; L344-P350 HydrophobicContact CD1-CB 3.67Å; L344-P350 HydrophobicContact CD1-CG 3.6Å |
| 345 | K | 72.3 | Confident | 72.2 | Confident | 158 Ų | 158 | 115.1 Ų | 115.1 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 136.3 | 175 | -56.7 | 170.5 | -178.2 | -84.2 | 0 | 107.1 | G347 D348 | K345-G347 PolarHBondContact O-N 3.11Å; K345-D348 WeakPolarHBondContact CB-OD2 3.21Å; K345-D348 PolarHBondContact O-N 2.9Å |
| 346 | S | 77.6 | Confident | 74.2 | Confident | 131 Ų | 131 | 115.5 Ų | 115.5 | 92% | 0.916 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 125 | 175.9 | -58.6 | 0 | 0 | 0 | 0 | 109.3 | L344 | L344-S346 PolarHBondContact O-N 3.42Š|
| 347 | G | 83.5 | Confident | 76.3 | Confident | 80 Ų | 80 | 121.7 Ų | 121.7 | 83% | 0.825 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.2 | -18.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K345 | K345-G347 PolarHBondContact O-N 3.11Š|
| 348 | D | 84.7 | Confident | 78.3 | Confident | 93 Ų | 93 | 118.9 Ų | 118.9 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -84.7 | 136.8 | 178 | -70.7 | -13.9 | 0 | 0 | 0 | 111.8 | K345 P350 | K345-D348 WeakPolarHBondContact CB-OD2 3.21Å; K345-D348 PolarHBondContact O-N 2.9Å; D348-P350 WeakPolarHBondContact O-CD 3.36Å |
| 349 | I | 87.6 | Confident | 80.2 | Confident | 113 Ų | 113 | 118.9 Ų | 118.9 | 58% | 0.579 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -73 | 124.8 | 176.1 | -60.5 | 163.2 | 0 | 0 | 0 | 109 | L353 I354 | I349-L353 HydrophobicContact CG2-CB 3.76Å; I349-L353 HydrophobicContact CG2-CD1 4.11Å; I349-I354 HydrophobicContact CB-CG1 4.47Å; I349-I354 HydrophobicContact CG2-CG1 3.98Å |
| 350 | P | 89.5 | Confident | 82.3 | Confident | 27 Ų | 27 | 114.9 Ų | 114.9 | 18% | 0.175 | 58% | 0.576 | C | S | . | * | P | Polyproline II helix | trans | -51.1 | 138.7 | 174.4 | -25 | 24.3 | 0 | 0 | 0 | 113.4 | L344 D348 Y352 L353 I354 | L344-P350 HydrophobicContact CD1-CB 3.67Å; L344-P350 HydrophobicContact CD1-CG 3.6Å; D348-P350 WeakPolarHBondContact O-CD 3.36Å; P350-Y352 HydrophobicContact CB-CD1 3.36Å; P350-Y352 HydrophobicContact CB-CE1 3.17Å; P350-Y352 HydrophobicContact CB-CG 4.43Å; P350-Y352 HydrophobicContact CG-CD1 4.4Å; P350-Y352 HydrophobicContact CG-CE1 3.74Å; P350-Y352 PolarHBondContact O-N 3.4Å; P350-L353 HydrophobicContact CB-CD1 4.4Å; P350-L353 HydrophobicContact CB-CG 4.4Å; P350-L353 HydrophobicContact CG-CD1 4.02Å; P350-L353 WeakPolarHBondContact O-CB 3.39Å; P350-L353 PolarHBondContact O-N 2.95Å; P350-I354 PolarHBondContact O-N 3.36Å |
| 351 | P | 86.9 | Confident | 84.2 | Confident | 76 Ų | 76 | 116.8 Ų | 116.8 | 49% | 0.494 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.2 | -25.8 | -175.3 | 23.6 | -34.6 | 0 | 0 | 0 | 113.3 | L353 I354 K355 | P351-L353 VanDerWaalsContact C-N 3.34Å; P351-I354 PolarHBondContact O-N 3.19Å; P351-K355 WeakPolarHBondContact O-CG 3.36Å; P351-K355 PolarHBondContact O-N 2.96Å |
| 352 | Y | 93.1 | Very high | 86.1 | Confident | 140 Ų | 140 | 117.3 Ų | 117.3 | 55% | 0.549 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67 | -34.7 | 176 | 77.8 | -91.7 | 0 | 0 | 0 | 112.1 | P350 K355 M356 | P350-Y352 HydrophobicContact CB-CD1 3.36Å; P350-Y352 HydrophobicContact CB-CE1 3.17Å; P350-Y352 HydrophobicContact CB-CG 4.43Å; P350-Y352 HydrophobicContact CG-CD1 4.4Å; P350-Y352 HydrophobicContact CG-CE1 3.74Å; P350-Y352 PolarHBondContact O-N 3.4Å; Y352-K355 PolarHBondContact O-N 2.91Å; Y352-M356 HydrophobicContact CD2-SD 4.05Å; Y352-M356 WeakPolarHBondContact O-CB 3.4Å; Y352-M356 WeakPolarHBondContact O-CG 3.45Å; Y352-M356 PolarHBondContact O-N 3.4Å |
| 353 | L | 94 | Very high | 87.9 | Confident | 73 Ų | 73 | 114.7 Ų | 114.7 | 38% | 0.382 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.6 | -39.1 | 176.9 | -66.5 | 177.2 | 0 | 0 | 0 | 111.4 | I349 P350 P351 M356 K357 | I349-L353 HydrophobicContact CG2-CB 3.76Å; I349-L353 HydrophobicContact CG2-CD1 4.11Å; P350-L353 HydrophobicContact CB-CD1 4.4Å; P350-L353 HydrophobicContact CB-CG 4.4Å; P350-L353 HydrophobicContact CG-CD1 4.02Å; P350-L353 WeakPolarHBondContact O-CB 3.39Å; P350-L353 PolarHBondContact O-N 2.95Å; P351-L353 VanDerWaalsContact C-N 3.34Å; L353-M356 PolarHBondContact O-N 3.47Å; L353-K357 PolarHBondContact O-N 3.42Å |
| 354 | I | 93.8 | Very high | 89.4 | Confident | 79 Ų | 79 | 110.5 Ų | 110.5 | 41% | 0.405 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.5 | -49.9 | 174.3 | -58.6 | 174.3 | 0 | 0 | 0 | 109.9 | I349 P350 P351 M356 K357 Q358 | I349-I354 HydrophobicContact CB-CG1 4.47Å; I349-I354 HydrophobicContact CG2-CG1 3.98Å; P350-I354 PolarHBondContact O-N 3.36Å; P351-I354 PolarHBondContact O-N 3.19Å; I354-M356 VanDerWaalsContact C-N 3.32Å; I354-M356 PolarHBondContact O-N 3.47Å; I354-K357 PolarHBondContact O-N 2.93Å; I354-Q358 WeakPolarHBondContact O-CG 3.36Å; I354-Q358 PolarHBondContact O-N 3.33Å |
| 355 | K | 94.9 | Very high | 90.5 | Very high | 146 Ų | 146 | 110.5 Ų | 110.5 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.3 | -40 | 176.8 | -71.9 | 177.2 | -178.8 | -175.7 | 0 | 112.4 | P351 Y352 Q358 K359 | P351-K355 WeakPolarHBondContact O-CG 3.36Å; P351-K355 PolarHBondContact O-N 2.96Å; Y352-K355 PolarHBondContact O-N 2.91Å; K355-Q358 PolarHBondContact O-N 2.94Å; K355-K359 WeakPolarHBondContact O-CB 3.34Å; K355-K359 PolarHBondContact O-N 2.94Å |
| 356 | M | 95 | Very high | 91.3 | Very high | 121 Ų | 121 | 108.9 Ų | 108.9 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 176.2 | -76.8 | -177.8 | 74.6 | 0 | 0 | 111.8 | Y352 L353 I354 Q358 K359 E360 | Y352-M356 HydrophobicContact CD2-SD 4.05Å; Y352-M356 WeakPolarHBondContact O-CB 3.4Å; Y352-M356 WeakPolarHBondContact O-CG 3.45Å; Y352-M356 PolarHBondContact O-N 3.4Å; L353-M356 PolarHBondContact O-N 3.47Å; I354-M356 VanDerWaalsContact C-N 3.32Å; I354-M356 PolarHBondContact O-N 3.47Å; M356-Q358 PolarHBondContact O-N 3.48Å; M356-K359 PolarHBondContact O-N 3.49Å; M356-E360 WeakPolarHBondContact O-CB 3.48Å; M356-E360 PolarHBondContact O-N 2.94Å |
| 357 | K | 95.6 | Very high | 91.7 | Very high | 168 Ų | 168 | 106.7 Ų | 106.7 | 73% | 0.73 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -40.7 | 176.9 | -173 | 177.9 | -179.2 | 180 | 0 | 112 | L353 I354 E360 K361 | L353-K357 PolarHBondContact O-N 3.42Å; I354-K357 PolarHBondContact O-N 2.93Å; K357-E360 PolarHBondContact O-N 3.25Å; K357-K361 WeakPolarHBondContact O-CB 3.44Å; K357-K361 PolarHBondContact O-N 3.34Å |
| 358 | Q | 96.3 | Very high | 91.6 | Very high | 108 Ų | 108 | 107.3 Ų | 107.3 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 174.6 | -74.2 | 171.9 | -15.7 | 0 | 0 | 111.3 | I354 K355 M356 E360 K361 E362 | I354-Q358 WeakPolarHBondContact O-CG 3.36Å; I354-Q358 PolarHBondContact O-N 3.33Å; K355-Q358 PolarHBondContact O-N 2.94Å; M356-Q358 PolarHBondContact O-N 3.48Å; Q358-E360 VanDerWaalsContact C-N 3.29Å; Q358-E360 PolarHBondContact O-N 2.92Å; Q358-K361 WeakPolarHBondContact O-CB 3.35Å; Q358-K361 PolarHBondContact O-N 3.32Å; Q358-K361 VanDerWaalsContact O-N 3.16Å; Q358-E362 WeakPolarHBondContact O-CG 3.46Å; Q358-E362 PolarHBondContact O-N 3.07Å |
| 359 | K | 96.1 | Very high | 91.4 | Very high | 156 Ų | 156 | 109 Ų | 109 | 68% | 0.678 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -39.3 | 177.4 | -171.7 | 179.3 | -178.8 | -177.7 | 0 | 112.4 | K355 M356 E362 R363 | K355-K359 WeakPolarHBondContact O-CB 3.34Å; K355-K359 PolarHBondContact O-N 2.94Å; M356-K359 PolarHBondContact O-N 3.49Å; K359-E362 PolarHBondContact O-N 3.49Å; K359-R363 WeakPolarHBondContact O-CB 3.41Å; K359-R363 PolarHBondContact O-N 3.47Å |
