| 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 | 42.7 | Very low | 30.9 | Very low | 250 Ų | 250 | 161.9 Ų | 161.9 | 100% | 1.232 | 86% | 0.862 | S | S | * | * | 0 | 108.9 | 0 | -78.1 | 162.9 | 162.3 | 0 | 0 | 108.4 | |||||
| 2 | R | 29.8 | Very low | 30.5 | Very low | 241 Ų | 241 | 156.8 Ų | 156.8 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | -131.9 | 137.1 | 174.9 | -106.9 | -175.7 | 179.8 | 177.2 | 0.1 | 106.8 | ||||
| 3 | P | 34.6 | Very low | 30.3 | Very low | 131 Ų | 131 | 157.5 Ų | 157.5 | 85% | 0.851 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 142.3 | -175.2 | 31.3 | -31.4 | 0 | 0 | 0 | 111.1 | ||
| 4 | R | 34.7 | Very low | 30.1 | Very low | 246 Ų | 246 | 156.9 Ų | 156.9 | 93% | 0.928 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 129.7 | 175.7 | -73.8 | 175.3 | 168.9 | 171.2 | -4.6 | 109.8 | ||
| 5 | G | 31.6 | Very low | 29.8 | Very low | 77 Ų | 77 | 151.1 Ų | 151.1 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 136.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 6 | L | 32.6 | Very low | 29.6 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 146.1 | 167.7 | -83.2 | 107 | 0 | 0 | 0 | 110.7 | ||
| 7 | P | 31.4 | Very low | 29.3 | Very low | 107 Ų | 107 | 155.1 Ų | 155.1 | 70% | 0.695 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -79 | 153.3 | 167.9 | 33.7 | -31 | 0 | 0 | 0 | 110.7 | ||
| 8 | P | 29.3 | Very low | 29.1 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 83% | 0.831 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 128.7 | 177.6 | 29.6 | -30.7 | 0 | 0 | 0 | 110.7 | L10 | P8-L10 PolarHBondContact O-N 2.78Š|
| 9 | L | 23.8 | Very low | 28.9 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -65 | 122.3 | 170.3 | -109.8 | 93.5 | 0 | 0 | 0 | 109.7 | ||
| 10 | L | 24.2 | Very low | 28.7 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | trans | -88.2 | 107.3 | 168.2 | -151.6 | 113.6 | 0 | 0 | 0 | 107.6 | P8 V12 | P8-L10 PolarHBondContact O-N 2.78Å; L10-V12 HydrophobicContact CD2-CG2 3.9Å; L10-V12 PolarHBondContact O-N 3.27Å | ||
| 11 | V | 25.7 | Very low | 28.5 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 70% | 0.703 | 83% | 0.829 | S | S | * | * | trans | -83.7 | 106 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 12 | V | 26 | Very low | 27.7 | Very low | 101 Ų | 101 | 140 Ų | 140 | 61% | 0.612 | 81% | 0.809 | S | S | * | * | trans | -88.7 | 111.8 | 169.7 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | L10 L14 | L10-V12 HydrophobicContact CD2-CG2 3.9Å; L10-V12 PolarHBondContact O-N 3.27Å; V12-L14 HydrophobicContact CG1-CD1 4.45Å; V12-L14 PolarHBondContact O-N 3.24Å | ||
| 13 | L | 27.1 | Very low | 27.4 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 104.1 | 170.3 | -83.8 | 158 | 0 | 0 | 0 | 108.9 | G15 | L13-G15 PolarHBondContact O-N 3.32Š| ||
| 14 | L | 27.6 | Very low | 27 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -70.3 | 116.7 | 165.9 | -84.9 | 99.3 | 0 | 0 | 0 | 109.3 | V12 C16 | V12-L14 HydrophobicContact CG1-CD1 4.45Å; V12-L14 PolarHBondContact O-N 3.24Å; L14-C16 PolarHBondContact O-N 3.4Å | ||
| 15 | G | 26.6 | Very low | 26.5 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -76.9 | 105.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L13 W17 | L13-G15 PolarHBondContact O-N 3.32Å; G15-W17 PolarHBondContact O-N 3.41Å | ||
| 16 | C | 25.6 | Very low | 26 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -72.7 | 119.5 | 166.9 | -75.2 | 0 | 0 | 0 | 0 | 109.8 | L14 | L14-C16 PolarHBondContact O-N 3.4Š| ||
| 17 | W | 25.2 | Very low | 25.6 | Very low | 245 Ų | 245 | 132.7 Ų | 132.7 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | trans | -86.2 | 114.1 | 167.3 | -72.1 | 13.6 | 0 | 0 | 0 | 108.6 | G15 | G15-W17 PolarHBondContact O-N 3.41Š| ||
| 18 | A | 25.2 | Very low | 25.3 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -98.7 | 116.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 19 | S | 26.1 | Very low | 25 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -76.6 | 123.5 | 174.3 | -45.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 20 | V | 23.6 | Very low | 25 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -99.3 | 112 | 168.6 | 175.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 21 | S | 25.8 | Very low | 24.9 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -82.9 | 120.3 | 171.2 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 22 | A | 25.5 | Very low | 24.9 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -96.7 | 108 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 23 | Q | 23.5 | Very low | 24.9 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 84% | 0.841 | 83% | 0.825 | S | S | * | * | trans | -79.7 | 121 | 164 | -83.5 | 169.6 | -68.5 | 0 | 0 | 108.4 | ||||
| 24 | T | 25.4 | Very low | 24.7 | Very low | 140 Ų | 140 | 131 Ų | 131 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -108.1 | 100.4 | 161.9 | 24.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 25 | D | 24.5 | Very low | 24.6 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 81% | 0.807 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 127.2 | 166 | -94.4 | -34.9 | 0 | 0 | 0 | 109.4 | ||
| 26 | A | 22.3 | Very low | 24.5 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 118.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 27 | T | 24 | Very low | 24.5 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 134 | 169.3 | -38.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 28 | P | 23.8 | Very low | 24.4 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 137.1 | -174.8 | 32 | -32.5 | 0 | 0 | 0 | 111.8 | ||
| 29 | A | 23.6 | Very low | 24.5 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 136.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 30 | V | 23.1 | Very low | 24.4 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 144.8 | -167.8 | 166.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 31 | T | 22.5 | Very low | 24.5 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 137.9 | 168.8 | 40.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 32 | T | 26.5 | Very low | 24.6 | Very low | 145 Ų | 145 | 134 Ų | 134 | 89% | 0.89 | 83% | 0.829 | S | S | * | * | trans | -133.9 | 136.9 | 150.4 | 38.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 33 | E | 25.3 | Very low | 24.5 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -70.6 | 152.1 | -165.9 | -62.8 | -173.5 | 134.8 | 0 | 0 | 114.9 | ||||
| 34 | G | 23.8 | Very low | 24.6 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -85.7 | 164.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 35 | L | 25.2 | Very low | 24.8 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | trans | -116.9 | 117.2 | 173.5 | -94.1 | 158.5 | 0 | 0 | 0 | 110.8 | ||||
| 36 | N | 23.8 | Very low | 24.8 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 72% | 0.717 | 83% | 0.83 | S | S | * | * | trans | 61.9 | 99 | 140.7 | -69.5 | -10.4 | 0 | 0 | 0 | 122.5 | ||||
| 37 | S | 25.5 | Very low | 24.8 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | 48.3 | 120.2 | 106.7 | -49.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 38 | T | 24.2 | Very low | 25 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 95% | 0.945 | 83% | 0.825 | S | S | * | * | -149.9 | 135.4 | 126.7 | -17.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 39 | E | 26.8 | Very low | 25.4 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -96.4 | 144.2 | -170.3 | 174.7 | 179.8 | 177.9 | 0 | 0 | 111.4 | ||||
| 40 | A | 23.4 | Very low | 25.6 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -164.7 | 103.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 41 | A | 24.8 | Very low | 25.8 | Very low | 100 Ų | 100 | 135 Ų | 135 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | 54.2 | 121.2 | 129.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 42 | L | 28 | Very low | 26.1 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -63.8 | 135.4 | 161.3 | -160.9 | 96.9 | 0 | 0 | 0 | 112.5 | ||||
| 43 | A | 24.7 | Very low | 26.5 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | trans | -163.6 | 110.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 44 | T | 25 | Very low | 27 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | 56.5 | 119.6 | 123.3 | -27.5 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 45 | F | 30.5 | Very low | 27.4 | Very low | 216 Ų | 216 | 135.7 Ų | 135.7 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | trans | -59.9 | 130.8 | 161.8 | -88.7 | -97.3 | 0 | 0 | 0 | 112.4 | ||||
| 46 | G | 24.4 | Very low | 27.9 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -141.5 | 133.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 47 | T | 22.3 | Very low | 28.4 | Very low | 120 Ų | 120 | 134 Ų | 134 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -91.8 | 133.8 | -173.1 | 18 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 48 | F | 28.4 | Very low | 28.8 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | 61.1 | 155 | 151.2 | -65.3 | -68.8 | 0 | 0 | 0 | 119.5 | ||||
| 49 | P | 31.6 | Very low | 29.5 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | cis | -142 | 156.7 | 26.2 | 38.8 | -17 | 0 | 0 | 0 | 119.6 | ||||
| 50 | S | 27.6 | Very low | 30 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | 53.4 | 136.3 | 137.8 | -139.7 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 51 | T | 28.3 | Very low | 30.6 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | 84.4 | 102.3 | 149.6 | 62.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 52 | R | 28.1 | Very low | 31.3 | Very low | 239 Ų | 239 | 134.4 Ų | 134.4 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -134.1 | 132.9 | 150.5 | -162.5 | 173.1 | -146.3 | -166.1 | 6 | 109 | ||||
| 53 | P | 34.5 | Very low | 31.9 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -72.5 | 159.8 | -174.4 | 27.3 | -29.8 | 0 | 0 | 0 | 112 | G55 | P53-G55 PolarHBondContact O-N 3.22Å; P53-G55 VanDerWaalsContact O-N 3.09Å | ||
| 54 | P | 35.3 | Very low | 32.8 | Very low | 135 Ų | 135 | 132 Ų | 132 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -70.1 | 108.8 | -176.6 | 25.4 | -26.5 | 0 | 0 | 0 | 109.9 | ||||
| 55 | G | 32.5 | Very low | 33.6 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 137.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P53 | P53-G55 PolarHBondContact O-N 3.22Å; P53-G55 VanDerWaalsContact O-N 3.09Å |
| 56 | T | 36.1 | Very low | 34.1 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 148.8 | 172.8 | 26.8 | 0 | 0 | 0 | 0 | 113.1 | R58 | T56-R58 PolarHBondContact O-N 3.17Š|
| 57 | P | 34 | Very low | 34.9 | Very low | 129 Ų | 129 | 129 Ų | 129 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 126.4 | 179.4 | -15.2 | 28.5 | 0 | 0 | 0 | 110 | ||
| 58 | R | 35.2 | Very low | 36 | Very low | 244 Ų | 244 | 128.7 Ų | 128.7 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 133.7 | 172 | -140.9 | 177.1 | -164.7 | -159.1 | 2.1 | 107.9 | T56 | T56-R58 PolarHBondContact O-N 3.17Š|
| 59 | A | 38.3 | Very low | 36.7 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 146.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G61 | A59-G61 PolarHBondContact O-N 3.49Š|
| 60 | P | 37.6 | Very low | 37.5 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.6 | 176.8 | -18.7 | 29.7 | 0 | 0 | 0 | 110 | ||
| 61 | G | 36.6 | Very low | 38.7 | Very low | 59 Ų | 59 | 124.3 Ų | 124.3 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60 | 157.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A59 S63 | A59-G61 PolarHBondContact O-N 3.49Å; G61-S63 PolarHBondContact O-N 3.21Å |
| 62 | P | 38.7 | Very low | 40 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 128.6 | -176.6 | 24.6 | -31.7 | 0 | 0 | 0 | 109.7 | S64 | P62-S64 PolarHBondContact O-N 3.23Š|
| 63 | S | 40.2 | Very low | 41.7 | Very low | 109 Ų | 109 | 116.8 Ų | 116.8 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 138 | 173.4 | 75.6 | 0 | 0 | 0 | 0 | 108.8 | G61 G65 | G61-S63 PolarHBondContact O-N 3.21Å; S63-G65 PolarHBondContact O-N 3.22Å |
| 64 | S | 42.9 | Very low | 43.2 | Very low | 103 Ų | 103 | 112.4 Ų | 112.4 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | trans | -44.3 | 125.5 | 161.8 | 19.1 | 0 | 0 | 0 | 0 | 108.5 | P62 | P62-S64 PolarHBondContact O-N 3.23Š| ||
| 65 | G | 41.8 | Very low | 44.6 | Very low | 56 Ų | 56 | 108.2 Ų | 108.2 | 58% | 0.577 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 165.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S63 R67 | S63-G65 PolarHBondContact O-N 3.22Å; G65-R67 PolarHBondContact O-N 3.48Å |
| 66 | P | 42.2 | Very low | 46.4 | Very low | 132 Ų | 132 | 109.5 Ų | 109.5 | 86% | 0.857 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 130.6 | 178.3 | -19.7 | 30.4 | 0 | 0 | 0 | 110.2 | ||
| 67 | R | 41.1 | Very low | 48.3 | Very low | 180 Ų | 180 | 106 Ų | 106 | 68% | 0.679 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 133.5 | 172.1 | -168 | 176.3 | -175.5 | 179.8 | 2 | 108.1 | G65 T69 | G65-R67 PolarHBondContact O-N 3.48Å; R67-T69 PolarHBondContact O-N 2.93Å |
| 68 | P | 45.7 | Very low | 50.5 | Low | 114 Ų | 114 | 101.2 Ų | 101.2 | 74% | 0.74 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 134.7 | 177.3 | 19.5 | -29.2 | 0 | 0 | 0 | 109.3 | ||
| 69 | T | 42.8 | Very low | 52.7 | Low | 122 Ų | 122 | 94.5 Ų | 94.5 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 133.6 | 177 | 41 | 0 | 0 | 0 | 0 | 109.4 | R67 V71 | R67-T69 PolarHBondContact O-N 2.93Å; T69-V71 PolarHBondContact O-N 3.07Å; T69-V71 VanDerWaalsContact O-N 3.15Å |
| 70 | P | 47.3 | Very low | 54.7 | Low | 110 Ų | 110 | 91.3 Ų | 91.3 | 71% | 0.714 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 122.8 | 178 | 21.7 | -30.1 | 0 | 0 | 0 | 109.7 | T72 | P70-T72 PolarHBondContact O-N 3.44Š|
| 71 | V | 54.1 | Low | 56.9 | Low | 80 Ų | 80 | 88 Ų | 88 | 49% | 0.485 | 56% | 0.556 | S | S | . | * | trans | -73.1 | 114.4 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | T69 V76 | T69-V71 PolarHBondContact O-N 3.07Å; T69-V71 VanDerWaalsContact O-N 3.15Å; V71-V76 HydrophobicContact CG1-CB 3.58Å; V71-V76 HydrophobicContact CG1-CG1 3.76Å | ||
| 72 | T | 55.8 | Low | 59.1 | Low | 128 Ų | 128 | 91.9 Ų | 91.9 | 79% | 0.785 | 56% | 0.562 | S | S | * | * | trans | -105.9 | -6.7 | -179.6 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | P70 | P70-T72 PolarHBondContact O-N 3.44Š| ||
| 73 | D | 63.5 | Low | 61.2 | Low | 91 Ų | 91 | 86.7 Ų | 86.7 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | trans | -85.1 | 118.4 | 175.9 | -166.1 | -19.2 | 0 | 0 | 0 | 109.9 | A75 V76 L77 | D73-A75 PolarHBondContact O-N 2.89Å; D73-A75 VanDerWaalsContact O-N 3.16Å; D73-A75 WeakPolarHBondContact OD1-CB 3.44Å; D73-A75 PolarHBondContact OD1-N 3.36Å; D73-V76 HydrophobicContact CB-CG2 4.18Å; D73-V76 PolarHBondContact O-N 2.01Å; D73-L77 PolarHBondContact O-N 3.04Å | ||
| 74 | V | 66.5 | Low | 63.1 | Low | 21 Ų | 21 | 87 Ų | 87 | 13% | 0.127 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.1 | 177.6 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | V76 L77 V113 V125 | V74-V76 PolarHBondContact O-N 2.82Å; V74-L77 PolarHBondContact O-N 2.9Å; V74-V113 HydrophobicContact CG1-CB 4.46Å; V74-V113 HydrophobicContact CG1-CG1 3.99Å; V74-V113 VanDerWaalsContact CG1-O 3.27Å; V74-V113 WeakPolarHBondContact CG1-O 2.98Å; V74-V125 HydrophobicContact CG1-CG2 3.99Å |
| 75 | A | 64.3 | Low | 64.9 | Low | 47 Ų | 47 | 86.1 Ų | 86.1 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D73 | D73-A75 PolarHBondContact O-N 2.89Å; D73-A75 VanDerWaalsContact O-N 3.16Å; D73-A75 WeakPolarHBondContact OD1-CB 3.44Å; D73-A75 PolarHBondContact OD1-N 3.36Å |
| 76 | V | 70.6 | Confident | 66.9 | Low | 98 Ų | 98 | 89.6 Ų | 89.6 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -2.3 | -177.3 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | V71 D73 V74 | V71-V76 HydrophobicContact CG1-CB 3.58Å; V71-V76 HydrophobicContact CG1-CG1 3.76Å; D73-V76 HydrophobicContact CB-CG2 4.18Å; D73-V76 PolarHBondContact O-N 2.01Å; V74-V76 PolarHBondContact O-N 2.82Å |
| 77 | L | 75.4 | Confident | 69.1 | Low | 57 Ų | 57 | 85 Ų | 85 | 30% | 0.298 | 50% | 0.499 | S | S | . | . | trans | -87.1 | 120.7 | -177.9 | -152.9 | 134 | 0 | 0 | 0 | 109.2 | D73 V74 V79 V113 | D73-L77 PolarHBondContact O-N 3.04Å; V74-L77 PolarHBondContact O-N 2.9Å; L77-V79 HydrophobicContact CD2-CG2 3.85Å; L77-V113 HydrophobicContact CB-CG1 4.07Å; L77-V113 HydrophobicContact CD2-CG1 3.89Å; L77-V113 WeakPolarHBondContact O-CG1 3.14Å | ||
| 78 | C | 80.1 | Confident | 71.3 | Confident | 28 Ų | 28 | 77.9 Ų | 77.9 | 19% | 0.189 | 48% | 0.475 | C | S | . | . | trans | -134.2 | 110.3 | 176.3 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | C80 D81 C91 C93 D94 | C78-C80 VanDerWaalsContact C-N 3.31Å; C78-D81 HydrophobicContact CB-CB 4.01Å; C78-C91 PolarHBondContact SG-SG 3.45Å; C78-C93 WeakPolarHBondContact CA-SG 2.96Å; C78-C93 HydrophobicContact CB-CB 3.73Å; C78-C93 WeakPolarHBondContact CB-SG 3.36Å; C78-C93 WeakPolarHBondContact SG-CB 3.44Å; C78-C93 PolarHBondContact SG-O 2.65Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 3.47Å; C78-D94 PolarHBondContact SG-N 3.44Å | ||
| 79 | V | 80.4 | Confident | 73.2 | Confident | 103 Ų | 103 | 78.2 Ų | 78.2 | 62% | 0.624 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -16 | -174.5 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | L77 | L77-V79 HydrophobicContact CD2-CG2 3.85Š|
| 80 | C | 81.3 | Confident | 75.2 | Confident | 18 Ų | 18 | 73.9 Ų | 73.9 | 12% | 0.122 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 1.3 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 114.6 | C78 L82 D88 C91 C93 V110 | C78-C80 VanDerWaalsContact C-N 3.31Å; C80-L82 PolarHBondContact O-N 3.32Å; C80-D88 WeakPolarHBondContact O-CB 3.34Å; C80-C91 VanDerWaalsContact CA-SG 3.54Å; C80-C91 HydrophobicContact CB-CB 3.79Å; C80-C91 WeakPolarHBondContact CB-SG 3.4Å; C80-C91 PolarHBondContact O-SG 3.23Å; C80-C91 VanDerWaalsContact O-SG 3.32Å; C80-C91 WeakPolarHBondContact SG-CA 3.35Å; C80-C91 WeakPolarHBondContact SG-CB 3.35Å; C80-C91 CovalentContact SG-SG 2.04Å; C80-C91 PolarHBondContact SG-SG 3.49Å; C80-C93 PolarHBondContact SG-SG 3.11Å; C80-V110 HydrophobicContact CB-CG2 3.82Å |
| 81 | D | 84.1 | Confident | 77.1 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 31% | 0.31 | 41% | 0.408 | S | S | . | . | trans | -81.3 | 90.7 | 168.5 | 173.2 | 6.2 | 0 | 0 | 0 | 107.4 | C78 | C78-D81 HydrophobicContact CB-CB 4.01Š| ||
| 82 | L | 81.8 | Confident | 78.7 | Confident | 141 Ų | 141 | 64.9 Ų | 64.9 | 74% | 0.738 | 39% | 0.385 | S | S | * | . | trans | -101.7 | -22.9 | -174.3 | -60.7 | -179.9 | 0 | 0 | 0 | 111.5 | C80 D88 | C80-L82 PolarHBondContact O-N 3.32Å; L82-D88 PolarHBondContact N-OD2 2.82Å | ||
| 83 | S | 82.7 | Confident | 80.1 | Confident | 24 Ų | 24 | 59.1 Ų | 59.1 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -110.9 | 115.5 | -172.2 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | A85 Q86 D88 | S83-A85 PolarHBondContact O-N 2.86Å; S83-Q86 PolarHBondContact O-N 3.2Å; S83-Q86 WeakPolarHBondContact OG-CB 3.21Å; S83-Q86 PolarHBondContact OG-O 3Å; S83-Q86 VanDerWaalsContact OG-O 3.07Å; S83-D88 PolarHBondContact N-OD2 3.34Å; S83-D88 VanDerWaalsContact OG-CG 3.23Å; S83-D88 PolarHBondContact OG-OD1 3.42Å; S83-D88 PolarHBondContact OG-OD2 2.76Å |
| 84 | P | 80.9 | Confident | 81.3 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 75% | 0.747 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 125.6 | -174.8 | 23.7 | -31.9 | 0 | 0 | 0 | 111.6 | Q86 | P84-Q86 PolarHBondContact O-N 3.04Š|
| 85 | A | 80.1 | Confident | 82.1 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 70% | 0.702 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 27.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S83 D96 | S83-A85 PolarHBondContact O-N 2.86Å; A85-D96 WeakPolarHBondContact CA-OD2 3.09Å; A85-D96 PolarHBondContact N-OD2 2.92Å |
| 86 | Q | 85.1 | Confident | 83.3 | Confident | 129 Ų | 129 | 59.2 Ų | 59.2 | 60% | 0.603 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -137.7 | 143 | -179.4 | -71.5 | -178 | 40.3 | 0 | 0 | 109.9 | S83 P84 D88 D96 | S83-Q86 PolarHBondContact O-N 3.2Å; S83-Q86 WeakPolarHBondContact OG-CB 3.21Å; S83-Q86 PolarHBondContact OG-O 3Å; S83-Q86 VanDerWaalsContact OG-O 3.07Å; P84-Q86 PolarHBondContact O-N 3.04Å; Q86-D88 PolarHBondContact O-N 3.43Å; Q86-D96 PolarHBondContact N-OD2 2.97Å |
| 87 | C | 87.1 | Confident | 84.1 | Confident | 35 Ų | 35 | 55 Ų | 55 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -76 | 118.6 | 178.9 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | D94 C97 D101 | C87-D94 WeakPolarHBondContact CA-OD2 3.27Å; C87-C97 WeakPolarHBondContact CA-SG 3.48Å; C87-C97 HydrophobicContact CB-CB 3.93Å; C87-C97 WeakPolarHBondContact CB-SG 3.32Å; C87-C97 WeakPolarHBondContact SG-CA 3.39Å; C87-C97 WeakPolarHBondContact SG-CB 3.47Å; C87-C97 CovalentContact SG-SG 2.03Å; C87-C97 PolarHBondContact SG-SG 3.09Å; C87-D101 HydrophobicContact CB-CB 4.41Å; C87-D101 VanDerWaalsContact SG-CB 3.52Å |
| 88 | D | 87.6 | Confident | 84.6 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 17% | 0.171 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -81 | 124.4 | 172 | -80.6 | -67.9 | 0 | 0 | 0 | 111.4 | C80 L82 S83 Q86 N90 C91 D94 F105 | C80-D88 WeakPolarHBondContact O-CB 3.34Å; L82-D88 PolarHBondContact N-OD2 2.82Å; S83-D88 PolarHBondContact N-OD2 3.34Å; S83-D88 VanDerWaalsContact OG-CG 3.23Å; S83-D88 PolarHBondContact OG-OD1 3.42Å; S83-D88 PolarHBondContact OG-OD2 2.76Å; Q86-D88 PolarHBondContact O-N 3.43Å; D88-N90 PolarHBondContact O-N 2.9Å; D88-C91 HydrophobicContact CB-CB 3.78Å; D88-C91 VanDerWaalsContact O-CB 3.26Å; D88-C91 WeakPolarHBondContact O-CB 3.39Å; D88-C91 PolarHBondContact O-N 2.75Å; D88-D94 PolarHBondContact N-OD2 3.18Å; D88-F105 WeakPolarHBondContact O-CZ 3.2Å |
| 89 | I | 85.1 | Confident | 84.7 | Confident | 120 Ų | 120 | 55.6 Ų | 55.6 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 133.1 | -175.7 | -68.5 | 166.4 | 0 | 0 | 0 | 110.7 | C91 | I89-C91 PolarHBondContact O-N 3.08Š|
| 90 | N | 85 | Confident | 84.8 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 17% | 0.166 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 9.3 | -176.9 | -62.7 | -34.9 | 0 | 0 | 0 | 114.4 | D88 C92 F105 S106 A107 S109 | D88-N90 PolarHBondContact O-N 2.9Å; N90-C92 PolarHBondContact O-N 3.08Å; N90-F105 VanDerWaalsContact N-CZ 3.34Å; N90-F105 VanDerWaalsContact OD1-CA 3.28Å; N90-F105 WeakPolarHBondContact OD1-CA 2.94Å; N90-F105 WeakPolarHBondContact OD1-CB 3.49Å; N90-S106 PolarHBondContact OD1-N 3.01Å; N90-A107 WeakPolarHBondContact CA-O 3.06Å; N90-A107 WeakPolarHBondContact CB-O 3.1Å; N90-A107 VanDerWaalsContact CG-O 3.32Å; N90-A107 PolarHBondContact OD1-N 3.2Å; N90-A107 PolarHBondContact OD1-O 3.41Å; N90-A107 VanDerWaalsContact OD1-O 3.13Å; N90-S109 VanDerWaalsContact CB-OG 3.27Å; N90-S109 WeakPolarHBondContact CB-OG 3.39Å; N90-S109 PolarHBondContact O-N 3.11Å; N90-S109 PolarHBondContact O-OG 3.12Å |
| 91 | C | 87.8 | Confident | 85 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 34% | 0.34 | C | S | . | . | trans | -88.2 | 95.1 | 174.9 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | C78 C80 D88 I89 C93 D94 | C78-C91 PolarHBondContact SG-SG 3.45Å; C80-C91 VanDerWaalsContact CA-SG 3.54Å; C80-C91 HydrophobicContact CB-CB 3.79Å; C80-C91 WeakPolarHBondContact CB-SG 3.4Å; C80-C91 PolarHBondContact O-SG 3.23Å; C80-C91 VanDerWaalsContact O-SG 3.32Å; C80-C91 WeakPolarHBondContact SG-CA 3.35Å; C80-C91 WeakPolarHBondContact SG-CB 3.35Å; C80-C91 CovalentContact SG-SG 2.04Å; C80-C91 PolarHBondContact SG-SG 3.49Å; D88-C91 HydrophobicContact CB-CB 3.78Å; D88-C91 VanDerWaalsContact O-CB 3.26Å; D88-C91 WeakPolarHBondContact O-CB 3.39Å; D88-C91 PolarHBondContact O-N 2.75Å; I89-C91 PolarHBondContact O-N 3.08Å; C91-C93 VanDerWaalsContact C-N 3.3Å; C91-C93 PolarHBondContact O-N 3.27Å; C91-D94 HydrophobicContact CB-CB 3.95Å; C91-D94 VanDerWaalsContact O-CB 3.27Å; C91-D94 WeakPolarHBondContact O-CB 3.42Å; C91-D94 PolarHBondContact O-N 3.41Å | ||