| 360 | E | 94.4 | Very high | 91 | Very high | 82 Ų | 82 | 109.9 Ų | 109.9 | 38% | 0.383 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 176.5 | -175.3 | 59 | -166.3 | 0 | 0 | 111.7 | M356 K357 Q358 E362 R363 I364 | M356-E360 WeakPolarHBondContact O-CB 3.48Å; M356-E360 PolarHBondContact O-N 2.94Å; K357-E360 PolarHBondContact O-N 3.25Å; Q358-E360 VanDerWaalsContact C-N 3.29Å; Q358-E360 PolarHBondContact O-N 2.92Å; E360-E362 PolarHBondContact O-N 3.4Å; E360-R363 WeakPolarHBondContact O-CB 3.38Å; E360-R363 PolarHBondContact O-N 3.35Å; E360-R363 IonicContact OE1-CZ 3.4Å; E360-R363 IonicContact OE1-NE 3.15Å; E360-R363 PolarHBondContact OE1-NE 2.75Å; E360-R363 IonicContact OE1-NH2 3.11Å; E360-R363 PolarHBondContact OE1-NH2 2.99Å; E360-R363 IonicContact OE2-CZ 3.74Å; E360-R363 IonicContact OE2-NE 2.7Å; E360-R363 PolarHBondContact OE2-NE 3.04Å; E360-R363 IonicContact OE2-NH2 3.46Å; E360-I364 HydrophobicContact CG-CD1 4.02Å; E360-I364 WeakPolarHBondContact O-CG1 3.47Å; E360-I364 PolarHBondContact O-N 3.4Å |
| 361 | K | 95.1 | Very high | 90.4 | Very high | 162 Ų | 162 | 115.1 Ų | 115.1 | 70% | 0.704 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.7 | -45.4 | 173.5 | -173.9 | -179.1 | 179.1 | -178.3 | 0 | 111.5 | K357 Q358 R363 I364 Q365 | K357-K361 WeakPolarHBondContact O-CB 3.44Å; K357-K361 PolarHBondContact O-N 3.34Å; Q358-K361 WeakPolarHBondContact O-CB 3.35Å; Q358-K361 PolarHBondContact O-N 3.32Å; Q358-K361 VanDerWaalsContact O-N 3.16Å; K361-R363 VanDerWaalsContact C-N 3.32Å; K361-R363 PolarHBondContact O-N 2.71Å; K361-I364 PolarHBondContact O-N 3.41Å; K361-Q365 WeakPolarHBondContact O-CB 3.44Å; K361-Q365 PolarHBondContact O-N 2.89Å |
| 362 | E | 94.8 | Very high | 89.8 | Confident | 110 Ų | 110 | 116.1 Ų | 116.1 | 51% | 0.514 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 175.3 | -71.8 | 172.6 | -161.7 | 0 | 0 | 112.2 | Q358 K359 E360 K366 | Q358-E362 WeakPolarHBondContact O-CG 3.46Å; Q358-E362 PolarHBondContact O-N 3.07Å; K359-E362 PolarHBondContact O-N 3.49Å; E360-E362 PolarHBondContact O-N 3.4Å; E362-K366 WeakPolarHBondContact O-CB 3.45Å; E362-K366 VanDerWaalsContact O-CG 3.29Å; E362-K366 WeakPolarHBondContact O-CG 3.44Å; E362-K366 PolarHBondContact O-N 3.45Å |
| 363 | R | 93.6 | Very high | 89.1 | Confident | 123 Ų | 123 | 111.4 Ų | 111.4 | 46% | 0.464 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 176.6 | -169.9 | -173.2 | 74.5 | 76.7 | 1.3 | 111.2 | K359 E360 K361 K366 E367 | K359-R363 WeakPolarHBondContact O-CB 3.41Å; K359-R363 PolarHBondContact O-N 3.47Å; E360-R363 WeakPolarHBondContact O-CB 3.38Å; E360-R363 PolarHBondContact O-N 3.35Å; E360-R363 IonicContact OE1-CZ 3.4Å; E360-R363 IonicContact OE1-NE 3.15Å; E360-R363 PolarHBondContact OE1-NE 2.75Å; E360-R363 IonicContact OE1-NH2 3.11Å; E360-R363 PolarHBondContact OE1-NH2 2.99Å; E360-R363 IonicContact OE2-CZ 3.74Å; E360-R363 IonicContact OE2-NE 2.7Å; E360-R363 PolarHBondContact OE2-NE 3.04Å; E360-R363 IonicContact OE2-NH2 3.46Å; K361-R363 VanDerWaalsContact C-N 3.32Å; K361-R363 PolarHBondContact O-N 2.71Å; R363-K366 PolarHBondContact O-N 3.01Å; R363-E367 IonicContact NH1-OE2 2.67Å; R363-E367 PolarHBondContact NH1-OE2 3.23Å; R363-E367 VanDerWaalsContact NH1-OE2 3.11Å; R363-E367 WeakPolarHBondContact O-CB 3.26Å; R363-E367 PolarHBondContact O-N 3.18Å |
| 364 | I | 91.7 | Very high | 88.5 | Confident | 78 Ų | 78 | 113.2 Ų | 113.2 | 40% | 0.4 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 178.1 | -67.5 | 166.9 | 0 | 0 | 0 | 110.4 | E360 K361 E367 L368 | E360-I364 HydrophobicContact CG-CD1 4.02Å; E360-I364 WeakPolarHBondContact O-CG1 3.47Å; E360-I364 PolarHBondContact O-N 3.4Å; K361-I364 PolarHBondContact O-N 3.41Å; I364-E367 PolarHBondContact O-N 3.44Å; I364-L368 HydrophobicContact CG2-CD1 3.95Å; I364-L368 HydrophobicContact CG2-CG 4.36Å; I364-L368 WeakPolarHBondContact O-CG 3.29Å; I364-L368 PolarHBondContact O-N 2.86Å |
| 365 | Q | 90.5 | Very high | 88.1 | Confident | 96 Ų | 96 | 115 Ų | 115 | 45% | 0.449 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 177.2 | -177.3 | 62 | 27.4 | 0 | 0 | 111.6 | K361 E367 L368 E369 | K361-Q365 WeakPolarHBondContact O-CB 3.44Å; K361-Q365 PolarHBondContact O-N 2.89Å; Q365-E367 VanDerWaalsContact C-N 3.29Å; Q365-E367 PolarHBondContact O-N 2.95Å; Q365-L368 PolarHBondContact O-N 3.39Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.34Å; Q365-E369 PolarHBondContact NE2-OE1 2.9Å; Q365-E369 WeakPolarHBondContact O-CG 3.34Å; Q365-E369 PolarHBondContact O-N 3.18Å |
| 366 | K | 88.1 | Confident | 87.8 | Confident | 124 Ų | 124 | 111.6 Ų | 111.6 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 174.5 | -73.7 | 173.7 | -179 | 175.7 | 0 | 112 | E362 R363 N370 | E362-K366 WeakPolarHBondContact O-CB 3.45Å; E362-K366 VanDerWaalsContact O-CG 3.29Å; E362-K366 WeakPolarHBondContact O-CG 3.44Å; E362-K366 PolarHBondContact O-N 3.45Å; R363-K366 PolarHBondContact O-N 3.01Å; K366-N370 WeakPolarHBondContact O-CB 3.47Å; K366-N370 PolarHBondContact O-N 2.91Å; K366-N370 PolarHBondContact O-ND2 3.16Å |
| 367 | E | 85.9 | Confident | 87.6 | Confident | 85 Ų | 85 | 108.2 Ų | 108.2 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 177.2 | -165.8 | -177.4 | 143.6 | 0 | 0 | 111.5 | R363 I364 Q365 R371 | R363-E367 IonicContact NH1-OE2 2.67Å; R363-E367 PolarHBondContact NH1-OE2 3.23Å; R363-E367 VanDerWaalsContact NH1-OE2 3.11Å; R363-E367 WeakPolarHBondContact O-CB 3.26Å; R363-E367 PolarHBondContact O-N 3.18Å; I364-E367 PolarHBondContact O-N 3.44Å; Q365-E367 VanDerWaalsContact C-N 3.29Å; Q365-E367 PolarHBondContact O-N 2.95Å; E367-R371 VanDerWaalsContact O-CB 3.26Å; E367-R371 WeakPolarHBondContact O-CB 3.22Å; E367-R371 PolarHBondContact O-N 2.77Å; E367-R371 IonicContact OE1-NH2 2.79Å; E367-R371 PolarHBondContact OE1-NH2 3.26Å |
| 368 | L | 82.3 | Confident | 87.3 | Confident | 94 Ų | 94 | 106.2 Ų | 106.2 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 175.8 | -72.3 | 169.1 | 0 | 0 | 0 | 112.4 | I364 Q365 R371 | I364-L368 HydrophobicContact CG2-CD1 3.95Å; I364-L368 HydrophobicContact CG2-CG 4.36Å; I364-L368 WeakPolarHBondContact O-CG 3.29Å; I364-L368 PolarHBondContact O-N 2.86Å; Q365-L368 PolarHBondContact O-N 3.39Å; L368-R371 PolarHBondContact O-N 2.84Å |
| 369 | E | 79.4 | Confident | 87.1 | Confident | 128 Ų | 128 | 104 Ų | 104 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.9 | -37.2 | 176.6 | -73.4 | 167.9 | -170.3 | 0 | 0 | 112.6 | Q365 | Q365-E369 WeakPolarHBondContact CG-OE1 3.34Å; Q365-E369 PolarHBondContact NE2-OE1 2.9Å; Q365-E369 WeakPolarHBondContact O-CG 3.34Å; Q365-E369 PolarHBondContact O-N 3.18Å |
| 370 | N | 79.1 | Confident | 87 | Confident | 131 Ų | 131 | 99.6 Ų | 99.6 | 70% | 0.701 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -87.1 | -11.6 | 178.6 | -69.9 | -61.4 | 0 | 0 | 0 | 113.3 | K366 P372 | K366-N370 WeakPolarHBondContact O-CB 3.47Å; K366-N370 PolarHBondContact O-N 2.91Å; K366-N370 PolarHBondContact O-ND2 3.16Å; N370-P372 WeakPolarHBondContact O-CD 3.4Å |
| 371 | R | 77.1 | Confident | 86.9 | Confident | 138 Ų | 138 | 101.5 Ų | 101.5 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -66.9 | 121.9 | 177.8 | -177.1 | 173.9 | -67.9 | -177.1 | -0.1 | 107.3 | E367 L368 D373 | E367-R371 VanDerWaalsContact O-CB 3.26Å; E367-R371 WeakPolarHBondContact O-CB 3.22Å; E367-R371 PolarHBondContact O-N 2.77Å; E367-R371 IonicContact OE1-NH2 2.79Å; E367-R371 PolarHBondContact OE1-NH2 3.26Å; L368-R371 PolarHBondContact O-N 2.84Å; R371-D373 PolarHBondContact O-N 3.01Å |
| 372 | P | 74.8 | Confident | 86.7 | Confident | 97 Ų | 97 | 99.1 Ų | 99.1 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 139.9 | 173.1 | 24.8 | -32.9 | 0 | 0 | 0 | 108.8 | N370 P374 | N370-P372 WeakPolarHBondContact O-CD 3.4Å; P372-P374 VanDerWaalsContact O-N 3.14Å |