| 92 | C | 86.8 | Confident | 85 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -18.4 | -175 | -63.2 | 0 | 0 | 0 | 0 | 114.3 | N90 C108 Y127 L129 R138 | N90-C92 PolarHBondContact O-N 3.08Å; C92-C108 HydrophobicContact CB-CB 3.85Å; C92-C108 WeakPolarHBondContact CB-SG 3.17Å; C92-C108 WeakPolarHBondContact SG-CA 3.46Å; C92-C108 WeakPolarHBondContact SG-CB 3.11Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 2.9Å; C92-Y127 HydrophobicContact CB-CG 4.37Å; C92-Y127 WeakPolarHBondContact O-CD1 3.46Å; C92-L129 VanDerWaalsContact SG-CD1 3.58Å; C92-R138 WeakPolarHBondContact O-CD 3.37Å |
| 93 | C | 86.9 | Confident | 85 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -5.1 | 175.6 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | C78 C80 C91 V113 Y127 | C78-C93 WeakPolarHBondContact CA-SG 2.96Å; C78-C93 HydrophobicContact CB-CB 3.73Å; C78-C93 WeakPolarHBondContact CB-SG 3.36Å; C78-C93 WeakPolarHBondContact SG-CB 3.44Å; C78-C93 PolarHBondContact SG-O 2.65Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 3.47Å; C80-C93 PolarHBondContact SG-SG 3.11Å; C91-C93 VanDerWaalsContact C-N 3.3Å; C91-C93 PolarHBondContact O-N 3.27Å; C93-V113 HydrophobicContact CB-CG2 4.46Å; C93-Y127 HydrophobicContact CB-CD1 4.29Å; C93-Y127 HydrophobicContact CB-CD2 3.83Å; C93-Y127 HydrophobicContact CB-CE1 3.91Å; C93-Y127 HydrophobicContact CB-CE2 3.39Å; C93-Y127 HydrophobicContact CB-CG 4.25Å; C93-Y127 VanDerWaalsContact CB-CZ 3.42Å |
| 94 | D | 87.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -67 | 123.8 | -176.3 | -172 | -29.6 | 0 | 0 | 0 | 110.6 | C78 C87 D88 C91 D96 C97 R138 | C78-D94 PolarHBondContact SG-N 3.44Å; C87-D94 WeakPolarHBondContact CA-OD2 3.27Å; D88-D94 PolarHBondContact N-OD2 3.18Å; C91-D94 HydrophobicContact CB-CB 3.95Å; C91-D94 VanDerWaalsContact O-CB 3.27Å; C91-D94 WeakPolarHBondContact O-CB 3.42Å; C91-D94 PolarHBondContact O-N 3.41Å; D94-D96 VanDerWaalsContact C-N 3.32Å; D94-D96 WeakPolarHBondContact OD1-CA 3.46Å; D94-D96 WeakPolarHBondContact OD1-CB 3.5Å; D94-D96 PolarHBondContact OD1-N 2.91Å; D94-C97 HydrophobicContact CB-CB 4.35Å; D94-C97 VanDerWaalsContact CG-SG 3.58Å; D94-R138 PolarHBondContact O-NH1 3.1Å | ||
| 95 | P | 84.6 | Confident | 85.3 | Confident | 85 Ų | 85 | 51 Ų | 51 | 55% | 0.552 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -73.3 | -21.4 | 178.5 | 31.2 | -35.2 | 0 | 0 | 0 | 113.7 | ||
| 96 | D | 88.3 | Confident | 85.4 | Confident | 75 Ų | 75 | 51.7 Ų | 51.7 | 40% | 0.401 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -85.3 | -13.1 | -176.3 | -65.2 | -45 | 0 | 0 | 0 | 112.6 | A85 Q86 D94 | A85-D96 WeakPolarHBondContact CA-OD2 3.09Å; A85-D96 PolarHBondContact N-OD2 2.92Å; Q86-D96 PolarHBondContact N-OD2 2.97Å; D94-D96 VanDerWaalsContact C-N 3.32Å; D94-D96 WeakPolarHBondContact OD1-CA 3.46Å; D94-D96 WeakPolarHBondContact OD1-CB 3.5Å; D94-D96 PolarHBondContact OD1-N 2.91Å |
| 97 | C | 86.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | trans | -77.7 | 130.2 | 175.5 | -66.1 | 0 | 0 | 0 | 0 | 113.7 | C87 D94 F102 F105 | C87-C97 WeakPolarHBondContact CA-SG 3.48Å; C87-C97 HydrophobicContact CB-CB 3.93Å; C87-C97 WeakPolarHBondContact CB-SG 3.32Å; C87-C97 WeakPolarHBondContact SG-CA 3.39Å; C87-C97 WeakPolarHBondContact SG-CB 3.47Å; C87-C97 CovalentContact SG-SG 2.03Å; C87-C97 PolarHBondContact SG-SG 3.09Å; D94-C97 HydrophobicContact CB-CB 4.35Å; D94-C97 VanDerWaalsContact CG-SG 3.58Å; C97-F102 HydrophobicContact CB-CD1 4.29Å; C97-F102 HydrophobicContact CB-CE1 3.49Å; C97-F102 VanDerWaalsContact CB-CE1 3.49Å; C97-F102 HydrophobicContact CB-CZ 4Å; C97-F102 WeakPolarHBondContact O-CZ 3.45Å; C97-F105 HydrophobicContact CB-CZ 4.43Å | ||
| 98 | S | 86.4 | Confident | 85 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | trans | -104.5 | 174.8 | 178.1 | 78.8 | 0 | 0 | 0 | 0 | 112.8 | V100 D101 F102 | S98-V100 PolarHBondContact O-N 3.14Å; S98-V100 VanDerWaalsContact O-N 3.17Å; S98-V100 PolarHBondContact OG-N 3.03Å; S98-D101 WeakPolarHBondContact CA-OD2 3.35Å; S98-D101 VanDerWaalsContact CB-OD2 3.32Å; S98-D101 WeakPolarHBondContact CB-OD2 3.38Å; S98-D101 PolarHBondContact N-OD2 2.96Å; S98-D101 PolarHBondContact O-N 2.92Å; S98-D101 PolarHBondContact OG-OD2 2.7Å; S98-F102 VanDerWaalsContact O-CD2 3.31Å; S98-F102 WeakPolarHBondContact O-CD2 3.38Å; S98-F102 WeakPolarHBondContact O-CG 3.44Å; S98-F102 PolarHBondContact O-N 3.34Å | ||
| 99 | S | 82.4 | Confident | 84.7 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 33% | 0.329 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.7 | 174.6 | 63.8 | 0 | 0 | 0 | 0 | 114 | S103 P136 | S99-S103 PolarHBondContact O-OG 2.93Å; S99-P136 WeakPolarHBondContact CB-O 3.41Å |
| 100 | V | 83.1 | Confident | 84.3 | Confident | 106 Ų | 106 | 45.7 Ų | 45.7 | 64% | 0.642 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -40.6 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | S98 S103 | S98-V100 PolarHBondContact O-N 3.14Å; S98-V100 VanDerWaalsContact O-N 3.17Å; S98-V100 PolarHBondContact OG-N 3.03Å; V100-S103 VanDerWaalsContact O-CB 3.31Å; V100-S103 WeakPolarHBondContact O-CB 3.14Å; V100-S103 PolarHBondContact O-N 3.18Å; V100-S103 PolarHBondContact O-OG 3.43Å |
| 101 | D | 85.1 | Confident | 83.8 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -74.3 | -36.2 | -178 | -49.3 | -60 | 0 | 0 | 0 | 111.7 | C87 S98 S103 V104 F105 | C87-D101 HydrophobicContact CB-CB 4.41Å; C87-D101 VanDerWaalsContact SG-CB 3.52Å; S98-D101 WeakPolarHBondContact CA-OD2 3.35Å; S98-D101 VanDerWaalsContact CB-OD2 3.32Å; S98-D101 WeakPolarHBondContact CB-OD2 3.38Å; S98-D101 PolarHBondContact N-OD2 2.96Å; S98-D101 PolarHBondContact O-N 2.92Å; S98-D101 PolarHBondContact OG-OD2 2.7Å; D101-S103 PolarHBondContact O-N 3.31Å; D101-V104 WeakPolarHBondContact O-CG2 3.28Å; D101-V104 PolarHBondContact O-N 2.91Å; D101-F105 HydrophobicContact CB-CE1 4.49Å; D101-F105 WeakPolarHBondContact O-CD1 3.39Å; D101-F105 WeakPolarHBondContact O-CE1 3.37Å |
| 102 | F | 84.2 | Confident | 83.4 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -59.7 | -19.8 | 173.7 | -58.7 | -33.3 | 0 | 0 | 0 | 113.6 | C97 S98 V104 F105 L129 P136 R138 | C97-F102 HydrophobicContact CB-CD1 4.29Å; C97-F102 HydrophobicContact CB-CE1 3.49Å; C97-F102 VanDerWaalsContact CB-CE1 3.49Å; C97-F102 HydrophobicContact CB-CZ 4Å; C97-F102 WeakPolarHBondContact O-CZ 3.45Å; S98-F102 VanDerWaalsContact O-CD2 3.31Å; S98-F102 WeakPolarHBondContact O-CD2 3.38Å; S98-F102 WeakPolarHBondContact O-CG 3.44Å; S98-F102 PolarHBondContact O-N 3.34Å; F102-V104 VanDerWaalsContact C-N 3.26Å; F102-V104 PolarHBondContact O-N 2.8Å; F102-F105 HydrophobicContact CD1-CD2 4.04Å; F102-F105 AromaticContact CD1-CE2 3.83Å; F102-F105 HydrophobicContact CD1-CE2 3.83Å; F102-F105 HydrophobicContact CD1-CZ 4.33Å; F102-F105 HydrophobicContact CE1-CE2 4.2Å; F102-F105 PolarHBondContact O-N 3.36Å; F102-L129 HydrophobicContact CB-CD2 4.17Å; F102-L129 HydrophobicContact CD1-CD2 3.82Å; F102-L129 HydrophobicContact CD2-CD2 4.35Å; F102-L129 HydrophobicContact CE1-CD2 4.33Å; F102-L129 HydrophobicContact CG-CD2 3.85Å; F102-P136 HydrophobicContact CB-CB 3.99Å; F102-R138 HydrophobicContact CE2-CB 3.94Å; F102-R138 HydrophobicContact CZ-CB 3.99Å |
| 103 | S | 81.9 | Confident | 83 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -71.8 | -19.2 | 177.1 | -52.4 | 0 | 0 | 0 | 0 | 113.3 | S99 V100 D101 | S99-S103 PolarHBondContact O-OG 2.93Å; V100-S103 VanDerWaalsContact O-CB 3.31Å; V100-S103 WeakPolarHBondContact O-CB 3.14Å; V100-S103 PolarHBondContact O-N 3.18Å; V100-S103 PolarHBondContact O-OG 3.43Å; D101-S103 PolarHBondContact O-N 3.31Å |
| 104 | V | 83.9 | Confident | 82.5 | Confident | 108 Ų | 108 | 52.4 Ų | 52.4 | 66% | 0.655 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -98.4 | -1 | 175.8 | -64.3 | 0 | 0 | 0 | 0 | 113 | D101 F102 | D101-V104 WeakPolarHBondContact O-CG2 3.28Å; D101-V104 PolarHBondContact O-N 2.91Å; F102-V104 VanDerWaalsContact C-N 3.26Å; F102-V104 PolarHBondContact O-N 2.8Å |
| 105 | F | 85.5 | Confident | 81.7 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 5% | 0.053 | 35% | 0.352 | C | S | . | . | trans | -81.5 | 141.6 | -178.7 | -72.6 | 18.7 | 0 | 0 | 0 | 110.4 | D88 N90 C97 D101 F102 L129 F131 | D88-F105 WeakPolarHBondContact O-CZ 3.2Å; N90-F105 VanDerWaalsContact N-CZ 3.34Å; N90-F105 VanDerWaalsContact OD1-CA 3.28Å; N90-F105 WeakPolarHBondContact OD1-CA 2.94Å; N90-F105 WeakPolarHBondContact OD1-CB 3.49Å; C97-F105 HydrophobicContact CB-CZ 4.43Å; D101-F105 HydrophobicContact CB-CE1 4.49Å; D101-F105 WeakPolarHBondContact O-CD1 3.39Å; D101-F105 WeakPolarHBondContact O-CE1 3.37Å; F102-F105 HydrophobicContact CD1-CD2 4.04Å; F102-F105 AromaticContact CD1-CE2 3.83Å; F102-F105 HydrophobicContact CD1-CE2 3.83Å; F102-F105 HydrophobicContact CD1-CZ 4.33Å; F102-F105 HydrophobicContact CE1-CE2 4.2Å; F102-F105 PolarHBondContact O-N 3.36Å; F105-L129 HydrophobicContact CB-CD1 3.85Å; F105-L129 HydrophobicContact CD2-CD1 3.8Å; F105-L129 HydrophobicContact CG-CD1 4.32Å; F105-F131 WeakPolarHBondContact O-CE1 3.32Å | ||
| 106 | S | 81.7 | Confident | 80.9 | Confident | 98 Ų | 98 | 52.8 Ų | 52.8 | 69% | 0.685 | 34% | 0.342 | S | S | * | . | trans | -101.8 | -28.2 | 175.7 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | N90 | N90-S106 PolarHBondContact OD1-N 3.01Š| ||
| 107 | A | 81.3 | Confident | 80 | Confident | 53 Ų | 53 | 53 Ų | 53 | 44% | 0.438 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -163.4 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N90 | N90-A107 WeakPolarHBondContact CA-O 3.06Å; N90-A107 WeakPolarHBondContact CB-O 3.1Å; N90-A107 VanDerWaalsContact CG-O 3.32Å; N90-A107 PolarHBondContact OD1-N 3.2Å; N90-A107 PolarHBondContact OD1-O 3.41Å; N90-A107 VanDerWaalsContact OD1-O 3.13Å |
| 108 | C | 82.9 | Confident | 79.5 | Confident | 27 Ų | 27 | 57.9 Ų | 57.9 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | trans | -92.2 | 120.3 | 167.5 | -65 | 0 | 0 | 0 | 0 | 110.3 | C92 V110 | C92-C108 HydrophobicContact CB-CB 3.85Å; C92-C108 WeakPolarHBondContact CB-SG 3.17Å; C92-C108 WeakPolarHBondContact SG-CA 3.46Å; C92-C108 WeakPolarHBondContact SG-CB 3.11Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 2.9Å; C108-V110 VanDerWaalsContact C-N 3.32Å | ||
| 109 | S | 81.5 | Confident | 79.1 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -65.6 | -35.6 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | N90 | N90-S109 VanDerWaalsContact CB-OG 3.27Å; N90-S109 WeakPolarHBondContact CB-OG 3.39Å; N90-S109 PolarHBondContact O-N 3.11Å; N90-S109 PolarHBondContact O-OG 3.12Å |
| 110 | V | 77.7 | Confident | 78.8 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 19% | 0.194 | 36% | 0.356 | C | S | . | . | trans | -123 | 89.7 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | C80 C108 V112 V113 | C80-V110 HydrophobicContact CB-CG2 3.82Å; C108-V110 VanDerWaalsContact C-N 3.32Å; V110-V112 VanDerWaalsContact C-N 3.31Å; V110-V112 WeakPolarHBondContact CG1-O 3.47Å; V110-V113 HydrophobicContact CG1-CG2 3.91Å | ||
| 111 | P | 73.4 | Confident | 78.7 | Confident | 66 Ų | 66 | 55 Ų | 55 | 43% | 0.429 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -78 | -18.1 | -178.3 | 30.5 | -34.5 | 0 | 0 | 0 | 112.6 | I126 Y127 | P111-I126 CarbonylContact O-C 3.57Å; P111-I126 VanDerWaalsContact O-CA 3.31Å; P111-I126 WeakPolarHBondContact O-CA 3.48Å; P111-Y127 PolarHBondContact O-N 2.83Å |
| 112 | V | 79.3 | Confident | 78.4 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 38% | 0.376 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 127.8 | 178.4 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | V110 T114 A124 V125 I126 | V110-V112 VanDerWaalsContact C-N 3.31Å; V110-V112 WeakPolarHBondContact CG1-O 3.47Å; V112-T114 HydrophobicContact CG1-CG2 3.74Å; V112-A124 HydrophobicContact CG1-CB 4.11Å; V112-V125 CarbonylContact C-O 3.56Å; V112-V125 VanDerWaalsContact CA-O 3.3Å; V112-V125 WeakPolarHBondContact CA-O 2.96Å; V112-I126 HydrophobicContact CG1-CG1 4.4Å; V112-I126 HydrophobicContact CG2-CG1 4.28Å |
| 113 | V | 78.6 | Confident | 78.3 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.024 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.2 | 170.2 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | V74 L77 C93 V110 A124 V125 Y127 | V74-V113 HydrophobicContact CG1-CB 4.46Å; V74-V113 HydrophobicContact CG1-CG1 3.99Å; V74-V113 VanDerWaalsContact CG1-O 3.27Å; V74-V113 WeakPolarHBondContact CG1-O 2.98Å; L77-V113 HydrophobicContact CB-CG1 4.07Å; L77-V113 HydrophobicContact CD2-CG1 3.89Å; L77-V113 WeakPolarHBondContact O-CG1 3.14Å; C93-V113 HydrophobicContact CB-CG2 4.46Å; V110-V113 HydrophobicContact CG1-CG2 3.91Å; V113-A124 CarbonylContact O-C 3.58Å; V113-A124 VanDerWaalsContact O-CA 3.31Å; V113-A124 WeakPolarHBondContact O-CA 3.3Å; V113-V125 HydrophobicContact CB-CB 4.45Å; V113-V125 PolarHBondContact N-O 2.94Å; V113-V125 PolarHBondContact O-N 2.8Å; V113-Y127 HydrophobicContact CB-CE2 4.35Å; V113-Y127 HydrophobicContact CG2-CD2 4.03Å; V113-Y127 HydrophobicContact CG2-CE2 3.72Å |
| 114 | T | 76.5 | Confident | 78.3 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 30% | 0.301 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 158.1 | 178.8 | 70.4 | 0 | 0 | 0 | 0 | 110.5 | V112 A124 | V112-T114 HydrophobicContact CG1-CG2 3.74Å; T114-A124 HydrophobicContact CG2-CB 3.81Å |
| 115 | G | 69.9 | Low | 78.3 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -74.1 | -153.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S117 Q122 | G115-S117 PolarHBondContact O-N 3.2Å; G115-Q122 PolarHBondContact O-OE1 2.91Å |
| 116 | D | 68.6 | Low | 78.2 | Confident | 62 Ų | 62 | 52.9 Ų | 52.9 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | trans | -62.5 | 117.1 | 176 | -176.1 | -13.6 | 0 | 0 | 0 | 111.4 | Q118 F119 Q122 | D116-Q118 PolarHBondContact O-N 3Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.39Å; D116-Q118 VanDerWaalsContact OD1-CG 3.3Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.35Å; D116-Q118 PolarHBondContact OD1-N 3.27Å; D116-F119 HydrophobicContact CB-CD2 3.88Å; D116-F119 HydrophobicContact CB-CE2 3.87Å; D116-F119 WeakPolarHBondContact O-CD2 3.46Å; D116-F119 PolarHBondContact O-N 2.98Å; D116-Q122 PolarHBondContact O-OE1 3.15Å | ||
| 117 | S | 70.3 | Confident | 78.3 | Confident | 80 Ų | 80 | 49 Ų | 49 | 56% | 0.559 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -9.4 | -176.7 | 60.4 | 0 | 0 | 0 | 0 | 114 | G115 F119 N147 | G115-S117 PolarHBondContact O-N 3.2Å; S117-F119 VanDerWaalsContact C-N 3.35Å; S117-N147 PolarHBondContact O-ND2 3.36Å |
| 118 | Q | 75.3 | Confident | 78.4 | Confident | 112 Ų | 112 | 49.1 Ų | 49.1 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -17 | 179.9 | -62.6 | -178.6 | 10.2 | 0 | 0 | 113.9 | D116 C152 I153 | D116-Q118 PolarHBondContact O-N 3Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.39Å; D116-Q118 VanDerWaalsContact OD1-CG 3.3Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.35Å; D116-Q118 PolarHBondContact OD1-N 3.27Å; Q118-C152 CarbonylContact O-C 3.28Å; Q118-C152 VanDerWaalsContact O-CA 3.28Å; Q118-C152 WeakPolarHBondContact O-CA 3.18Å; Q118-I153 HydrophobicContact CB-CD1 3.78Å; Q118-I153 HydrophobicContact CB-CG1 4.22Å; Q118-I153 PolarHBondContact O-N 2.92Å |
| 119 | F | 78.2 | Confident | 78.4 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 20% | 0.202 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 145.2 | -178.8 | -75.9 | -88.2 | 0 | 0 | 0 | 113.4 | D116 S117 S121 Q122 N147 I153 T156 L162 | D116-F119 HydrophobicContact CB-CD2 3.88Å; D116-F119 HydrophobicContact CB-CE2 3.87Å; D116-F119 WeakPolarHBondContact O-CD2 3.46Å; D116-F119 PolarHBondContact O-N 2.98Å; S117-F119 VanDerWaalsContact C-N 3.35Å; F119-S121 VanDerWaalsContact C-N 3.3Å; F119-S121 PolarHBondContact O-N 2.95Å; F119-Q122 HydrophobicContact CB-CB 4.32Å; F119-N147 WeakPolarHBondContact O-CB 3.34Å; F119-I153 WeakPolarHBondContact CA-O 3.26Å; F119-I153 HydrophobicContact CD1-CB 4.38Å; F119-I153 HydrophobicContact CD1-CG2 4.34Å; F119-I153 WeakPolarHBondContact CD1-O 3Å; F119-I153 HydrophobicContact CE1-CG2 4.29Å; F119-T156 HydrophobicContact CE1-CG2 3.43Å; F119-T156 VanDerWaalsContact CE1-CG2 3.43Å; F119-T156 HydrophobicContact CE2-CG2 4.4Å; F119-T156 HydrophobicContact CZ-CG2 3.34Å; F119-L162 HydrophobicContact CZ-CD1 4.46Å |
| 120 | C | 76.6 | Confident | 78.6 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -64.7 | -34.8 | 177.5 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | N147 C152 I153 | C120-N147 PolarHBondContact O-N 3.21Å; C120-C152 WeakPolarHBondContact CA-SG 3.31Å; C120-C152 HydrophobicContact CB-CB 3.84Å; C120-C152 WeakPolarHBondContact CB-SG 3.32Å; C120-C152 WeakPolarHBondContact SG-CB 3.39Å; C120-C152 PolarHBondContact SG-O 2.95Å; C120-C152 CovalentContact SG-SG 2.03Å; C120-C152 PolarHBondContact SG-SG 3.47Å; C120-I153 PolarHBondContact N-O 3.18Å |
| 121 | S | 80.4 | Confident | 78.7 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 130.1 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 107.4 | F119 | F119-S121 VanDerWaalsContact C-N 3.3Å; F119-S121 PolarHBondContact O-N 2.95Å |
| 122 | Q | 78.1 | Confident | 79.2 | Confident | 25 Ų | 25 | 54 Ų | 54 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 154.5 | 175.6 | 58.7 | 169 | -11.4 | 0 | 0 | 111 | G115 D116 F119 Q145 | G115-Q122 PolarHBondContact O-OE1 2.91Å; D116-Q122 PolarHBondContact O-OE1 3.15Å; F119-Q122 HydrophobicContact CB-CB 4.32Å; Q122-Q145 HydrophobicContact CG-CB 4.46Å; Q122-Q145 PolarHBondContact N-O 3.25Å; Q122-Q145 PolarHBondContact O-N 2.82Å |
| 123 | K | 81.9 | Confident | 79.2 | Confident | 121 Ų | 121 | 51.9 Ų | 51.9 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 134.8 | 171.6 | -66.6 | -176.7 | 173.3 | -171.5 | 0 | 109.6 | L142 | K123-L142 HydrophobicContact CD-CD2 4.09Å |
| 124 | A | 82.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 145.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V112 V113 T114 L142 V143 Q145 | V112-A124 HydrophobicContact CG1-CB 4.11Å; V113-A124 CarbonylContact O-C 3.58Å; V113-A124 VanDerWaalsContact O-CA 3.31Å; V113-A124 WeakPolarHBondContact O-CA 3.3Å; T114-A124 HydrophobicContact CG2-CB 3.81Å; A124-L142 WeakPolarHBondContact O-CA 3.44Å; A124-V143 HydrophobicContact CB-CG2 4Å; A124-V143 PolarHBondContact N-O 3.11Å; A124-V143 PolarHBondContact O-N 3.39Å; A124-Q145 HydrophobicContact CB-CB 3.99Å |
| 125 | V | 83.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.1 | 171.8 | -174 | 0 | 0 | 0 | 0 | 107.9 | V74 V112 V113 Y127 F140 E141 L142 | V74-V125 HydrophobicContact CG1-CG2 3.99Å; V112-V125 CarbonylContact C-O 3.56Å; V112-V125 VanDerWaalsContact CA-O 3.3Å; V112-V125 WeakPolarHBondContact CA-O 2.96Å; V113-V125 HydrophobicContact CB-CB 4.45Å; V113-V125 PolarHBondContact N-O 2.94Å; V113-V125 PolarHBondContact O-N 2.8Å; V125-Y127 HydrophobicContact CB-CD2 4.4Å; V125-Y127 HydrophobicContact CB-CE2 3.81Å; V125-Y127 HydrophobicContact CG1-CD2 3.87Å; V125-Y127 HydrophobicContact CG1-CE1 4.12Å; V125-Y127 HydrophobicContact CG1-CE2 3.33Å; V125-Y127 HydrophobicContact CG1-CG 4.46Å; V125-Y127 VanDerWaalsContact CG1-CZ 3.49Å; V125-F140 HydrophobicContact CG1-CB 4.19Å; V125-E141 CarbonylContact C-O 3.57Å; V125-E141 WeakPolarHBondContact CA-O 3.22Å; V125-L142 HydrophobicContact CG2-CD1 3.5Å |
| 126 | I | 82.8 | Confident | 80 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.6 | 172.6 | -58.4 | 179 | 0 | 0 | 0 | 108.1 | P111 V112 F140 E141 V143 | P111-I126 CarbonylContact O-C 3.57Å; P111-I126 VanDerWaalsContact O-CA 3.31Å; P111-I126 WeakPolarHBondContact O-CA 3.48Å; V112-I126 HydrophobicContact CG1-CG1 4.4Å; V112-I126 HydrophobicContact CG2-CG1 4.28Å; I126-F140 VanDerWaalsContact O-CA 3.26Å; I126-F140 WeakPolarHBondContact O-CA 3.33Å; I126-E141 PolarHBondContact N-O 2.82Å; I126-E141 PolarHBondContact O-N 2.9Å; I126-V143 HydrophobicContact CD1-CG1 4.17Å; I126-V143 HydrophobicContact CD1-CG2 3.76Å; I126-V143 HydrophobicContact CG1-CG2 3.95Å |
| 127 | Y | 83.6 | Confident | 80.7 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 7% | 0.071 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.7 | 175.7 | -70.9 | -82.7 | 0 | 0 | 0 | 110.6 | C92 C93 P111 V113 V125 R138 F140 | C92-Y127 HydrophobicContact CB-CG 4.37Å; C92-Y127 WeakPolarHBondContact O-CD1 3.46Å; C93-Y127 HydrophobicContact CB-CD1 4.29Å; C93-Y127 HydrophobicContact CB-CD2 3.83Å; C93-Y127 HydrophobicContact CB-CE1 3.91Å; C93-Y127 HydrophobicContact CB-CE2 3.39Å; C93-Y127 HydrophobicContact CB-CG 4.25Å; C93-Y127 VanDerWaalsContact CB-CZ 3.42Å; P111-Y127 PolarHBondContact O-N 2.83Å; V113-Y127 HydrophobicContact CB-CE2 4.35Å; V113-Y127 HydrophobicContact CG2-CD2 4.03Å; V113-Y127 HydrophobicContact CG2-CE2 3.72Å; V125-Y127 HydrophobicContact CB-CD2 4.4Å; V125-Y127 HydrophobicContact CB-CE2 3.81Å; V125-Y127 HydrophobicContact CG1-CD2 3.87Å; V125-Y127 HydrophobicContact CG1-CE1 4.12Å; V125-Y127 HydrophobicContact CG1-CE2 3.33Å; V125-Y127 HydrophobicContact CG1-CG 4.46Å; V125-Y127 VanDerWaalsContact CG1-CZ 3.49Å; Y127-R138 HydrophobicContact CD1-CG 4.36Å; Y127-F140 HydrophobicContact CD1-CB 3.81Å; Y127-F140 HydrophobicContact CE1-CB 3.76Å |
| 128 | S | 83.4 | Confident | 81.4 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 161.2 | 171.5 | 63.4 | 0 | 0 | 0 | 0 | 111 | V139 | S128-V139 PolarHBondContact N-O 3.1Å; S128-V139 PolarHBondContact O-N 3.31Å; S128-V139 VanDerWaalsContact O-O 3.05Å |
| 129 | L | 83.9 | Confident | 81.8 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.7 | 176.2 | -69.9 | 164.8 | 0 | 0 | 0 | 109.4 | C92 F102 F105 F131 | C92-L129 VanDerWaalsContact SG-CD1 3.58Å; F102-L129 HydrophobicContact CB-CD2 4.17Å; F102-L129 HydrophobicContact CD1-CD2 3.82Å; F102-L129 HydrophobicContact CD2-CD2 4.35Å; F102-L129 HydrophobicContact CE1-CD2 4.33Å; F102-L129 HydrophobicContact CG-CD2 3.85Å; F105-L129 HydrophobicContact CB-CD1 3.85Å; F105-L129 HydrophobicContact CD2-CD1 3.8Å; F105-L129 HydrophobicContact CG-CD1 4.32Å; L129-F131 HydrophobicContact CB-CD1 4.46Å; L129-F131 HydrophobicContact CB-CD2 4.17Å; L129-F131 HydrophobicContact CB-CE1 4Å; L129-F131 HydrophobicContact CB-CE2 3.68Å; L129-F131 HydrophobicContact CB-CZ 3.6Å; L129-F131 HydrophobicContact CD1-CE1 3.92Å; L129-F131 HydrophobicContact CD1-CE2 4.35Å; L129-F131 HydrophobicContact CD1-CZ 3.53Å; L129-F131 HydrophobicContact CG-CZ 4.24Å; L129-F131 PolarHBondContact O-N 2.86Å |
| 130 | N | 85.6 | Confident | 82 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 89.9 | 168.7 | -173 | -3.6 | 0 | 0 | 0 | 109.6 | T132 A133 Q137 V139 | N130-T132 PolarHBondContact O-N 2.94Å; N130-T132 WeakPolarHBondContact OD1-CB 3.38Å; N130-T132 PolarHBondContact OD1-N 3.3Å; N130-T132 PolarHBondContact OD1-OG1 3.32Å; N130-A133 HydrophobicContact CB-CB 4.5Å; N130-A133 PolarHBondContact O-N 2.88Å; N130-A133 PolarHBondContact OD1-N 3.08Å; N130-Q137 PolarHBondContact N-O 2.99Å; N130-Q137 PolarHBondContact O-N 3.24Å; N130-V139 HydrophobicContact CB-CG2 3.91Å |
| 131 | F | 80.6 | Confident | 82.3 | Confident | 102 Ų | 102 | 68 Ų | 68 | 45% | 0.447 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -9.6 | 174.7 | -59.2 | -74.4 | 0 | 0 | 0 | 113.7 | F105 L129 | F105-F131 WeakPolarHBondContact O-CE1 3.32Å; L129-F131 HydrophobicContact CB-CD1 4.46Å; L129-F131 HydrophobicContact CB-CD2 4.17Å; L129-F131 HydrophobicContact CB-CE1 4Å; L129-F131 HydrophobicContact CB-CE2 3.68Å; L129-F131 HydrophobicContact CB-CZ 3.6Å; L129-F131 HydrophobicContact CD1-CE1 3.92Å; L129-F131 HydrophobicContact CD1-CE2 4.35Å; L129-F131 HydrophobicContact CD1-CZ 3.53Å; L129-F131 HydrophobicContact CG-CZ 4.24Å; L129-F131 PolarHBondContact O-N 2.86Å |
| 132 | T | 83 | Confident | 82.4 | Confident | 125 Ų | 125 | 69.2 Ų | 69.2 | 77% | 0.767 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -15.1 | 176.5 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | N130 | N130-T132 PolarHBondContact O-N 2.94Å; N130-T132 WeakPolarHBondContact OD1-CB 3.38Å; N130-T132 PolarHBondContact OD1-N 3.3Å; N130-T132 PolarHBondContact OD1-OG1 3.32Å |
| 133 | A | 79.3 | Confident | 82.7 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -76 | 142.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N130 P135 P136 Q137 | N130-A133 HydrophobicContact CB-CB 4.5Å; N130-A133 PolarHBondContact O-N 2.88Å; N130-A133 PolarHBondContact OD1-N 3.08Å; A133-P135 CarbonylContact C-O 3.4Å; A133-P135 VanDerWaalsContact C-O 3.28Å; A133-P135 CarbonylContact O-C 3.57Å; A133-P136 WeakPolarHBondContact O-CA 3.45Å; A133-P136 VanDerWaalsContact O-N 3.13Å; A133-Q137 HydrophobicContact CB-CB 4.21Å; A133-Q137 HydrophobicContact CB-CG 3.97Å |
| 134 | N | 78.8 | Confident | 82.6 | Confident | 161 Ų | 161 | 69.9 Ų | 69.9 | 86% | 0.861 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -119.5 | 108.6 | 175.6 | -91.8 | -42.8 | 0 | 0 | 0 | 109.9 | ||
| 135 | P | 78.9 | Confident | 82.3 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | S | Bend | cis | -73.1 | 162.9 | -1.6 | 33.6 | -37 | 0 | 0 | 0 | 112.8 | A133 Q137 | A133-P135 CarbonylContact C-O 3.4Å; A133-P135 VanDerWaalsContact C-O 3.28Å; A133-P135 CarbonylContact O-C 3.57Å; P135-Q137 WeakPolarHBondContact O-CG 3.21Å |
| 136 | P | 84.3 | Confident | 82.1 | Confident | 13 Ų | 13 | 80.2 Ų | 80.2 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | trans | -54.5 | 140.3 | 180 | -26.8 | 35 | 0 | 0 | 0 | 112.3 | S99 F102 A133 | S99-P136 WeakPolarHBondContact CB-O 3.41Å; F102-P136 HydrophobicContact CB-CB 3.99Å; A133-P136 WeakPolarHBondContact O-CA 3.45Å; A133-P136 VanDerWaalsContact O-N 3.13Å | ||
| 137 | Q | 83.1 | Confident | 81.5 | Confident | 117 Ų | 117 | 79 Ų | 79 | 55% | 0.547 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.9 | -175.4 | -67.3 | -172.4 | -9.6 | 0 | 0 | 112.1 | N130 A133 P135 | N130-Q137 PolarHBondContact N-O 2.99Å; N130-Q137 PolarHBondContact O-N 3.24Å; A133-Q137 HydrophobicContact CB-CB 4.21Å; A133-Q137 HydrophobicContact CB-CG 3.97Å; P135-Q137 WeakPolarHBondContact O-CG 3.21Å |
| 138 | R | 84.9 | Confident | 80.7 | Confident | 86 Ų | 86 | 84.2 Ų | 84.2 | 33% | 0.325 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.1 | 166.8 | 175.9 | 174.5 | 67.3 | -162.5 | -1.5 | 110.3 | C92 D94 F102 Y127 | C92-R138 WeakPolarHBondContact O-CD 3.37Å; D94-R138 PolarHBondContact O-NH1 3.1Å; F102-R138 HydrophobicContact CE2-CB 3.94Å; F102-R138 HydrophobicContact CZ-CB 3.99Å; Y127-R138 HydrophobicContact CD1-CG 4.36Å |
| 139 | V | 83.9 | Confident | 79.5 | Confident | 51 Ų | 51 | 84 Ų | 84 | 31% | 0.309 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.9 | 169 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | S128 N130 | S128-V139 PolarHBondContact N-O 3.1Å; S128-V139 PolarHBondContact O-N 3.31Å; S128-V139 VanDerWaalsContact O-O 3.05Å; N130-V139 HydrophobicContact CB-CG2 3.91Å |
| 140 | F | 83.5 | Confident | 78.3 | Confident | 131 Ų | 131 | 90.3 Ų | 90.3 | 58% | 0.575 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138 | 173.8 | 70.2 | -84.1 | 0 | 0 | 0 | 109.9 | V125 I126 Y127 | V125-F140 HydrophobicContact CG1-CB 4.19Å; I126-F140 VanDerWaalsContact O-CA 3.26Å; I126-F140 WeakPolarHBondContact O-CA 3.33Å; Y127-F140 HydrophobicContact CD1-CB 3.81Å; Y127-F140 HydrophobicContact CE1-CB 3.76Å |
| 141 | E | 82.8 | Confident | 77.4 | Confident | 121 Ų | 121 | 95.1 Ų | 95.1 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.5 | 177.8 | -69.7 | -173.2 | 174.7 | 0 | 0 | 110.1 | V125 I126 V143 | V125-E141 CarbonylContact C-O 3.57Å; V125-E141 WeakPolarHBondContact CA-O 3.22Å; I126-E141 PolarHBondContact N-O 2.82Å; I126-E141 PolarHBondContact O-N 2.9Å; E141-V143 HydrophobicContact CB-CG1 4.45Å |
| 142 | L | 82.2 | Confident | 77 | Confident | 97 Ų | 97 | 91.8 Ų | 91.8 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116.2 | 174.4 | -157.2 | 80.2 | 0 | 0 | 0 | 108.4 | K123 A124 V125 | K123-L142 HydrophobicContact CD-CD2 4.09Å; A124-L142 WeakPolarHBondContact O-CA 3.44Å; V125-L142 HydrophobicContact CG2-CD1 3.5Å |
| 143 | V | 83.1 | Confident | 76.3 | Confident | 45 Ų | 45 | 88.3 Ų | 88.3 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 149.5 | -177.7 | -58.5 | 0 | 0 | 0 | 0 | 111 | A124 I126 E141 | A124-V143 HydrophobicContact CB-CG2 4Å; A124-V143 PolarHBondContact N-O 3.11Å; A124-V143 PolarHBondContact O-N 3.39Å; I126-V143 HydrophobicContact CD1-CG1 4.17Å; I126-V143 HydrophobicContact CD1-CG2 3.76Å; I126-V143 HydrophobicContact CG1-CG2 3.95Å; E141-V143 HydrophobicContact CB-CG1 4.45Å |
| 144 | D | 80.6 | Confident | 75.6 | Confident | 115 Ų | 115 | 94.9 Ų | 94.9 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 113 | 169.8 | -70.1 | -36.5 | 0 | 0 | 0 | 109.1 | ||
| 145 | Q | 76 | Confident | 74.9 | Confident | 85 Ų | 85 | 93.3 Ų | 93.3 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127 | 176.2 | -170.8 | 171.4 | 0.7 | 0 | 0 | 110 | Q122 A124 | Q122-Q145 HydrophobicContact CG-CB 4.46Å; Q122-Q145 PolarHBondContact N-O 3.25Å; Q122-Q145 PolarHBondContact O-N 2.82Å; A124-Q145 HydrophobicContact CB-CB 3.99Å |
| 146 | I | 79.4 | Confident | 74.1 | Confident | 134 Ų | 134 | 92.2 Ų | 92.2 | 69% | 0.687 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 130 | -179.9 | -57.7 | 177.2 | 0 | 0 | 0 | 108.9 | ||
| 147 | N | 70.7 | Confident | 72.6 | Confident | 40 Ų | 40 | 99 Ų | 99 | 21% | 0.214 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 121.9 | 171.5 | -177.8 | -17.2 | 0 | 0 | 0 | 109.7 | S117 F119 C120 S149 C152 | S117-N147 PolarHBondContact O-ND2 3.36Å; F119-N147 WeakPolarHBondContact O-CB 3.34Å; C120-N147 PolarHBondContact O-N 3.21Å; N147-S149 PolarHBondContact O-N 3.33Å; N147-S149 WeakPolarHBondContact OD1-CB 3.48Å; N147-S149 PolarHBondContact OD1-N 2.91Å; N147-C152 HydrophobicContact CB-CB 4.19Å |
| 148 | P | 66.6 | Low | 71.3 | Confident | 128 Ų | 128 | 100.9 Ų | 100.9 | 83% | 0.831 | 51% | 0.51 | S | S | * | . | trans | -75.4 | -4.6 | -179.1 | 31.8 | -36.5 | 0 | 0 | 0 | 114.3 | ||||
| 149 | S | 58.3 | Low | 69.8 | Low | 50 Ų | 50 | 104.6 Ų | 104.6 | 35% | 0.35 | 53% | 0.528 | S | S | . | . | trans | -70.2 | 128.9 | 179.9 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | N147 F151 C152 | N147-S149 PolarHBondContact O-N 3.33Å; N147-S149 WeakPolarHBondContact OD1-CB 3.48Å; N147-S149 PolarHBondContact OD1-N 2.91Å; S149-F151 PolarHBondContact O-N 3.25Å; S149-F151 VanDerWaalsContact O-N 3.15Å; S149-F151 PolarHBondContact OG-N 3.3Å; S149-C152 VanDerWaalsContact O-CB 3.26Å; S149-C152 WeakPolarHBondContact O-CB 3.06Å; S149-C152 PolarHBondContact O-N 3.21Å; S149-C152 VanDerWaalsContact O-N 3.11Å; S149-C152 PolarHBondContact O-SG 2.74Å | ||
| 150 | I | 59.7 | Low | 68.1 | Low | 152 Ų | 152 | 105.6 Ų | 105.6 | 78% | 0.779 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.6 | 172.4 | 62.7 | 168.8 | 0 | 0 | 0 | 113.5 | ||
| 151 | F | 66.8 | Low | 66.6 | Low | 159 Ų | 159 | 102.8 Ų | 102.8 | 70% | 0.697 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 15.1 | 177.1 | -60.3 | -67 | 0 | 0 | 0 | 112.6 | S149 | S149-F151 PolarHBondContact O-N 3.25Å; S149-F151 VanDerWaalsContact O-N 3.15Å; S149-F151 PolarHBondContact OG-N 3.3Å |
| 152 | C | 70.5 | Confident | 65 | Low | 32 Ų | 32 | 101.9 Ų | 101.9 | 22% | 0.216 | 54% | 0.535 | C | S | . | . | trans | -63.1 | 150 | 177.7 | 65.6 | 0 | 0 | 0 | 0 | 111.8 | Q118 C120 N147 S149 H154 | Q118-C152 CarbonylContact O-C 3.28Å; Q118-C152 VanDerWaalsContact O-CA 3.28Å; Q118-C152 WeakPolarHBondContact O-CA 3.18Å; C120-C152 WeakPolarHBondContact CA-SG 3.31Å; C120-C152 HydrophobicContact CB-CB 3.84Å; C120-C152 WeakPolarHBondContact CB-SG 3.32Å; C120-C152 WeakPolarHBondContact SG-CB 3.39Å; C120-C152 PolarHBondContact SG-O 2.95Å; C120-C152 CovalentContact SG-SG 2.03Å; C120-C152 PolarHBondContact SG-SG 3.47Å; N147-C152 HydrophobicContact CB-CB 4.19Å; S149-C152 VanDerWaalsContact O-CB 3.26Å; S149-C152 WeakPolarHBondContact O-CB 3.06Å; S149-C152 PolarHBondContact O-N 3.21Å; S149-C152 VanDerWaalsContact O-N 3.11Å; S149-C152 PolarHBondContact O-SG 2.74Å; C152-H154 PolarHBondContact O-N 2.86Å | ||
| 153 | I | 69.9 | Low | 63.3 | Low | 53 Ų | 53 | 100.8 Ų | 100.8 | 27% | 0.272 | 54% | 0.536 | S | S | . | . | B | Isolated β-bridge | trans | -84.1 | 111 | -179.3 | -56.9 | 175.1 | 0 | 0 | 0 | 108.5 | Q118 F119 C120 T156 | Q118-I153 HydrophobicContact CB-CD1 3.78Å; Q118-I153 HydrophobicContact CB-CG1 4.22Å; Q118-I153 PolarHBondContact O-N 2.92Å; F119-I153 WeakPolarHBondContact CA-O 3.26Å; F119-I153 HydrophobicContact CD1-CB 4.38Å; F119-I153 HydrophobicContact CD1-CG2 4.34Å; F119-I153 WeakPolarHBondContact CD1-O 3Å; F119-I153 HydrophobicContact CE1-CG2 4.29Å; C120-I153 PolarHBondContact N-O 3.18Å; I153-T156 HydrophobicContact CG2-CG2 3.58Å |
| 154 | H | 64.8 | Low | 61.4 | Low | 156 Ų | 156 | 108.3 Ų | 108.3 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -81.1 | -35.4 | 178 | -169.5 | -93.9 | 0 | 0 | 0 | 112.2 | C152 | C152-H154 PolarHBondContact O-N 2.86Š|
| 155 | I | 62.8 | Low | 59.8 | Low | 127 Ų | 127 | 110.3 Ų | 110.3 | 65% | 0.651 | 57% | 0.574 | S | S | * | * | trans | -145.6 | 125.8 | 179.2 | -57.5 | 175.5 | 0 | 0 | 0 | 108.6 | ||||
| 156 | T | 62.1 | Low | 58.5 | Low | 44 Ų | 44 | 112.1 Ų | 112.1 | 27% | 0.27 | 59% | 0.587 | S | S | . | * | trans | -90 | 109.6 | 166.9 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | F119 I153 L162 | F119-T156 HydrophobicContact CE1-CG2 3.43Å; F119-T156 VanDerWaalsContact CE1-CG2 3.43Å; F119-T156 HydrophobicContact CE2-CG2 4.4Å; F119-T156 HydrophobicContact CZ-CG2 3.34Å; I153-T156 HydrophobicContact CG2-CG2 3.58Å; T156-L162 HydrophobicContact CG2-CD1 4.41Å | ||
| 157 | N | 52.9 | Low | 57.1 | Low | 156 Ų | 156 | 110.2 Ų | 110.2 | 83% | 0.834 | 58% | 0.583 | S | S | * | * | trans | -90.4 | -8.8 | 176.3 | 62.7 | -21.3 | 0 | 0 | 0 | 113 | ||||
| 158 | Y | 56.8 | Low | 56.3 | Low | 156 Ų | 156 | 115.1 Ų | 115.1 | 61% | 0.612 | 61% | 0.605 | S | S | * | * | trans | -115.3 | 75.6 | 177.4 | -169.6 | -118.7 | 0 | 0 | 0 | 111.1 | P160 A161 | Y158-P160 VanDerWaalsContact C-N 3.28Å; Y158-P160 HydrophobicContact CD2-CG 4.22Å; Y158-P160 HydrophobicContact CE1-CB 4.27Å; Y158-P160 HydrophobicContact CE2-CB 4.11Å; Y158-P160 HydrophobicContact CE2-CG 3.88Å; Y158-A161 HydrophobicContact CD1-CB 3.36Å; Y158-A161 HydrophobicContact CE1-CB 3.69Å; Y158-A161 HydrophobicContact CG-CB 4.49Å; Y158-A161 PolarHBondContact O-N 3.34Å | ||
| 159 | K | 51.5 | Low | 56 | Low | 165 Ų | 165 | 114 Ų | 114 | 72% | 0.717 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -52.2 | -33.7 | 177.3 | -62.5 | -173.6 | 179.5 | -175.7 | 0 | 114.9 | A161 L162 | K159-A161 VanDerWaalsContact C-N 3.27Å; K159-A161 PolarHBondContact O-N 3.3Å; K159-L162 PolarHBondContact O-N 2.97Å |
| 160 | P | 49 | Very low | 56.2 | Low | 71 Ų | 71 | 115.6 Ų | 115.6 | 46% | 0.461 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -63.6 | -24.5 | 178.9 | -24.2 | 35 | 0 | 0 | 0 | 115.1 | Y158 L162 S163 | Y158-P160 VanDerWaalsContact C-N 3.28Å; Y158-P160 HydrophobicContact CD2-CG 4.22Å; Y158-P160 HydrophobicContact CE1-CB 4.27Å; Y158-P160 HydrophobicContact CE2-CB 4.11Å; Y158-P160 HydrophobicContact CE2-CG 3.88Å; P160-L162 PolarHBondContact O-N 3.02Å; P160-S163 PolarHBondContact O-N 2.79Å; P160-S163 VanDerWaalsContact O-O 3.04Å; P160-S163 PolarHBondContact O-OG 2.78Å; P160-S163 VanDerWaalsContact O-OG 3.1Å |
| 161 | A | 52.2 | Low | 56.7 | Low | 73 Ų | 73 | 112.2 Ų | 112.2 | 60% | 0.603 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -70.5 | -13.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y158 K159 S163 | Y158-A161 HydrophobicContact CD1-CB 3.36Å; Y158-A161 HydrophobicContact CE1-CB 3.69Å; Y158-A161 HydrophobicContact CG-CB 4.49Å; Y158-A161 PolarHBondContact O-N 3.34Å; K159-A161 VanDerWaalsContact C-N 3.27Å; K159-A161 PolarHBondContact O-N 3.3Å; A161-S163 VanDerWaalsContact C-N 3.35Å |
| 162 | L | 49.1 | Very low | 56.8 | Low | 101 Ų | 101 | 113.6 Ų | 113.6 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -92.6 | 2.4 | 178.2 | -61.9 | 173.4 | 0 | 0 | 0 | 112.6 | F119 T156 K159 P160 | F119-L162 HydrophobicContact CZ-CD1 4.46Å; T156-L162 HydrophobicContact CG2-CD1 4.41Å; K159-L162 PolarHBondContact O-N 2.97Å; P160-L162 PolarHBondContact O-N 3.02Å |
| 163 | S | 46.2 | Very low | 56.8 | Low | 75 Ų | 75 | 119.2 Ų | 119.2 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -129.9 | 127.7 | -179.5 | 50.2 | 0 | 0 | 0 | 0 | 110 | P160 A161 | P160-S163 PolarHBondContact O-N 2.79Å; P160-S163 VanDerWaalsContact O-O 3.04Å; P160-S163 PolarHBondContact O-OG 2.78Å; P160-S163 VanDerWaalsContact O-OG 3.1Å; A161-S163 VanDerWaalsContact C-N 3.35Å |
| 164 | F | 43.8 | Very low | 56.6 | Low | 203 Ų | 203 | 117.9 Ų | 117.9 | 89% | 0.89 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 140 | 164.7 | -66.7 | -77.8 | 0 | 0 | 0 | 109.1 | N166 | F164-N166 PolarHBondContact O-N 2.83Å; F164-N166 VanDerWaalsContact O-N 3.15Å |
| 165 | I | 47.8 | Very low | 56.6 | Low | 156 Ų | 156 | 115.8 Ų | 115.8 | 80% | 0.8 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -57 | 122.1 | 169.3 | -58.6 | 168.5 | 0 | 0 | 0 | 106.4 | P167 | I165-P167 VanDerWaalsContact O-CD 3.32Å; I165-P167 WeakPolarHBondContact O-CD 3.34Å; I165-P167 VanDerWaalsContact O-N 3.13Å |
| 166 | N | 47.1 | Very low | 56.9 | Low | 124 Ų | 124 | 115.2 Ų | 115.2 | 66% | 0.663 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 119 | 173.7 | -95.2 | -2.5 | 0 | 0 | 0 | 107.4 | F164 E168 | F164-N166 PolarHBondContact O-N 2.83Å; F164-N166 VanDerWaalsContact O-N 3.15Å; N166-E168 PolarHBondContact O-N 2.99Å |
| 167 | P | 50.4 | Low | 57 | Low | 93 Ų | 93 | 117.2 Ų | 117.2 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 138.2 | 178.8 | 24.9 | -32 | 0 | 0 | 0 | 109 | I165 V169 | I165-P167 VanDerWaalsContact O-CD 3.32Å; I165-P167 WeakPolarHBondContact O-CD 3.34Å; I165-P167 VanDerWaalsContact O-N 3.13Å; P167-V169 PolarHBondContact O-N 3.4Å |
| 168 | E | 54.8 | Low | 57.3 | Low | 144 Ų | 144 | 111.9 Ų | 111.9 | 67% | 0.673 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 128.4 | 173.6 | -116.2 | 172.1 | 173.5 | 0 | 0 | 109 | N166 P170 L178 | N166-E168 PolarHBondContact O-N 2.99Å; E168-P170 WeakPolarHBondContact O-CD 3.4Å; E168-L178 HydrophobicContact CB-CD2 4.2Å |
| 169 | V | 60.4 | Low | 57.3 | Low | 103 Ų | 103 | 110 Ų | 110 | 62% | 0.624 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 127.6 | -179.8 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | P167 D171 N174 | P167-V169 PolarHBondContact O-N 3.4Å; V169-D171 PolarHBondContact O-N 2.77Å; V169-N174 PolarHBondContact O-ND2 2.84Å |
| 170 | P | 61.9 | Low | 57.6 | Low | 84 Ų | 84 | 110.3 Ų | 110.3 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 126.4 | 178.3 | -20.3 | 30.5 | 0 | 0 | 0 | 111.9 | E168 N174 F175 L178 | E168-P170 WeakPolarHBondContact O-CD 3.4Å; P170-N174 WeakPolarHBondContact CA-OD1 3.27Å; P170-F175 HydrophobicContact CB-CD2 4.19Å; P170-L178 HydrophobicContact CB-CD1 4.03Å; P170-L178 HydrophobicContact CG-CD1 4Å |
| 171 | D | 69.9 | Low | 57.8 | Low | 82 Ų | 82 | 112.1 Ų | 112.1 | 44% | 0.439 | 60% | 0.598 | S | S | . | * | trans | -124.1 | 171.2 | 168.8 | 72 | 30.5 | 0 | 0 | 0 | 110 | V169 N173 N174 F175 | V169-D171 PolarHBondContact O-N 2.77Å; D171-N173 PolarHBondContact O-N 2.72Å; D171-N173 WeakPolarHBondContact OD1-CA 3.29Å; D171-N173 WeakPolarHBondContact OD1-CB 3.07Å; D171-N173 PolarHBondContact OD1-N 3.13Å; D171-N174 PolarHBondContact N-OD1 3.18Å; D171-N174 PolarHBondContact O-N 3.15Å; D171-N174 PolarHBondContact O-OD1 3.43Å; D171-N174 VanDerWaalsContact OD1-CG 3.27Å; D171-N174 PolarHBondContact OD1-N 2.89Å; D171-N174 PolarHBondContact OD1-OD1 3.01Å; D171-F175 VanDerWaalsContact O-CB 3.3Å; D171-F175 WeakPolarHBondContact O-CB 3.28Å; D171-F175 PolarHBondContact O-N 2.03Å | ||
| 172 | E | 67.9 | Low | 57.5 | Low | 188 Ų | 188 | 111.7 Ų | 111.7 | 88% | 0.879 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -19.2 | -175.7 | -66.6 | -158.2 | 167.5 | 0 | 0 | 114.2 | ||
| 173 | N | 71.1 | Confident | 56.9 | Low | 149 Ų | 149 | 113.9 Ų | 113.9 | 80% | 0.797 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -27 | -177.8 | -61.4 | -47.4 | 0 | 0 | 0 | 112.8 | D171 | D171-N173 PolarHBondContact O-N 2.72Å; D171-N173 WeakPolarHBondContact OD1-CA 3.29Å; D171-N173 WeakPolarHBondContact OD1-CB 3.07Å; D171-N173 PolarHBondContact OD1-N 3.13Å |
| 174 | N | 66.7 | Low | 56.4 | Low | 25 Ų | 25 | 113 Ų | 113 | 13% | 0.134 | 61% | 0.605 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -102.2 | -11.6 | -178.8 | 74.9 | 18.4 | 0 | 0 | 0 | 112.7 | V169 P170 D171 D176 T177 L178 | V169-N174 PolarHBondContact O-ND2 2.84Å; P170-N174 WeakPolarHBondContact CA-OD1 3.27Å; D171-N174 PolarHBondContact N-OD1 3.18Å; D171-N174 PolarHBondContact O-N 3.15Å; D171-N174 PolarHBondContact O-OD1 3.43Å; D171-N174 VanDerWaalsContact OD1-CG 3.27Å; D171-N174 PolarHBondContact OD1-N 2.89Å; D171-N174 PolarHBondContact OD1-OD1 3.01Å; N174-D176 PolarHBondContact O-N 2.88Å; N174-T177 CarbonylContact O-C 3.58Å; N174-T177 WeakPolarHBondContact O-CB 3.09Å; N174-T177 PolarHBondContact O-N 2.77Å; N174-T177 VanDerWaalsContact O-N 3.08Å; N174-L178 HydrophobicContact CB-CD1 4.29Å; N174-L178 WeakPolarHBondContact O-CB 3.48Å; N174-L178 WeakPolarHBondContact O-CG 3.39Å; N174-L178 PolarHBondContact O-N 3.47Å; N174-L178 VanDerWaalsContact OD1-CD1 3.23Å; N174-L178 WeakPolarHBondContact OD1-CD1 3.24Å |
| 175 | F | 65.1 | Low | 55.8 | Low | 112 Ų | 112 | 114 Ų | 114 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -56.2 | -50.7 | -176.3 | -175.1 | -93.6 | 0 | 0 | 0 | 112.7 | P170 D171 T177 L178 M179 | P170-F175 HydrophobicContact CB-CD2 4.19Å; D171-F175 VanDerWaalsContact O-CB 3.3Å; D171-F175 WeakPolarHBondContact O-CB 3.28Å; D171-F175 PolarHBondContact O-N 2.03Å; F175-T177 PolarHBondContact O-N 2.89Å; F175-L178 PolarHBondContact O-N 3.15Å; F175-M179 VanDerWaalsContact O-CB 3.25Å; F175-M179 WeakPolarHBondContact O-CB 3.33Å; F175-M179 PolarHBondContact O-N 3.15Å |
| 176 | D | 67.5 | Low | 54.8 | Low | 115 Ų | 115 | 111.8 Ų | 111.8 | 62% | 0.615 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65 | -29.7 | 179.5 | -74.6 | -23.5 | 0 | 0 | 0 | 112.5 | N174 K180 | N174-D176 PolarHBondContact O-N 2.88Å; D176-K180 WeakPolarHBondContact O-CB 3.27Å; D176-K180 VanDerWaalsContact O-CG 3.26Å; D176-K180 WeakPolarHBondContact O-CG 3.48Å; D176-K180 PolarHBondContact O-N 3.25Å; D176-K180 VanDerWaalsContact O-N 3.16Å |
| 177 | T | 63.9 | Low | 54 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 53% | 0.528 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -76 | -46.7 | 178 | -46.2 | 0 | 0 | 0 | 0 | 109.9 | N174 F175 M179 K180 T181 | N174-T177 CarbonylContact O-C 3.58Å; N174-T177 WeakPolarHBondContact O-CB 3.09Å; N174-T177 PolarHBondContact O-N 2.77Å; N174-T177 VanDerWaalsContact O-N 3.08Å; F175-T177 PolarHBondContact O-N 2.89Å; T177-M179 VanDerWaalsContact C-N 3.31Å; T177-M179 PolarHBondContact O-N 3.2Å; T177-K180 PolarHBondContact O-N 3.48Å; T177-T181 WeakPolarHBondContact O-CB 3.44Å; T177-T181 PolarHBondContact O-N 3.32Å; T177-T181 PolarHBondContact O-OG1 3.16Å |
| 178 | L | 60.7 | Low | 53.1 | Low | 44 Ų | 44 | 117 Ų | 117 | 23% | 0.23 | 63% | 0.626 | C | S | . | * | H | α-helix | trans | -62.1 | -38.6 | 175 | -73.2 | 169.6 | 0 | 0 | 0 | 111.3 | E168 P170 N174 F175 K180 T181 S182 | E168-L178 HydrophobicContact CB-CD2 4.2Å; P170-L178 HydrophobicContact CB-CD1 4.03Å; P170-L178 HydrophobicContact CG-CD1 4Å; N174-L178 HydrophobicContact CB-CD1 4.29Å; N174-L178 WeakPolarHBondContact O-CB 3.48Å; N174-L178 WeakPolarHBondContact O-CG 3.39Å; N174-L178 PolarHBondContact O-N 3.47Å; N174-L178 VanDerWaalsContact OD1-CD1 3.23Å; N174-L178 WeakPolarHBondContact OD1-CD1 3.24Å; F175-L178 PolarHBondContact O-N 3.15Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 3.11Å; L178-T181 CarbonylContact O-C 3.52Å; L178-T181 PolarHBondContact O-N 3.1Å; L178-T181 VanDerWaalsContact O-N 3.07Å; L178-S182 VanDerWaalsContact O-CB 3.24Å; L178-S182 WeakPolarHBondContact O-CB 3.43Å; L178-S182 PolarHBondContact O-N 2.86Å; L178-S182 PolarHBondContact O-OG 3.15Å; L178-S182 VanDerWaalsContact O-OG 3.12Å |
| 179 | M | 56.7 | Low | 52 | Low | 118 Ų | 118 | 113.9 Ų | 113.9 | 58% | 0.581 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.5 | -27.6 | 179.4 | -150 | 61.8 | -166.3 | 0 | 0 | 113 | F175 T177 S182 | F175-M179 VanDerWaalsContact O-CB 3.25Å; F175-M179 WeakPolarHBondContact O-CB 3.33Å; F175-M179 PolarHBondContact O-N 3.15Å; T177-M179 VanDerWaalsContact C-N 3.31Å; T177-M179 PolarHBondContact O-N 3.2Å; M179-S182 WeakPolarHBondContact CA-OG 3.46Å; M179-S182 PolarHBondContact O-OG 2.93Å |
| 180 | K | 58 | Low | 50.8 | Low | 171 Ų | 171 | 116.2 Ų | 116.2 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76.2 | -22.8 | 167.2 | -76 | 173.3 | -178.5 | 172.8 | 0 | 113.3 | D176 T177 L178 | D176-K180 WeakPolarHBondContact O-CB 3.27Å; D176-K180 VanDerWaalsContact O-CG 3.26Å; D176-K180 WeakPolarHBondContact O-CG 3.48Å; D176-K180 PolarHBondContact O-N 3.25Å; D176-K180 VanDerWaalsContact O-N 3.16Å; T177-K180 PolarHBondContact O-N 3.48Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 3.11Å |
| 181 | T | 51.5 | Low | 49.3 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 66% | 0.663 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -93.3 | -21.1 | -179.2 | -41.9 | 0 | 0 | 0 | 0 | 111.5 | T177 L178 D183 | T177-T181 WeakPolarHBondContact O-CB 3.44Å; T177-T181 PolarHBondContact O-N 3.32Å; T177-T181 PolarHBondContact O-OG1 3.16Å; L178-T181 CarbonylContact O-C 3.52Å; L178-T181 PolarHBondContact O-N 3.1Å; L178-T181 VanDerWaalsContact O-N 3.07Å; T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 PolarHBondContact O-N 3.29Å; T181-D183 VanDerWaalsContact O-N 3.17Å |
| 182 | S | 46 | Very low | 47.5 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 46% | 0.455 | 66% | 0.658 | S | S | . | * | trans | -86.8 | 42.7 | -179.5 | 67 | 0 | 0 | 0 | 0 | 113.6 | L178 M179 G184 | L178-S182 VanDerWaalsContact O-CB 3.24Å; L178-S182 WeakPolarHBondContact O-CB 3.43Å; L178-S182 PolarHBondContact O-N 2.86Å; L178-S182 PolarHBondContact O-OG 3.15Å; L178-S182 VanDerWaalsContact O-OG 3.12Å; M179-S182 WeakPolarHBondContact CA-OG 3.46Å; M179-S182 PolarHBondContact O-OG 2.93Å; S182-G184 PolarHBondContact O-N 2.82Å | ||
| 183 | D | 37.1 | Very low | 45.6 | Very low | 146 Ų | 146 | 120 Ų | 120 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -79.9 | 75.3 | 165.3 | -89 | -26 | 0 | 0 | 0 | 109.5 | T181 | T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 PolarHBondContact O-N 3.29Å; T181-D183 VanDerWaalsContact O-N 3.17Å |
| 184 | G | 36.3 | Very low | 43.5 | Very low | 56 Ų | 56 | 118.4 Ų | 118.4 | 58% | 0.577 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 81.9 | 146.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S182 T186 | S182-G184 PolarHBondContact O-N 2.82Å; G184-T186 VanDerWaalsContact C-N 3.34Å; G184-T186 PolarHBondContact O-N 3.22Å |
| 185 | F | 30.7 | Very low | 41.7 | Very low | 224 Ų | 224 | 125.8 Ų | 125.8 | 98% | 0.982 | 68% | 0.68 | S | S | * | * | trans | -59.4 | 94.4 | 169.1 | -74.1 | -91.7 | 0 | 0 | 0 | 110.1 | ||||
| 186 | T | 26.7 | Very low | 39.8 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | trans | -82.1 | 111.4 | 167.5 | 46 | 0 | 0 | 0 | 0 | 109.2 | G184 N188 | G184-T186 VanDerWaalsContact C-N 3.34Å; G184-T186 PolarHBondContact O-N 3.22Å; T186-N188 PolarHBondContact O-N 2.9Å | ||
| 187 | L | 30.9 | Very low | 38.1 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 88% | 0.88 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -63.8 | 111.8 | 158 | -75.6 | 162.7 | 0 | 0 | 0 | 107.8 | ||
| 188 | N | 30.9 | Very low | 36.4 | Very low | 158 Ų | 158 | 132 Ų | 132 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | trans | 52.6 | 75.5 | 164.7 | -57.7 | -8.2 | 0 | 0 | 0 | 116.4 | T186 | T186-N188 PolarHBondContact O-N 2.9Š| ||
| 189 | A | 32.5 | Very low | 35.3 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | trans | -112.5 | 109.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | S191 | A189-S191 PolarHBondContact O-N 2.78Å; A189-S191 VanDerWaalsContact O-N 3.16Å | ||
| 190 | E | 33.7 | Very low | 34.1 | Very low | 153 Ų | 153 | 137 Ų | 137 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | trans | -59.4 | 115.5 | 171.9 | -69.3 | 179.6 | 153.1 | 0 | 0 | 108.8 | Y192 | E190-Y192 PolarHBondContact O-N 2.83Å; E190-Y192 VanDerWaalsContact O-N 3.11Å | ||
| 191 | S | 30.9 | Very low | 33.4 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -68.3 | 106.9 | 172.6 | 40.1 | 0 | 0 | 0 | 0 | 109 | A189 V193 | A189-S191 PolarHBondContact O-N 2.78Å; A189-S191 VanDerWaalsContact O-N 3.16Å; S191-V193 PolarHBondContact O-N 3.48Å; S191-V193 VanDerWaalsContact O-N 3.16Å | ||