| 373 | D | 78.5 | Confident | 86.7 | Confident | 40 Ų | 40 | 94.6 Ų | 94.6 | 21% | 0.214 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 123.3 | 179 | -96.6 | -44.2 | 0 | 0 | 0 | 108 | R371 D375 Q376 R382 K443 F445 | R371-D373 PolarHBondContact O-N 3.01Å; D373-D375 PolarHBondContact O-N 3.1Å; D373-D375 VanDerWaalsContact O-N 3.09Å; D373-Q376 HydrophobicContact CB-CB 4.14Å; D373-Q376 VanDerWaalsContact O-CB 3.28Å; D373-Q376 WeakPolarHBondContact O-CB 3.37Å; D373-Q376 PolarHBondContact O-N 2.98Å; D373-R382 IonicContact OD2-NH1 3.45Å; D373-K443 IonicContact OD1-NZ 3.19Å; D373-K443 PolarHBondContact OD1-NZ 2.71Å; D373-K443 IonicContact OD2-NZ 3.52Å; D373-F445 HydrophobicContact CB-CE1 4.43Å; D373-F445 HydrophobicContact CB-CZ 4.22Å |
| 374 | P | 80.9 | Confident | 86.8 | Confident | 112 Ų | 112 | 91.6 Ų | 91.6 | 73% | 0.727 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.1 | -174.5 | 25.2 | -34.8 | 0 | 0 | 0 | 112.5 | P372 | P372-P374 VanDerWaalsContact O-N 3.14Š|
| 375 | D | 85.3 | Confident | 86.9 | Confident | 116 Ų | 116 | 93.5 Ų | 93.5 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -6.1 | -180 | -53.7 | -33.8 | 0 | 0 | 0 | 113 | D373 P377 F445 | D373-D375 PolarHBondContact O-N 3.1Å; D373-D375 VanDerWaalsContact O-N 3.09Å; D375-P377 WeakPolarHBondContact O-CD 3.47Å; D375-F445 HydrophobicContact CB-CE2 4.37Å |
| 376 | Q | 89 | Confident | 87.2 | Confident | 74 Ų | 74 | 95.5 Ų | 95.5 | 35% | 0.346 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 116.1 | -176.8 | -177.1 | 175 | -34.3 | 0 | 0 | 110.3 | D373 H380 F445 | D373-Q376 HydrophobicContact CB-CB 4.14Å; D373-Q376 VanDerWaalsContact O-CB 3.28Å; D373-Q376 WeakPolarHBondContact O-CB 3.37Å; D373-Q376 PolarHBondContact O-N 2.98Å; Q376-H380 PolarHBondContact NE2-O 3.44Å; Q376-F445 HydrophobicContact CB-CD1 4.15Å; Q376-F445 HydrophobicContact CB-CE1 3.64Å; Q376-F445 HydrophobicContact CB-CZ 3.99Å; Q376-F445 HydrophobicContact CG-CD1 3.8Å; Q376-F445 HydrophobicContact CG-CE1 3.76Å |
| 377 | P | 91.3 | Very high | 87.6 | Confident | 51 Ų | 51 | 94.2 Ų | 94.2 | 33% | 0.331 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 148 | 178.9 | -21.2 | 34.4 | 0 | 0 | 0 | 111.6 | D375 G379 H380 | D375-P377 WeakPolarHBondContact O-CD 3.47Å; P377-G379 PolarHBondContact O-N 2.9Å; P377-H380 HydrophobicContact CB-CB 4.31Å; P377-H380 WeakPolarHBondContact O-CB 3.28Å; P377-H380 PolarHBondContact O-N 2.85Å; P377-H380 VanDerWaalsContact O-N 3.1Å |
| 378 | P | 89.9 | Confident | 88.2 | Confident | 126 Ų | 126 | 91.3 Ų | 91.3 | 82% | 0.818 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 136.3 | 175.9 | -24.8 | 33.5 | 0 | 0 | 0 | 111.9 | H380 | P378-H380 PolarHBondContact O-N 3.09Å; P378-H380 PolarHBondContact O-ND1 2.85Å |
| 379 | G | 90.7 | Very high | 88.9 | Confident | 61 Ų | 61 | 90.8 Ų | 90.8 | 63% | 0.629 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 10 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | P377 P448 | P377-G379 PolarHBondContact O-N 2.9Å; G379-P448 WeakPolarHBondContact O-CD 3.39Å |
| 380 | H | 93.8 | Very high | 89.8 | Confident | 63 Ų | 63 | 91.7 Ų | 91.7 | 29% | 0.292 | 48% | 0.481 | S | S | . | . | trans | -108.6 | 154.7 | 172.1 | -64.6 | 62.3 | 0 | 0 | 0 | 110.4 | Q376 P377 P378 F445 I446 | Q376-H380 PolarHBondContact NE2-O 3.44Å; P377-H380 HydrophobicContact CB-CB 4.31Å; P377-H380 WeakPolarHBondContact O-CB 3.28Å; P377-H380 PolarHBondContact O-N 2.85Å; P377-H380 VanDerWaalsContact O-N 3.1Å; P378-H380 PolarHBondContact O-N 3.09Å; P378-H380 PolarHBondContact O-ND1 2.85Å; H380-F445 HydrophobicContact CB-CB 4.05Å; H380-I446 CarbonylContact C-O 3.44Å; H380-I446 VanDerWaalsContact CA-O 3.25Å; H380-I446 WeakPolarHBondContact CA-O 3.41Å; H380-I446 WeakPolarHBondContact CB-O 3.47Å | ||
| 381 | Q | 92.3 | Very high | 90.7 | Very high | 123 Ų | 123 | 87.3 Ų | 87.3 | 58% | 0.575 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144.7 | 175 | 178.8 | 176.1 | -14.1 | 0 | 0 | 109.7 | M383 F445 I446 | Q381-M383 PolarHBondContact O-N 3.46Å; Q381-F445 CarbonylContact O-C 3.48Å; Q381-F445 WeakPolarHBondContact O-CA 3.17Å; Q381-I446 PolarHBondContact N-O 3.08Å; Q381-I446 PolarHBondContact O-N 3.38Å |
| 382 | R | 92.2 | Very high | 91.7 | Very high | 111 Ų | 111 | 82 Ų | 82 | 42% | 0.419 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 127.2 | 173.7 | -177.2 | 174.7 | 170.8 | -176 | -6.8 | 110.6 | D373 F445 | D373-R382 IonicContact OD2-NH1 3.45Å; R382-F445 HydrophobicContact CB-CD1 3.96Å; R382-F445 HydrophobicContact CB-CE1 3.9Å; R382-F445 HydrophobicContact CG-CE1 4.35Å |
| 383 | M | 94.2 | Very high | 92.8 | Very high | 15 Ų | 15 | 84.2 Ų | 84.2 | 7% | 0.074 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 132.6 | 172.4 | -171.4 | 179.5 | -104.5 | 0 | 0 | 110 | Q381 E387 R388 F439 V444 I446 | Q381-M383 PolarHBondContact O-N 3.46Å; M383-E387 HydrophobicContact CE-CG 4.37Å; M383-E387 HydrophobicContact CG-CB 4.18Å; M383-E387 HydrophobicContact CG-CG 4.33Å; M383-R388 HydrophobicContact CG-CB 4.23Å; M383-R388 WeakPolarHBondContact SD-CA 3.49Å; M383-R388 HydrophobicContact SD-CB 3.7Å; M383-R388 HydrophobicContact SD-CG 4.23Å; M383-F439 HydrophobicContact CE-CD1 4.37Å; M383-F439 HydrophobicContact CE-CE1 3.46Å; M383-F439 VanDerWaalsContact CE-CE1 3.46Å; M383-F439 HydrophobicContact CE-CZ 4.16Å; M383-F439 HydrophobicContact SD-CD1 4.03Å; M383-F439 HydrophobicContact SD-CE1 3.64Å; M383-V444 HydrophobicContact CB-CB 4.31Å; M383-V444 PolarHBondContact N-O 3.04Å; M383-I446 HydrophobicContact CB-CD1 3.75Å; M383-I446 HydrophobicContact CB-CG1 4.02Å; M383-I446 HydrophobicContact CE-CD1 3.16Å; M383-I446 HydrophobicContact CE-CG1 3.95Å; M383-I446 HydrophobicContact CG-CD1 3.75Å; M383-I446 HydrophobicContact CG-CG1 4.48Å; M383-I446 HydrophobicContact SD-CD1 4.1Å |
| 384 | P | 94.9 | Very high | 93.7 | Very high | 60 Ų | 60 | 88 Ų | 88 | 39% | 0.39 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 145.8 | 173.9 | 26.1 | -30.8 | 0 | 0 | 0 | 110.5 | Q386 E387 R388 | P384-Q386 VanDerWaalsContact C-N 3.31Å; P384-Q386 PolarHBondContact O-N 3.28Å; P384-E387 WeakPolarHBondContact CD-OE2 3.24Å; P384-E387 HydrophobicContact CG-CB 3.76Å; P384-E387 VanDerWaalsContact CG-OE2 3.24Å; P384-E387 WeakPolarHBondContact CG-OE2 3.36Å; P384-E387 PolarHBondContact O-N 3.14Å; P384-E387 VanDerWaalsContact O-N 3.12Å; P384-R388 PolarHBondContact O-N 3.4Å |
| 385 | E | 95.5 | Very high | 94.6 | Very high | 119 Ų | 119 | 84 Ų | 84 | 56% | 0.556 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.2 | -38.5 | -171.6 | -176.5 | 174.1 | -171 | 0 | 0 | 112.8 | E387 R388 L389 | E385-E387 VanDerWaalsContact C-N 3.31Å; E385-E387 PolarHBondContact O-N 2.82Å; E385-R388 WeakPolarHBondContact O-CB 3.4Å; E385-R388 PolarHBondContact O-N 3.01Å; E385-L389 HydrophobicContact CG-CD1 4.21Å; E385-L389 HydrophobicContact CG-CG 4.49Å; E385-L389 WeakPolarHBondContact O-CG 3.25Å; E385-L389 PolarHBondContact O-N 3.17Å |
| 386 | Q | 96.6 | Very high | 95.2 | Very high | 138 Ų | 138 | 81.7 Ų | 81.7 | 65% | 0.645 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.4 | -37.8 | 178.4 | -60 | 96.2 | -15.9 | 0 | 0 | 112.2 | P384 K390 | P384-Q386 VanDerWaalsContact C-N 3.31Å; P384-Q386 PolarHBondContact O-N 3.28Å; Q386-K390 VanDerWaalsContact O-CG 3.27Å; Q386-K390 WeakPolarHBondContact O-CG 3.36Å; Q386-K390 PolarHBondContact O-N 3.12Å; Q386-K390 VanDerWaalsContact O-N 3.14Å |