| 192 | Y | 32.2 | Very low | 32.9 | Very low | 211 Ų | 211 | 135.4 Ų | 135.4 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | trans | -59 | 116.8 | 167.8 | -85.2 | -99.5 | 0 | 0 | 0 | 109.2 | E190 S194 | E190-Y192 PolarHBondContact O-N 2.83Å; E190-Y192 VanDerWaalsContact O-N 3.11Å; Y192-S194 PolarHBondContact O-N 3.32Å; Y192-S194 VanDerWaalsContact O-N 3.1Å | ||
| 193 | V | 29.2 | Very low | 33.1 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -54.2 | 116.1 | 164.9 | 179.2 | 0 | 0 | 0 | 0 | 107.6 | S191 F195 | S191-V193 PolarHBondContact O-N 3.48Å; S191-V193 VanDerWaalsContact O-N 3.16Å; V193-F195 PolarHBondContact O-N 3.3Å | ||
| 194 | S | 25.8 | Very low | 34 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -66 | 100.8 | 175 | -64.3 | 0 | 0 | 0 | 0 | 108.8 | Y192 T196 | Y192-S194 PolarHBondContact O-N 3.32Å; Y192-S194 VanDerWaalsContact O-N 3.1Å; S194-T196 PolarHBondContact O-N 3.22Å | ||
| 195 | F | 29 | Very low | 35.7 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -72.1 | 110.2 | 163 | -81.8 | -86.7 | 0 | 0 | 0 | 107.5 | V193 T197 | V193-F195 PolarHBondContact O-N 3.3Å; F195-T197 PolarHBondContact O-N 3.45Å; F195-T197 VanDerWaalsContact O-N 3.08Å | ||
| 196 | T | 26.2 | Very low | 38.2 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | trans | -47.6 | 117.8 | 164.7 | 44.2 | 0 | 0 | 0 | 0 | 108.8 | S194 K198 | S194-T196 PolarHBondContact O-N 3.22Å; T196-K198 PolarHBondContact O-N 3.16Å | ||
| 197 | T | 32.1 | Very low | 40.9 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 84% | 0.84 | 69% | 0.685 | S | S | * | * | trans | -55.6 | 99.7 | 173.8 | 29.7 | 0 | 0 | 0 | 0 | 109.6 | F195 L199 | F195-T197 PolarHBondContact O-N 3.45Å; F195-T197 VanDerWaalsContact O-N 3.08Å; T197-L199 PolarHBondContact O-N 2.97Å | ||
| 198 | K | 27.7 | Very low | 43.2 | Very low | 174 Ų | 174 | 120.7 Ų | 120.7 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | trans | -78.6 | 108 | 157.6 | -145.8 | -175.1 | -177.3 | -155.2 | 0 | 106.3 | T196 D200 | T196-K198 PolarHBondContact O-N 3.16Å; K198-D200 IonicContact NZ-OD2 2.7Å; K198-D200 PolarHBondContact O-N 3.35Å | ||
| 199 | L | 38.3 | Very low | 45.5 | Very low | 153 Ų | 153 | 120.1 Ų | 120.1 | 80% | 0.801 | 66% | 0.655 | S | S | * | * | trans | -72.8 | 74.6 | 175.8 | -149.7 | 130.1 | 0 | 0 | 0 | 108.1 | T197 | T197-L199 PolarHBondContact O-N 2.97Š| ||
| 200 | D | 30.5 | Very low | 47.4 | Very low | 114 Ų | 114 | 118 Ų | 118 | 61% | 0.61 | 64% | 0.64 | S | S | * | * | trans | -108 | 123.3 | 160.2 | -75.6 | -42.4 | 0 | 0 | 0 | 105.2 | K198 P202 | K198-D200 IonicContact NZ-OD2 2.7Å; K198-D200 PolarHBondContact O-N 3.35Å; D200-P202 WeakPolarHBondContact O-CD 3.37Å | ||
| 201 | I | 43.9 | Very low | 49.7 | Very low | 145 Ų | 145 | 113.3 Ų | 113.3 | 74% | 0.744 | 62% | 0.622 | S | S | * | * | trans | -89.6 | 103.8 | 174.3 | -62.3 | 164.2 | 0 | 0 | 0 | 106.5 | ||||
| 202 | P | 40.3 | Very low | 52.5 | Low | 101 Ų | 101 | 110.8 Ų | 110.8 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | trans | -87.8 | 125.9 | 148.6 | 16.6 | -0.5 | 0 | 0 | 0 | 107 | D200 A204 | D200-P202 WeakPolarHBondContact O-CD 3.37Å; P202-A204 PolarHBondContact O-N 3.33Å | ||
| 203 | T | 51.1 | Low | 55.3 | Low | 127 Ų | 127 | 100.8 Ų | 100.8 | 78% | 0.779 | 56% | 0.564 | S | S | * | * | trans | -50.3 | 94.9 | 156.7 | 31.8 | 0 | 0 | 0 | 0 | 108.1 | A205 | T203-A205 PolarHBondContact O-N 3Å; T203-A205 VanDerWaalsContact O-N 3.11Å | ||
| 204 | A | 54.2 | Low | 58.3 | Low | 36 Ų | 36 | 97.8 Ų | 97.8 | 30% | 0.298 | 54% | 0.542 | S | S | . | . | trans | -73.9 | 106.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | P202 K206 P276 | P202-A204 PolarHBondContact O-N 3.33Å; A204-K206 PolarHBondContact O-N 3.42Å; A204-P276 HydrophobicContact CB-CB 4.32Å; A204-P276 HydrophobicContact CB-CG 4.26Å | ||
| 205 | A | 72.3 | Confident | 61.3 | Low | 81 Ų | 81 | 93 Ų | 93 | 67% | 0.669 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -69.6 | 6.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T203 | T203-A205 PolarHBondContact O-N 3Å; T203-A205 VanDerWaalsContact O-N 3.11Å |
| 206 | K | 83.1 | Confident | 63.8 | Low | 102 Ų | 102 | 87 Ų | 87 | 44% | 0.443 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -156.7 | 156 | -176.1 | 63 | 178.1 | -176.1 | 175.7 | 0 | 111.4 | A204 P276 A336 | A204-K206 PolarHBondContact O-N 3.42Å; K206-P276 VanDerWaalsContact C-CD 3.5Å; K206-P276 WeakPolarHBondContact O-CD 3.4Å; K206-P276 WeakPolarHBondContact O-CG 3.32Å; K206-A336 WeakPolarHBondContact CB-O 3.08Å |
| 207 | Y | 84 | Confident | 66.4 | Low | 5 Ų | 5 | 88.2 Ų | 88.2 | 2% | 0.02 | 49% | 0.49 | C | S | . | . | trans | -78.9 | 138 | 164 | -74.6 | -80.2 | 0 | 0 | 0 | 110.7 | L213 Q214 F239 L273 P276 G337 V339 | Y207-L213 HydrophobicContact CD1-CD2 4.43Å; Y207-L213 HydrophobicContact CE1-CD2 4.24Å; Y207-L213 HydrophobicContact CE2-CD2 4.37Å; Y207-Q214 PolarHBondContact OH-N 2.91Å; Y207-Q214 VanDerWaalsContact OH-N 3.1Å; Y207-F239 HydrophobicContact CD1-CB 4.45Å; Y207-F239 HydrophobicContact CG-CB 4.47Å; Y207-F239 HydrophobicContact CG-CD1 4.45Å; Y207-F239 HydrophobicContact CG-CD2 4.38Å; Y207-F239 HydrophobicContact CG-CG 4.2Å; Y207-F239 WeakPolarHBondContact O-CE1 3.37Å; Y207-L273 WeakPolarHBondContact CE2-O 2.89Å; Y207-L273 PolarHBondContact OH-O 2.79Å; Y207-P276 HydrophobicContact CD1-CG 3.75Å; Y207-P276 HydrophobicContact CE1-CG 3.82Å; Y207-P276 HydrophobicContact CG-CG 4.11Å; Y207-G337 PolarHBondContact N-O 2.77Å; Y207-V339 HydrophobicContact CD2-CG2 4.03Å; Y207-V339 HydrophobicContact CE2-CG2 4.06Å | ||
| 208 | E | 79.1 | Confident | 69.1 | Low | 109 Ų | 109 | 83.8 Ų | 83.8 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | trans | -104.1 | 155.6 | 173.3 | -59.2 | -169.3 | 161.7 | 0 | 0 | 110.4 | G210 V211 | E208-G210 PolarHBondContact O-N 2.89Å; E208-V211 HydrophobicContact CB-CG2 3.89Å; E208-V211 WeakPolarHBondContact O-CB 3.34Å; E208-V211 WeakPolarHBondContact O-CG2 3.3Å; E208-V211 PolarHBondContact O-N 3.31Å; E208-V211 VanDerWaalsContact O-N 3.11Å | ||
| 209 | Y | 79.7 | Confident | 72.1 | Confident | 146 Ų | 146 | 78.5 Ų | 78.5 | 57% | 0.573 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 131.8 | 179.3 | 176.3 | -87.1 | 0 | 0 | 0 | 110.7 | V211 L240 V241 | Y209-V211 VanDerWaalsContact C-N 3.26Å; Y209-V211 PolarHBondContact O-N 3.39Å; Y209-L240 HydrophobicContact CD2-CB 3.66Å; Y209-L240 HydrophobicContact CE2-CB 4.27Å; Y209-L240 WeakPolarHBondContact CE2-O 3.49Å; Y209-V241 HydrophobicContact CE1-CG2 4.44Å; Y209-V241 HydrophobicContact CE2-CG2 4.16Å |
| 210 | G | 71.8 | Confident | 74.7 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -10.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E208 A238 F239 | E208-G210 PolarHBondContact O-N 2.89Å; G210-A238 WeakPolarHBondContact O-CB 3.21Å; G210-F239 PolarHBondContact N-O 3Å |
| 211 | V | 82.3 | Confident | 77.6 | Confident | 54 Ų | 54 | 70.3 Ų | 70.3 | 33% | 0.327 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 134.4 | 179 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | E208 Y209 L213 F239 | E208-V211 HydrophobicContact CB-CG2 3.89Å; E208-V211 WeakPolarHBondContact O-CB 3.34Å; E208-V211 WeakPolarHBondContact O-CG2 3.3Å; E208-V211 PolarHBondContact O-N 3.31Å; E208-V211 VanDerWaalsContact O-N 3.11Å; Y209-V211 VanDerWaalsContact C-N 3.26Å; Y209-V211 PolarHBondContact O-N 3.39Å; V211-L213 PolarHBondContact O-N 3.42Å; V211-F239 WeakPolarHBondContact O-CB 3.38Å; V211-F239 PolarHBondContact O-N 3.38Å |
| 212 | P | 88.8 | Confident | 79.9 | Confident | 58 Ų | 58 | 63.4 Ų | 63.4 | 38% | 0.377 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -55.2 | 131.1 | 175.1 | -28.7 | 36.9 | 0 | 0 | 0 | 113 | Q214 F219 P236 A237 | P212-Q214 PolarHBondContact O-N 2.94Å; P212-F219 HydrophobicContact CB-CB 4.38Å; P212-P236 HydrophobicContact CB-CB 4.01Å; P212-P236 HydrophobicContact CG-CB 4.26Å; P212-A237 CarbonylContact C-O 3.52Å; P212-A237 WeakPolarHBondContact CA-O 3.01Å |
| 213 | L | 91.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 120.7 | 170.7 | -74.5 | 167.8 | 0 | 0 | 0 | 109.3 | Y207 V211 F219 L220 A237 F239 I272 L331 V339 I364 F366 | Y207-L213 HydrophobicContact CD1-CD2 4.43Å; Y207-L213 HydrophobicContact CE1-CD2 4.24Å; Y207-L213 HydrophobicContact CE2-CD2 4.37Å; V211-L213 PolarHBondContact O-N 3.42Å; L213-F219 CarbonylContact O-C 3.53Å; L213-F219 WeakPolarHBondContact O-CA 3.34Å; L213-F219 VanDerWaalsContact O-CB 3.27Å; L213-F219 WeakPolarHBondContact O-CB 3.44Å; L213-L220 HydrophobicContact CB-CB 3.89Å; L213-L220 HydrophobicContact CD1-CD2 3.74Å; L213-L220 PolarHBondContact O-N 2.9Å; L213-A237 HydrophobicContact CD1-CB 4.11Å; L213-A237 PolarHBondContact N-O 3.03Å; L213-F239 HydrophobicContact CD2-CB 4.29Å; L213-F239 HydrophobicContact CD2-CD2 3.95Å; L213-I272 HydrophobicContact CD2-CG2 4.32Å; L213-L331 HydrophobicContact CD1-CD2 3.49Å; L213-L331 VanDerWaalsContact CD1-CD2 3.49Å; L213-L331 HydrophobicContact CD2-CD2 4.34Å; L213-V339 HydrophobicContact CD2-CG2 3.91Å; L213-I364 HydrophobicContact CD1-CD1 4.44Å; L213-F366 HydrophobicContact CD1-CE1 4.02Å; L213-F366 HydrophobicContact CD1-CZ 3.98Å |
| 214 | Q | 91.8 | Very high | 84 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 24% | 0.238 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 145.8 | -177.8 | -67.2 | -178.4 | -17.2 | 0 | 0 | 111.3 | Y207 P212 L273 P276 | Y207-Q214 PolarHBondContact OH-N 2.91Å; Y207-Q214 VanDerWaalsContact OH-N 3.1Å; P212-Q214 PolarHBondContact O-N 2.94Å; Q214-L273 HydrophobicContact CB-CB 4.38Å; Q214-L273 HydrophobicContact CB-CD1 3.84Å; Q214-L273 HydrophobicContact CB-CG 4.13Å; Q214-L273 PolarHBondContact O-N 2.93Å; Q214-P276 VanDerWaalsContact OE1-CA 3.3Å |
| 215 | T | 90.1 | Very high | 85.3 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 9% | 0.086 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -121.3 | 171.9 | 169.9 | 59.2 | 0 | 0 | 0 | 0 | 109.3 | D217 S218 F219 L220 P270 E271 | T215-D217 PolarHBondContact O-N 2.83Å; T215-D217 VanDerWaalsContact O-N 3.15Å; T215-S218 PolarHBondContact N-O 2.7Å; T215-S218 PolarHBondContact O-N 2.85Å; T215-S218 PolarHBondContact OG1-N 2.98Å; T215-F219 PolarHBondContact OG1-N 2.81Å; T215-F219 PolarHBondContact OG1-O 3.31Å; T215-L220 HydrophobicContact CG2-CB 4.19Å; T215-P270 HydrophobicContact CG2-CB 4.04Å; T215-E271 WeakPolarHBondContact CA-O 3.34Å |
| 216 | S | 82.3 | Confident | 85.3 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 38% | 0.378 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -54.7 | -34.1 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 113.5 | K281 | S216-K281 VanDerWaalsContact OG-CE 3.3Å; S216-K281 WeakPolarHBondContact OG-CE 3.38Å; S216-K281 PolarHBondContact OG-NZ 3.37Å |
| 217 | D | 80.9 | Confident | 84.4 | Confident | 158 Ų | 158 | 56.5 Ų | 56.5 | 85% | 0.845 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -106.8 | -21.6 | -173.1 | -52 | -43 | 0 | 0 | 0 | 112.8 | T215 | T215-D217 PolarHBondContact O-N 2.83Å; T215-D217 VanDerWaalsContact O-N 3.15Å |
| 218 | S | 87.5 | Confident | 84 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 30% | 0.301 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -170.5 | -107.3 | 179 | 54 | 0 | 0 | 0 | 0 | 111.6 | T215 | T215-S218 PolarHBondContact N-O 2.7Å; T215-S218 PolarHBondContact O-N 2.85Å; T215-S218 PolarHBondContact OG1-N 2.98Å |
| 219 | F | 91.2 | Very high | 84 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -133 | 165.1 | 179 | 49.5 | -99.6 | 0 | 0 | 0 | 110 | P212 L213 T215 R221 N234 P236 | P212-F219 HydrophobicContact CB-CB 4.38Å; L213-F219 CarbonylContact O-C 3.53Å; L213-F219 WeakPolarHBondContact O-CA 3.34Å; L213-F219 VanDerWaalsContact O-CB 3.27Å; L213-F219 WeakPolarHBondContact O-CB 3.44Å; T215-F219 PolarHBondContact OG1-N 2.81Å; T215-F219 PolarHBondContact OG1-O 3.31Å; F219-R221 HydrophobicContact CD2-CG 4.32Å; F219-R221 HydrophobicContact CE2-CG 4.15Å; F219-R221 PolarHBondContact O-N 3.16Å; F219-N234 VanDerWaalsContact CE2-O 3.25Å; F219-N234 WeakPolarHBondContact CE2-O 3.23Å; F219-N234 VanDerWaalsContact CZ-O 3.28Å; F219-N234 WeakPolarHBondContact CZ-O 3.49Å; F219-P236 HydrophobicContact CB-CB 4.37Å; F219-P236 HydrophobicContact CD1-CB 4.45Å; F219-P236 HydrophobicContact CD2-CB 3.53Å; F219-P236 HydrophobicContact CE2-CB 3.8Å; F219-P236 HydrophobicContact CE2-CG 4.49Å; F219-P236 HydrophobicContact CG-CB 3.87Å; F219-P236 HydrophobicContact CZ-CB 4.38Å |
| 220 | L | 92.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -69.2 | 118.4 | 173 | -178.8 | 68.1 | 0 | 0 | 0 | 108.4 | L213 T215 A237 P270 I272 I284 Y329 I364 | L213-L220 HydrophobicContact CB-CB 3.89Å; L213-L220 HydrophobicContact CD1-CD2 3.74Å; L213-L220 PolarHBondContact O-N 2.9Å; T215-L220 HydrophobicContact CG2-CB 4.19Å; L220-A237 HydrophobicContact CB-CB 4.06Å; L220-A237 HydrophobicContact CD2-CB 3.87Å; L220-A237 HydrophobicContact CG-CB 4.05Å; L220-A237 WeakPolarHBondContact O-CB 3.31Å; L220-A237 PolarHBondContact O-N 2.86Å; L220-P270 HydrophobicContact CD1-CB 4.49Å; L220-I272 HydrophobicContact CD1-CD1 4.2Å; L220-I272 HydrophobicContact CD1-CG1 4.25Å; L220-I272 HydrophobicContact CD2-CD1 3.83Å; L220-I284 HydrophobicContact CD1-CD1 3.91Å; L220-Y329 HydrophobicContact CD1-CE1 4.24Å; L220-I364 HydrophobicContact CD2-CD1 4.33Å | ||
| 221 | R | 91.3 | Very high | 85 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 36% | 0.362 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -80.6 | 126 | -179.4 | -66.9 | -176.5 | -166.9 | -154.3 | 9.9 | 110.2 | F219 D233 N234 | F219-R221 HydrophobicContact CD2-CG 4.32Å; F219-R221 HydrophobicContact CE2-CG 4.15Å; F219-R221 PolarHBondContact O-N 3.16Å; R221-D233 WeakPolarHBondContact CB-O 3.29Å; R221-N234 PolarHBondContact NH1-OD1 2.79Å |
| 222 | F | 91.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -131 | 94.3 | 179.6 | -177.3 | -100.7 | 0 | 0 | 0 | 109.7 | S224 N235 A237 Q243 V245 Y329 F362 I364 | F222-S224 PolarHBondContact O-N 3.05Å; F222-N235 PolarHBondContact N-O 3.42Å; F222-N235 VanDerWaalsContact O-CB 3.28Å; F222-N235 WeakPolarHBondContact O-CB 3.28Å; F222-N235 PolarHBondContact O-ND2 3.39Å; F222-A237 HydrophobicContact CB-CB 3.85Å; F222-Q243 HydrophobicContact CE1-CB 3.88Å; F222-Q243 HydrophobicContact CZ-CB 4.14Å; F222-V245 HydrophobicContact CE1-CG1 4.32Å; F222-V245 HydrophobicContact CE1-CG2 3.63Å; F222-V245 HydrophobicContact CZ-CG2 3.92Å; F222-Y329 HydrophobicContact CD2-CD2 4Å; F222-Y329 HydrophobicContact CD2-CE2 4.11Å; F222-Y329 HydrophobicContact CE2-CD2 4.25Å; F222-F362 HydrophobicContact CD2-CB 4.38Å; F222-F362 HydrophobicContact CE1-CB 4.43Å; F222-F362 HydrophobicContact CE2-CB 3.67Å; F222-F362 HydrophobicContact CZ-CB 3.71Å; F222-I364 HydrophobicContact CD2-CB 4.15Å; F222-I364 HydrophobicContact CD2-CG2 4.16Å; F222-I364 HydrophobicContact CE1-CG2 4.21Å; F222-I364 HydrophobicContact CE2-CB 3.73Å; F222-I364 HydrophobicContact CE2-CG2 3.72Å; F222-I364 HydrophobicContact CZ-CB 4.23Å; F222-I364 HydrophobicContact CZ-CG2 3.75Å | ||
| 223 | P | 91.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -57.4 | 137.9 | -174.6 | -24.5 | 32.8 | 0 | 0 | 0 | 113.2 | T232 D233 V245 Y267 F362 | P223-T232 WeakPolarHBondContact CA-O 3.21Å; P223-D233 HydrophobicContact CG-CB 4.48Å; P223-V245 VanDerWaalsContact O-CG2 3.29Å; P223-V245 WeakPolarHBondContact O-CG2 2.83Å; P223-Y267 HydrophobicContact CG-CE1 3.83Å; P223-F362 HydrophobicContact CB-CD1 4.36Å; P223-F362 HydrophobicContact CB-CD2 4.12Å; P223-F362 HydrophobicContact CB-CE1 4.13Å; P223-F362 HydrophobicContact CB-CE2 3.85Å; P223-F362 HydrophobicContact CB-CG 4.38Å; P223-F362 HydrophobicContact CB-CZ 3.86Å; P223-F362 HydrophobicContact CG-CD1 4.17Å; P223-F362 HydrophobicContact CG-CE1 3.83Å; P223-F362 HydrophobicContact CG-CE2 4.44Å; P223-F362 HydrophobicContact CG-CZ 3.97Å | ||
| 224 | S | 87.2 | Confident | 85.1 | Confident | 13 Ų | 13 | 56.1 Ų | 56.1 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 158.9 | 179.3 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | F222 L226 T232 | F222-S224 PolarHBondContact O-N 3.05Å; S224-L226 PolarHBondContact O-N 3.05Å; S224-T232 PolarHBondContact N-O 3.3Å; S224-T232 PolarHBondContact O-N 3.15Å |
| 225 | S | 80.1 | Confident | 84.9 | Confident | 46 Ų | 46 | 55 Ų | 55 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 101.7 | 167.5 | 56 | 0 | 0 | 0 | 0 | 108.6 | S228 K246 | S225-S228 WeakPolarHBondContact CA-O 3.39Å; S225-S228 VanDerWaalsContact CB-O 3.25Å; S225-S228 WeakPolarHBondContact CB-O 3.26Å; S225-K246 PolarHBondContact OG-O 2.76Å |
| 226 | L | 72.1 | Confident | 84.8 | Confident | 97 Ų | 97 | 56.6 Ų | 56.6 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -83.4 | -95.3 | 177.9 | -61.6 | 178.2 | 0 | 0 | 0 | 110.1 | S224 T232 | S224-L226 PolarHBondContact O-N 3.05Å; L226-T232 HydrophobicContact CD1-CG2 3.92Å |
| 227 | T | 64.8 | Low | 85.1 | Confident | 146 Ų | 146 | 54 Ų | 54 | 90% | 0.896 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -85.5 | -8.3 | -176.6 | 54 | 0 | 0 | 0 | 0 | 114.1 | ||
| 228 | S | 75.4 | Confident | 85.3 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -143 | 170.8 | 178.7 | 70.9 | 0 | 0 | 0 | 0 | 109.9 | S225 L230 | S225-S228 WeakPolarHBondContact CA-O 3.39Å; S225-S228 VanDerWaalsContact CB-O 3.25Å; S225-S228 WeakPolarHBondContact CB-O 3.26Å; S228-L230 PolarHBondContact O-N 2.78Å; S228-L230 VanDerWaalsContact O-N 3.13Å; S228-L230 WeakPolarHBondContact OG-CB 3.24Å; S228-L230 PolarHBondContact OG-N 3.11Å |
| 229 | S | 80.5 | Confident | 85.3 | Confident | 85 Ų | 85 | 45.4 Ų | 45.4 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -67.9 | -3.6 | 171.4 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | T248 | S229-T248 WeakPolarHBondContact O-CB 3.47Å; S229-T248 PolarHBondContact O-N 3.42Å |
| 230 | L | 84.6 | Confident | 84.8 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 34% | 0.34 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -79.8 | 141.2 | 179.6 | -66.5 | 161.9 | 0 | 0 | 0 | 112.2 | S228 T232 T248 K250 | S228-L230 PolarHBondContact O-N 2.78Å; S228-L230 VanDerWaalsContact O-N 3.13Å; S228-L230 WeakPolarHBondContact OG-CB 3.24Å; S228-L230 PolarHBondContact OG-N 3.11Å; L230-T232 PolarHBondContact O-N 2.84Å; L230-T248 CarbonylContact C-O 3.45Å; L230-T248 WeakPolarHBondContact CA-O 3.46Å; L230-K250 HydrophobicContact CD2-CD 4.38Å; L230-K250 HydrophobicContact CD2-CG 4.06Å |
| 231 | C | 87.3 | Confident | 84.2 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 14% | 0.135 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 126.5 | 174.8 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | C247 T248 | C231-C247 WeakPolarHBondContact CA-SG 3.47Å; C231-C247 HydrophobicContact CB-CB 3.91Å; C231-C247 WeakPolarHBondContact CB-SG 3.09Å; C231-C247 WeakPolarHBondContact SG-CB 3.4Å; C231-C247 CovalentContact SG-SG 2.03Å; C231-C247 PolarHBondContact SG-SG 3.26Å; C231-T248 PolarHBondContact N-O 2.69Å |
| 232 | T | 89.8 | Confident | 83.6 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 32% | 0.319 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.3 | 167.9 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | P223 S224 L226 L230 N234 | P223-T232 WeakPolarHBondContact CA-O 3.21Å; S224-T232 PolarHBondContact N-O 3.3Å; S224-T232 PolarHBondContact O-N 3.15Å; L226-T232 HydrophobicContact CD1-CG2 3.92Å; L230-T232 PolarHBondContact O-N 2.84Å; T232-N234 VanDerWaalsContact C-N 3.35Å; T232-N234 PolarHBondContact O-N 2.85Å |
| 233 | D | 88.4 | Confident | 83 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -18.4 | -171.1 | -55.8 | -37.9 | 0 | 0 | 0 | 113.9 | R221 P223 N235 R249 F266 | R221-D233 WeakPolarHBondContact CB-O 3.29Å; P223-D233 HydrophobicContact CG-CB 4.48Å; D233-N235 VanDerWaalsContact C-N 3.28Å; D233-N235 PolarHBondContact O-N 2.8Å; D233-R249 IonicContact OD1-CZ 3.95Å; D233-R249 IonicContact OD1-NH1 2.8Å; D233-R249 PolarHBondContact OD1-NH1 3.14Å; D233-R249 IonicContact OD1-NH2 3.48Å; D233-R249 IonicContact OD2-CZ 2.69Å; D233-R249 IonicContact OD2-NH1 2.7Å; D233-R249 PolarHBondContact OD2-NH1 2.99Å; D233-R249 IonicContact OD2-NH2 3.84Å; D233-R249 PolarHBondContact OD2-NH2 2.79Å; D233-F266 HydrophobicContact CB-CE1 4.32Å; D233-F266 HydrophobicContact CB-CZ 3.95Å |
| 234 | N | 85.6 | Confident | 82.8 | Confident | 95 Ų | 95 | 51.9 Ų | 51.9 | 51% | 0.508 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 17.4 | -177.3 | -67.6 | -21.2 | 0 | 0 | 0 | 113.9 | F219 R221 T232 | F219-N234 VanDerWaalsContact CE2-O 3.25Å; F219-N234 WeakPolarHBondContact CE2-O 3.23Å; F219-N234 VanDerWaalsContact CZ-O 3.28Å; F219-N234 WeakPolarHBondContact CZ-O 3.49Å; R221-N234 PolarHBondContact NH1-OD1 2.79Å; T232-N234 VanDerWaalsContact C-N 3.35Å; T232-N234 PolarHBondContact O-N 2.85Å |
| 235 | N | 87.6 | Confident | 82.6 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 125.5 | 178 | 174.7 | 56.4 | 0 | 0 | 0 | 110.3 | F222 D233 | F222-N235 PolarHBondContact N-O 3.42Å; F222-N235 VanDerWaalsContact O-CB 3.28Å; F222-N235 WeakPolarHBondContact O-CB 3.28Å; F222-N235 PolarHBondContact O-ND2 3.39Å; D233-N235 VanDerWaalsContact C-N 3.28Å; D233-N235 PolarHBondContact O-N 2.8Å |
| 236 | P | 89.1 | Confident | 83.1 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 31% | 0.305 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -74.4 | 135.3 | -178.7 | 27.2 | -32.9 | 0 | 0 | 0 | 112.6 | P212 F219 A238 | P212-P236 HydrophobicContact CB-CB 4.01Å; P212-P236 HydrophobicContact CG-CB 4.26Å; F219-P236 HydrophobicContact CB-CB 4.37Å; F219-P236 HydrophobicContact CD1-CB 4.45Å; F219-P236 HydrophobicContact CD2-CB 3.53Å; F219-P236 HydrophobicContact CE2-CB 3.8Å; F219-P236 HydrophobicContact CE2-CG 4.49Å; F219-P236 HydrophobicContact CG-CB 3.87Å; F219-P236 HydrophobicContact CZ-CB 4.38Å; P236-A238 PolarHBondContact O-N 3.19Å |
| 237 | A | 87.6 | Confident | 83.9 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 120.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P212 L213 L220 F222 I364 | P212-A237 CarbonylContact C-O 3.52Å; P212-A237 WeakPolarHBondContact CA-O 3.01Å; L213-A237 HydrophobicContact CD1-CB 4.11Å; L213-A237 PolarHBondContact N-O 3.03Å; L220-A237 HydrophobicContact CB-CB 4.06Å; L220-A237 HydrophobicContact CD2-CB 3.87Å; L220-A237 HydrophobicContact CG-CB 4.05Å; L220-A237 WeakPolarHBondContact O-CB 3.31Å; L220-A237 PolarHBondContact O-N 2.86Å; F222-A237 HydrophobicContact CB-CB 3.85Å; A237-I364 HydrophobicContact CB-CD1 3.95Å |
| 238 | A | 85.9 | Confident | 85.1 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -89.8 | 137.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G210 P236 V241 F366 | G210-A238 WeakPolarHBondContact O-CB 3.21Å; P236-A238 PolarHBondContact O-N 3.19Å; A238-V241 HydrophobicContact CB-CB 4.04Å; A238-V241 HydrophobicContact CB-CG2 3.63Å; A238-V241 PolarHBondContact O-N 2.88Å; A238-F366 WeakPolarHBondContact O-CE2 3.13Å; A238-F366 VanDerWaalsContact O-CZ 3.24Å; A238-F366 WeakPolarHBondContact O-CZ 3.05Å |
| 239 | F | 87.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 134.3 | 179.5 | -176.8 | -115.4 | 0 | 0 | 0 | 111.6 | Y207 G210 V211 L213 V241 Y333 V339 F366 | Y207-F239 HydrophobicContact CD1-CB 4.45Å; Y207-F239 HydrophobicContact CG-CB 4.47Å; Y207-F239 HydrophobicContact CG-CD1 4.45Å; Y207-F239 HydrophobicContact CG-CD2 4.38Å; Y207-F239 HydrophobicContact CG-CG 4.2Å; Y207-F239 WeakPolarHBondContact O-CE1 3.37Å; G210-F239 PolarHBondContact N-O 3Å; V211-F239 WeakPolarHBondContact O-CB 3.38Å; V211-F239 PolarHBondContact O-N 3.38Å; L213-F239 HydrophobicContact CD2-CB 4.29Å; L213-F239 HydrophobicContact CD2-CD2 3.95Å; F239-V241 PolarHBondContact O-N 3.45Å; F239-Y333 HydrophobicContact CE2-CG 4.16Å; F239-Y333 AromaticContact CZ-CD2 3.84Å; F239-Y333 HydrophobicContact CZ-CD2 3.84Å; F239-Y333 AromaticContact CZ-CG 3.95Å; F239-Y333 HydrophobicContact CZ-CG 3.95Å; F239-V339 HydrophobicContact CD2-CG2 4.32Å; F239-V339 HydrophobicContact CE2-CG2 4.01Å; F239-F366 HydrophobicContact CD2-CD1 4.05Å; F239-F366 AromaticContact CD2-CE1 3.72Å; F239-F366 HydrophobicContact CD2-CE1 3.72Å; F239-F366 HydrophobicContact CE2-CD1 4.21Å; F239-F366 HydrophobicContact CE2-CE1 4.3Å |
| 240 | L | 80.7 | Confident | 86 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 12.9 | -177.5 | -58.1 | 178.2 | 0 | 0 | 0 | 116 | Y209 Y333 F366 | Y209-L240 HydrophobicContact CD2-CB 3.66Å; Y209-L240 HydrophobicContact CE2-CB 4.27Å; Y209-L240 WeakPolarHBondContact CE2-O 3.49Å; L240-Y333 HydrophobicContact CD1-CE2 4.49Å; L240-Y333 HydrophobicContact CD2-CD1 3.87Å; L240-Y333 HydrophobicContact CD2-CD2 4.1Å; L240-Y333 HydrophobicContact CD2-CE1 3.41Å; L240-Y333 VanDerWaalsContact CD2-CE1 3.41Å; L240-Y333 HydrophobicContact CD2-CE2 3.69Å; L240-Y333 HydrophobicContact CD2-CG 4.21Å; L240-F366 HydrophobicContact CD2-CB 3.85Å; L240-F366 HydrophobicContact CD2-CD1 4.32Å; L240-F366 HydrophobicContact CD2-CG 4.12Å |
| 241 | V | 78.6 | Confident | 86.1 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | trans | -99 | 95.4 | 172.9 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | Y209 A238 F239 Q243 | Y209-V241 HydrophobicContact CE1-CG2 4.44Å; Y209-V241 HydrophobicContact CE2-CG2 4.16Å; A238-V241 HydrophobicContact CB-CB 4.04Å; A238-V241 HydrophobicContact CB-CG2 3.63Å; A238-V241 PolarHBondContact O-N 2.88Å; F239-V241 PolarHBondContact O-N 3.45Å; V241-Q243 HydrophobicContact CG1-CG 3.87Å; V241-Q243 VanDerWaalsContact CG1-NE2 3.33Å; V241-Q243 PolarHBondContact O-N 2.78Å | ||
| 242 | N | 79.5 | Confident | 86 | Confident | 97 Ų | 97 | 49 Ų | 49 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | trans | -65.6 | 128.8 | 173.2 | -66.1 | -33.3 | 0 | 0 | 0 | 109.4 | I364 H365 F366 | N242-I364 WeakPolarHBondContact CA-O 3.27Å; N242-H365 WeakPolarHBondContact OD1-CA 3.37Å; N242-F366 PolarHBondContact OD1-N 3.24Å | ||
| 243 | Q | 79.6 | Confident | 85.7 | Confident | 48 Ų | 48 | 47.2 Ų | 47.2 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145.3 | -178.2 | -59.4 | 177.2 | 25.6 | 0 | 0 | 110.5 | F222 V241 E363 I364 | F222-Q243 HydrophobicContact CE1-CB 3.88Å; F222-Q243 HydrophobicContact CZ-CB 4.14Å; V241-Q243 HydrophobicContact CG1-CG 3.87Å; V241-Q243 VanDerWaalsContact CG1-NE2 3.33Å; V241-Q243 PolarHBondContact O-N 2.78Å; Q243-E363 CarbonylContact O-C 3.6Å; Q243-E363 VanDerWaalsContact O-CA 3.32Å; Q243-E363 WeakPolarHBondContact O-CA 3.46Å; Q243-I364 HydrophobicContact CB-CG2 3.9Å; Q243-I364 HydrophobicContact CG-CG2 4.43Å; Q243-I364 PolarHBondContact N-O 3.33Å; Q243-I364 VanDerWaalsContact N-O 3.1Å; Q243-I364 PolarHBondContact O-N 3.49Å |
| 244 | A | 85.9 | Confident | 85.4 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 58% | 0.579 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 106.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | F362 E363 | A244-F362 CarbonylContact C-O 3.29Å; A244-F362 WeakPolarHBondContact CA-O 3.45Å; A244-E363 HydrophobicContact CB-CG 3.85Å |
| 245 | V | 85 | Confident | 85.4 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.4 | -172.3 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | F222 P223 K361 F362 | F222-V245 HydrophobicContact CE1-CG1 4.32Å; F222-V245 HydrophobicContact CE1-CG2 3.63Å; F222-V245 HydrophobicContact CZ-CG2 3.92Å; P223-V245 VanDerWaalsContact O-CG2 3.29Å; P223-V245 WeakPolarHBondContact O-CG2 2.83Å; V245-K361 WeakPolarHBondContact O-CA 3.47Å; V245-F362 HydrophobicContact CG2-CB 3.8Å; V245-F362 HydrophobicContact CG2-CD2 4.41Å; V245-F362 PolarHBondContact N-O 2.83Å; V245-F362 PolarHBondContact O-N 2.89Å |
| 246 | K | 89.2 | Confident | 85.4 | Confident | 120 Ų | 120 | 51.9 Ų | 51.9 | 52% | 0.522 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.1 | 172.3 | -69.1 | -178.6 | -179.9 | -176.1 | 0 | 108.1 | S225 Q360 K361 | S225-K246 PolarHBondContact OG-O 2.76Å; K246-Q360 WeakPolarHBondContact CA-O 2.93Å; K246-K361 HydrophobicContact CG-CB 4.31Å; K246-K361 HydrophobicContact CG-CG 3.98Å |
| 247 | C | 90.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 163.1 | 175.7 | 64.4 | 0 | 0 | 0 | 0 | 110 | C231 Q359 Q360 F362 | C231-C247 WeakPolarHBondContact CA-SG 3.47Å; C231-C247 HydrophobicContact CB-CB 3.91Å; C231-C247 WeakPolarHBondContact CB-SG 3.09Å; C231-C247 WeakPolarHBondContact SG-CB 3.4Å; C231-C247 CovalentContact SG-SG 2.03Å; C231-C247 PolarHBondContact SG-SG 3.26Å; C247-Q359 WeakPolarHBondContact O-CA 3.41Å; C247-Q360 PolarHBondContact N-O 3.49Å; C247-Q360 PolarHBondContact O-N 2.93Å; C247-F362 VanDerWaalsContact SG-CE2 3.55Å |
| 248 | T | 89.3 | Confident | 85.5 | Confident | 25 Ų | 25 | 62 Ų | 62 | 15% | 0.153 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.1 | -172.6 | -61.2 | 0 | 0 | 0 | 0 | 109.6 | S229 L230 C231 P357 L358 | S229-T248 WeakPolarHBondContact O-CB 3.47Å; S229-T248 PolarHBondContact O-N 3.42Å; L230-T248 CarbonylContact C-O 3.45Å; L230-T248 WeakPolarHBondContact CA-O 3.46Å; C231-T248 PolarHBondContact N-O 2.69Å; T248-P357 HydrophobicContact CG2-CB 3.38Å; T248-P357 HydrophobicContact CG2-CG 3.53Å; T248-L358 CarbonylContact C-O 3.24Å; T248-L358 VanDerWaalsContact CA-O 3.3Å; T248-L358 WeakPolarHBondContact CA-O 3.36Å |
| 249 | R | 88.8 | Confident | 85.7 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.8 | 177.9 | -159.5 | -179.8 | -161.6 | 103.5 | 4.3 | 110.2 | D233 I251 A261 L358 | D233-R249 IonicContact OD1-CZ 3.95Å; D233-R249 IonicContact OD1-NH1 2.8Å; D233-R249 PolarHBondContact OD1-NH1 3.14Å; D233-R249 IonicContact OD1-NH2 3.48Å; D233-R249 IonicContact OD2-CZ 2.69Å; D233-R249 IonicContact OD2-NH1 2.7Å; D233-R249 PolarHBondContact OD2-NH1 2.99Å; D233-R249 IonicContact OD2-NH2 3.84Å; D233-R249 PolarHBondContact OD2-NH2 2.79Å; R249-I251 HydrophobicContact CB-CG1 4.32Å; R249-I251 HydrophobicContact CG-CG1 4.18Å; R249-A261 VanDerWaalsContact CZ-CB 3.41Å; R249-L358 PolarHBondContact N-O 2.84Å; R249-L358 PolarHBondContact O-N 2.84Å |
| 250 | K | 86.2 | Confident | 85.8 | Confident | 162 Ų | 162 | 69.3 Ų | 69.3 | 70% | 0.704 | 34% | 0.344 | S | S | * | . | trans | -82.1 | 122.9 | 166.9 | -66.8 | -179 | -179.2 | 179.9 | 0 | 107.5 | L230 | L230-K250 HydrophobicContact CD2-CD 4.38Å; L230-K250 HydrophobicContact CD2-CG 4.06Å | ||
| 251 | I | 85.6 | Confident | 86.3 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | trans | -121.1 | 131.9 | -176 | -62.4 | 172.1 | 0 | 0 | 0 | 108 | R249 I259 L262 L358 | R249-I251 HydrophobicContact CB-CG1 4.32Å; R249-I251 HydrophobicContact CG-CG1 4.18Å; I251-I259 HydrophobicContact CG2-CD1 3.92Å; I251-L262 HydrophobicContact CD1-CD1 3.91Å; I251-L262 HydrophobicContact CD1-CD2 3.65Å; I251-L262 HydrophobicContact CD1-CG 4.43Å; I251-L262 HydrophobicContact CG1-CD1 4.36Å; I251-L262 HydrophobicContact CG1-CD2 4.41Å; I251-L262 HydrophobicContact CG2-CD1 4.11Å; I251-L358 HydrophobicContact CD1-CB 3.53Å; I251-L358 HydrophobicContact CD1-CD2 3.38Å; I251-L358 HydrophobicContact CD1-CG 4.06Å; I251-L358 HydrophobicContact CG1-CB 4.44Å | ||
| 252 | N | 85.4 | Confident | 87 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | trans | -90 | 117.6 | 161.8 | -174.3 | 3.3 | 0 | 0 | 0 | 108 | E254 Q255 C256 | N252-E254 VanDerWaalsContact C-N 3.26Å; N252-E254 PolarHBondContact O-N 3.41Å; N252-Q255 HydrophobicContact CB-CB 4.49Å; N252-Q255 PolarHBondContact ND2-OE1 3.28Å; N252-Q255 VanDerWaalsContact ND2-OE1 3.15Å; N252-Q255 PolarHBondContact O-N 3.43Å; N252-Q255 VanDerWaalsContact O-N 3.15Å; N252-C256 PolarHBondContact O-N 2.86Å | ||
| 253 | L | 83.6 | Confident | 87.7 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -64.3 | -32.2 | -173.6 | -72.8 | 167.4 | 0 | 0 | 0 | 112.8 | Q255 C256 L311 C320 V351 S353 | L253-Q255 PolarHBondContact O-N 2.82Å; L253-C256 WeakPolarHBondContact O-CB 3.41Å; L253-C256 PolarHBondContact O-N 3.06Å; L253-L311 WeakPolarHBondContact O-CD1 3.3Å; L253-C320 HydrophobicContact CD2-CB 4.29Å; L253-V351 HydrophobicContact CD2-CG1 4.19Å; L253-S353 VanDerWaalsContact CD1-CA 3.5Å; L253-S353 VanDerWaalsContact CD1-N 3.27Å |
| 254 | E | 82.8 | Confident | 88.4 | Confident | 157 Ų | 157 | 59.5 Ų | 59.5 | 73% | 0.734 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -66.1 | -22.6 | 179 | -62.3 | -175.5 | 171.2 | 0 | 0 | 112.5 | N252 | N252-E254 VanDerWaalsContact C-N 3.26Å; N252-E254 PolarHBondContact O-N 3.41Å |
| 255 | Q | 85.1 | Confident | 88.7 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 43% | 0.425 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -109.7 | 19.1 | -178.7 | -65.1 | 175.3 | -48.4 | 0 | 0 | 112 | N252 L253 E257 E258 I259 | N252-Q255 HydrophobicContact CB-CB 4.49Å; N252-Q255 PolarHBondContact ND2-OE1 3.28Å; N252-Q255 VanDerWaalsContact ND2-OE1 3.15Å; N252-Q255 PolarHBondContact O-N 3.43Å; N252-Q255 VanDerWaalsContact O-N 3.15Å; L253-Q255 PolarHBondContact O-N 2.82Å; Q255-E257 PolarHBondContact O-N 2.95Å; Q255-E258 PolarHBondContact O-N 2.72Å; Q255-E258 VanDerWaalsContact O-N 3.09Å; Q255-I259 WeakPolarHBondContact O-CG1 3.23Å; Q255-I259 PolarHBondContact O-N 3.3Å |
| 256 | C | 87.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.7 | -172.2 | 93.5 | 0 | 0 | 0 | 0 | 113.6 | N252 L253 E258 L262 C320 | N252-C256 PolarHBondContact O-N 2.86Å; L253-C256 WeakPolarHBondContact O-CB 3.41Å; L253-C256 PolarHBondContact O-N 3.06Å; C256-E258 VanDerWaalsContact C-N 3.32Å; C256-L262 HydrophobicContact CB-CD1 4.33Å; C256-C320 HydrophobicContact CB-CB 3.63Å; C256-C320 WeakPolarHBondContact CB-SG 3.22Å; C256-C320 WeakPolarHBondContact SG-CB 3.47Å; C256-C320 CovalentContact SG-SG 2.03Å; C256-C320 PolarHBondContact SG-SG 3.48Å |
| 257 | E | 89.4 | Confident | 89.3 | Confident | 115 Ų | 115 | 52.6 Ų | 52.6 | 54% | 0.537 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -25.2 | 178.1 | -56.3 | -171.5 | 171.3 | 0 | 0 | 112.4 | Q255 T310 L311 | Q255-E257 PolarHBondContact O-N 2.95Å; E257-T310 WeakPolarHBondContact OE1-CA 3.43Å; E257-L311 HydrophobicContact CG-CB 4.44Å; E257-L311 PolarHBondContact OE1-N 3.16Å |
| 258 | E | 89.7 | Confident | 89.5 | Confident | 147 Ų | 147 | 53.3 Ų | 53.3 | 69% | 0.687 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -18.1 | -179.3 | -60.3 | -179.2 | 173.4 | 0 | 0 | 112.6 | Q255 C256 E260 | Q255-E258 PolarHBondContact O-N 2.72Å; Q255-E258 VanDerWaalsContact O-N 3.09Å; C256-E258 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 2.77Å; E258-E260 VanDerWaalsContact O-N 3.14Å |
| 259 | I | 89.6 | Confident | 89.6 | Confident | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.179 | 28% | 0.279 | C | S | . | . | trans | -83.3 | 98.2 | -175.9 | -57.1 | 165.1 | 0 | 0 | 0 | 109.4 | I251 Q255 A261 L262 | I251-I259 HydrophobicContact CG2-CD1 3.92Å; Q255-I259 WeakPolarHBondContact O-CG1 3.23Å; Q255-I259 PolarHBondContact O-N 3.3Å; I259-A261 VanDerWaalsContact C-N 3.27Å; I259-A261 PolarHBondContact O-N 2.91Å; I259-A261 VanDerWaalsContact O-N 3.15Å; I259-L262 HydrophobicContact CB-CD1 3.9Å; I259-L262 HydrophobicContact CB-CG 3.89Å; I259-L262 HydrophobicContact CD1-CD1 3.95Å; I259-L262 HydrophobicContact CG2-CD1 4.15Å; I259-L262 HydrophobicContact CG2-CD2 4.49Å; I259-L262 HydrophobicContact CG2-CG 3.71Å; I259-L262 WeakPolarHBondContact O-CB 3.4Å; I259-L262 PolarHBondContact O-N 3.18Å | ||
| 260 | E | 91.1 | Very high | 89.8 | Confident | 138 Ų | 138 | 55.9 Ų | 55.9 | 65% | 0.645 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -51.8 | -42.2 | -177 | -61.5 | -176.1 | 167.6 | 0 | 0 | 113.4 | E258 L262 S263 F266 | E258-E260 PolarHBondContact O-N 2.77Å; E258-E260 VanDerWaalsContact O-N 3.14Å; E260-L262 PolarHBondContact O-N 3.08Å; E260-L262 VanDerWaalsContact O-N 3.1Å; E260-S263 WeakPolarHBondContact O-CA 3.32Å; E260-S263 VanDerWaalsContact O-CB 3.26Å; E260-S263 WeakPolarHBondContact O-CB 3.28Å; E260-S263 PolarHBondContact O-N 3.42Å; E260-F266 HydrophobicContact CB-CB 4.48Å; E260-F266 HydrophobicContact CB-CD2 3.75Å; E260-F266 HydrophobicContact CB-CE2 4.43Å; E260-F266 HydrophobicContact CB-CG 4.4Å; E260-F266 WeakPolarHBondContact O-CB 3.25Å |
| 261 | A | 91.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -69.2 | -6.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | R249 I259 F266 Y267 | R249-A261 VanDerWaalsContact CZ-CB 3.41Å; I259-A261 VanDerWaalsContact C-N 3.27Å; I259-A261 PolarHBondContact O-N 2.91Å; I259-A261 VanDerWaalsContact O-N 3.15Å; A261-F266 HydrophobicContact CB-CD1 4.25Å; A261-F266 HydrophobicContact CB-CE1 4.25Å; A261-Y267 WeakPolarHBondContact O-CE2 3.08Å; A261-Y267 PolarHBondContact O-OH 3.36Å |
| 262 | L | 92.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -88.1 | -16.2 | 168.5 | -57.8 | -174.1 | 0 | 0 | 0 | 112.3 | I251 C256 I259 E260 P309 V323 V324 L358 | I251-L262 HydrophobicContact CD1-CD1 3.91Å; I251-L262 HydrophobicContact CD1-CD2 3.65Å; I251-L262 HydrophobicContact CD1-CG 4.43Å; I251-L262 HydrophobicContact CG1-CD1 4.36Å; I251-L262 HydrophobicContact CG1-CD2 4.41Å; I251-L262 HydrophobicContact CG2-CD1 4.11Å; C256-L262 HydrophobicContact CB-CD1 4.33Å; I259-L262 HydrophobicContact CB-CD1 3.9Å; I259-L262 HydrophobicContact CB-CG 3.89Å; I259-L262 HydrophobicContact CD1-CD1 3.95Å; I259-L262 HydrophobicContact CG2-CD1 4.15Å; I259-L262 HydrophobicContact CG2-CD2 4.49Å; I259-L262 HydrophobicContact CG2-CG 3.71Å; I259-L262 WeakPolarHBondContact O-CB 3.4Å; I259-L262 PolarHBondContact O-N 3.18Å; E260-L262 PolarHBondContact O-N 3.08Å; E260-L262 VanDerWaalsContact O-N 3.1Å; L262-P309 HydrophobicContact CB-CG 4.46Å; L262-V323 HydrophobicContact CB-CG1 4.14Å; L262-V323 HydrophobicContact CD1-CG1 4.38Å; L262-V323 HydrophobicContact CD2-CG1 3.84Å; L262-V323 HydrophobicContact CG-CG1 4.32Å; L262-V324 WeakPolarHBondContact O-CG2 3.21Å; L262-V324 PolarHBondContact O-N 3.27Å; L262-L358 HydrophobicContact CD2-CD2 4.08Å |
| 263 | S | 93.9 | Very high | 90.9 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -88.3 | 144.8 | 179.7 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | E260 A265 F266 Y267 | E260-S263 WeakPolarHBondContact O-CA 3.32Å; E260-S263 VanDerWaalsContact O-CB 3.26Å; E260-S263 WeakPolarHBondContact O-CB 3.28Å; E260-S263 PolarHBondContact O-N 3.42Å; S263-A265 PolarHBondContact O-N 2.87Å; S263-A265 PolarHBondContact OG-N 3.49Å; S263-F266 PolarHBondContact O-N 3.26Å; S263-Y267 WeakPolarHBondContact O-CD2 3.39Å |
| 264 | M | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -37 | 172.9 | -72.2 | 174.9 | 67.5 | 0 | 0 | 112 | F266 Y267 S268 V286 I289 V306 L307 V324 F346 L348 | M264-F266 PolarHBondContact O-N 2.95Å; M264-Y267 PolarHBondContact O-N 3.16Å; M264-S268 PolarHBondContact O-N 3.27Å; M264-S268 PolarHBondContact O-OG 2.8Å; M264-V286 HydrophobicContact CE-CG1 4.15Å; M264-V286 HydrophobicContact CE-CG2 4.5Å; M264-I289 HydrophobicContact CE-CD1 3.45Å; M264-I289 VanDerWaalsContact CE-CD1 3.45Å; M264-I289 HydrophobicContact CE-CG1 3.87Å; M264-I289 HydrophobicContact SD-CD1 4.22Å; M264-V306 HydrophobicContact CB-CG1 3.83Å; M264-L307 HydrophobicContact SD-CB 3.91Å; M264-L307 HydrophobicContact SD-CG 4.47Å; M264-L307 PolarHBondContact SD-N 3.26Å; M264-V324 HydrophobicContact CG-CG2 4.05Å; M264-F346 HydrophobicContact CB-CE1 4.37Å; M264-F346 HydrophobicContact CB-CE2 4.22Å; M264-F346 HydrophobicContact CB-CZ 4Å; M264-F346 HydrophobicContact CE-CD2 3.51Å; M264-F346 HydrophobicContact CE-CE2 3.67Å; M264-F346 HydrophobicContact CE-CG 4.25Å; M264-F346 HydrophobicContact CG-CD1 4.28Å; M264-F346 HydrophobicContact CG-CD2 4.25Å; M264-F346 HydrophobicContact CG-CE1 4.26Å; M264-F346 HydrophobicContact CG-CE2 4.21Å; M264-F346 HydrophobicContact CG-CG 4.26Å; M264-F346 HydrophobicContact CG-CZ 4.2Å; M264-L348 HydrophobicContact CG-CD1 4.44Å; M264-L348 HydrophobicContact CG-CD2 3.81Å; M264-L348 HydrophobicContact SD-CD1 3.77Å; M264-L348 HydrophobicContact SD-CD2 4.18Å; M264-L348 HydrophobicContact SD-CG 4.48Å |
| 265 | A | 92.5 | Very high | 91.6 | Very high | 28 Ų | 28 | 45 Ų | 45 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -32.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S263 Y267 S268 S269 V306 | S263-A265 PolarHBondContact O-N 2.87Å; S263-A265 PolarHBondContact OG-N 3.49Å; A265-Y267 PolarHBondContact O-N 2.86Å; A265-S268 PolarHBondContact O-N 3.44Å; A265-S269 WeakPolarHBondContact O-CB 3.33Å; A265-S269 PolarHBondContact O-N 3.1Å; A265-S269 PolarHBondContact O-OG 2.9Å; A265-V306 HydrophobicContact CB-CG1 4.19Å |
| 266 | F | 93.1 | Very high | 91.7 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -31.5 | 177.7 | -179 | -98 | 0 | 0 | 0 | 112.7 | D233 E260 A261 S263 M264 | D233-F266 HydrophobicContact CB-CE1 4.32Å; D233-F266 HydrophobicContact CB-CZ 3.95Å; E260-F266 HydrophobicContact CB-CB 4.48Å; E260-F266 HydrophobicContact CB-CD2 3.75Å; E260-F266 HydrophobicContact CB-CE2 4.43Å; E260-F266 HydrophobicContact CB-CG 4.4Å; E260-F266 WeakPolarHBondContact O-CB 3.25Å; A261-F266 HydrophobicContact CB-CD1 4.25Å; A261-F266 HydrophobicContact CB-CE1 4.25Å; S263-F266 PolarHBondContact O-N 3.26Å; M264-F266 PolarHBondContact O-N 2.95Å |
| 267 | Y | 94.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -99.3 | -28.9 | -178.6 | -53.2 | -79.1 | 0 | 0 | 0 | 113.3 | P223 A261 S263 M264 A265 V324 V327 Y329 L344 F346 F362 | P223-Y267 HydrophobicContact CG-CE1 3.83Å; A261-Y267 WeakPolarHBondContact O-CE2 3.08Å; A261-Y267 PolarHBondContact O-OH 3.36Å; S263-Y267 WeakPolarHBondContact O-CD2 3.39Å; M264-Y267 PolarHBondContact O-N 3.16Å; A265-Y267 PolarHBondContact O-N 2.86Å; Y267-V324 HydrophobicContact CD2-CG1 4.42Å; Y267-V324 HydrophobicContact CD2-CG2 4.49Å; Y267-V324 HydrophobicContact CE2-CB 4.32Å; Y267-V324 HydrophobicContact CE2-CG1 3.94Å; Y267-V324 HydrophobicContact CE2-CG2 4.33Å; Y267-V327 HydrophobicContact CD1-CG1 4.24Å; Y267-V327 HydrophobicContact CD1-CG2 4.18Å; Y267-V327 HydrophobicContact CD2-CG2 3.98Å; Y267-V327 HydrophobicContact CE1-CG2 4.19Å; Y267-V327 HydrophobicContact CE2-CG2 4.01Å; Y267-V327 HydrophobicContact CG-CG1 4.25Å; Y267-V327 HydrophobicContact CG-CG2 4.07Å; Y267-Y329 WeakPolarHBondContact CB-OH 3.28Å; Y267-Y329 PolarHBondContact O-OH 2.79Å; Y267-L344 WeakPolarHBondContact O-CD1 3.47Å; Y267-F346 AromaticContact CD2-CE1 3.89Å; Y267-F346 HydrophobicContact CD2-CE1 3.89Å; Y267-F346 HydrophobicContact CG-CE1 4.23Å; Y267-F362 HydrophobicContact CE1-CD1 4.25Å; Y267-F362 AromaticContact CE1-CE1 3.63Å; Y267-F362 HydrophobicContact CE1-CE1 3.63Å; Y267-F362 AromaticContact CZ-CE1 3.67Å; Y267-F362 WeakPolarHBondContact OH-CE1 3.46Å |
| 268 | S | 93.8 | Very high | 91.4 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 12% | 0.119 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -93.4 | -20.5 | -176.1 | 65 | 0 | 0 | 0 | 0 | 114.9 | M264 A265 | M264-S268 PolarHBondContact O-N 3.27Å; M264-S268 PolarHBondContact O-OG 2.8Å; A265-S268 PolarHBondContact O-N 3.44Å |
| 269 | S | 92.3 | Very high | 91.1 | Very high | 82 Ų | 82 | 47.5 Ų | 47.5 | 57% | 0.573 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -74.6 | -31.7 | -177.8 | -52.7 | 0 | 0 | 0 | 0 | 115.6 | A265 | A265-S269 WeakPolarHBondContact O-CB 3.33Å; A265-S269 PolarHBondContact O-N 3.1Å; A265-S269 PolarHBondContact O-OG 2.9Å |
| 270 | P | 92.3 | Very high | 91.1 | Very high | 37 Ų | 37 | 52.2 Ų | 52.2 | 24% | 0.24 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -61 | 139.2 | -179.1 | -25.1 | 34.7 | 0 | 0 | 0 | 113.3 | T215 L220 I284 | T215-P270 HydrophobicContact CG2-CB 4.04Å; L220-P270 HydrophobicContact CD1-CB 4.49Å; P270-I284 HydrophobicContact CB-CD1 4.3Å; P270-I284 WeakPolarHBondContact O-CD1 3.37Å; P270-I284 WeakPolarHBondContact O-CG1 3.21Å |
| 271 | E | 93.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 50.4 Ų | 50.4 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.4 | 171 | -60.6 | -176.3 | 131.8 | 0 | 0 | 109.8 | T215 K281 | T215-E271 WeakPolarHBondContact CA-O 3.34Å; E271-K281 HydrophobicContact CB-CB 4.2Å; E271-K281 HydrophobicContact CB-CD 4.02Å; E271-K281 WeakPolarHBondContact OE2-CD 3.44Å; E271-K281 IonicContact OE2-NZ 3.71Å; E271-K281 PolarHBondContact OE2-NZ 3.16Å |
| 272 | I | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 134.6 | -178.2 | -58.6 | 171.8 | 0 | 0 | 0 | 108.9 | L213 L220 K281 V282 I284 L331 V339 A342 | L213-I272 HydrophobicContact CD2-CG2 4.32Å; L220-I272 HydrophobicContact CD1-CD1 4.2Å; L220-I272 HydrophobicContact CD1-CG1 4.25Å; L220-I272 HydrophobicContact CD2-CD1 3.83Å; I272-K281 CarbonylContact O-C 3.56Å; I272-K281 WeakPolarHBondContact O-CA 3.3Å; I272-V282 PolarHBondContact N-O 3.43Å; I272-V282 PolarHBondContact O-N 2.85Å; I272-I284 HydrophobicContact CD1-CD1 4.09Å; I272-I284 HydrophobicContact CD1-CG1 4.09Å; I272-I284 HydrophobicContact CG1-CD1 4.23Å; I272-I284 HydrophobicContact CG1-CG1 4.31Å; I272-L331 HydrophobicContact CD1-CD2 3.81Å; I272-V339 HydrophobicContact CG2-CG1 4.48Å; I272-A342 HydrophobicContact CD1-CB 3.83Å |
| 273 | L | 93.4 | Very high | 91.3 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 135.2 | 174.3 | -54.9 | -172.6 | 0 | 0 | 0 | 109.7 | Y207 Q214 V275 K281 | Y207-L273 WeakPolarHBondContact CE2-O 2.89Å; Y207-L273 PolarHBondContact OH-O 2.79Å; Q214-L273 HydrophobicContact CB-CB 4.38Å; Q214-L273 HydrophobicContact CB-CD1 3.84Å; Q214-L273 HydrophobicContact CB-CG 4.13Å; Q214-L273 PolarHBondContact O-N 2.93Å; L273-V275 VanDerWaalsContact C-N 3.27Å; L273-V275 WeakPolarHBondContact CB-O 3.49Å; L273-V275 PolarHBondContact O-N 2.84Å; L273-K281 HydrophobicContact CD2-CG 4.01Å |
| 274 | R | 90.9 | Very high | 91.3 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -59.3 | -37.7 | -177.7 | 173.4 | 161 | 178.1 | 163.5 | 3.8 | 113 | K280 V282 E338 V339 | R274-K280 HydrophobicContact CB-CB 4.11Å; R274-K280 WeakPolarHBondContact CB-O 3.4Å; R274-K280 PolarHBondContact N-O 3.37Å; R274-V282 HydrophobicContact CB-CG2 4.15Å; R274-E338 HydrophobicContact CG-CB 4.11Å; R274-E338 IonicContact CZ-OE2 3.16Å; R274-E338 IonicContact NE-OE2 3.53Å; R274-E338 PolarHBondContact NE-OE2 3.27Å; R274-E338 IonicContact NH2-OE2 3.19Å; R274-E338 PolarHBondContact NH2-OE2 3.17Å; R274-E338 WeakPolarHBondContact O-CA 3.49Å; R274-V339 WeakPolarHBondContact CG-O 3.46Å; R274-V339 PolarHBondContact O-N 3.23Å |
| 275 | V | 90 | Very high | 91.3 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -140.8 | 163.3 | 170.8 | -65.2 | 0 | 0 | 0 | 0 | 108 | L273 D277 S278 E338 | L273-V275 VanDerWaalsContact C-N 3.27Å; L273-V275 WeakPolarHBondContact CB-O 3.49Å; L273-V275 PolarHBondContact O-N 2.84Å; V275-D277 PolarHBondContact O-N 2.81Å; V275-S278 WeakPolarHBondContact O-CB 3.31Å; V275-S278 PolarHBondContact O-N 2.88Å; V275-E338 HydrophobicContact CG1-CB 3.93Å; V275-E338 HydrophobicContact CG1-CG 3.61Å |
| 276 | P | 87.3 | Confident | 91.4 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.104 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 137.1 | 176.7 | -27 | 35.8 | 0 | 0 | 0 | 112.4 | A204 K206 Y207 Q214 S278 | A204-P276 HydrophobicContact CB-CB 4.32Å; A204-P276 HydrophobicContact CB-CG 4.26Å; K206-P276 VanDerWaalsContact C-CD 3.5Å; K206-P276 WeakPolarHBondContact O-CD 3.4Å; K206-P276 WeakPolarHBondContact O-CG 3.32Å; Y207-P276 HydrophobicContact CD1-CG 3.75Å; Y207-P276 HydrophobicContact CE1-CG 3.82Å; Y207-P276 HydrophobicContact CG-CG 4.11Å; Q214-P276 VanDerWaalsContact OE1-CA 3.3Å; P276-S278 PolarHBondContact O-N 2.83Å |
| 277 | D | 84.4 | Confident | 91.4 | Very high | 114 Ų | 114 | 59.4 Ų | 59.4 | 61% | 0.61 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 18.7 | 179.4 | -51.4 | -47.6 | 0 | 0 | 0 | 115.1 | V275 | V275-D277 PolarHBondContact O-N 2.81Š|
| 278 | S | 84.8 | Confident | 91.3 | Very high | 30 Ų | 30 | 60.7 Ų | 60.7 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | trans | -75.2 | 148.1 | -179.9 | -160.8 | 0 | 0 | 0 | 0 | 113.1 | V275 P276 K280 | V275-S278 WeakPolarHBondContact O-CB 3.31Å; V275-S278 PolarHBondContact O-N 2.88Å; P276-S278 PolarHBondContact O-N 2.83Å; S278-K280 VanDerWaalsContact C-N 3.32Å; S278-K280 PolarHBondContact OG-N 2.81Å; S278-K280 VanDerWaalsContact OG-N 3.14Å | ||
| 279 | R | 84.2 | Confident | 91.3 | Very high | 245 Ų | 245 | 59.9 Ų | 59.9 | 93% | 0.925 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -78.7 | -16.5 | 164.2 | -61.2 | -169 | -168.5 | -88.6 | 0.2 | 113.1 | ||
| 280 | K | 89.3 | Confident | 91.4 | Very high | 135 Ų | 135 | 57.5 Ų | 57.5 | 59% | 0.587 | 28% | 0.283 | S | S | * | . | trans | -84.2 | 125.6 | 178.7 | -69.4 | -175.1 | -178.6 | 177.2 | 0 | 109.4 | R274 S278 | R274-K280 HydrophobicContact CB-CB 4.11Å; R274-K280 WeakPolarHBondContact CB-O 3.4Å; R274-K280 PolarHBondContact N-O 3.37Å; S278-K280 VanDerWaalsContact C-N 3.32Å; S278-K280 PolarHBondContact OG-N 2.81Å; S278-K280 VanDerWaalsContact OG-N 3.14Å | ||