| 387 | E | 96.4 | Very high | 95.6 | Very high | 97 Ų | 97 | 84.3 Ų | 84.3 | 45% | 0.453 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.4 | -38.8 | 178.6 | -171.6 | 179.2 | 171.1 | 0 | 0 | 111.4 | M383 P384 E385 L389 K390 T391 | M383-E387 HydrophobicContact CE-CG 4.37Å; M383-E387 HydrophobicContact CG-CB 4.18Å; M383-E387 HydrophobicContact CG-CG 4.33Å; P384-E387 WeakPolarHBondContact CD-OE2 3.24Å; P384-E387 HydrophobicContact CG-CB 3.76Å; P384-E387 VanDerWaalsContact CG-OE2 3.24Å; P384-E387 WeakPolarHBondContact CG-OE2 3.36Å; P384-E387 PolarHBondContact O-N 3.14Å; P384-E387 VanDerWaalsContact O-N 3.12Å; E385-E387 VanDerWaalsContact C-N 3.31Å; E385-E387 PolarHBondContact O-N 2.82Å; E387-L389 PolarHBondContact O-N 2.94Å; E387-K390 PolarHBondContact O-N 3.39Å; E387-T391 WeakPolarHBondContact O-CB 3.27Å; E387-T391 PolarHBondContact O-N 3.48Å; E387-T391 PolarHBondContact O-OG1 2.8Å |
| 388 | R | 97.5 | Very high | 95.9 | Very high | 24 Ų | 24 | 83.3 Ų | 83.3 | 9% | 0.091 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -57.3 | -49.2 | 173.2 | -173.8 | -166.9 | 68.2 | 96.1 | -3.6 | 111.5 | M383 P384 E385 T391 L392 F439 S440 K441 V444 | M383-R388 HydrophobicContact CG-CB 4.23Å; M383-R388 WeakPolarHBondContact SD-CA 3.49Å; M383-R388 HydrophobicContact SD-CB 3.7Å; M383-R388 HydrophobicContact SD-CG 4.23Å; P384-R388 PolarHBondContact O-N 3.4Å; E385-R388 WeakPolarHBondContact O-CB 3.4Å; E385-R388 PolarHBondContact O-N 3.01Å; R388-T391 PolarHBondContact O-N 2.9Å; R388-L392 WeakPolarHBondContact O-CB 3.44Å; R388-L392 PolarHBondContact O-N 3.33Å; R388-F439 HydrophobicContact CG-CD1 4.26Å; R388-F439 PolarHBondContact NH1-O 3Å; R388-S440 PolarHBondContact NH1-O 3.32Å; R388-K441 VanDerWaalsContact CD-O 3.27Å; R388-K441 WeakPolarHBondContact CD-O 3.36Å; R388-K441 PolarHBondContact NH1-O 3.46Å; R388-K441 VanDerWaalsContact NH1-O 3.17Å; R388-V444 HydrophobicContact CG-CG2 4.02Å |
| 389 | L | 97.7 | Very high | 96.4 | Very high | 82 Ų | 82 | 79.6 Ų | 79.6 | 43% | 0.429 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | -179.5 | -70.7 | 174.3 | 0 | 0 | 0 | 112.1 | E385 E387 T391 L392 E393 | E385-L389 HydrophobicContact CG-CD1 4.21Å; E385-L389 HydrophobicContact CG-CG 4.49Å; E385-L389 WeakPolarHBondContact O-CG 3.25Å; E385-L389 PolarHBondContact O-N 3.17Å; E387-L389 PolarHBondContact O-N 2.94Å; L389-T391 VanDerWaalsContact C-N 3.32Å; L389-T391 PolarHBondContact O-N 3.3Å; L389-L392 PolarHBondContact O-N 3.4Å; L389-E393 PolarHBondContact O-N 3.2Å |
| 390 | K | 97.9 | Very high | 96.7 | Very high | 148 Ų | 148 | 80.1 Ų | 80.1 | 64% | 0.643 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.1 | -43.4 | 174.5 | -74.5 | 174.7 | -178.6 | -176.5 | 0 | 112.1 | Q386 E387 E393 L394 | Q386-K390 VanDerWaalsContact O-CG 3.27Å; Q386-K390 WeakPolarHBondContact O-CG 3.36Å; Q386-K390 PolarHBondContact O-N 3.12Å; Q386-K390 VanDerWaalsContact O-N 3.14Å; E387-K390 PolarHBondContact O-N 3.39Å; K390-E393 PolarHBondContact O-N 3.01Å; K390-L394 PolarHBondContact O-N 2.91Å; K390-L394 VanDerWaalsContact O-N 3.08Å |
| 391 | T | 97.8 | Very high | 96.9 | Very high | 38 Ų | 38 | 81.6 Ų | 81.6 | 23% | 0.233 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 177.8 | -54.1 | 0 | 0 | 0 | 0 | 111 | E387 R388 L389 E393 L394 L395 F439 | E387-T391 WeakPolarHBondContact O-CB 3.27Å; E387-T391 PolarHBondContact O-N 3.48Å; E387-T391 PolarHBondContact O-OG1 2.8Å; R388-T391 PolarHBondContact O-N 2.9Å; L389-T391 VanDerWaalsContact C-N 3.32Å; L389-T391 PolarHBondContact O-N 3.3Å; T391-E393 PolarHBondContact O-N 3.37Å; T391-L394 PolarHBondContact O-N 3.29Å; T391-L395 HydrophobicContact CG2-CD1 4.16Å; T391-L395 VanDerWaalsContact O-CG 3.32Å; T391-L395 WeakPolarHBondContact O-CG 3.45Å; T391-L395 PolarHBondContact O-N 3.5Å; T391-F439 HydrophobicContact CG2-CD1 4.2Å; T391-F439 HydrophobicContact CG2-CD2 4.13Å; T391-F439 HydrophobicContact CG2-CE1 4.03Å; T391-F439 HydrophobicContact CG2-CE2 3.94Å; T391-F439 HydrophobicContact CG2-CG 4.26Å; T391-F439 HydrophobicContact CG2-CZ 3.9Å |
| 392 | L | 98.1 | Very high | 97.1 | Very high | 28 Ų | 28 | 76.8 Ų | 76.8 | 15% | 0.147 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.8 | -177.3 | 62.9 | 0 | 0 | 0 | 112.1 | R388 L389 L395 N396 I436 F439 | R388-L392 WeakPolarHBondContact O-CB 3.44Å; R388-L392 PolarHBondContact O-N 3.33Å; L389-L392 PolarHBondContact O-N 3.4Å; L392-L395 PolarHBondContact O-N 3.16Å; L392-N396 WeakPolarHBondContact O-CB 3.39Å; L392-N396 PolarHBondContact O-N 3.36Å; L392-N396 PolarHBondContact O-ND2 3.49Å; L392-N396 VanDerWaalsContact O-ND2 3.15Å; L392-I436 HydrophobicContact CD1-CG2 4.1Å; L392-F439 HydrophobicContact CB-CB 4.36Å; L392-F439 HydrophobicContact CD1-CB 4.14Å |
| 393 | E | 98.2 | Very high | 97.4 | Very high | 143 Ų | 143 | 74.1 Ų | 74.1 | 67% | 0.668 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.7 | -45.5 | 175.4 | -172.9 | -176.3 | 173.9 | 0 | 0 | 111.7 | L389 K390 T391 L395 N396 K397 | L389-E393 PolarHBondContact O-N 3.2Å; K390-E393 PolarHBondContact O-N 3.01Å; T391-E393 PolarHBondContact O-N 3.37Å; E393-L395 PolarHBondContact O-N 3.37Å; E393-N396 PolarHBondContact O-N 3.04Å; E393-K397 PolarHBondContact O-N 3.41Å |
| 394 | L | 98.2 | Very high | 97.6 | Very high | 119 Ų | 119 | 78.9 Ų | 78.9 | 62% | 0.623 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | 176.9 | 179.6 | 63.2 | 0 | 0 | 0 | 112 | K390 T391 K397 A398 | K390-L394 PolarHBondContact O-N 2.91Å; K390-L394 VanDerWaalsContact O-N 3.08Å; T391-L394 PolarHBondContact O-N 3.29Å; L394-K397 PolarHBondContact O-N 3.42Å; L394-A398 PolarHBondContact O-N 3.49Å |
| 395 | L | 98.3 | Very high | 97.7 | Very high | 27 Ų | 27 | 79.8 Ų | 79.8 | 14% | 0.141 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 178.2 | -71.1 | 171.1 | 0 | 0 | 0 | 111.9 | T391 L392 E393 K397 A398 H399 L432 A435 I436 F439 | T391-L395 HydrophobicContact CG2-CD1 4.16Å; T391-L395 VanDerWaalsContact O-CG 3.32Å; T391-L395 WeakPolarHBondContact O-CG 3.45Å; T391-L395 PolarHBondContact O-N 3.5Å; L392-L395 PolarHBondContact O-N 3.16Å; E393-L395 PolarHBondContact O-N 3.37Å; L395-K397 VanDerWaalsContact C-N 3.34Å; L395-K397 PolarHBondContact O-N 2.77Å; L395-A398 PolarHBondContact O-N 3.38Å; L395-H399 WeakPolarHBondContact O-CB 3.4Å; L395-H399 PolarHBondContact O-N 3.44Å; L395-L432 HydrophobicContact CD2-CD2 3.68Å; L395-A435 HydrophobicContact CD1-CB 3.84Å; L395-A435 HydrophobicContact CD2-CB 4.01Å; L395-I436 HydrophobicContact CB-CD1 4.47Å; L395-I436 HydrophobicContact CB-CG1 3.79Å; L395-F439 HydrophobicContact CD1-CB 4.38Å; L395-F439 HydrophobicContact CD1-CD2 3.35Å; L395-F439 HydrophobicContact CD1-CE2 3.96Å; L395-F439 HydrophobicContact CD1-CG 4.14Å |
| 396 | N | 98.3 | Very high | 97.7 | Very high | 69 Ų | 69 | 77.3 Ų | 77.3 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176 | -77.8 | -37.5 | 0 | 0 | 0 | 111.6 | L392 E393 A398 H399 T400 | L392-N396 WeakPolarHBondContact O-CB 3.39Å; L392-N396 PolarHBondContact O-N 3.36Å; L392-N396 PolarHBondContact O-ND2 3.49Å; L392-N396 VanDerWaalsContact O-ND2 3.15Å; E393-N396 PolarHBondContact O-N 3.04Å; N396-A398 PolarHBondContact O-N 3.28Å; N396-H399 WeakPolarHBondContact O-CB 3.5Å; N396-H399 PolarHBondContact O-N 2.92Å; N396-T400 WeakPolarHBondContact O-CG2 3.49Å; N396-T400 PolarHBondContact O-N 2.76Å; N396-T400 PolarHBondContact O-OG1 3.43Å |
| 397 | K | 98.4 | Very high | 97.7 | Very high | 128 Ų | 128 | 74.8 Ų | 74.8 | 56% | 0.557 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 176.4 | -175.2 | 178.9 | 179.7 | 179.3 | 0 | 112.2 | E393 L394 L395 H399 T400 Q401 | E393-K397 PolarHBondContact O-N 3.41Å; L394-K397 PolarHBondContact O-N 3.42Å; L395-K397 VanDerWaalsContact C-N 3.34Å; L395-K397 PolarHBondContact O-N 2.77Å; K397-H399 VanDerWaalsContact C-N 3.34Å; K397-T400 PolarHBondContact O-OG1 3.01Å; K397-Q401 VanDerWaalsContact O-CG 3.23Å; K397-Q401 WeakPolarHBondContact O-CG 3.29Å; K397-Q401 PolarHBondContact O-N 2.95Å; K397-Q401 VanDerWaalsContact O-N 3.15Å |
| 398 | A | 98.2 | Very high | 97.7 | Very high | 30 Ų | 30 | 77.5 Ų | 77.5 | 25% | 0.248 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L394 L395 N396 Q401 L402 L432 | L394-A398 PolarHBondContact O-N 3.49Å; L395-A398 PolarHBondContact O-N 3.38Å; N396-A398 PolarHBondContact O-N 3.28Å; A398-Q401 PolarHBondContact O-N 3.08Å; A398-L402 PolarHBondContact O-N 3.47Å; A398-L432 HydrophobicContact CB-CD1 3.98Å; A398-L432 HydrophobicContact CB-CD2 4.28Å |
| 399 | H | 98.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 78.2 Ų | 78.2 | 22% | 0.222 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 177.6 | 177.1 | -81.9 | 0 | 0 | 0 | 111.7 | L395 N396 K397 Q401 L402 S403 L432 E433 I436 | L395-H399 WeakPolarHBondContact O-CB 3.4Å; L395-H399 PolarHBondContact O-N 3.44Å; N396-H399 WeakPolarHBondContact O-CB 3.5Å; N396-H399 PolarHBondContact O-N 2.92Å; K397-H399 VanDerWaalsContact C-N 3.34Å; H399-Q401 VanDerWaalsContact C-N 3.34Å; H399-Q401 PolarHBondContact O-N 3.44Å; H399-L402 PolarHBondContact O-N 3.3Å; H399-S403 WeakPolarHBondContact O-CB 3.17Å; H399-S403 PolarHBondContact O-N 2.94Å; H399-L432 HydrophobicContact CB-CD1 4.19Å; H399-E433 IonicContact NE2-OE1 2.95Å; H399-I436 HydrophobicContact CB-CD1 3.83Å |
| 400 | T | 98 | Very high | 97.6 | Very high | 72 Ų | 72 | 77.8 Ų | 77.8 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.1 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | N396 K397 S403 E404 | N396-T400 WeakPolarHBondContact O-CG2 3.49Å; N396-T400 PolarHBondContact O-N 2.76Å; N396-T400 PolarHBondContact O-OG1 3.43Å; K397-T400 PolarHBondContact O-OG1 3.01Å; T400-S403 PolarHBondContact O-N 3.47Å; T400-E404 WeakPolarHBondContact O-CG 3.27Å; T400-E404 PolarHBondContact O-N 3.28Å |
| 401 | Q | 97.8 | Very high | 97.5 | Very high | 95 Ų | 95 | 77.5 Ų | 77.5 | 44% | 0.444 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 177.6 | -73.4 | 173.2 | -14.8 | 0 | 0 | 112.4 | K397 A398 H399 S403 E404 E405 | K397-Q401 VanDerWaalsContact O-CG 3.23Å; K397-Q401 WeakPolarHBondContact O-CG 3.29Å; K397-Q401 PolarHBondContact O-N 2.95Å; K397-Q401 VanDerWaalsContact O-N 3.15Å; A398-Q401 PolarHBondContact O-N 3.08Å; H399-Q401 VanDerWaalsContact C-N 3.34Å; H399-Q401 PolarHBondContact O-N 3.44Å; Q401-S403 VanDerWaalsContact C-N 3.35Å; Q401-E404 PolarHBondContact O-N 3.15Å; Q401-E405 PolarHBondContact O-N 2.96Å |
| 402 | L | 97.5 | Very high | 97.4 | Very high | 22 Ų | 22 | 84.9 Ų | 84.9 | 12% | 0.115 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69 | -33 | 177.6 | -74 | -178 | 0 | 0 | 0 | 112.8 | A398 H399 E405 F406 I425 R428 L429 L432 | A398-L402 PolarHBondContact O-N 3.47Å; H399-L402 PolarHBondContact O-N 3.3Å; L402-E405 PolarHBondContact O-N 3.03Å; L402-F406 WeakPolarHBondContact O-CB 3.46Å; L402-F406 PolarHBondContact O-N 3.19Å; L402-I425 HydrophobicContact CB-CG2 4.42Å; L402-R428 HydrophobicContact CD1-CB 3.61Å; L402-L429 HydrophobicContact CB-CD2 3.84Å; L402-L429 HydrophobicContact CB-CG 4.21Å; L402-L432 HydrophobicContact CD1-CD1 3.77Å |
| 403 | S | 97.7 | Very high | 97.2 | Very high | 55 Ų | 55 | 87.2 Ų | 87.2 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 174 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | H399 T400 Q401 F406 S407 | H399-S403 WeakPolarHBondContact O-CB 3.17Å; H399-S403 PolarHBondContact O-N 2.94Å; T400-S403 PolarHBondContact O-N 3.47Å; Q401-S403 VanDerWaalsContact C-N 3.35Å; S403-F406 PolarHBondContact O-N 2.86Å; S403-S407 PolarHBondContact O-N 3.48Å |
| 404 | E | 97.8 | Very high | 97.1 | Very high | 114 Ų | 114 | 86.2 Ų | 86.2 | 53% | 0.533 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 172.5 | -73.8 | 171.3 | -171.4 | 0 | 0 | 110.5 | T400 Q401 F406 S407 H408 | T400-E404 WeakPolarHBondContact O-CG 3.27Å; T400-E404 PolarHBondContact O-N 3.28Å; Q401-E404 PolarHBondContact O-N 3.15Å; E404-F406 VanDerWaalsContact C-N 3.3Å; E404-F406 PolarHBondContact O-N 3.39Å; E404-S407 PolarHBondContact O-N 3.32Å; E404-S407 VanDerWaalsContact O-N 3.1Å; E404-S407 PolarHBondContact O-OG 3.34Å; E404-H408 PolarHBondContact O-CD2 3.36Å; E404-H408 PolarHBondContact O-N 3.23Å; E404-H408 VanDerWaalsContact O-N 3.07Å |
| 405 | E | 96.7 | Very high | 97.1 | Very high | 80 Ų | 80 | 83.9 Ų | 83.9 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.5 | -41.6 | 175.2 | -73.7 | -172 | -153.7 | 0 | 0 | 112.9 | Q401 L402 S407 H408 L409 R421 I425 | Q401-E405 PolarHBondContact O-N 2.96Å; L402-E405 PolarHBondContact O-N 3.03Å; E405-S407 VanDerWaalsContact C-N 3.33Å; E405-S407 PolarHBondContact O-N 2.78Å; E405-H408 PolarHBondContact O-N 3.48Å; E405-L409 PolarHBondContact O-N 2.86Å; E405-R421 IonicContact OE2-CZ 3.36Å; E405-R421 IonicContact OE2-NH2 3.76Å; E405-R421 PolarHBondContact OE2-NH2 3.26Å; E405-I425 HydrophobicContact CB-CD1 4.2Å |
| 406 | F | 97 | Very high | 97.1 | Very high | 67 Ų | 67 | 88.4 Ų | 88.4 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 175.9 | -175.6 | -101.3 | 0 | 0 | 0 | 111.3 | L402 S403 E404 H408 L409 R422 I425 E426 L429 | L402-F406 WeakPolarHBondContact O-CB 3.46Å; L402-F406 PolarHBondContact O-N 3.19Å; S403-F406 PolarHBondContact O-N 2.86Å; E404-F406 VanDerWaalsContact C-N 3.3Å; E404-F406 PolarHBondContact O-N 3.39Å; F406-H408 VanDerWaalsContact C-N 3.25Å; F406-H408 PolarHBondContact O-N 3.01Å; F406-L409 HydrophobicContact CD2-CD1 4.2Å; F406-L409 WeakPolarHBondContact O-CB 3.5Å; F406-L409 PolarHBondContact O-N 3.28Å; F406-R422 HydrophobicContact CE2-CG 3.87Å; F406-I425 HydrophobicContact CB-CG2 3.86Å; F406-I425 HydrophobicContact CD2-CG2 4.06Å; F406-I425 HydrophobicContact CG-CG2 4.42Å; F406-E426 HydrophobicContact CD2-CG 4.3Å; F406-E426 HydrophobicContact CE2-CG 3.63Å; F406-E426 WeakPolarHBondContact CE2-OE1 3.45Å; F406-E426 HydrophobicContact CZ-CG 4.38Å; F406-L429 HydrophobicContact CB-CD1 4.35Å; F406-L429 HydrophobicContact CG-CD1 4.47Å |
| 407 | S | 96.5 | Very high | 97 | Very high | 84 Ų | 84 | 95.5 Ų | 95.5 | 59% | 0.587 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.5 | -25.8 | 178.8 | 79.2 | 0 | 0 | 0 | 0 | 113.4 | S403 E404 E405 L409 | S403-S407 PolarHBondContact O-N 3.48Å; E404-S407 PolarHBondContact O-N 3.32Å; E404-S407 VanDerWaalsContact O-N 3.1Å; E404-S407 PolarHBondContact O-OG 3.34Å; E405-S407 VanDerWaalsContact C-N 3.33Å; E405-S407 PolarHBondContact O-N 2.78Å; S407-L409 VanDerWaalsContact C-N 3.34Å |
| 408 | H | 96.1 | Very high | 97 | Very high | 154 Ų | 154 | 91.3 Ų | 91.3 | 71% | 0.713 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -6.9 | 176.8 | -70.6 | -49 | 0 | 0 | 0 | 114 | E404 E405 F406 | E404-H408 PolarHBondContact O-CD2 3.36Å; E404-H408 PolarHBondContact O-N 3.23Å; E404-H408 VanDerWaalsContact O-N 3.07Å; E405-H408 PolarHBondContact O-N 3.48Å; F406-H408 VanDerWaalsContact C-N 3.25Å; F406-H408 PolarHBondContact O-N 3.01Å |
| 409 | L | 95.8 | Very high | 96.9 | Very high | 40 Ų | 40 | 96 Ų | 96 | 21% | 0.209 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -68.2 | 141.3 | 176.6 | -67.2 | 177.4 | 0 | 0 | 0 | 111.2 | E405 F406 S407 V411 R421 R422 I425 | E405-L409 PolarHBondContact O-N 2.86Å; F406-L409 HydrophobicContact CD2-CD1 4.2Å; F406-L409 WeakPolarHBondContact O-CB 3.5Å; F406-L409 PolarHBondContact O-N 3.28Å; S407-L409 VanDerWaalsContact C-N 3.34Å; L409-V411 PolarHBondContact O-N 3.37Å; L409-R421 HydrophobicContact CD2-CG 4.09Å; L409-R422 HydrophobicContact CD1-CB 3.87Å; L409-R422 HydrophobicContact CD1-CG 4.08Å; L409-I425 HydrophobicContact CD1-CD1 4.09Å; L409-I425 HydrophobicContact CG-CD1 4.5Å |
| 410 | P | 96.6 | Very high | 96.9 | Very high | 72 Ų | 72 | 96.9 Ų | 96.9 | 47% | 0.468 | 49% | 0.487 | S | S | . | . | trans | -57.5 | 138.9 | 173.9 | -23.6 | 33.3 | 0 | 0 | 0 | 111.8 | R412 I418 | P410-R412 PolarHBondContact O-N 3Å; P410-I418 HydrophobicContact CG-CD1 4.19Å | ||