| 281 | K | 91.2 | Very high | 91.3 | Very high | 100 Ų | 100 | 58.3 Ų | 58.3 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 152.3 | -177.3 | -51 | -173.9 | -170.7 | -175.1 | 0 | 111.1 | S216 E271 I272 L273 | S216-K281 VanDerWaalsContact OG-CE 3.3Å; S216-K281 WeakPolarHBondContact OG-CE 3.38Å; S216-K281 PolarHBondContact OG-NZ 3.37Å; E271-K281 HydrophobicContact CB-CB 4.2Å; E271-K281 HydrophobicContact CB-CD 4.02Å; E271-K281 WeakPolarHBondContact OE2-CD 3.44Å; E271-K281 IonicContact OE2-NZ 3.71Å; E271-K281 PolarHBondContact OE2-NZ 3.16Å; I272-K281 CarbonylContact O-C 3.56Å; I272-K281 WeakPolarHBondContact O-CA 3.3Å; L273-K281 HydrophobicContact CD2-CG 4.01Å |
| 282 | V | 93.8 | Very high | 91.2 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 110.5 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 107 | I272 R274 V339 A342 | I272-V282 PolarHBondContact N-O 3.43Å; I272-V282 PolarHBondContact O-N 2.85Å; R274-V282 HydrophobicContact CB-CG2 4.15Å; V282-V339 WeakPolarHBondContact CG2-O 3.32Å; V282-A342 HydrophobicContact CG1-CB 4.29Å |
| 283 | P | 94.1 | Very high | 90.7 | Very high | 76 Ų | 76 | 58.9 Ų | 58.9 | 49% | 0.494 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 148 | 175.9 | 30.6 | -34.1 | 0 | 0 | 0 | 110 | ||
| 284 | I | 94.7 | Very high | 90 | Very high | 16 Ų | 16 | 62.7 Ų | 62.7 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.2 | 174.4 | -62.8 | 175.3 | 0 | 0 | 0 | 108.6 | L220 P270 I272 Y329 A342 L344 | L220-I284 HydrophobicContact CD1-CD1 3.91Å; P270-I284 HydrophobicContact CB-CD1 4.3Å; P270-I284 WeakPolarHBondContact O-CD1 3.37Å; P270-I284 WeakPolarHBondContact O-CG1 3.21Å; I272-I284 HydrophobicContact CD1-CD1 4.09Å; I272-I284 HydrophobicContact CD1-CG1 4.09Å; I272-I284 HydrophobicContact CG1-CD1 4.23Å; I272-I284 HydrophobicContact CG1-CG1 4.31Å; I284-Y329 HydrophobicContact CD1-CE1 4.23Å; I284-A342 WeakPolarHBondContact CA-O 3.48Å; I284-A342 HydrophobicContact CG1-CB 3.94Å; I284-L344 HydrophobicContact CG2-CB 3.81Å; I284-L344 HydrophobicContact CG2-CD1 3.68Å; I284-L344 HydrophobicContact CG2-CG 4.32Å |
| 285 | T | 94.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.3 | -179.1 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | Q287 A342 D343 L344 | T285-Q287 PolarHBondContact O-N 2.83Å; T285-Q287 PolarHBondContact OG1-NE2 2.82Å; T285-Q287 VanDerWaalsContact OG1-NE2 3.16Å; T285-A342 PolarHBondContact N-O 3.01Å; T285-D343 CarbonylContact O-C 3.6Å; T285-D343 WeakPolarHBondContact O-CA 3.47Å; T285-D343 PolarHBondContact OG1-OD1 3.18Å; T285-L344 PolarHBondContact O-N 3.23Å |
| 286 | V | 94.8 | Very high | 89.2 | Confident | 24 Ų | 24 | 72.4 Ų | 72.4 | 15% | 0.145 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.9 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | M264 I289 L344 F346 | M264-V286 HydrophobicContact CE-CG1 4.15Å; M264-V286 HydrophobicContact CE-CG2 4.5Å; V286-I289 HydrophobicContact CG1-CD1 4.25Å; V286-I289 HydrophobicContact CG1-CG1 3.86Å; V286-L344 CarbonylContact C-O 3.57Å; V286-L344 WeakPolarHBondContact CA-O 3.4Å; V286-F346 HydrophobicContact CG1-CD2 3.99Å; V286-F346 HydrophobicContact CG1-CE2 4.22Å; V286-F346 HydrophobicContact CG2-CE2 3.95Å |
| 287 | Q | 92.6 | Very high | 89.1 | Confident | 89 Ų | 89 | 75.5 Ų | 75.5 | 42% | 0.416 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -34.7 | -177.4 | -68 | -61.5 | -29 | 0 | 0 | 112.8 | T285 D343 L344 | T285-Q287 PolarHBondContact O-N 2.83Å; T285-Q287 PolarHBondContact OG1-NE2 2.82Å; T285-Q287 VanDerWaalsContact OG1-NE2 3.16Å; Q287-D343 HydrophobicContact CG-CB 3.59Å; Q287-D343 PolarHBondContact NE2-OD1 3.46Å; Q287-L344 PolarHBondContact N-O 3.38Å |
| 288 | S | 92.9 | Very high | 89.3 | Confident | 28 Ų | 28 | 75.2 Ų | 75.2 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 144.8 | -179.6 | 61 | 0 | 0 | 0 | 0 | 112.7 | S345 F346 | S288-S345 WeakPolarHBondContact O-CA 3.29Å; S288-S345 WeakPolarHBondContact OG-CB 3.44Å; S288-S345 PolarHBondContact OG-OG 3.01Å; S288-F346 PolarHBondContact O-N 3.44Å |
| 289 | I | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.9 | 174.1 | -54.3 | 173.8 | 0 | 0 | 0 | 107.6 | M264 V286 R301 L348 | M264-I289 HydrophobicContact CE-CD1 3.45Å; M264-I289 VanDerWaalsContact CE-CD1 3.45Å; M264-I289 HydrophobicContact CE-CG1 3.87Å; M264-I289 HydrophobicContact SD-CD1 4.22Å; V286-I289 HydrophobicContact CG1-CD1 4.25Å; V286-I289 HydrophobicContact CG1-CG1 3.86Å; I289-R301 HydrophobicContact CB-CB 4.33Å; I289-R301 PolarHBondContact O-N 3.37Å; I289-L348 HydrophobicContact CG2-CD1 3.71Å; I289-L348 HydrophobicContact CG2-CG 3.99Å |
| 290 | V | 93.4 | Very high | 89.8 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 19% | 0.194 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.6 | 173.2 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | L298 T299 F346 V347 L348 | V290-L298 HydrophobicContact CG1-CB 3.82Å; V290-L298 HydrophobicContact CG1-CD2 3.94Å; V290-L298 HydrophobicContact CG1-CG 4.36Å; V290-T299 CarbonylContact C-O 3.51Å; V290-T299 WeakPolarHBondContact CA-O 3.48Å; V290-F346 PolarHBondContact N-O 3.37Å; V290-V347 HydrophobicContact CB-CG2 4.37Å; V290-V347 CarbonylContact O-C 3.55Å; V290-V347 VanDerWaalsContact O-CA 3.3Å; V290-V347 WeakPolarHBondContact O-CA 3.08Å; V290-L348 PolarHBondContact O-N 3.34Å |
| 291 | I | 90.8 | Very high | 89.7 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.1 | 175.4 | -57.8 | 176.9 | 0 | 0 | 0 | 108.4 | L298 T299 L348 | I291-L298 WeakPolarHBondContact O-CA 3.32Å; I291-T299 PolarHBondContact N-O 3.31Å; I291-T299 PolarHBondContact O-N 2.84Å; I291-T299 PolarHBondContact O-OG1 2.89Å; I291-L348 CarbonylContact C-O 3.55Å; I291-L348 WeakPolarHBondContact CA-O 3.35Å |
| 292 | Q | 90.4 | Very high | 89.3 | Confident | 48 Ų | 48 | 75.4 Ų | 75.4 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.3 | 175.9 | -174 | 176.5 | -43.3 | 0 | 0 | 109.8 | T297 L298 L325 V347 L348 G349 | Q292-T297 WeakPolarHBondContact CA-O 3.48Å; Q292-L298 HydrophobicContact CB-CD2 3.75Å; Q292-L298 HydrophobicContact CG-CD2 3.81Å; Q292-L325 HydrophobicContact CB-CD1 4.21Å; Q292-V347 HydrophobicContact CB-CG1 4.04Å; Q292-L348 WeakPolarHBondContact CB-O 3.38Å; Q292-L348 PolarHBondContact N-O 2.86Å; Q292-G349 WeakPolarHBondContact O-CA 3.38Å |
| 293 | S | 83.4 | Confident | 88.8 | Confident | 43 Ų | 43 | 77.4 Ų | 77.4 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 166.5 | 173.9 | 78.9 | 0 | 0 | 0 | 0 | 111.7 | N295 K296 T297 | S293-N295 PolarHBondContact O-N 3.44Å; S293-N295 VanDerWaalsContact O-N 3.17Å; S293-N295 PolarHBondContact OG-N 3Å; S293-K296 WeakPolarHBondContact O-CA 3.4Å; S293-K296 PolarHBondContact O-N 2.6Å; S293-T297 PolarHBondContact N-O 3.45Å; S293-T297 VanDerWaalsContact OG-CB 3.28Å; S293-T297 WeakPolarHBondContact OG-CB 3.31Å; S293-T297 PolarHBondContact OG-N 2.81Å; S293-T297 PolarHBondContact OG-OG1 3.39Å |
| 294 | L | 79.7 | Confident | 88.2 | Confident | 98 Ų | 98 | 77 Ų | 77 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28 | 171.7 | -68.1 | 171.9 | 0 | 0 | 0 | 112.6 | K296 T350 | L294-K296 PolarHBondContact O-N 3.42Å; L294-T350 HydrophobicContact CD2-CG2 4.12Å; L294-T350 WeakPolarHBondContact CD2-O 3Å; L294-T350 HydrophobicContact CG-CG2 4.4Å |
| 295 | N | 81.7 | Confident | 87.8 | Confident | 142 Ų | 142 | 81.1 Ų | 81.1 | 76% | 0.759 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 14.3 | 175.7 | -65.2 | -18.8 | 0 | 0 | 0 | 113 | S293 T297 | S293-N295 PolarHBondContact O-N 3.44Å; S293-N295 VanDerWaalsContact O-N 3.17Å; S293-N295 PolarHBondContact OG-N 3Å; N295-T297 PolarHBondContact O-N 2.98Å |
| 296 | K | 81.9 | Confident | 87.4 | Confident | 163 Ų | 163 | 82 Ų | 82 | 71% | 0.709 | 42% | 0.418 | S | S | * | . | trans | 60.7 | 20.6 | -177.9 | -53.7 | -177.6 | 178.4 | 179.4 | 0 | 114.7 | S293 L294 | S293-K296 WeakPolarHBondContact O-CA 3.4Å; S293-K296 PolarHBondContact O-N 2.6Å; L294-K296 PolarHBondContact O-N 3.42Å | ||
| 297 | T | 85.1 | Confident | 87.1 | Confident | 81 Ų | 81 | 82.5 Ų | 82.5 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | trans | -74.6 | 131.2 | 172 | -40.4 | 0 | 0 | 0 | 0 | 109 | Q292 S293 N295 | Q292-T297 WeakPolarHBondContact CA-O 3.48Å; S293-T297 PolarHBondContact N-O 3.45Å; S293-T297 VanDerWaalsContact OG-CB 3.28Å; S293-T297 WeakPolarHBondContact OG-CB 3.31Å; S293-T297 PolarHBondContact OG-N 2.81Å; S293-T297 PolarHBondContact OG-OG1 3.39Å; N295-T297 PolarHBondContact O-N 2.98Å | ||
| 298 | L | 89.5 | Confident | 86.9 | Confident | 107 Ų | 107 | 84.8 Ų | 84.8 | 56% | 0.56 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.1 | 179.5 | -61.6 | 177.1 | 0 | 0 | 0 | 110.3 | V290 I291 Q292 V347 | V290-L298 HydrophobicContact CG1-CB 3.82Å; V290-L298 HydrophobicContact CG1-CD2 3.94Å; V290-L298 HydrophobicContact CG1-CG 4.36Å; I291-L298 WeakPolarHBondContact O-CA 3.32Å; Q292-L298 HydrophobicContact CB-CD2 3.75Å; Q292-L298 HydrophobicContact CG-CD2 3.81Å; L298-V347 HydrophobicContact CD2-CG1 4.35Å |
| 299 | T | 88.2 | Confident | 86.8 | Confident | 77 Ų | 77 | 83.9 Ų | 83.9 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.4 | 174.9 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | V290 I291 | V290-T299 CarbonylContact C-O 3.51Å; V290-T299 WeakPolarHBondContact CA-O 3.48Å; I291-T299 PolarHBondContact N-O 3.31Å; I291-T299 PolarHBondContact O-N 2.84Å; I291-T299 PolarHBondContact O-OG1 2.89Å |
| 300 | R | 89.7 | Confident | 86.7 | Confident | 185 Ų | 185 | 86.7 Ų | 86.7 | 70% | 0.698 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 132.7 | 174.5 | -174.7 | 178.3 | -179.3 | 176.8 | 1.9 | 109.2 | ||
| 301 | R | 88.6 | Confident | 86.5 | Confident | 69 Ų | 69 | 87.5 Ų | 87.5 | 26% | 0.26 | 44% | 0.444 | S | S | . | . | trans | -89.4 | 140.2 | 172.5 | -162.7 | 176.7 | 177.2 | -121.3 | -8.7 | 109.6 | I289 D303 D305 | I289-R301 HydrophobicContact CB-CB 4.33Å; I289-R301 PolarHBondContact O-N 3.37Å; R301-D303 IonicContact CZ-OD2 3.35Å; R301-D303 IonicContact NH1-OD2 2.86Å; R301-D303 PolarHBondContact NH1-OD2 3.11Å; R301-D303 IonicContact NH2-OD2 2.76Å; R301-D303 PolarHBondContact NH2-OD2 3.46Å; R301-D305 PolarHBondContact NH1-O 3.34Å | ||
| 302 | E | 83.1 | Confident | 86.3 | Confident | 184 Ų | 184 | 88 Ų | 88 | 86% | 0.86 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -76.9 | -28.8 | 177.5 | -67.1 | -63.2 | 158.1 | 0 | 0 | 112.4 | ||
| 303 | D | 82.1 | Confident | 86.1 | Confident | 54 Ų | 54 | 91.3 Ų | 91.3 | 29% | 0.289 | 47% | 0.469 | S | S | . | . | trans | -96.4 | 140 | -179.8 | 175.6 | 22 | 0 | 0 | 0 | 111.3 | R301 D305 | R301-D303 IonicContact CZ-OD2 3.35Å; R301-D303 IonicContact NH1-OD2 2.86Å; R301-D303 PolarHBondContact NH1-OD2 3.11Å; R301-D303 IonicContact NH2-OD2 2.76Å; R301-D303 PolarHBondContact NH2-OD2 3.46Å; D303-D305 PolarHBondContact OD1-N 2.99Å; D303-D305 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 304 | T | 81.8 | Confident | 85.4 | Confident | 66 Ų | 66 | 91.8 Ų | 91.8 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | trans | -102.3 | 7.8 | -179.7 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | V306 | T304-V306 PolarHBondContact O-N 3.33Š| ||
| 305 | D | 86.7 | Confident | 85.2 | Confident | 104 Ų | 104 | 90.6 Ų | 90.6 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 137.3 | 174.7 | -75.4 | -16.9 | 0 | 0 | 0 | 112.2 | R301 D303 L307 | R301-D305 PolarHBondContact NH1-O 3.34Å; D303-D305 PolarHBondContact OD1-N 2.99Å; D303-D305 WeakPolarHBondContact OD2-CB 3.45Å; D305-L307 PolarHBondContact O-N 3.41Å |
| 306 | V | 85.9 | Confident | 84.6 | Confident | 76 Ų | 76 | 93.1 Ų | 93.1 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 119.6 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | M264 A265 T304 | M264-V306 HydrophobicContact CB-CG1 3.83Å; A265-V306 HydrophobicContact CB-CG1 4.19Å; T304-V306 PolarHBondContact O-N 3.33Å |
| 307 | L | 87.4 | Confident | 84.2 | Confident | 34 Ų | 34 | 92 Ų | 92 | 18% | 0.178 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 142.4 | 176.8 | -62.7 | 175.2 | 0 | 0 | 0 | 110.6 | M264 D305 N322 L348 | M264-L307 HydrophobicContact SD-CB 3.91Å; M264-L307 HydrophobicContact SD-CG 4.47Å; M264-L307 PolarHBondContact SD-N 3.26Å; D305-L307 PolarHBondContact O-N 3.41Å; L307-N322 HydrophobicContact CB-CB 4.2Å; L307-L348 HydrophobicContact CB-CD1 4.21Å; L307-L348 HydrophobicContact CD1-CD1 3.77Å |
| 308 | Q | 88.3 | Confident | 84.1 | Confident | 137 Ų | 137 | 90 Ų | 90 | 64% | 0.64 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -98.7 | 147.1 | 171.9 | -67.9 | -172.1 | -10.7 | 0 | 0 | 110.3 | T310 N322 | Q308-T310 PolarHBondContact O-OG1 3.43Å; Q308-N322 WeakPolarHBondContact O-CB 3.46Å; Q308-N322 PolarHBondContact O-ND2 3.29Å |
| 309 | P | 91.5 | Very high | 84.1 | Confident | 9 Ų | 9 | 86.5 Ų | 86.5 | 6% | 0.058 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 139.1 | 171.2 | 26.4 | -31.2 | 0 | 0 | 0 | 108.8 | L262 V321 | L262-P309 HydrophobicContact CB-CG 4.46Å; P309-V321 WeakPolarHBondContact CA-O 3.43Å |
| 310 | T | 90.6 | Very high | 84.1 | Confident | 59 Ų | 59 | 82.9 Ų | 82.9 | 36% | 0.362 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.6 | -178.6 | -50.4 | 0 | 0 | 0 | 0 | 110 | E257 Q308 C320 V321 | E257-T310 WeakPolarHBondContact OE1-CA 3.43Å; Q308-T310 PolarHBondContact O-OG1 3.43Å; T310-C320 WeakPolarHBondContact O-CA 3.3Å; T310-V321 PolarHBondContact N-O 2.61Å; T310-V321 VanDerWaalsContact N-O 3.11Å; T310-V321 WeakPolarHBondContact O-CG2 3.26Å; T310-V321 PolarHBondContact O-N 3.33Å |
| 311 | L | 89.7 | Confident | 84.2 | Confident | 49 Ų | 49 | 75.7 Ų | 75.7 | 26% | 0.257 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 119.3 | 175 | -171.1 | 64.5 | 0 | 0 | 0 | 109.9 | L253 E257 | L253-L311 WeakPolarHBondContact O-CD1 3.3Å; E257-L311 HydrophobicContact CG-CB 4.44Å; E257-L311 PolarHBondContact OE1-N 3.16Å |
| 312 | V | 87.7 | Confident | 84.3 | Confident | 63 Ų | 63 | 74.3 Ų | 74.3 | 38% | 0.382 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.6 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | L319 V321 | V312-L319 PolarHBondContact N-O 2.8Å; V312-L319 PolarHBondContact O-N 3.25Å; V312-V321 HydrophobicContact CG2-CG1 4.08Å; V312-V321 HydrophobicContact CG2-CG2 3.75Å |
| 313 | N | 84.6 | Confident | 84.8 | Confident | 117 Ų | 117 | 65.6 Ų | 65.6 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 111.4 | 176.2 | -67.3 | -33.1 | 0 | 0 | 0 | 109.9 | ||
| 314 | A | 70.1 | Confident | 85.5 | Confident | 53 Ų | 53 | 63 Ų | 63 | 44% | 0.438 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 83 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | H316 F317 L319 | A314-H316 PolarHBondContact O-N 3.49Å; A314-F317 PolarHBondContact N-O 3.43Å; A314-F317 PolarHBondContact O-N 3.16Å; A314-L319 HydrophobicContact CB-CD1 4.21Å |
| 315 | G | 75.1 | Confident | 86 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 76% | 0.763 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | -123 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F317 | G315-F317 VanDerWaalsContact C-N 3.31Š|
| 316 | H | 69.8 | Low | 86.5 | Confident | 194 Ų | 194 | 59.4 Ų | 59.4 | 90% | 0.898 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 1.1 | 176.3 | -69.6 | -75.2 | 0 | 0 | 0 | 113.9 | A314 | A314-H316 PolarHBondContact O-N 3.49Š|
| 317 | F | 72.7 | Confident | 86.9 | Confident | 141 Ų | 141 | 55.9 Ų | 55.9 | 62% | 0.618 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.1 | -178.2 | -57 | -77.1 | 0 | 0 | 0 | 110.9 | A314 G315 | A314-F317 PolarHBondContact N-O 3.43Å; A314-F317 PolarHBondContact O-N 3.16Å; G315-F317 VanDerWaalsContact C-N 3.31Å |
| 318 | S | 83.3 | Confident | 87.4 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.2 | 169.5 | 57.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 319 | L | 88.4 | Confident | 87.7 | Confident | 33 Ų | 33 | 52 Ų | 52 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.3 | 179.2 | -59.9 | 173.7 | 0 | 0 | 0 | 109.3 | V312 A314 T350 V351 | V312-L319 PolarHBondContact N-O 2.8Å; V312-L319 PolarHBondContact O-N 3.25Å; A314-L319 HydrophobicContact CB-CD1 4.21Å; L319-T350 HydrophobicContact CB-CG2 4.03Å; L319-V351 WeakPolarHBondContact CA-O 3.38Å |
| 320 | C | 89.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 116.8 | 170.3 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | L253 C256 T310 V323 T350 V351 | L253-C320 HydrophobicContact CD2-CB 4.29Å; C256-C320 HydrophobicContact CB-CB 3.63Å; C256-C320 WeakPolarHBondContact CB-SG 3.22Å; C256-C320 WeakPolarHBondContact SG-CB 3.47Å; C256-C320 CovalentContact SG-SG 2.03Å; C256-C320 PolarHBondContact SG-SG 3.48Å; T310-C320 WeakPolarHBondContact O-CA 3.3Å; C320-V323 HydrophobicContact CB-CG2 3.87Å; C320-V323 WeakPolarHBondContact SG-CG2 3.27Å; C320-T350 CarbonylContact O-C 3.58Å; C320-T350 VanDerWaalsContact O-CA 3.29Å; C320-T350 WeakPolarHBondContact O-CA 3.41Å; C320-V351 PolarHBondContact N-O 2.82Å; C320-V351 PolarHBondContact O-N 2.84Å |
| 321 | V | 91 | Very high | 88 | Confident | 34 Ų | 34 | 50 Ų | 50 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 163.4 | 179.2 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | P309 T310 V312 V323 T350 | P309-V321 WeakPolarHBondContact CA-O 3.43Å; T310-V321 PolarHBondContact N-O 2.61Å; T310-V321 VanDerWaalsContact N-O 3.11Å; T310-V321 WeakPolarHBondContact O-CG2 3.26Å; T310-V321 PolarHBondContact O-N 3.33Å; V312-V321 HydrophobicContact CG2-CG1 4.08Å; V312-V321 HydrophobicContact CG2-CG2 3.75Å; V321-V323 PolarHBondContact O-N 3.07Å; V321-T350 HydrophobicContact CG1-CG2 3.86Å |
| 322 | N | 91.6 | Very high | 88.2 | Confident | 39 Ų | 39 | 48.8 Ų | 48.8 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.1 | 28.8 | -178.7 | -54.4 | -33.3 | 0 | 0 | 0 | 114.3 | L307 Q308 L348 G349 | L307-N322 HydrophobicContact CB-CB 4.2Å; Q308-N322 WeakPolarHBondContact O-CB 3.46Å; Q308-N322 PolarHBondContact O-ND2 3.29Å; N322-L348 HydrophobicContact CB-CD1 4.49Å; N322-G349 PolarHBondContact N-O 2.98Å |
| 323 | V | 93.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 130.8 | 178.1 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | L262 C320 V321 L325 L348 G349 V351 L358 | L262-V323 HydrophobicContact CB-CG1 4.14Å; L262-V323 HydrophobicContact CD1-CG1 4.38Å; L262-V323 HydrophobicContact CD2-CG1 3.84Å; L262-V323 HydrophobicContact CG-CG1 4.32Å; C320-V323 HydrophobicContact CB-CG2 3.87Å; C320-V323 WeakPolarHBondContact SG-CG2 3.27Å; V321-V323 PolarHBondContact O-N 3.07Å; V323-L325 PolarHBondContact O-N 3.17Å; V323-L348 CarbonylContact O-C 3.59Å; V323-L348 VanDerWaalsContact O-CA 3.25Å; V323-L348 WeakPolarHBondContact O-CA 3.39Å; V323-G349 PolarHBondContact N-O 2.77Å; V323-G349 PolarHBondContact O-N 3.12Å; V323-V351 HydrophobicContact CB-CG2 3.96Å; V323-V351 HydrophobicContact CG1-CG2 3.87Å; V323-V351 HydrophobicContact CG2-CG2 4.05Å; V323-L358 HydrophobicContact CG1-CD2 3.82Å |
| 324 | V | 95.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 114.8 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L262 M264 Y267 V327 F346 L348 Q360 | L262-V324 WeakPolarHBondContact O-CG2 3.21Å; L262-V324 PolarHBondContact O-N 3.27Å; M264-V324 HydrophobicContact CG-CG2 4.05Å; Y267-V324 HydrophobicContact CD2-CG1 4.42Å; Y267-V324 HydrophobicContact CD2-CG2 4.49Å; Y267-V324 HydrophobicContact CE2-CB 4.32Å; Y267-V324 HydrophobicContact CE2-CG1 3.94Å; Y267-V324 HydrophobicContact CE2-CG2 4.33Å; V324-V327 HydrophobicContact CG1-CG2 3.28Å; V324-F346 HydrophobicContact CG1-CD1 4.12Å; V324-F346 HydrophobicContact CG1-CE1 4.42Å; V324-F346 HydrophobicContact CG2-CD1 4.07Å; V324-F346 HydrophobicContact CG2-CE1 4.19Å; V324-L348 HydrophobicContact CB-CD2 4.35Å; V324-L348 HydrophobicContact CG2-CD2 3.67Å; V324-Q360 PolarHBondContact O-NE2 2.97Å |
| 325 | L | 93.6 | Very high | 89 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -42.9 | 173.4 | -60.5 | -174.1 | 0 | 0 | 0 | 111.5 | Q292 V323 V347 V351 L358 Q360 K361 | Q292-L325 HydrophobicContact CB-CD1 4.21Å; V323-L325 PolarHBondContact O-N 3.17Å; L325-V347 WeakPolarHBondContact CA-O 3.46Å; L325-V347 WeakPolarHBondContact CB-O 3.25Å; L325-V347 PolarHBondContact N-O 3.23Å; L325-V351 HydrophobicContact CD2-CG2 4.46Å; L325-L358 HydrophobicContact CD2-CD1 3.48Å; L325-L358 VanDerWaalsContact CD2-CD1 3.48Å; L325-L358 HydrophobicContact CD2-CD2 4.3Å; L325-L358 HydrophobicContact CD2-CG 4.37Å; L325-Q360 CarbonylContact O-C 3.43Å; L325-Q360 VanDerWaalsContact O-CA 3.24Å; L325-Q360 WeakPolarHBondContact O-CA 3.33Å; L325-K361 PolarHBondContact O-N 3.31Å |
| 326 | E | 95.6 | Very high | 89.3 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 34% | 0.341 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.5 | 177.7 | -45.1 | -164.6 | 152.9 | 0 | 0 | 111.7 | F346 V347 K361 | E326-F346 WeakPolarHBondContact O-CA 3.24Å; E326-V347 HydrophobicContact CB-CB 3.81Å; E326-V347 HydrophobicContact CB-CG2 3.91Å; E326-V347 HydrophobicContact CG-CB 3.97Å; E326-V347 HydrophobicContact CG-CG2 4.16Å; E326-V347 PolarHBondContact N-O 2.69Å; E326-V347 VanDerWaalsContact N-O 3.07Å; E326-V347 PolarHBondContact O-N 3.44Å; E326-K361 CarbonylContact C-O 3.55Å; E326-K361 WeakPolarHBondContact CA-O 3.5Å; E326-K361 HydrophobicContact CB-CB 4.24Å; E326-K361 HydrophobicContact CG-CB 3.86Å; E326-K361 HydrophobicContact CG-CD 4.38Å; E326-K361 VanDerWaalsContact OE1-CD 3.29Å; E326-K361 WeakPolarHBondContact OE1-CD 3.2Å |
| 327 | V | 96.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128.4 | 175 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | Y267 V324 Y329 L344 F346 K361 F362 E363 | Y267-V327 HydrophobicContact CD1-CG1 4.24Å; Y267-V327 HydrophobicContact CD1-CG2 4.18Å; Y267-V327 HydrophobicContact CD2-CG2 3.98Å; Y267-V327 HydrophobicContact CE1-CG2 4.19Å; Y267-V327 HydrophobicContact CE2-CG2 4.01Å; Y267-V327 HydrophobicContact CG-CG1 4.25Å; Y267-V327 HydrophobicContact CG-CG2 4.07Å; V324-V327 HydrophobicContact CG1-CG2 3.28Å; V327-Y329 HydrophobicContact CG1-CD2 3.95Å; V327-Y329 HydrophobicContact CG1-CE2 3.6Å; V327-L344 HydrophobicContact CG1-CD1 4.48Å; V327-L344 HydrophobicContact CG1-CD2 3.67Å; V327-L344 HydrophobicContact CG1-CG 4.3Å; V327-F346 HydrophobicContact CG1-CE1 4.31Å; V327-F346 HydrophobicContact CG2-CD1 4.01Å; V327-F346 HydrophobicContact CG2-CE1 3.93Å; V327-K361 PolarHBondContact N-O 3.38Å; V327-F362 HydrophobicContact CB-CD1 3.72Å; V327-F362 HydrophobicContact CB-CE1 4.12Å; V327-F362 HydrophobicContact CG2-CD1 3.87Å; V327-F362 HydrophobicContact CG2-CE1 3.71Å; V327-F362 CarbonylContact O-C 3.54Å; V327-F362 WeakPolarHBondContact O-CA 3.14Å; V327-E363 PolarHBondContact O-N 3.19Å |
| 328 | K | 96.4 | Very high | 90.8 | Very high | 85 Ų | 85 | 33.5 Ų | 33.5 | 37% | 0.37 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 112.1 | 176.1 | -177.7 | 170.2 | -171.3 | 131.7 | 0 | 110.6 | L344 S345 E363 | K328-L344 CarbonylContact O-C 3.51Å; K328-L344 WeakPolarHBondContact O-CA 3.45Å; K328-S345 PolarHBondContact N-O 3.47Å; K328-S345 PolarHBondContact O-N 3.05Å; K328-E363 CarbonylContact C-O 3.57Å; K328-E363 WeakPolarHBondContact CA-O 3.36Å; K328-E363 HydrophobicContact CB-CB 4.34Å; K328-E363 HydrophobicContact CG-CB 4.08Å; K328-E363 IonicContact NZ-OE2 2.85Å; K328-E363 PolarHBondContact NZ-OE2 2.63Å |
| 329 | Y | 95.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 137.6 | 172.5 | -69.7 | -81.4 | 0 | 0 | 0 | 110.8 | L220 F222 Y267 I284 V327 D343 L344 E363 I364 H365 | L220-Y329 HydrophobicContact CD1-CE1 4.24Å; F222-Y329 HydrophobicContact CD2-CD2 4Å; F222-Y329 HydrophobicContact CD2-CE2 4.11Å; F222-Y329 HydrophobicContact CE2-CD2 4.25Å; Y267-Y329 WeakPolarHBondContact CB-OH 3.28Å; Y267-Y329 PolarHBondContact O-OH 2.79Å; I284-Y329 HydrophobicContact CD1-CE1 4.23Å; V327-Y329 HydrophobicContact CG1-CD2 3.95Å; V327-Y329 HydrophobicContact CG1-CE2 3.6Å; Y329-D343 WeakPolarHBondContact CA-O 3.45Å; Y329-L344 HydrophobicContact CD1-CD1 3.85Å; Y329-L344 HydrophobicContact CD1-CG 3.95Å; Y329-L344 HydrophobicContact CE1-CD1 3.35Å; Y329-L344 HydrophobicContact CE1-CG 3.96Å; Y329-E363 PolarHBondContact N-O 2.75Å; Y329-I364 WeakPolarHBondContact O-CA 3.4Å; Y329-H365 PolarHBondContact O-N 2.86Å |
| 330 | S | 94.5 | Very high | 91.4 | Very high | 27 Ų | 27 | 32 Ų | 32 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 101.4 | 174.6 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | D343 H365 L367 | S330-D343 PolarHBondContact N-O 3Å; S330-D343 PolarHBondContact O-N 2.63Å; S330-H365 WeakPolarHBondContact CA-O 3.43Å; S330-L367 WeakPolarHBondContact OG-CD1 3.34Å |