| 411 | V | 95.3 | Very high | 96.9 | Very high | 143 Ų | 143 | 97.3 Ų | 97.3 | 87% | 0.867 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -60.2 | -34.5 | 177.7 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | L409 | L409-V411 PolarHBondContact O-N 3.37Š|
| 412 | R | 96.4 | Very high | 96.8 | Very high | 192 Ų | 192 | 96.5 Ų | 96.5 | 73% | 0.725 | 47% | 0.474 | S | S | * | . | trans | -83.3 | 134 | 176 | -66.8 | -171.7 | 178.4 | 118 | 0.3 | 111.3 | P410 | P410-R412 PolarHBondContact O-N 3Š| ||
| 413 | M | 95.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 98 Ų | 98 | 38% | 0.379 | 49% | 0.49 | S | S | . | . | trans | -112.7 | 43.2 | -175.5 | -62.8 | -173.5 | -72.1 | 0 | 0 | 112.7 | I418 R419 R422 | M413-I418 HydrophobicContact CG-CG2 4.42Å; M413-R419 HydrophobicContact CB-CG 3.95Å; M413-R419 WeakPolarHBondContact O-CG 3.33Å; M413-R422 WeakPolarHBondContact SD-CD 3.32Å; M413-R422 PolarHBondContact SD-NH1 3.47Å | ||
| 414 | D | 96.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 98.9 Ų | 98.9 | 65% | 0.652 | 49% | 0.487 | S | S | * | . | trans | -73.1 | -35.1 | -169.8 | -55 | -29.8 | 0 | 0 | 0 | 112.3 | ||||
| 415 | T | 97.3 | Very high | 96.9 | Very high | 71 Ų | 71 | 93.5 Ų | 93.5 | 44% | 0.436 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -90.9 | 144.7 | -177.8 | 74 | 0 | 0 | 0 | 0 | 112.1 | R417 I418 R419 | T415-R417 PolarHBondContact O-N 3.46Å; T415-I418 PolarHBondContact O-N 2.88Å; T415-I418 WeakPolarHBondContact OG1-CD1 3.23Å; T415-I418 VanDerWaalsContact OG1-CG1 3.23Å; T415-I418 WeakPolarHBondContact OG1-CG1 3.47Å; T415-I418 PolarHBondContact OG1-N 3.24Å; T415-R419 PolarHBondContact O-N 3.42Å |
| 416 | L | 97.3 | Very high | 96.9 | Very high | 122 Ų | 122 | 93.7 Ų | 93.7 | 64% | 0.639 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.7 | -36.6 | 175.8 | -132.5 | 152 | 0 | 0 | 0 | 111.5 | I418 R419 S420 | L416-I418 PolarHBondContact O-N 3.38Å; L416-R419 PolarHBondContact O-N 2.67Å; L416-S420 WeakPolarHBondContact O-CB 3.43Å; L416-S420 PolarHBondContact O-N 3.05Å; L416-S420 PolarHBondContact O-OG 2.92Å; L416-S420 VanDerWaalsContact O-OG 3.1Å |
| 417 | R | 97.3 | Very high | 97 | Very high | 218 Ų | 218 | 93.7 Ų | 93.7 | 82% | 0.823 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.4 | -45.4 | 176 | -177.2 | -179.7 | 175.8 | -172.7 | -1.5 | 112.8 | T415 R421 | T415-R417 PolarHBondContact O-N 3.46Å; R417-R421 WeakPolarHBondContact O-CB 3.5Å; R417-R421 PolarHBondContact O-N 3.4Å |
| 418 | I | 97.3 | Very high | 97.1 | Very high | 39 Ų | 39 | 94.8 Ų | 94.8 | 20% | 0.2 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66 | -43.6 | 178.7 | -67.4 | 167.4 | 0 | 0 | 0 | 109.9 | P410 M413 T415 L416 R421 R422 | P410-I418 HydrophobicContact CG-CD1 4.19Å; M413-I418 HydrophobicContact CG-CG2 4.42Å; T415-I418 PolarHBondContact O-N 2.88Å; T415-I418 WeakPolarHBondContact OG1-CD1 3.23Å; T415-I418 VanDerWaalsContact OG1-CG1 3.23Å; T415-I418 WeakPolarHBondContact OG1-CG1 3.47Å; T415-I418 PolarHBondContact OG1-N 3.24Å; L416-I418 PolarHBondContact O-N 3.38Å; I418-R421 PolarHBondContact O-N 2.98Å; I418-R422 WeakPolarHBondContact O-CB 3.47Å; I418-R422 PolarHBondContact O-N 3.13Å |
| 419 | R | 97.5 | Very high | 97.2 | Very high | 128 Ų | 128 | 88.5 Ų | 88.5 | 48% | 0.483 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 177 | -70.8 | -173.2 | -70.1 | -143.8 | -1.3 | 112.5 | M413 T415 L416 R422 A423 | M413-R419 HydrophobicContact CB-CG 3.95Å; M413-R419 WeakPolarHBondContact O-CG 3.33Å; T415-R419 PolarHBondContact O-N 3.42Å; L416-R419 PolarHBondContact O-N 2.67Å; R419-R422 PolarHBondContact O-N 3.49Å; R419-A423 WeakPolarHBondContact O-CB 3.17Å; R419-A423 PolarHBondContact O-N 3.46Å |
| 420 | S | 97.5 | Very high | 97.3 | Very high | 67 Ų | 67 | 87.6 Ų | 87.6 | 47% | 0.469 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 177.1 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | L416 A423 E424 | L416-S420 WeakPolarHBondContact O-CB 3.43Å; L416-S420 PolarHBondContact O-N 3.05Å; L416-S420 PolarHBondContact O-OG 2.92Å; L416-S420 VanDerWaalsContact O-OG 3.1Å; S420-A423 PolarHBondContact O-N 3.33Å; S420-E424 WeakPolarHBondContact O-CB 3.41Å; S420-E424 PolarHBondContact O-N 2.97Å |
| 421 | R | 97.6 | Very high | 97.3 | Very high | 82 Ų | 82 | 89.8 Ų | 89.8 | 31% | 0.309 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 178.1 | -178.7 | 55.7 | 178.4 | -179 | 2.2 | 112 | E405 L409 R417 I418 E424 I425 | E405-R421 IonicContact OE2-CZ 3.36Å; E405-R421 IonicContact OE2-NH2 3.76Å; E405-R421 PolarHBondContact OE2-NH2 3.26Å; L409-R421 HydrophobicContact CD2-CG 4.09Å; R417-R421 WeakPolarHBondContact O-CB 3.5Å; R417-R421 PolarHBondContact O-N 3.4Å; I418-R421 PolarHBondContact O-N 2.98Å; R421-E424 WeakPolarHBondContact CD-OE2 3.37Å; R421-E424 IonicContact CZ-OE2 3.79Å; R421-E424 VanDerWaalsContact NH1-CD 3.34Å; R421-E424 IonicContact NH1-OE1 3.98Å; R421-E424 PolarHBondContact NH1-OE1 3.02Å; R421-E424 IonicContact NH1-OE2 2.67Å; R421-E424 PolarHBondContact NH1-OE2 3.41Å; R421-E424 PolarHBondContact O-N 2.9Å; R421-I425 HydrophobicContact CG-CD1 4.07Å; R421-I425 WeakPolarHBondContact O-CG1 3.43Å; R421-I425 PolarHBondContact O-N 3.38Å; R421-I425 VanDerWaalsContact O-N 3.08Å |
| 422 | R | 97.5 | Very high | 97.5 | Very high | 78 Ų | 78 | 84.2 Ų | 84.2 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.1 | -50.2 | 175.7 | -175 | -179.3 | 171.6 | 145.6 | 4.8 | 111.4 | F406 L409 M413 I418 R419 E424 I425 E426 | F406-R422 HydrophobicContact CE2-CG 3.87Å; L409-R422 HydrophobicContact CD1-CB 3.87Å; L409-R422 HydrophobicContact CD1-CG 4.08Å; M413-R422 WeakPolarHBondContact SD-CD 3.32Å; M413-R422 PolarHBondContact SD-NH1 3.47Å; I418-R422 WeakPolarHBondContact O-CB 3.47Å; I418-R422 PolarHBondContact O-N 3.13Å; R419-R422 PolarHBondContact O-N 3.49Å; R422-E424 VanDerWaalsContact C-N 3.3Å; R422-E424 PolarHBondContact O-N 2.85Å; R422-I425 PolarHBondContact O-N 3.15Å; R422-E426 HydrophobicContact CG-CG 4.4Å; R422-E426 IonicContact CZ-OE1 3.51Å; R422-E426 IonicContact NE-OE1 2.77Å; R422-E426 PolarHBondContact NE-OE1 2.67Å; R422-E426 IonicContact NH2-OE1 3.32Å; R422-E426 PolarHBondContact NH2-OE1 3.3Å; R422-E426 WeakPolarHBondContact O-CG 3.41Å; R422-E426 PolarHBondContact O-N 2.82Å |
| 423 | A | 97.5 | Very high | 97.6 | Very high | 54 Ų | 54 | 80.3 Ų | 80.3 | 45% | 0.446 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R419 S420 S427 | R419-A423 WeakPolarHBondContact O-CB 3.17Å; R419-A423 PolarHBondContact O-N 3.46Å; S420-A423 PolarHBondContact O-N 3.33Å; A423-S427 WeakPolarHBondContact O-CB 3.41Å; A423-S427 PolarHBondContact O-N 2.92Å |
| 424 | E | 97.8 | Very high | 97.7 | Very high | 72 Ų | 72 | 82.6 Ų | 82.6 | 34% | 0.336 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 174.4 | -175.1 | -168.7 | -179 | 0 | 0 | 111.8 | S420 R421 R422 R428 | S420-E424 WeakPolarHBondContact O-CB 3.41Å; S420-E424 PolarHBondContact O-N 2.97Å; R421-E424 WeakPolarHBondContact CD-OE2 3.37Å; R421-E424 IonicContact CZ-OE2 3.79Å; R421-E424 VanDerWaalsContact NH1-CD 3.34Å; R421-E424 IonicContact NH1-OE1 3.98Å; R421-E424 PolarHBondContact NH1-OE1 3.02Å; R421-E424 IonicContact NH1-OE2 2.67Å; R421-E424 PolarHBondContact NH1-OE2 3.41Å; R421-E424 PolarHBondContact O-N 2.9Å; R422-E424 VanDerWaalsContact C-N 3.3Å; R422-E424 PolarHBondContact O-N 2.85Å; E424-R428 WeakPolarHBondContact O-CG 3.47Å; E424-R428 PolarHBondContact O-N 3.01Å; E424-R428 VanDerWaalsContact O-N 3.13Å; E424-R428 IonicContact OE1-CZ 3.98Å; E424-R428 IonicContact OE1-NE 2.82Å; E424-R428 IonicContact OE1-NH1 3.83Å; E424-R428 IonicContact OE1-NH2 3.8Å; E424-R428 PolarHBondContact OE1-NH2 2.93Å |