| 331 | L | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132.4 | -177.5 | -68.1 | 84 | 0 | 0 | 0 | 109.9 | L213 I272 V339 K341 A342 I364 H365 F366 L367 | L213-L331 HydrophobicContact CD1-CD2 3.49Å; L213-L331 VanDerWaalsContact CD1-CD2 3.49Å; L213-L331 HydrophobicContact CD2-CD2 4.34Å; I272-L331 HydrophobicContact CD1-CD2 3.81Å; L331-V339 HydrophobicContact CD2-CG1 4.32Å; L331-K341 CarbonylContact C-O 3.56Å; L331-K341 WeakPolarHBondContact CA-O 3.04Å; L331-A342 HydrophobicContact CG-CB 4.38Å; L331-I364 HydrophobicContact CD1-CD1 3.7Å; L331-I364 HydrophobicContact CD1-CG1 3.72Å; L331-H365 PolarHBondContact N-O 3.36Å; L331-F366 HydrophobicContact CB-CD1 3.95Å; L331-F366 HydrophobicContact CB-CE1 4.12Å; L331-F366 HydrophobicContact CD2-CE1 4.02Å; L331-F366 HydrophobicContact CG-CE1 4.46Å; L331-F366 CarbonylContact O-C 3.5Å; L331-F366 WeakPolarHBondContact O-CA 3.46Å; L331-L367 PolarHBondContact O-N 3.47Å |
| 332 | T | 92.9 | Very high | 91.8 | Very high | 23 Ų | 23 | 34.7 Ų | 34.7 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.7 | 172.8 | -50 | 0 | 0 | 0 | 0 | 110.5 | T340 K341 L367 E369 | T332-T340 PolarHBondContact O-N 3.18Å; T332-T340 PolarHBondContact O-OG1 3.35Å; T332-K341 PolarHBondContact N-O 3.02Å; T332-K341 PolarHBondContact O-N 3.32Å; T332-L367 CarbonylContact C-O 3.58Å; T332-L367 WeakPolarHBondContact CA-O 3.05Å; T332-E369 HydrophobicContact CG2-CB 3.98Å; T332-E369 HydrophobicContact CG2-CG 4.32Å |
| 333 | Y | 90.9 | Very high | 92 | Very high | 40 Ų | 40 | 33.7 Ų | 33.7 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.1 | -178.3 | 73.3 | -79.6 | 0 | 0 | 0 | 112.9 | F239 L240 E338 F366 L367 Q368 E369 | F239-Y333 HydrophobicContact CE2-CG 4.16Å; F239-Y333 AromaticContact CZ-CD2 3.84Å; F239-Y333 HydrophobicContact CZ-CD2 3.84Å; F239-Y333 AromaticContact CZ-CG 3.95Å; F239-Y333 HydrophobicContact CZ-CG 3.95Å; L240-Y333 HydrophobicContact CD1-CE2 4.49Å; L240-Y333 HydrophobicContact CD2-CD1 3.87Å; L240-Y333 HydrophobicContact CD2-CD2 4.1Å; L240-Y333 HydrophobicContact CD2-CE1 3.41Å; L240-Y333 VanDerWaalsContact CD2-CE1 3.41Å; L240-Y333 HydrophobicContact CD2-CE2 3.69Å; L240-Y333 HydrophobicContact CD2-CG 4.21Å; Y333-E338 CarbonylContact C-O 3.49Å; Y333-E338 WeakPolarHBondContact CA-O 3.41Å; Y333-E338 WeakPolarHBondContact CB-O 3.47Å; Y333-F366 HydrophobicContact CD1-CB 4.08Å; Y333-F366 HydrophobicContact CE1-CB 3.92Å; Y333-L367 VanDerWaalsContact CD1-O 3.22Å; Y333-L367 WeakPolarHBondContact CD1-O 3.26Å; Y333-L367 PolarHBondContact N-O 2.04Å; Y333-Q368 HydrophobicContact CE1-CB 3.84Å; Y333-Q368 HydrophobicContact CE2-CB 4.14Å; Y333-Q368 HydrophobicContact CE2-CG 4.06Å; Y333-Q368 CarbonylContact O-C 3.58Å; Y333-Q368 WeakPolarHBondContact O-CA 3.09Å; Y333-E369 PolarHBondContact O-N 3.12Å |
| 334 | T | 87.6 | Confident | 92.1 | Very high | 20 Ų | 20 | 33.7 Ų | 33.7 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | trans | -89 | 163.3 | 176.7 | 54.8 | 0 | 0 | 0 | 0 | 112 | A336 G337 E338 T340 E369 | T334-A336 PolarHBondContact O-N 3.46Å; T334-G337 PolarHBondContact O-N 2.03Å; T334-E338 PolarHBondContact N-O 2.84Å; T334-E338 WeakPolarHBondContact OG1-CB 3.27Å; T334-E338 PolarHBondContact OG1-N 3.31Å; T334-E338 VanDerWaalsContact OG1-N 3.12Å; T334-E338 PolarHBondContact OG1-O 2.62Å; T334-T340 HydrophobicContact CG2-CG2 3.6Å; T334-E369 WeakPolarHBondContact CG2-OE2 3.03Å | ||
| 335 | D | 81.3 | Confident | 92.1 | Very high | 146 Ų | 146 | 35.4 Ų | 35.4 | 78% | 0.781 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.3 | 170.2 | 61.6 | -17.3 | 0 | 0 | 0 | 113.7 | G337 | D335-G337 VanDerWaalsContact C-N 3.25Å; D335-G337 PolarHBondContact O-N 2.04Å |
| 336 | A | 80.6 | Confident | 92.2 | Very high | 53 Ų | 53 | 34.5 Ų | 34.5 | 44% | 0.438 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K206 T334 E338 | K206-A336 WeakPolarHBondContact CB-O 3.08Å; T334-A336 PolarHBondContact O-N 3.46Å; A336-E338 HydrophobicContact CB-CG 4.36Å |
| 337 | G | 82.8 | Confident | 92.2 | Very high | 8 Ų | 8 | 32 Ų | 32 | 8% | 0.082 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 81 | 25.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y207 T334 D335 | Y207-G337 PolarHBondContact N-O 2.77Å; T334-G337 PolarHBondContact O-N 2.03Å; D335-G337 VanDerWaalsContact C-N 3.25Å; D335-G337 PolarHBondContact O-N 2.04Å |
| 338 | E | 91.1 | Very high | 92.2 | Very high | 54 Ų | 54 | 32 Ų | 32 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | trans | -96 | 136 | 172.6 | -46.1 | -170.5 | 153.9 | 0 | 0 | 110.9 | R274 V275 Y333 T334 A336 | R274-E338 HydrophobicContact CG-CB 4.11Å; R274-E338 IonicContact CZ-OE2 3.16Å; R274-E338 IonicContact NE-OE2 3.53Å; R274-E338 PolarHBondContact NE-OE2 3.27Å; R274-E338 IonicContact NH2-OE2 3.19Å; R274-E338 PolarHBondContact NH2-OE2 3.17Å; R274-E338 WeakPolarHBondContact O-CA 3.49Å; V275-E338 HydrophobicContact CG1-CB 3.93Å; V275-E338 HydrophobicContact CG1-CG 3.61Å; Y333-E338 CarbonylContact C-O 3.49Å; Y333-E338 WeakPolarHBondContact CA-O 3.41Å; Y333-E338 WeakPolarHBondContact CB-O 3.47Å; T334-E338 PolarHBondContact N-O 2.84Å; T334-E338 WeakPolarHBondContact OG1-CB 3.27Å; T334-E338 PolarHBondContact OG1-N 3.31Å; T334-E338 VanDerWaalsContact OG1-N 3.12Å; T334-E338 PolarHBondContact OG1-O 2.62Å; A336-E338 HydrophobicContact CB-CG 4.36Å | ||
| 339 | V | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 124.4 | 170.9 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | Y207 L213 F239 I272 R274 V282 L331 | Y207-V339 HydrophobicContact CD2-CG2 4.03Å; Y207-V339 HydrophobicContact CE2-CG2 4.06Å; L213-V339 HydrophobicContact CD2-CG2 3.91Å; F239-V339 HydrophobicContact CD2-CG2 4.32Å; F239-V339 HydrophobicContact CE2-CG2 4.01Å; I272-V339 HydrophobicContact CG2-CG1 4.48Å; R274-V339 WeakPolarHBondContact CG-O 3.46Å; R274-V339 PolarHBondContact O-N 3.23Å; V282-V339 WeakPolarHBondContact CG2-O 3.32Å; L331-V339 HydrophobicContact CD2-CG1 4.32Å |
| 340 | T | 92.3 | Very high | 91.7 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 26% | 0.258 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -29.1 | -177.7 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | T332 T334 | T332-T340 PolarHBondContact O-N 3.18Å; T332-T340 PolarHBondContact O-OG1 3.35Å; T334-T340 HydrophobicContact CG2-CG2 3.6Å |
| 341 | K | 93.8 | Very high | 91.3 | Very high | 88 Ų | 88 | 28.2 Ų | 28.2 | 38% | 0.383 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 144.4 | -179.9 | -158.6 | -172.9 | -176.9 | -150.4 | 0 | 110.8 | L331 T332 D343 | L331-K341 CarbonylContact C-O 3.56Å; L331-K341 WeakPolarHBondContact CA-O 3.04Å; T332-K341 PolarHBondContact N-O 3.02Å; T332-K341 PolarHBondContact O-N 3.32Å; K341-D343 WeakPolarHBondContact CD-OD2 3.32Å; K341-D343 WeakPolarHBondContact CE-OD1 3.31Å; K341-D343 VanDerWaalsContact CE-OD2 3.24Å; K341-D343 WeakPolarHBondContact CE-OD2 3.17Å; K341-D343 VanDerWaalsContact NZ-CG 3.33Å; K341-D343 IonicContact NZ-OD1 2.63Å; K341-D343 PolarHBondContact NZ-OD1 3.44Å; K341-D343 VanDerWaalsContact NZ-OD1 3.16Å; K341-D343 IonicContact NZ-OD2 2.78Å; K341-D343 PolarHBondContact NZ-OD2 3.22Å |
| 342 | A | 95.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 116.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | I272 V282 I284 T285 L331 | I272-A342 HydrophobicContact CD1-CB 3.83Å; V282-A342 HydrophobicContact CG1-CB 4.29Å; I284-A342 WeakPolarHBondContact CA-O 3.48Å; I284-A342 HydrophobicContact CG1-CB 3.94Å; T285-A342 PolarHBondContact N-O 3.01Å; L331-A342 HydrophobicContact CG-CB 4.38Å |
| 343 | D | 95.2 | Very high | 89.9 | Confident | 19 Ų | 19 | 31.7 Ų | 31.7 | 10% | 0.102 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 148.5 | -179.6 | -70.2 | -33.6 | 0 | 0 | 0 | 110.5 | T285 Q287 Y329 S330 K341 | T285-D343 CarbonylContact O-C 3.6Å; T285-D343 WeakPolarHBondContact O-CA 3.47Å; T285-D343 PolarHBondContact OG1-OD1 3.18Å; Q287-D343 HydrophobicContact CG-CB 3.59Å; Q287-D343 PolarHBondContact NE2-OD1 3.46Å; Y329-D343 WeakPolarHBondContact CA-O 3.45Å; S330-D343 PolarHBondContact N-O 3Å; S330-D343 PolarHBondContact O-N 2.63Å; K341-D343 WeakPolarHBondContact CD-OD2 3.32Å; K341-D343 WeakPolarHBondContact CE-OD1 3.31Å; K341-D343 VanDerWaalsContact CE-OD2 3.24Å; K341-D343 WeakPolarHBondContact CE-OD2 3.17Å; K341-D343 VanDerWaalsContact NZ-CG 3.33Å; K341-D343 IonicContact NZ-OD1 2.63Å; K341-D343 PolarHBondContact NZ-OD1 3.44Å; K341-D343 VanDerWaalsContact NZ-OD1 3.16Å; K341-D343 IonicContact NZ-OD2 2.78Å; K341-D343 PolarHBondContact NZ-OD2 3.22Å |
| 344 | L | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135 | -178 | -145 | 165 | 0 | 0 | 0 | 111.1 | Y267 I284 T285 V286 Q287 V327 K328 Y329 F346 | Y267-L344 WeakPolarHBondContact O-CD1 3.47Å; I284-L344 HydrophobicContact CG2-CB 3.81Å; I284-L344 HydrophobicContact CG2-CD1 3.68Å; I284-L344 HydrophobicContact CG2-CG 4.32Å; T285-L344 PolarHBondContact O-N 3.23Å; V286-L344 CarbonylContact C-O 3.57Å; V286-L344 WeakPolarHBondContact CA-O 3.4Å; Q287-L344 PolarHBondContact N-O 3.38Å; V327-L344 HydrophobicContact CG1-CD1 4.48Å; V327-L344 HydrophobicContact CG1-CD2 3.67Å; V327-L344 HydrophobicContact CG1-CG 4.3Å; K328-L344 CarbonylContact O-C 3.51Å; K328-L344 WeakPolarHBondContact O-CA 3.45Å; Y329-L344 HydrophobicContact CD1-CD1 3.85Å; Y329-L344 HydrophobicContact CD1-CG 3.95Å; Y329-L344 HydrophobicContact CE1-CD1 3.35Å; Y329-L344 HydrophobicContact CE1-CG 3.96Å; L344-F346 HydrophobicContact CD1-CE2 4.28Å; L344-F346 HydrophobicContact CD1-CZ 3.91Å; L344-F346 HydrophobicContact CD2-CD1 3.9Å; L344-F346 HydrophobicContact CD2-CD2 3.65Å; L344-F346 HydrophobicContact CD2-CE1 3.58Å; L344-F346 HydrophobicContact CD2-CE2 3.32Å; L344-F346 HydrophobicContact CD2-CG 3.96Å; L344-F346 HydrophobicContact CD2-CZ 3.3Å; L344-F346 HydrophobicContact CG-CE2 4.23Å; L344-F346 HydrophobicContact CG-CZ 4.19Å |
| 345 | S | 96.1 | Very high | 87.8 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135.7 | 173.9 | -69.1 | 0 | 0 | 0 | 0 | 110.1 | S288 K328 | S288-S345 WeakPolarHBondContact O-CA 3.29Å; S288-S345 WeakPolarHBondContact OG-CB 3.44Å; S288-S345 PolarHBondContact OG-OG 3.01Å; K328-S345 PolarHBondContact N-O 3.47Å; K328-S345 PolarHBondContact O-N 3.05Å |
| 346 | F | 96.3 | Very high | 87.3 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 145.2 | -177.9 | -68.6 | -80.8 | 0 | 0 | 0 | 112.4 | M264 Y267 V286 S288 V290 V324 E326 V327 L344 L348 | M264-F346 HydrophobicContact CB-CE1 4.37Å; M264-F346 HydrophobicContact CB-CE2 4.22Å; M264-F346 HydrophobicContact CB-CZ 4Å; M264-F346 HydrophobicContact CE-CD2 3.51Å; M264-F346 HydrophobicContact CE-CE2 3.67Å; M264-F346 HydrophobicContact CE-CG 4.25Å; M264-F346 HydrophobicContact CG-CD1 4.28Å; M264-F346 HydrophobicContact CG-CD2 4.25Å; M264-F346 HydrophobicContact CG-CE1 4.26Å; M264-F346 HydrophobicContact CG-CE2 4.21Å; M264-F346 HydrophobicContact CG-CG 4.26Å; M264-F346 HydrophobicContact CG-CZ 4.2Å; Y267-F346 AromaticContact CD2-CE1 3.89Å; Y267-F346 HydrophobicContact CD2-CE1 3.89Å; Y267-F346 HydrophobicContact CG-CE1 4.23Å; V286-F346 HydrophobicContact CG1-CD2 3.99Å; V286-F346 HydrophobicContact CG1-CE2 4.22Å; V286-F346 HydrophobicContact CG2-CE2 3.95Å; S288-F346 PolarHBondContact O-N 3.44Å; V290-F346 PolarHBondContact N-O 3.37Å; V324-F346 HydrophobicContact CG1-CD1 4.12Å; V324-F346 HydrophobicContact CG1-CE1 4.42Å; V324-F346 HydrophobicContact CG2-CD1 4.07Å; V324-F346 HydrophobicContact CG2-CE1 4.19Å; E326-F346 WeakPolarHBondContact O-CA 3.24Å; V327-F346 HydrophobicContact CG1-CE1 4.31Å; V327-F346 HydrophobicContact CG2-CD1 4.01Å; V327-F346 HydrophobicContact CG2-CE1 3.93Å; L344-F346 HydrophobicContact CD1-CE2 4.28Å; L344-F346 HydrophobicContact CD1-CZ 3.91Å; L344-F346 HydrophobicContact CD2-CD1 3.9Å; L344-F346 HydrophobicContact CD2-CD2 3.65Å; L344-F346 HydrophobicContact CD2-CE1 3.58Å; L344-F346 HydrophobicContact CD2-CE2 3.32Å; L344-F346 HydrophobicContact CD2-CG 3.96Å; L344-F346 HydrophobicContact CD2-CZ 3.3Å; L344-F346 HydrophobicContact CG-CE2 4.23Å; L344-F346 HydrophobicContact CG-CZ 4.19Å; F346-L348 HydrophobicContact CB-CD2 4.17Å |
| 347 | V | 95.6 | Very high | 87.3 | Confident | 22 Ų | 22 | 35.2 Ų | 35.2 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.7 | 156.3 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | V290 Q292 L298 L325 E326 | V290-V347 HydrophobicContact CB-CG2 4.37Å; V290-V347 CarbonylContact O-C 3.55Å; V290-V347 VanDerWaalsContact O-CA 3.3Å; V290-V347 WeakPolarHBondContact O-CA 3.08Å; Q292-V347 HydrophobicContact CB-CG1 4.04Å; L298-V347 HydrophobicContact CD2-CG1 4.35Å; L325-V347 WeakPolarHBondContact CA-O 3.46Å; L325-V347 WeakPolarHBondContact CB-O 3.25Å; L325-V347 PolarHBondContact N-O 3.23Å; E326-V347 HydrophobicContact CB-CB 3.81Å; E326-V347 HydrophobicContact CB-CG2 3.91Å; E326-V347 HydrophobicContact CG-CB 3.97Å; E326-V347 HydrophobicContact CG-CG2 4.16Å; E326-V347 PolarHBondContact N-O 2.69Å; E326-V347 VanDerWaalsContact N-O 3.07Å; E326-V347 PolarHBondContact O-N 3.44Å |
| 348 | L | 94.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 153.4 | 175 | -54.3 | -177 | 0 | 0 | 0 | 109.8 | M264 I289 V290 I291 Q292 L307 N322 V323 V324 F346 | M264-L348 HydrophobicContact CG-CD1 4.44Å; M264-L348 HydrophobicContact CG-CD2 3.81Å; M264-L348 HydrophobicContact SD-CD1 3.77Å; M264-L348 HydrophobicContact SD-CD2 4.18Å; M264-L348 HydrophobicContact SD-CG 4.48Å; I289-L348 HydrophobicContact CG2-CD1 3.71Å; I289-L348 HydrophobicContact CG2-CG 3.99Å; V290-L348 PolarHBondContact O-N 3.34Å; I291-L348 CarbonylContact C-O 3.55Å; I291-L348 WeakPolarHBondContact CA-O 3.35Å; Q292-L348 WeakPolarHBondContact CB-O 3.38Å; Q292-L348 PolarHBondContact N-O 2.86Å; L307-L348 HydrophobicContact CB-CD1 4.21Å; L307-L348 HydrophobicContact CD1-CD1 3.77Å; N322-L348 HydrophobicContact CB-CD1 4.49Å; V323-L348 CarbonylContact O-C 3.59Å; V323-L348 VanDerWaalsContact O-CA 3.25Å; V323-L348 WeakPolarHBondContact O-CA 3.39Å; V324-L348 HydrophobicContact CB-CD2 4.35Å; V324-L348 HydrophobicContact CG2-CD2 3.67Å; F346-L348 HydrophobicContact CB-CD2 4.17Å |
| 349 | G | 91.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -176.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q292 N322 V323 | Q292-G349 WeakPolarHBondContact O-CA 3.38Å; N322-G349 PolarHBondContact N-O 2.98Å; V323-G349 PolarHBondContact N-O 2.77Å; V323-G349 PolarHBondContact O-N 3.12Å |
| 350 | T | 89.6 | Confident | 87.4 | Confident | 35 Ų | 35 | 38.2 Ų | 38.2 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.4 | 175.3 | -55.3 | 0 | 0 | 0 | 0 | 109.6 | L294 L319 C320 V321 | L294-T350 HydrophobicContact CD2-CG2 4.12Å; L294-T350 WeakPolarHBondContact CD2-O 3Å; L294-T350 HydrophobicContact CG-CG2 4.4Å; L319-T350 HydrophobicContact CB-CG2 4.03Å; C320-T350 CarbonylContact O-C 3.58Å; C320-T350 VanDerWaalsContact O-CA 3.29Å; C320-T350 WeakPolarHBondContact O-CA 3.41Å; V321-T350 HydrophobicContact CG1-CG2 3.86Å |
| 351 | V | 87.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.8 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | L253 L319 C320 V323 L325 L358 | L253-V351 HydrophobicContact CD2-CG1 4.19Å; L319-V351 WeakPolarHBondContact CA-O 3.38Å; C320-V351 PolarHBondContact N-O 2.82Å; C320-V351 PolarHBondContact O-N 2.84Å; V323-V351 HydrophobicContact CB-CG2 3.96Å; V323-V351 HydrophobicContact CG1-CG2 3.87Å; V323-V351 HydrophobicContact CG2-CG2 4.05Å; L325-V351 HydrophobicContact CD2-CG2 4.46Å; V351-L358 HydrophobicContact CG2-CD1 3.77Å; V351-L358 HydrophobicContact CG2-CD2 4.26Å |
| 352 | S | 84.6 | Confident | 87.5 | Confident | 19 Ų | 19 | 34.5 Ų | 34.5 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | trans | -124.6 | 172.6 | 174.7 | 77.6 | 0 | 0 | 0 | 0 | 110.6 | V354 V355 | S352-V354 PolarHBondContact O-N 2.03Å; S352-V354 VanDerWaalsContact O-N 3.09Å; S352-V355 PolarHBondContact O-N 3.29Å | ||
| 353 | S | 73.2 | Confident | 87.4 | Confident | 77 Ų | 77 | 35.9 Ų | 35.9 | 54% | 0.538 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -63 | -18.6 | -177.7 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | L253 | L253-S353 VanDerWaalsContact CD1-CA 3.5Å; L253-S353 VanDerWaalsContact CD1-N 3.27Å |
| 354 | V | 67.7 | Low | 87.2 | Confident | 128 Ų | 128 | 35 Ų | 35 | 78% | 0.776 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -82.7 | -17.6 | 179 | -168.4 | 0 | 0 | 0 | 0 | 112 | S352 | S352-V354 PolarHBondContact O-N 2.03Å; S352-V354 VanDerWaalsContact O-N 3.09Å |
| 355 | V | 66.8 | Low | 86.9 | Confident | 73 Ų | 73 | 37.6 Ų | 37.6 | 44% | 0.442 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -106 | 15.8 | -173.2 | -161.5 | 0 | 0 | 0 | 0 | 111.7 | S352 P357 | S352-V355 PolarHBondContact O-N 3.29Å; V355-P357 CarbonylContact O-C 3.54Å |
| 356 | V | 70.8 | Confident | 86.4 | Confident | 56 Ų | 56 | 36.6 Ų | 36.6 | 34% | 0.339 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -94.5 | 129.6 | 174.7 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 357 | P | 79.1 | Confident | 86 | Confident | 76 Ų | 76 | 39.1 Ų | 39.1 | 49% | 0.494 | 22% | 0.222 | S | C | . | . | S | Bend | cis | -86.1 | 143.5 | 10.9 | 37.7 | -38 | 0 | 0 | 0 | 113.8 | T248 V355 Q359 | T248-P357 HydrophobicContact CG2-CB 3.38Å; T248-P357 HydrophobicContact CG2-CG 3.53Å; V355-P357 CarbonylContact O-C 3.54Å; P357-Q359 PolarHBondContact O-N 3.31Å |
| 358 | L | 87.8 | Confident | 85.4 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.1 | -176.8 | 179 | 66.7 | 0 | 0 | 0 | 110.1 | T248 R249 I251 L262 V323 L325 V351 Q360 | T248-L358 CarbonylContact C-O 3.24Å; T248-L358 VanDerWaalsContact CA-O 3.3Å; T248-L358 WeakPolarHBondContact CA-O 3.36Å; R249-L358 PolarHBondContact N-O 2.84Å; R249-L358 PolarHBondContact O-N 2.84Å; I251-L358 HydrophobicContact CD1-CB 3.53Å; I251-L358 HydrophobicContact CD1-CD2 3.38Å; I251-L358 HydrophobicContact CD1-CG 4.06Å; I251-L358 HydrophobicContact CG1-CB 4.44Å; L262-L358 HydrophobicContact CD2-CD2 4.08Å; V323-L358 HydrophobicContact CG1-CD2 3.82Å; L325-L358 HydrophobicContact CD2-CD1 3.48Å; L325-L358 VanDerWaalsContact CD2-CD1 3.48Å; L325-L358 HydrophobicContact CD2-CD2 4.3Å; L325-L358 HydrophobicContact CD2-CG 4.37Å; V351-L358 HydrophobicContact CG2-CD1 3.77Å; V351-L358 HydrophobicContact CG2-CD2 4.26Å; L358-Q360 HydrophobicContact CD2-CG 3.74Å; L358-Q360 HydrophobicContact CG-CG 4Å |
| 359 | Q | 89.4 | Confident | 84.9 | Confident | 118 Ų | 118 | 45.4 Ų | 45.4 | 55% | 0.551 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 124.7 | 167.9 | -174.7 | 172.3 | 89.5 | 0 | 0 | 109.7 | C247 P357 | C247-Q359 WeakPolarHBondContact O-CA 3.41Å; P357-Q359 PolarHBondContact O-N 3.31Å |
| 360 | Q | 92.6 | Very high | 84 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 151.5 | 174.6 | -63.7 | 179.6 | -75.5 | 0 | 0 | 110.1 | K246 C247 V324 L325 L358 F362 | K246-Q360 WeakPolarHBondContact CA-O 2.93Å; C247-Q360 PolarHBondContact N-O 3.49Å; C247-Q360 PolarHBondContact O-N 2.93Å; V324-Q360 PolarHBondContact O-NE2 2.97Å; L325-Q360 CarbonylContact O-C 3.43Å; L325-Q360 VanDerWaalsContact O-CA 3.24Å; L325-Q360 WeakPolarHBondContact O-CA 3.33Å; L358-Q360 HydrophobicContact CD2-CG 3.74Å; L358-Q360 HydrophobicContact CG-CG 4Å; Q360-F362 HydrophobicContact CB-CE2 3.52Å; Q360-F362 HydrophobicContact CB-CZ 3.73Å |
| 361 | K | 93.7 | Very high | 82.7 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 22% | 0.222 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133.1 | 179.4 | -169.9 | -169.6 | -172.9 | -159.1 | 0 | 110.4 | V245 K246 L325 E326 V327 E363 | V245-K361 WeakPolarHBondContact O-CA 3.47Å; K246-K361 HydrophobicContact CG-CB 4.31Å; K246-K361 HydrophobicContact CG-CG 3.98Å; L325-K361 PolarHBondContact O-N 3.31Å; E326-K361 CarbonylContact C-O 3.55Å; E326-K361 WeakPolarHBondContact CA-O 3.5Å; E326-K361 HydrophobicContact CB-CB 4.24Å; E326-K361 HydrophobicContact CG-CB 3.86Å; E326-K361 HydrophobicContact CG-CD 4.38Å; E326-K361 VanDerWaalsContact OE1-CD 3.29Å; E326-K361 WeakPolarHBondContact OE1-CD 3.2Å; V327-K361 PolarHBondContact N-O 3.38Å; K361-E363 WeakPolarHBondContact CE-OE1 3.09Å; K361-E363 IonicContact NZ-OE1 3.32Å; K361-E363 PolarHBondContact NZ-OE1 2.78Å |
| 362 | F | 93.8 | Very high | 81.2 | Confident | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.9 | 179.5 | -55.7 | -89.8 | 0 | 0 | 0 | 109.4 | F222 P223 A244 V245 C247 Y267 V327 Q360 | F222-F362 HydrophobicContact CD2-CB 4.38Å; F222-F362 HydrophobicContact CE1-CB 4.43Å; F222-F362 HydrophobicContact CE2-CB 3.67Å; F222-F362 HydrophobicContact CZ-CB 3.71Å; P223-F362 HydrophobicContact CB-CD1 4.36Å; P223-F362 HydrophobicContact CB-CD2 4.12Å; P223-F362 HydrophobicContact CB-CE1 4.13Å; P223-F362 HydrophobicContact CB-CE2 3.85Å; P223-F362 HydrophobicContact CB-CG 4.38Å; P223-F362 HydrophobicContact CB-CZ 3.86Å; P223-F362 HydrophobicContact CG-CD1 4.17Å; P223-F362 HydrophobicContact CG-CE1 3.83Å; P223-F362 HydrophobicContact CG-CE2 4.44Å; P223-F362 HydrophobicContact CG-CZ 3.97Å; A244-F362 CarbonylContact C-O 3.29Å; A244-F362 WeakPolarHBondContact CA-O 3.45Å; V245-F362 HydrophobicContact CG2-CB 3.8Å; V245-F362 HydrophobicContact CG2-CD2 4.41Å; V245-F362 PolarHBondContact N-O 2.83Å; V245-F362 PolarHBondContact O-N 2.89Å; C247-F362 VanDerWaalsContact SG-CE2 3.55Å; Y267-F362 HydrophobicContact CE1-CD1 4.25Å; Y267-F362 AromaticContact CE1-CE1 3.63Å; Y267-F362 HydrophobicContact CE1-CE1 3.63Å; Y267-F362 AromaticContact CZ-CE1 3.67Å; Y267-F362 WeakPolarHBondContact OH-CE1 3.46Å; V327-F362 HydrophobicContact CB-CD1 3.72Å; V327-F362 HydrophobicContact CB-CE1 4.12Å; V327-F362 HydrophobicContact CG2-CD1 3.87Å; V327-F362 HydrophobicContact CG2-CE1 3.71Å; V327-F362 CarbonylContact O-C 3.54Å; V327-F362 WeakPolarHBondContact O-CA 3.14Å; Q360-F362 HydrophobicContact CB-CE2 3.52Å; Q360-F362 HydrophobicContact CB-CZ 3.73Å |
| 363 | E | 93.3 | Very high | 79.6 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.2 | 176.9 | -71.9 | -178.9 | -161.9 | 0 | 0 | 109.9 | Q243 A244 V327 K328 Y329 K361 H365 | Q243-E363 CarbonylContact O-C 3.6Å; Q243-E363 VanDerWaalsContact O-CA 3.32Å; Q243-E363 WeakPolarHBondContact O-CA 3.46Å; A244-E363 HydrophobicContact CB-CG 3.85Å; V327-E363 PolarHBondContact O-N 3.19Å; K328-E363 CarbonylContact C-O 3.57Å; K328-E363 WeakPolarHBondContact CA-O 3.36Å; K328-E363 HydrophobicContact CB-CB 4.34Å; K328-E363 HydrophobicContact CG-CB 4.08Å; K328-E363 IonicContact NZ-OE2 2.85Å; K328-E363 PolarHBondContact NZ-OE2 2.63Å; Y329-E363 PolarHBondContact N-O 2.75Å; K361-E363 WeakPolarHBondContact CE-OE1 3.09Å; K361-E363 IonicContact NZ-OE1 3.32Å; K361-E363 PolarHBondContact NZ-OE1 2.78Å; E363-H365 IonicContact OE2-NE2 3.16Å |
| 364 | I | 91.2 | Very high | 78.8 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130.3 | 171.2 | -175.1 | 165.3 | 0 | 0 | 0 | 109.5 | L213 L220 F222 A237 N242 Q243 Y329 L331 F366 | L213-I364 HydrophobicContact CD1-CD1 4.44Å; L220-I364 HydrophobicContact CD2-CD1 4.33Å; F222-I364 HydrophobicContact CD2-CB 4.15Å; F222-I364 HydrophobicContact CD2-CG2 4.16Å; F222-I364 HydrophobicContact CE1-CG2 4.21Å; F222-I364 HydrophobicContact CE2-CB 3.73Å; F222-I364 HydrophobicContact CE2-CG2 3.72Å; F222-I364 HydrophobicContact CZ-CB 4.23Å; F222-I364 HydrophobicContact CZ-CG2 3.75Å; A237-I364 HydrophobicContact CB-CD1 3.95Å; N242-I364 WeakPolarHBondContact CA-O 3.27Å; Q243-I364 HydrophobicContact CB-CG2 3.9Å; Q243-I364 HydrophobicContact CG-CG2 4.43Å; Q243-I364 PolarHBondContact N-O 3.33Å; Q243-I364 VanDerWaalsContact N-O 3.1Å; Q243-I364 PolarHBondContact O-N 3.49Å; Y329-I364 WeakPolarHBondContact O-CA 3.4Å; L331-I364 HydrophobicContact CD1-CD1 3.7Å; L331-I364 HydrophobicContact CD1-CG1 3.72Å; I364-F366 HydrophobicContact CD1-CE2 4.2Å; I364-F366 HydrophobicContact CD1-CZ 3.95Å; I364-F366 HydrophobicContact CG1-CE2 4.04Å; I364-F366 HydrophobicContact CG1-CZ 4.23Å |
| 365 | H | 89.4 | Confident | 78.3 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 25% | 0.25 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.1 | 176.6 | -57.6 | -71.6 | 0 | 0 | 0 | 111.7 | N242 Y329 S330 L331 E363 | N242-H365 WeakPolarHBondContact OD1-CA 3.37Å; Y329-H365 PolarHBondContact O-N 2.86Å; S330-H365 WeakPolarHBondContact CA-O 3.43Å; L331-H365 PolarHBondContact N-O 3.36Å; E363-H365 IonicContact OE2-NE2 3.16Å |