| 425 | I | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 178.9 | -66.6 | 166 | 0 | 0 | 0 | 110.8 | L402 E405 F406 L409 R421 R422 S427 R428 L429 | L402-I425 HydrophobicContact CB-CG2 4.42Å; E405-I425 HydrophobicContact CB-CD1 4.2Å; F406-I425 HydrophobicContact CB-CG2 3.86Å; F406-I425 HydrophobicContact CD2-CG2 4.06Å; F406-I425 HydrophobicContact CG-CG2 4.42Å; L409-I425 HydrophobicContact CD1-CD1 4.09Å; L409-I425 HydrophobicContact CG-CD1 4.5Å; R421-I425 HydrophobicContact CG-CD1 4.07Å; R421-I425 WeakPolarHBondContact O-CG1 3.43Å; R421-I425 PolarHBondContact O-N 3.38Å; R421-I425 VanDerWaalsContact O-N 3.08Å; R422-I425 PolarHBondContact O-N 3.15Å; I425-S427 PolarHBondContact O-N 3.39Å; I425-R428 PolarHBondContact O-N 3.35Å; I425-L429 HydrophobicContact CG2-CD1 3.89Å; I425-L429 HydrophobicContact CG2-CG 4.25Å; I425-L429 WeakPolarHBondContact O-CB 3.37Å; I425-L429 WeakPolarHBondContact O-CG 3.49Å; I425-L429 PolarHBondContact O-N 2.9Å |
| 426 | E | 97.7 | Very high | 97.8 | Very high | 84 Ų | 84 | 76 Ų | 76 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 176.7 | -73.5 | 172.8 | 172.8 | 0 | 0 | 111.8 | F406 R422 R428 L429 G430 | F406-E426 HydrophobicContact CD2-CG 4.3Å; F406-E426 HydrophobicContact CE2-CG 3.63Å; F406-E426 WeakPolarHBondContact CE2-OE1 3.45Å; F406-E426 HydrophobicContact CZ-CG 4.38Å; R422-E426 HydrophobicContact CG-CG 4.4Å; R422-E426 IonicContact CZ-OE1 3.51Å; R422-E426 IonicContact NE-OE1 2.77Å; R422-E426 PolarHBondContact NE-OE1 2.67Å; R422-E426 IonicContact NH2-OE1 3.32Å; R422-E426 PolarHBondContact NH2-OE1 3.3Å; R422-E426 WeakPolarHBondContact O-CG 3.41Å; R422-E426 PolarHBondContact O-N 2.82Å; E426-R428 PolarHBondContact O-N 3.44Å; E426-L429 PolarHBondContact O-N 3.1Å; E426-G430 PolarHBondContact O-N 2.87Å |
| 427 | S | 98.2 | Very high | 97.8 | Very high | 68 Ų | 68 | 76 Ų | 76 | 48% | 0.476 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | A423 I425 G430 E431 | A423-S427 WeakPolarHBondContact O-CB 3.41Å; A423-S427 PolarHBondContact O-N 2.92Å; I425-S427 PolarHBondContact O-N 3.39Å; S427-G430 PolarHBondContact O-N 2.85Å; S427-E431 WeakPolarHBondContact O-CG 3.42Å; S427-E431 PolarHBondContact O-N 3.38Å |
| 428 | R | 98.1 | Very high | 97.8 | Very high | 106 Ų | 106 | 69.7 Ų | 69.7 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 179.9 | -72.1 | -177.5 | -177.9 | 166.9 | 9.3 | 112.9 | L402 E424 I425 E426 G430 E431 L432 | L402-R428 HydrophobicContact CD1-CB 3.61Å; E424-R428 WeakPolarHBondContact O-CG 3.47Å; E424-R428 PolarHBondContact O-N 3.01Å; E424-R428 VanDerWaalsContact O-N 3.13Å; E424-R428 IonicContact OE1-CZ 3.98Å; E424-R428 IonicContact OE1-NE 2.82Å; E424-R428 IonicContact OE1-NH1 3.83Å; E424-R428 IonicContact OE1-NH2 3.8Å; E424-R428 PolarHBondContact OE1-NH2 2.93Å; I425-R428 PolarHBondContact O-N 3.35Å; E426-R428 PolarHBondContact O-N 3.44Å; R428-G430 VanDerWaalsContact C-N 3.33Å; R428-E431 PolarHBondContact O-N 2.9Å; R428-L432 WeakPolarHBondContact O-CG 3.5Å; R428-L432 PolarHBondContact O-N 3.37Å |
| 429 | L | 98.3 | Very high | 97.8 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60 | -45.8 | 173.1 | -78.7 | 170.7 | 0 | 0 | 0 | 110.3 | L402 F406 I425 E426 E431 L432 E433 | L402-L429 HydrophobicContact CB-CD2 3.84Å; L402-L429 HydrophobicContact CB-CG 4.21Å; F406-L429 HydrophobicContact CB-CD1 4.35Å; F406-L429 HydrophobicContact CG-CD1 4.47Å; I425-L429 HydrophobicContact CG2-CD1 3.89Å; I425-L429 HydrophobicContact CG2-CG 4.25Å; I425-L429 WeakPolarHBondContact O-CB 3.37Å; I425-L429 WeakPolarHBondContact O-CG 3.49Å; I425-L429 PolarHBondContact O-N 2.9Å; E426-L429 PolarHBondContact O-N 3.1Å; L429-E431 VanDerWaalsContact C-N 3.34Å; L429-E431 PolarHBondContact O-N 3.42Å; L429-L432 PolarHBondContact O-N 2.95Å; L429-E433 WeakPolarHBondContact O-CB 3.44Å; L429-E433 WeakPolarHBondContact O-CG 3.33Å; L429-E433 PolarHBondContact O-N 3.41Å |
| 430 | G | 98 | Very high | 97.8 | Very high | 21 Ų | 21 | 66.7 Ų | 66.7 | 22% | 0.216 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.1 | -36.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | E426 S427 R428 Q434 | E426-G430 PolarHBondContact O-N 2.87Å; S427-G430 PolarHBondContact O-N 2.85Å; R428-G430 VanDerWaalsContact C-N 3.33Å; G430-Q434 WeakPolarHBondContact O-CG 3.47Å; G430-Q434 PolarHBondContact O-N 3.48Å; G430-Q434 PolarHBondContact O-NE2 3.3Å |
| 431 | E | 98.1 | Very high | 97.7 | Very high | 119 Ų | 119 | 68.4 Ų | 68.4 | 56% | 0.556 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.2 | -43.6 | 172.9 | -72.5 | 169.9 | -155.5 | 0 | 0 | 112.1 | S427 R428 L429 Q434 A435 | S427-E431 WeakPolarHBondContact O-CG 3.42Å; S427-E431 PolarHBondContact O-N 3.38Å; R428-E431 PolarHBondContact O-N 2.9Å; L429-E431 VanDerWaalsContact C-N 3.34Å; L429-E431 PolarHBondContact O-N 3.42Å; E431-Q434 PolarHBondContact O-N 3.08Å; E431-A435 WeakPolarHBondContact O-CB 3.37Å; E431-A435 PolarHBondContact O-N 3.45Å |
| 432 | L | 98.3 | Very high | 97.5 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 178 | -72.8 | 178.2 | 0 | 0 | 0 | 112.2 | L395 A398 H399 L402 R428 L429 Q434 A435 I436 | L395-L432 HydrophobicContact CD2-CD2 3.68Å; A398-L432 HydrophobicContact CB-CD1 3.98Å; A398-L432 HydrophobicContact CB-CD2 4.28Å; H399-L432 HydrophobicContact CB-CD1 4.19Å; L402-L432 HydrophobicContact CD1-CD1 3.77Å; R428-L432 WeakPolarHBondContact O-CG 3.5Å; R428-L432 PolarHBondContact O-N 3.37Å; L429-L432 PolarHBondContact O-N 2.95Å; L432-Q434 VanDerWaalsContact C-N 3.34Å; L432-Q434 PolarHBondContact O-N 3.01Å; L432-A435 PolarHBondContact O-N 3.26Å; L432-I436 WeakPolarHBondContact O-CB 3.23Å; L432-I436 VanDerWaalsContact O-CG1 3.23Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 3.07Å |
| 433 | E | 98.2 | Very high | 97.3 | Very high | 110 Ų | 110 | 69.9 Ų | 69.9 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 175.8 | -75.5 | 174.1 | 174.5 | 0 | 0 | 111.2 | H399 L429 A435 I436 E437 | H399-E433 IonicContact NE2-OE1 2.95Å; L429-E433 WeakPolarHBondContact O-CB 3.44Å; L429-E433 WeakPolarHBondContact O-CG 3.33Å; L429-E433 PolarHBondContact O-N 3.41Å; E433-A435 PolarHBondContact O-N 3.5Å; E433-I436 PolarHBondContact O-N 2.67Å; E433-E437 WeakPolarHBondContact O-CB 3.37Å; E433-E437 PolarHBondContact O-N 3.2Å |
| 434 | Q | 98.2 | Very high | 97.2 | Very high | 126 Ų | 126 | 67.8 Ų | 67.8 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | 174.5 | -72.3 | 172.6 | 47.4 | 0 | 0 | 111.8 | G430 E431 L432 E437 I438 | G430-Q434 WeakPolarHBondContact O-CG 3.47Å; G430-Q434 PolarHBondContact O-N 3.48Å; G430-Q434 PolarHBondContact O-NE2 3.3Å; E431-Q434 PolarHBondContact O-N 3.08Å; L432-Q434 VanDerWaalsContact C-N 3.34Å; L432-Q434 PolarHBondContact O-N 3.01Å; Q434-E437 PolarHBondContact O-N 3.32Å; Q434-I438 VanDerWaalsContact O-CG1 3.29Å; Q434-I438 WeakPolarHBondContact O-CG1 3.46Å; Q434-I438 PolarHBondContact O-N 2.77Å |
| 435 | A | 97.7 | Very high | 97 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L395 E431 L432 E433 E437 I438 F439 | L395-A435 HydrophobicContact CD1-CB 3.84Å; L395-A435 HydrophobicContact CD2-CB 4.01Å; E431-A435 WeakPolarHBondContact O-CB 3.37Å; E431-A435 PolarHBondContact O-N 3.45Å; L432-A435 PolarHBondContact O-N 3.26Å; E433-A435 PolarHBondContact O-N 3.5Å; A435-E437 VanDerWaalsContact C-N 3.31Å; A435-E437 PolarHBondContact O-N 3.09Å; A435-I438 WeakPolarHBondContact O-CB 3.36Å; A435-I438 PolarHBondContact O-N 3.34Å; A435-I438 VanDerWaalsContact O-N 3.16Å; A435-F439 WeakPolarHBondContact O-CD2 3.23Å; A435-F439 PolarHBondContact O-N 3.2Å |
| 436 | I | 98.1 | Very high | 96.8 | Very high | 32 Ų | 32 | 69.8 Ų | 69.8 | 16% | 0.164 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 176 | -70.5 | 165.3 | 0 | 0 | 0 | 110 | L392 L395 H399 L432 E433 I438 F439 S440 | L392-I436 HydrophobicContact CD1-CG2 4.1Å; L395-I436 HydrophobicContact CB-CD1 4.47Å; L395-I436 HydrophobicContact CB-CG1 3.79Å; H399-I436 HydrophobicContact CB-CD1 3.83Å; L432-I436 WeakPolarHBondContact O-CB 3.23Å; L432-I436 VanDerWaalsContact O-CG1 3.23Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 3.07Å; E433-I436 PolarHBondContact O-N 2.67Å; I436-I438 VanDerWaalsContact C-N 3.3Å; I436-I438 PolarHBondContact O-N 3.29Å; I436-F439 PolarHBondContact O-N 3.36Å; I436-S440 WeakPolarHBondContact O-CB 3.35Å; I436-S440 PolarHBondContact O-N 3.19Å; I436-S440 PolarHBondContact O-OG 3.25Å |
| 437 | E | 97.8 | Very high | 96.7 | Very high | 122 Ų | 122 | 72.9 Ų | 72.9 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.6 | -44.3 | 175.8 | -169.1 | -168.8 | 156.2 | 0 | 0 | 111.2 | E433 Q434 A435 S440 | E433-E437 WeakPolarHBondContact O-CB 3.37Å; E433-E437 PolarHBondContact O-N 3.2Å; Q434-E437 PolarHBondContact O-N 3.32Å; A435-E437 VanDerWaalsContact C-N 3.31Å; A435-E437 PolarHBondContact O-N 3.09Å; E437-S440 PolarHBondContact O-OG 3.1Å |
| 438 | I | 96.5 | Very high | 96.3 | Very high | 86 Ų | 86 | 73.2 Ų | 73.2 | 44% | 0.441 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -50 | 177.2 | -66.5 | 163.1 | 0 | 0 | 0 | 111 | Q434 A435 I436 S440 K441 V444 | Q434-I438 VanDerWaalsContact O-CG1 3.29Å; Q434-I438 WeakPolarHBondContact O-CG1 3.46Å; Q434-I438 PolarHBondContact O-N 2.77Å; A435-I438 WeakPolarHBondContact O-CB 3.36Å; A435-I438 PolarHBondContact O-N 3.34Å; A435-I438 VanDerWaalsContact O-N 3.16Å; I436-I438 VanDerWaalsContact C-N 3.3Å; I436-I438 PolarHBondContact O-N 3.29Å; I438-S440 PolarHBondContact O-N 3.22Å; I438-K441 WeakPolarHBondContact O-CB 3.39Å; I438-K441 PolarHBondContact O-N 3.31Å; I438-V444 HydrophobicContact CG2-CG1 4.26Å; I438-V444 WeakPolarHBondContact O-CG2 3.35Å |
| 439 | F | 97.2 | Very high | 95.7 | Very high | 38 Ų | 38 | 79.7 Ų | 79.7 | 17% | 0.167 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -78.3 | -16.9 | -175.2 | -72.8 | -70.9 | 0 | 0 | 0 | 114.3 | M383 R388 T391 L392 L395 A435 I436 K441 V444 | M383-F439 HydrophobicContact CE-CD1 4.37Å; M383-F439 HydrophobicContact CE-CE1 3.46Å; M383-F439 VanDerWaalsContact CE-CE1 3.46Å; M383-F439 HydrophobicContact CE-CZ 4.16Å; M383-F439 HydrophobicContact SD-CD1 4.03Å; M383-F439 HydrophobicContact SD-CE1 3.64Å; R388-F439 HydrophobicContact CG-CD1 4.26Å; R388-F439 PolarHBondContact NH1-O 3Å; T391-F439 HydrophobicContact CG2-CD1 4.2Å; T391-F439 HydrophobicContact CG2-CD2 4.13Å; T391-F439 HydrophobicContact CG2-CE1 4.03Å; T391-F439 HydrophobicContact CG2-CE2 3.94Å; T391-F439 HydrophobicContact CG2-CG 4.26Å; T391-F439 HydrophobicContact CG2-CZ 3.9Å; L392-F439 HydrophobicContact CB-CB 4.36Å; L392-F439 HydrophobicContact CD1-CB 4.14Å; L395-F439 HydrophobicContact CD1-CB 4.38Å; L395-F439 HydrophobicContact CD1-CD2 3.35Å; L395-F439 HydrophobicContact CD1-CE2 3.96Å; L395-F439 HydrophobicContact CD1-CG 4.14Å; A435-F439 WeakPolarHBondContact O-CD2 3.23Å; A435-F439 PolarHBondContact O-N 3.2Å; I436-F439 PolarHBondContact O-N 3.36Å; F439-K441 PolarHBondContact O-N 3.42Å; F439-V444 HydrophobicContact CD1-CG1 4.07Å; F439-V444 HydrophobicContact CD1-CG2 4.25Å; F439-V444 HydrophobicContact CE1-CG1 3.87Å |
| 440 | S | 97 | Very high | 95.5 | Very high | 66 Ų | 66 | 82.6 Ų | 82.6 | 46% | 0.462 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.1 | -28.1 | 172.6 | 73 | 0 | 0 | 0 | 0 | 112.2 | R388 I436 E437 I438 | R388-S440 PolarHBondContact NH1-O 3.32Å; I436-S440 WeakPolarHBondContact O-CB 3.35Å; I436-S440 PolarHBondContact O-N 3.19Å; I436-S440 PolarHBondContact O-OG 3.25Å; E437-S440 PolarHBondContact O-OG 3.1Å; I438-S440 PolarHBondContact O-N 3.22Å |
| 441 | K | 95.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 85.8 Ų | 85.8 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -62.9 | 143 | 178.8 | -64 | 174.5 | -175.6 | 173.9 | 0 | 111 | R388 I438 F439 K443 | R388-K441 VanDerWaalsContact CD-O 3.27Å; R388-K441 WeakPolarHBondContact CD-O 3.36Å; R388-K441 PolarHBondContact NH1-O 3.46Å; R388-K441 VanDerWaalsContact NH1-O 3.17Å; I438-K441 WeakPolarHBondContact O-CB 3.39Å; I438-K441 PolarHBondContact O-N 3.31Å; F439-K441 PolarHBondContact O-N 3.42Å; K441-K443 VanDerWaalsContact C-N 3.26Å; K441-K443 PolarHBondContact O-N 3.28Å |
| 442 | P | 94.4 | Very high | 95.3 | Very high | 106 Ų | 106 | 83.9 Ų | 83.9 | 69% | 0.688 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -67.4 | -26.6 | -177.7 | 26.4 | -34.8 | 0 | 0 | 0 | 113.2 | ||
| 443 | K | 92.5 | Very high | 95.1 | Very high | 84 Ų | 84 | 87.4 Ų | 87.4 | 37% | 0.365 | 45% | 0.449 | S | S | . | . | trans | -120 | 121.9 | 176.7 | -60.3 | -174.5 | -178.3 | -171.3 | 0 | 109.1 | D373 K441 | D373-K443 IonicContact OD1-NZ 3.19Å; D373-K443 PolarHBondContact OD1-NZ 2.71Å; D373-K443 IonicContact OD2-NZ 3.52Å; K441-K443 VanDerWaalsContact C-N 3.26Å; K441-K443 PolarHBondContact O-N 3.28Å | ||
| 444 | V | 95 | Very high | 94.9 | Very high | 11 Ų | 11 | 86 Ų | 86 | 7% | 0.067 | 45% | 0.445 | C | S | . | . | trans | -124.7 | 134.1 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | M383 R388 I438 F439 | M383-V444 HydrophobicContact CB-CB 4.31Å; M383-V444 PolarHBondContact N-O 3.04Å; R388-V444 HydrophobicContact CG-CG2 4.02Å; I438-V444 HydrophobicContact CG2-CG1 4.26Å; I438-V444 WeakPolarHBondContact O-CG2 3.35Å; F439-V444 HydrophobicContact CD1-CG1 4.07Å; F439-V444 HydrophobicContact CD1-CG2 4.25Å; F439-V444 HydrophobicContact CE1-CG1 3.87Å | ||
| 445 | F | 94.6 | Very high | 94.7 | Very high | 47 Ų | 47 | 83.3 Ų | 83.3 | 21% | 0.206 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 133 | 178.4 | -59.6 | -73.3 | 0 | 0 | 0 | 109.5 | D373 D375 Q376 H380 Q381 R382 | D373-F445 HydrophobicContact CB-CE1 4.43Å; D373-F445 HydrophobicContact CB-CZ 4.22Å; D375-F445 HydrophobicContact CB-CE2 4.37Å; Q376-F445 HydrophobicContact CB-CD1 4.15Å; Q376-F445 HydrophobicContact CB-CE1 3.64Å; Q376-F445 HydrophobicContact CB-CZ 3.99Å; Q376-F445 HydrophobicContact CG-CD1 3.8Å; Q376-F445 HydrophobicContact CG-CE1 3.76Å; H380-F445 HydrophobicContact CB-CB 4.05Å; Q381-F445 CarbonylContact O-C 3.48Å; Q381-F445 WeakPolarHBondContact O-CA 3.17Å; R382-F445 HydrophobicContact CB-CD1 3.96Å; R382-F445 HydrophobicContact CB-CE1 3.9Å; R382-F445 HydrophobicContact CG-CE1 4.35Å |
| 446 | I | 94.4 | Very high | 94.5 | Very high | 67 Ų | 67 | 87.7 Ų | 87.7 | 34% | 0.344 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.8 | -179.3 | -39.8 | 166.7 | 0 | 0 | 0 | 108.1 | H380 Q381 M383 | H380-I446 CarbonylContact C-O 3.44Å; H380-I446 VanDerWaalsContact CA-O 3.25Å; H380-I446 WeakPolarHBondContact CA-O 3.41Å; H380-I446 WeakPolarHBondContact CB-O 3.47Å; Q381-I446 PolarHBondContact N-O 3.08Å; Q381-I446 PolarHBondContact O-N 3.38Å; M383-I446 HydrophobicContact CB-CD1 3.75Å; M383-I446 HydrophobicContact CB-CG1 4.02Å; M383-I446 HydrophobicContact CE-CD1 3.16Å; M383-I446 HydrophobicContact CE-CG1 3.95Å; M383-I446 HydrophobicContact CG-CD1 3.75Å; M383-I446 HydrophobicContact CG-CG1 4.48Å; M383-I446 HydrophobicContact SD-CD1 4.1Å |
| 447 | K | 94.6 | Very high | 94.2 | Very high | 150 Ų | 150 | 92 Ų | 92 | 65% | 0.652 | 48% | 0.476 | S | S | * | . | trans | -79 | 121.2 | 167 | -170.5 | -179.2 | 177 | -172.3 | 0 | 108.7 | ||||
| 448 | P | 89.6 | Confident | 93.9 | Very high | 74 Ų | 74 | 89.5 Ų | 89.5 | 48% | 0.481 | 47% | 0.468 | S | S | . | . | trans | -64.5 | 147 | 172.5 | 29.4 | -32.3 | 0 | 0 | 0 | 110 | G379 | G379-P448 WeakPolarHBondContact O-CD 3.39Š| ||
| 449 | D | 85.5 | Confident | 93.6 | Very high | 242 Ų | 242 | 89.8 Ų | 89.8 | 100% | 1.294 | 47% | 0.47 | S | S | * | . | trans | -62.4 | 0 | -178.2 | -69.9 | -30.5 | 0 | 0 | 0 | 114.4 |
Retrieved 449 of 449 residues in 132.1 ms
(Link to these results)