| 366 | F | 86.6 | Confident | 77.7 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.3 | 175.7 | -62.9 | -91.9 | 0 | 0 | 0 | 110.1 | L213 A238 F239 L240 N242 L331 Y333 I364 | L213-F366 HydrophobicContact CD1-CE1 4.02Å; L213-F366 HydrophobicContact CD1-CZ 3.98Å; A238-F366 WeakPolarHBondContact O-CE2 3.13Å; A238-F366 VanDerWaalsContact O-CZ 3.24Å; A238-F366 WeakPolarHBondContact O-CZ 3.05Å; F239-F366 HydrophobicContact CD2-CD1 4.05Å; F239-F366 AromaticContact CD2-CE1 3.72Å; F239-F366 HydrophobicContact CD2-CE1 3.72Å; F239-F366 HydrophobicContact CE2-CD1 4.21Å; F239-F366 HydrophobicContact CE2-CE1 4.3Å; L240-F366 HydrophobicContact CD2-CB 3.85Å; L240-F366 HydrophobicContact CD2-CD1 4.32Å; L240-F366 HydrophobicContact CD2-CG 4.12Å; N242-F366 PolarHBondContact OD1-N 3.24Å; L331-F366 HydrophobicContact CB-CD1 3.95Å; L331-F366 HydrophobicContact CB-CE1 4.12Å; L331-F366 HydrophobicContact CD2-CE1 4.02Å; L331-F366 HydrophobicContact CG-CE1 4.46Å; L331-F366 CarbonylContact O-C 3.5Å; L331-F366 WeakPolarHBondContact O-CA 3.46Å; Y333-F366 HydrophobicContact CD1-CB 4.08Å; Y333-F366 HydrophobicContact CE1-CB 3.92Å; I364-F366 HydrophobicContact CD1-CE2 4.2Å; I364-F366 HydrophobicContact CD1-CZ 3.95Å; I364-F366 HydrophobicContact CG1-CE2 4.04Å; I364-F366 HydrophobicContact CG1-CZ 4.23Å |
| 367 | L | 86.9 | Confident | 76.9 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.4 | 179.8 | -48.5 | 174.8 | 0 | 0 | 0 | 108.3 | S330 L331 T332 Y333 P373 | S330-L367 WeakPolarHBondContact OG-CD1 3.34Å; L331-L367 PolarHBondContact O-N 3.47Å; T332-L367 CarbonylContact C-O 3.58Å; T332-L367 WeakPolarHBondContact CA-O 3.05Å; Y333-L367 VanDerWaalsContact CD1-O 3.22Å; Y333-L367 WeakPolarHBondContact CD1-O 3.26Å; Y333-L367 PolarHBondContact N-O 2.04Å; L367-P373 HydrophobicContact CD2-CG 3.55Å |
| 368 | Q | 83.6 | Confident | 75.9 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 135.3 | 175.7 | -171.8 | 178.9 | 10 | 0 | 0 | 109.8 | Y333 T371 | Y333-Q368 HydrophobicContact CE1-CB 3.84Å; Y333-Q368 HydrophobicContact CE2-CB 4.14Å; Y333-Q368 HydrophobicContact CE2-CG 4.06Å; Y333-Q368 CarbonylContact O-C 3.58Å; Y333-Q368 WeakPolarHBondContact O-CA 3.09Å; Q368-T371 HydrophobicContact CB-CG2 4.03Å; Q368-T371 WeakPolarHBondContact CB-OG1 3.04Å; Q368-T371 HydrophobicContact CG-CG2 4Å; Q368-T371 PolarHBondContact O-N 3.2Å; Q368-T371 PolarHBondContact O-OG1 2.84Å |
| 369 | E | 82.6 | Confident | 73.6 | Confident | 84 Ų | 84 | 67.1 Ų | 67.1 | 39% | 0.393 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 138.6 | -178.9 | -162.8 | 176.4 | -178.4 | 0 | 0 | 111.3 | T332 Y333 T334 T371 | T332-E369 HydrophobicContact CG2-CB 3.98Å; T332-E369 HydrophobicContact CG2-CG 4.32Å; Y333-E369 PolarHBondContact O-N 3.12Å; T334-E369 WeakPolarHBondContact CG2-OE2 3.03Å; E369-T371 PolarHBondContact O-N 2.99Å; E369-T371 VanDerWaalsContact O-N 3.15Å |
| 370 | N | 72.9 | Confident | 71.2 | Confident | 159 Ų | 159 | 67.7 Ų | 67.7 | 85% | 0.85 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 19.4 | -178.6 | -54.6 | -52.3 | 0 | 0 | 0 | 115.2 | ||
| 371 | T | 62.7 | Low | 68.9 | Low | 63 Ų | 63 | 69.4 Ų | 69.4 | 39% | 0.387 | 39% | 0.392 | S | S | . | . | trans | -117.6 | 151.4 | 173.1 | 73.5 | 0 | 0 | 0 | 0 | 110.7 | Q368 E369 P373 | Q368-T371 HydrophobicContact CB-CG2 4.03Å; Q368-T371 WeakPolarHBondContact CB-OG1 3.04Å; Q368-T371 HydrophobicContact CG-CG2 4Å; Q368-T371 PolarHBondContact O-N 3.2Å; Q368-T371 PolarHBondContact O-OG1 2.84Å; E369-T371 PolarHBondContact O-N 2.99Å; E369-T371 VanDerWaalsContact O-N 3.15Å; T371-P373 WeakPolarHBondContact O-CD 3.43Å | ||
| 372 | Q | 56.2 | Low | 67 | Low | 184 Ų | 184 | 76 Ų | 76 | 86% | 0.86 | 42% | 0.417 | S | S | * | . | trans | -94.9 | 108 | 160.9 | -74.8 | -174.1 | -3.4 | 0 | 0 | 107 | V374 | Q372-V374 PolarHBondContact O-N 3.5Å; Q372-V374 VanDerWaalsContact O-N 3.13Å | ||
| 373 | P | 51.3 | Low | 65 | Low | 74 Ų | 74 | 79.7 Ų | 79.7 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | trans | -65.9 | 117.6 | -179.8 | 20.3 | -24.8 | 0 | 0 | 0 | 109.2 | L367 T371 | L367-P373 HydrophobicContact CD2-CG 3.55Å; T371-P373 WeakPolarHBondContact O-CD 3.43Å | ||
| 374 | V | 57.1 | Low | 62.7 | Low | 93 Ų | 93 | 85.4 Ų | 85.4 | 56% | 0.564 | 48% | 0.476 | S | S | * | . | trans | -92.3 | 116.3 | 168.9 | -179.3 | 0 | 0 | 0 | 0 | 106.4 | Q372 L376 P387 | Q372-V374 PolarHBondContact O-N 3.5Å; Q372-V374 VanDerWaalsContact O-N 3.13Å; V374-L376 HydrophobicContact CG1-CD2 4.42Å; V374-L376 PolarHBondContact O-N 2.82Å; V374-P387 HydrophobicContact CG1-CG 4.02Å | ||
| 375 | P | 56 | Low | 60.7 | Low | 85 Ų | 85 | 89 Ų | 89 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | trans | -63.9 | 111.5 | 179 | 24.1 | -31 | 0 | 0 | 0 | 109.1 | L386 P387 | P375-L386 HydrophobicContact CB-CD1 4.4Å; P375-L386 HydrophobicContact CB-CD2 4.07Å; P375-L386 HydrophobicContact CG-CD2 4.02Å; P375-P387 WeakPolarHBondContact O-CD 3.25Å | ||
| 376 | L | 55.6 | Low | 59 | Low | 98 Ų | 98 | 89.4 Ų | 89.4 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | trans | -90.6 | 150.8 | 177.3 | -60.4 | 177.7 | 0 | 0 | 0 | 110.4 | V374 P387 A389 | V374-L376 HydrophobicContact CG1-CD2 4.42Å; V374-L376 PolarHBondContact O-N 2.82Å; L376-P387 CarbonylContact C-O 3.56Å; L376-P387 VanDerWaalsContact CA-O 3.29Å; L376-P387 WeakPolarHBondContact CA-O 3.48Å; L376-P387 HydrophobicContact CD2-CB 3.83Å; L376-P387 HydrophobicContact CD2-CG 4.47Å; L376-A389 HydrophobicContact CD1-CB 4.46Å | ||
| 377 | S | 53.1 | Low | 57.1 | Low | 10 Ų | 10 | 91.9 Ų | 91.9 | 7% | 0.07 | 54% | 0.535 | C | S | . | . | B | Isolated β-bridge | trans | -73.8 | 130.2 | 172.6 | -165.5 | 0 | 0 | 0 | 0 | 109.8 | Y382 V383 L386 P387 | S377-Y382 VanDerWaalsContact OG-CA 3.23Å; S377-Y382 WeakPolarHBondContact OG-CA 3.35Å; S377-V383 PolarHBondContact OG-N 2.83Å; S377-V383 PolarHBondContact OG-O 3.41Å; S377-V383 VanDerWaalsContact OG-O 3.05Å; S377-L386 WeakPolarHBondContact CB-O 3.38Å; S377-P387 PolarHBondContact N-O 3.29Å |
| 378 | G | 59.1 | Low | 55.5 | Low | 34 Ų | 34 | 93.6 Ų | 93.6 | 35% | 0.351 | 54% | 0.544 | S | S | . | . | B | Isolated β-bridge | trans | 167.6 | -178.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G381 | G378-G381 CarbonylContact C-O 3.55Å; G378-G381 VanDerWaalsContact C-O 3.29Å; G378-G381 PolarHBondContact N-O 2.54Å; G378-G381 PolarHBondContact O-N 2.86Å |
| 379 | N | 38.6 | Very low | 53.9 | Low | 130 Ų | 130 | 94.3 Ų | 94.3 | 70% | 0.695 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -18.6 | 118.3 | -173.6 | -163.8 | 15.2 | 0 | 0 | 0 | 116 | ||
| 380 | P | 38.7 | Very low | 52 | Low | 129 Ų | 129 | 95 Ų | 95 | 84% | 0.838 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -83.2 | 2.1 | 13.5 | 33 | -34.3 | 0 | 0 | 0 | 116.3 | ||
| 381 | G | 45 | Very low | 50.5 | Low | 37 Ų | 37 | 90.6 Ų | 90.6 | 38% | 0.381 | 57% | 0.574 | S | S | . | * | B | Isolated β-bridge | trans | 178.7 | 175.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G378 V383 | G378-G381 CarbonylContact C-O 3.55Å; G378-G381 VanDerWaalsContact C-O 3.29Å; G378-G381 PolarHBondContact N-O 2.54Å; G378-G381 PolarHBondContact O-N 2.86Å; G381-V383 PolarHBondContact O-N 3.47Å |
| 382 | Y | 52.8 | Low | 49.5 | Very low | 190 Ų | 190 | 93.3 Ų | 93.3 | 75% | 0.745 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 119.4 | 178.7 | -64.6 | -58.8 | 0 | 0 | 0 | 111.2 | S377 L388 | S377-Y382 VanDerWaalsContact OG-CA 3.23Å; S377-Y382 WeakPolarHBondContact OG-CA 3.35Å; Y382-L388 HydrophobicContact CD1-CD2 3.07Å; Y382-L388 HydrophobicContact CE1-CD2 3.21Å; Y382-L388 HydrophobicContact CG-CD2 3.94Å |
| 383 | V | 51.4 | Low | 48.7 | Very low | 78 Ų | 78 | 93 Ų | 93 | 47% | 0.473 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -90.4 | 125.8 | 174 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | S377 G381 G385 L386 | S377-V383 PolarHBondContact OG-N 2.83Å; S377-V383 PolarHBondContact OG-O 3.41Å; S377-V383 VanDerWaalsContact OG-O 3.05Å; G381-V383 PolarHBondContact O-N 3.47Å; V383-G385 PolarHBondContact O-N 3.26Å; V383-L386 HydrophobicContact CB-CD1 3.9Å; V383-L386 HydrophobicContact CB-CG 4.21Å; V383-L386 HydrophobicContact CG1-CD1 4.01Å; V383-L386 HydrophobicContact CG1-CG 4.15Å; V383-L386 HydrophobicContact CG2-CD1 4.38Å; V383-L386 PolarHBondContact O-N 3.33Å |
| 384 | V | 46.8 | Very low | 48.3 | Very low | 149 Ų | 149 | 94.1 Ų | 94.1 | 90% | 0.903 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 129.3 | 176.3 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 385 | G | 49 | Very low | 47.8 | Very low | 78 Ų | 78 | 97.9 Ų | 97.9 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.4 | -5.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V383 | V383-G385 PolarHBondContact O-N 3.26Š|
| 386 | L | 52.7 | Low | 47.4 | Very low | 62 Ų | 62 | 104.5 Ų | 104.5 | 33% | 0.325 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -99.4 | 143.6 | 172.1 | -62.2 | -173.1 | 0 | 0 | 0 | 111.3 | P375 S377 V383 | P375-L386 HydrophobicContact CB-CD1 4.4Å; P375-L386 HydrophobicContact CB-CD2 4.07Å; P375-L386 HydrophobicContact CG-CD2 4.02Å; S377-L386 WeakPolarHBondContact CB-O 3.38Å; V383-L386 HydrophobicContact CB-CD1 3.9Å; V383-L386 HydrophobicContact CB-CG 4.21Å; V383-L386 HydrophobicContact CG1-CD1 4.01Å; V383-L386 HydrophobicContact CG1-CG 4.15Å; V383-L386 HydrophobicContact CG2-CD1 4.38Å; V383-L386 PolarHBondContact O-N 3.33Å |
| 387 | P | 48.1 | Very low | 46.9 | Very low | 66 Ų | 66 | 102.5 Ų | 102.5 | 43% | 0.429 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 146.4 | 178.4 | -19.7 | 32.6 | 0 | 0 | 0 | 113.2 | V374 P375 L376 S377 | V374-P387 HydrophobicContact CG1-CG 4.02Å; P375-P387 WeakPolarHBondContact O-CD 3.25Å; L376-P387 CarbonylContact C-O 3.56Å; L376-P387 VanDerWaalsContact CA-O 3.29Å; L376-P387 WeakPolarHBondContact CA-O 3.48Å; L376-P387 HydrophobicContact CD2-CB 3.83Å; L376-P387 HydrophobicContact CD2-CG 4.47Å; S377-P387 PolarHBondContact N-O 3.29Å |
| 388 | L | 51.6 | Low | 47.1 | Very low | 94 Ų | 94 | 105.5 Ų | 105.5 | 49% | 0.492 | 65% | 0.653 | S | S | . | * | B | Isolated β-bridge | trans | -93.4 | 143.5 | 178.8 | -64.3 | 167 | 0 | 0 | 0 | 111.5 | Y382 | Y382-L388 HydrophobicContact CD1-CD2 3.07Å; Y382-L388 HydrophobicContact CE1-CD2 3.21Å; Y382-L388 HydrophobicContact CG-CD2 3.94Å |
| 389 | A | 49.9 | Very low | 46.9 | Very low | 84 Ų | 84 | 109 Ų | 109 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 119.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L376 | L376-A389 HydrophobicContact CD1-CB 4.46Š|
| 390 | A | 43.7 | Very low | 48.2 | Very low | 98 Ų | 98 | 107.4 Ų | 107.4 | 81% | 0.81 | 67% | 0.67 | S | S | * | * | trans | -115.6 | 141.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 391 | G | 40.2 | Very low | 49.9 | Very low | 67 Ų | 67 | 105.3 Ų | 105.3 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | trans | -142 | 155.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 392 | F | 42.1 | Very low | 51.4 | Low | 120 Ų | 120 | 105.8 Ų | 105.8 | 53% | 0.526 | 65% | 0.653 | S | S | . | * | trans | -95.7 | 138.9 | 172 | -64 | -74.5 | 0 | 0 | 0 | 109.2 | P394 L412 | F392-P394 WeakPolarHBondContact O-CD 3.03Å; F392-L412 HydrophobicContact CE1-CD1 3.81Å; F392-L412 HydrophobicContact CE1-CD2 3.81Å; F392-L412 HydrophobicContact CE1-CG 4.31Å; F392-L412 HydrophobicContact CE2-CD1 3.52Å; F392-L412 HydrophobicContact CZ-CD1 2.97Å; F392-L412 HydrophobicContact CZ-CD2 3.56Å; F392-L412 HydrophobicContact CZ-CG 3.81Å | ||
| 393 | Q | 39.5 | Very low | 52.6 | Low | 176 Ų | 176 | 103.7 Ų | 103.7 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | trans | -78.9 | 107.6 | 158 | -171 | 173.4 | 17.7 | 0 | 0 | 107.1 | H395 | Q393-H395 PolarHBondContact O-N 3.03Š| ||
| 394 | P | 44 | Very low | 53.9 | Low | 99 Ų | 99 | 103.3 Ų | 103.3 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | trans | -64.9 | 121 | 172.4 | 25.7 | -30.8 | 0 | 0 | 0 | 107.9 | F392 K396 | F392-P394 WeakPolarHBondContact O-CD 3.03Å; P394-K396 PolarHBondContact O-N 2.83Å | ||
| 395 | H | 46.9 | Very low | 55.5 | Low | 171 Ų | 171 | 98.1 Ų | 98.1 | 79% | 0.792 | 61% | 0.614 | S | S | * | * | trans | -58 | 124.7 | 159.6 | -75.2 | -62.3 | 0 | 0 | 0 | 106.7 | Q393 G397 | Q393-H395 PolarHBondContact O-N 3.03Å; H395-G397 VanDerWaalsContact C-N 3.33Å; H395-G397 PolarHBondContact O-N 3.34Å | ||
| 396 | K | 46.2 | Very low | 57 | Low | 225 Ų | 225 | 95.4 Ų | 95.4 | 98% | 0.978 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -55.2 | 97.4 | 173.3 | -79.3 | -177.9 | 175.2 | 178.9 | 0 | 108.6 | P394 | P394-K396 PolarHBondContact O-N 2.83Š|
| 397 | G | 44.6 | Very low | 58.3 | Low | 56 Ų | 56 | 97.9 Ų | 97.9 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | trans | 178 | 97.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H395 | H395-G397 VanDerWaalsContact C-N 3.33Å; H395-G397 PolarHBondContact O-N 3.34Å | ||
| 398 | G | 57.3 | Low | 59.9 | Low | 73 Ų | 73 | 99.9 Ų | 99.9 | 75% | 0.753 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 63.5 | 158.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | L400 | G398-L400 PolarHBondContact O-N 2.87Š|
| 399 | A | 56.5 | Low | 61.4 | Low | 106 Ų | 106 | 95.9 Ų | 95.9 | 88% | 0.876 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 121.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 400 | L | 64.5 | Low | 62.9 | Low | 98 Ų | 98 | 96.9 Ų | 96.9 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -77.1 | 131.5 | 176.3 | -66.1 | 172 | 0 | 0 | 0 | 109.6 | G398 C402 L404 V405 | G398-L400 PolarHBondContact O-N 2.87Å; L400-C402 PolarHBondContact O-N 3.27Å; L400-L404 HydrophobicContact CD2-CD2 3.91Å; L400-V405 HydrophobicContact CB-CG2 3.85Å; L400-V405 HydrophobicContact CD1-CG2 4.48Å |
| 401 | P | 74.9 | Confident | 64.7 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 139.2 | 173.9 | -22.3 | 32.1 | 0 | 0 | 0 | 110.9 | Q403 L404 V405 | P401-Q403 PolarHBondContact O-N 3.31Å; P401-Q403 VanDerWaalsContact O-N 3.07Å; P401-L404 WeakPolarHBondContact O-CB 3.31Å; P401-L404 PolarHBondContact O-N 3.07Å; P401-V405 PolarHBondContact O-N 3.15Å |
| 402 | C | 76.2 | Confident | 66.7 | Low | 47 Ų | 47 | 96 Ų | 96 | 32% | 0.318 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -46.6 | -42.5 | 177.9 | 169.7 | 0 | 0 | 0 | 0 | 112.8 | L400 L404 V405 A406 C452 | L400-C402 PolarHBondContact O-N 3.27Å; C402-L404 VanDerWaalsContact C-N 3.31Å; C402-L404 PolarHBondContact O-N 3.24Å; C402-V405 PolarHBondContact O-N 3.06Å; C402-A406 WeakPolarHBondContact O-CB 3.26Å; C402-A406 PolarHBondContact O-N 2.87Å; C402-C452 HydrophobicContact CB-CB 3.76Å; C402-C452 WeakPolarHBondContact CB-SG 3.43Å; C402-C452 WeakPolarHBondContact SG-CA 3.4Å; C402-C452 WeakPolarHBondContact SG-CB 3.43Å; C402-C452 CovalentContact SG-SG 2.01Å; C402-C452 PolarHBondContact SG-SG 2.86Å |
| 403 | Q | 77.8 | Confident | 68.6 | Low | 145 Ų | 145 | 90.7 Ų | 90.7 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -36 | -178.8 | -171.9 | 167.2 | -17.6 | 0 | 0 | 113 | P401 Q407 | P401-Q403 PolarHBondContact O-N 3.31Å; P401-Q403 VanDerWaalsContact O-N 3.07Å; Q403-Q407 WeakPolarHBondContact O-CG 3.47Å; Q403-Q407 PolarHBondContact O-N 2.78Å |
| 404 | L | 79.3 | Confident | 70.6 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 37% | 0.372 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.9 | -38.4 | 177.7 | -174.1 | 63.5 | 0 | 0 | 0 | 111.1 | L400 P401 C402 Q407 K408 | L400-L404 HydrophobicContact CD2-CD2 3.91Å; P401-L404 WeakPolarHBondContact O-CB 3.31Å; P401-L404 PolarHBondContact O-N 3.07Å; C402-L404 VanDerWaalsContact C-N 3.31Å; C402-L404 PolarHBondContact O-N 3.24Å; L404-Q407 PolarHBondContact O-N 3.39Å; L404-K408 PolarHBondContact O-N 3.4Å |
| 405 | V | 80 | Confident | 72.1 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 24% | 0.242 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64 | -46 | 173.2 | -178.5 | 0 | 0 | 0 | 0 | 110 | L400 P401 C402 Q407 K408 V409 L454 | L400-V405 HydrophobicContact CB-CG2 3.85Å; L400-V405 HydrophobicContact CD1-CG2 4.48Å; P401-V405 PolarHBondContact O-N 3.15Å; C402-V405 PolarHBondContact O-N 3.06Å; V405-Q407 VanDerWaalsContact C-N 3.3Å; V405-Q407 PolarHBondContact O-N 2.85Å; V405-K408 PolarHBondContact O-N 2.69Å; V405-V409 HydrophobicContact CG1-CG2 4.1Å; V405-V409 WeakPolarHBondContact O-CB 3.36Å; V405-V409 VanDerWaalsContact O-CG2 3.27Å; V405-V409 WeakPolarHBondContact O-CG2 3.42Å; V405-V409 PolarHBondContact O-N 3.4Å; V405-L454 HydrophobicContact CB-CD2 4.07Å; V405-L454 HydrophobicContact CG1-CD1 4.3Å; V405-L454 HydrophobicContact CG1-CD2 3.89Å |
| 406 | A | 80.6 | Confident | 73.2 | Confident | 20 Ų | 20 | 82.9 Ų | 82.9 | 17% | 0.165 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -56.9 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C402 V409 K410 L454 | C402-A406 WeakPolarHBondContact O-CB 3.26Å; C402-A406 PolarHBondContact O-N 2.87Å; A406-V409 PolarHBondContact O-N 3Å; A406-K410 WeakPolarHBondContact O-CB 3.15Å; A406-K410 PolarHBondContact O-N 2.95Å; A406-L454 HydrophobicContact CB-CD2 3.86Å |
| 407 | Q | 81.1 | Confident | 74.4 | Confident | 115 Ų | 115 | 75.9 Ų | 75.9 | 54% | 0.537 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 176.7 | -77.4 | 179.4 | -10.3 | 0 | 0 | 112.4 | Q403 L404 V405 K410 S411 | Q403-Q407 WeakPolarHBondContact O-CG 3.47Å; Q403-Q407 PolarHBondContact O-N 2.78Å; L404-Q407 PolarHBondContact O-N 3.39Å; V405-Q407 VanDerWaalsContact C-N 3.3Å; V405-Q407 PolarHBondContact O-N 2.85Å; Q407-K410 PolarHBondContact O-N 2.03Å; Q407-S411 PolarHBondContact O-N 2.94Å |
| 408 | K | 81.3 | Confident | 76 | Confident | 108 Ų | 108 | 75.8 Ų | 75.8 | 47% | 0.47 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 175.1 | -78.7 | -164.4 | 173.4 | -166.4 | 0 | 111.1 | L404 V405 K410 S411 L412 | L404-K408 PolarHBondContact O-N 3.4Å; V405-K408 PolarHBondContact O-N 2.69Å; K408-K410 VanDerWaalsContact C-N 3.33Å; K408-K410 PolarHBondContact O-N 3.13Å; K408-S411 PolarHBondContact O-N 3.46Å; K408-S411 VanDerWaalsContact O-N 3.11Å; K408-S411 PolarHBondContact O-OG 3.37Å; K408-L412 WeakPolarHBondContact O-CG 3.27Å; K408-L412 PolarHBondContact O-N 2.87Å; K408-L412 VanDerWaalsContact O-N 3.08Å |
| 409 | V | 82.4 | Confident | 77 | Confident | 10 Ų | 10 | 75.4 Ų | 75.4 | 6% | 0.061 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62 | -42.4 | 179.7 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | V405 A406 S411 L412 L413 P455 I502 | V405-V409 HydrophobicContact CG1-CG2 4.1Å; V405-V409 WeakPolarHBondContact O-CB 3.36Å; V405-V409 VanDerWaalsContact O-CG2 3.27Å; V405-V409 WeakPolarHBondContact O-CG2 3.42Å; V405-V409 PolarHBondContact O-N 3.4Å; A406-V409 PolarHBondContact O-N 3Å; V409-S411 PolarHBondContact O-N 3.36Å; V409-L412 WeakPolarHBondContact O-CB 3.41Å; V409-L412 PolarHBondContact O-N 3.39Å; V409-L413 HydrophobicContact CG1-CD1 4.3Å; V409-L413 PolarHBondContact O-N 3.32Å; V409-L413 VanDerWaalsContact O-N 3.08Å; V409-P455 HydrophobicContact CB-CG 4.17Å; V409-P455 HydrophobicContact CG1-CG 4.03Å; V409-P455 WeakPolarHBondContact CG1-O 3.36Å; V409-I502 HydrophobicContact CB-CD1 4.43Å; V409-I502 HydrophobicContact CG1-CD1 3.63Å; V409-I502 HydrophobicContact CG1-CG1 3.82Å; V409-I502 HydrophobicContact CG1-CG2 4.3Å; V409-I502 HydrophobicContact CG2-CD1 4.06Å |
| 410 | K | 82.7 | Confident | 78 | Confident | 104 Ų | 104 | 75.2 Ų | 75.2 | 45% | 0.452 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.2 | -48 | 172.6 | -173.9 | 172.5 | 179.8 | -177.3 | 0 | 111.2 | A406 Q407 K408 L412 L413 W414 P455 L484 | A406-K410 WeakPolarHBondContact O-CB 3.15Å; A406-K410 PolarHBondContact O-N 2.95Å; Q407-K410 PolarHBondContact O-N 2.03Å; K408-K410 VanDerWaalsContact C-N 3.33Å; K408-K410 PolarHBondContact O-N 3.13Å; K410-L412 PolarHBondContact O-N 2.78Å; K410-L413 PolarHBondContact O-N 3.01Å; K410-W414 VanDerWaalsContact CG-CD1 3.47Å; K410-W414 PolarHBondContact O-N 3.36Å; K410-W414 VanDerWaalsContact O-N 3.09Å; K410-P455 HydrophobicContact CB-CG 4.04Å; K410-L484 HydrophobicContact CD-CD2 4.27Å; K410-L484 HydrophobicContact CG-CD2 4.22Å |
| 411 | S | 81 | Confident | 78.8 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 48% | 0.483 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -30.3 | -179.9 | 71.7 | 0 | 0 | 0 | 0 | 113.6 | Q407 K408 V409 G415 | Q407-S411 PolarHBondContact O-N 2.94Å; K408-S411 PolarHBondContact O-N 3.46Å; K408-S411 VanDerWaalsContact O-N 3.11Å; K408-S411 PolarHBondContact O-OG 3.37Å; V409-S411 PolarHBondContact O-N 3.36Å; S411-G415 WeakPolarHBondContact O-CA 3.47Å; S411-G415 PolarHBondContact O-N 3.39Å |
| 412 | L | 81.1 | Confident | 79.2 | Confident | 77 Ų | 77 | 74.4 Ų | 74.4 | 40% | 0.403 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.5 | -43.7 | 175.5 | -62.7 | 159.1 | 0 | 0 | 0 | 112 | F392 K408 V409 K410 W414 G415 I502 | F392-L412 HydrophobicContact CE1-CD1 3.81Å; F392-L412 HydrophobicContact CE1-CD2 3.81Å; F392-L412 HydrophobicContact CE1-CG 4.31Å; F392-L412 HydrophobicContact CE2-CD1 3.52Å; F392-L412 HydrophobicContact CZ-CD1 2.97Å; F392-L412 HydrophobicContact CZ-CD2 3.56Å; F392-L412 HydrophobicContact CZ-CG 3.81Å; K408-L412 WeakPolarHBondContact O-CG 3.27Å; K408-L412 PolarHBondContact O-N 2.87Å; K408-L412 VanDerWaalsContact O-N 3.08Å; V409-L412 WeakPolarHBondContact O-CB 3.41Å; V409-L412 PolarHBondContact O-N 3.39Å; K410-L412 PolarHBondContact O-N 2.78Å; L412-W414 VanDerWaalsContact C-N 3.32Å; L412-W414 PolarHBondContact O-N 3.1Å; L412-G415 PolarHBondContact O-N 3.21Å; L412-I502 HydrophobicContact CD1-CD1 4.24Å |
| 413 | L | 83.3 | Confident | 79.2 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | -179.2 | -80.4 | 172.7 | 0 | 0 | 0 | 111.4 | V409 K410 P455 L458 L484 I502 | V409-L413 HydrophobicContact CG1-CD1 4.3Å; V409-L413 PolarHBondContact O-N 3.32Å; V409-L413 VanDerWaalsContact O-N 3.08Å; K410-L413 PolarHBondContact O-N 3.01Å; L413-P455 HydrophobicContact CD1-CB 3.96Å; L413-P455 HydrophobicContact CD1-CG 4.5Å; L413-P455 WeakPolarHBondContact CD1-O 3.3Å; L413-L458 HydrophobicContact CB-CB 4.17Å; L413-L458 HydrophobicContact CD2-CB 3.91Å; L413-L458 HydrophobicContact CG-CB 4.49Å; L413-L458 WeakPolarHBondContact O-CD2 3.47Å; L413-L484 HydrophobicContact CB-CD1 4.43Å; L413-L484 HydrophobicContact CD1-CD1 3.64Å; L413-I502 HydrophobicContact CD1-CG2 4.06Å; L413-I502 HydrophobicContact CD2-CG2 3.24Å; L413-I502 HydrophobicContact CG-CG2 3.53Å |
| 414 | W | 81.1 | Confident | 79 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 15% | 0.152 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -81.6 | -21.4 | 176.8 | -64.3 | 108.4 | 0 | 0 | 0 | 113.4 | K410 L412 F418 F441 L458 A482 L484 | K410-W414 VanDerWaalsContact CG-CD1 3.47Å; K410-W414 PolarHBondContact O-N 3.36Å; K410-W414 VanDerWaalsContact O-N 3.09Å; L412-W414 VanDerWaalsContact C-N 3.32Å; L412-W414 PolarHBondContact O-N 3.1Å; W414-F418 HydrophobicContact CB-CB 4.29Å; W414-F418 HydrophobicContact CE3-CB 4.25Å; W414-F418 AromaticContact CE3-CD1 3.6Å; W414-F418 HydrophobicContact CE3-CD1 3.6Å; W414-F418 AromaticContact CE3-CD2 3.64Å; W414-F418 HydrophobicContact CE3-CD2 3.64Å; W414-F418 AromaticContact CE3-CE1 3.76Å; W414-F418 HydrophobicContact CE3-CE1 3.76Å; W414-F418 AromaticContact CE3-CE2 3.77Å; W414-F418 HydrophobicContact CE3-CE2 3.77Å; W414-F418 AromaticContact CE3-CG 3.53Å; W414-F418 HydrophobicContact CE3-CG 3.53Å; W414-F418 AromaticContact CE3-CZ 3.83Å; W414-F418 HydrophobicContact CE3-CZ 3.83Å; W414-F418 AromaticContact CZ3-CD1 3.78Å; W414-F418 HydrophobicContact CZ3-CD1 3.78Å; W414-F418 HydrophobicContact CZ3-CD2 4.27Å; W414-F418 AromaticContact CZ3-CE1 3.49Å; W414-F418 HydrophobicContact CZ3-CE1 3.49Å; W414-F418 VanDerWaalsContact CZ3-CE1 3.49Å; W414-F418 AromaticContact CZ3-CE2 4Å; W414-F418 HydrophobicContact CZ3-CE2 4Å; W414-F418 HydrophobicContact CZ3-CG 4.16Å; W414-F418 AromaticContact CZ3-CZ 3.59Å; W414-F418 HydrophobicContact CZ3-CZ 3.59Å; W414-F418 WeakPolarHBondContact O-CB 3.28Å; W414-F418 WeakPolarHBondContact O-CD2 3.17Å; W414-F441 HydrophobicContact CE3-CE1 4.26Å; W414-F441 AromaticContact CH2-CD1 3.43Å; W414-F441 HydrophobicContact CH2-CD1 3.43Å; W414-F441 VanDerWaalsContact CH2-CD1 3.43Å; W414-F441 AromaticContact CH2-CE1 3.81Å; W414-F441 HydrophobicContact CH2-CE1 3.81Å; W414-F441 HydrophobicContact CZ2-CD1 4.23Å; W414-F441 AromaticContact CZ3-CD1 3.67Å; W414-F441 HydrophobicContact CZ3-CD1 3.67Å; W414-F441 AromaticContact CZ3-CE1 3.51Å; W414-F441 HydrophobicContact CZ3-CE1 3.51Å; W414-L458 HydrophobicContact CD2-CD2 4.25Å; W414-L458 HydrophobicContact CE3-CD1 4.18Å; W414-L458 HydrophobicContact CE3-CD2 3.82Å; W414-L458 HydrophobicContact CH2-CD1 3.35Å; W414-L458 HydrophobicContact CH2-CD2 4.49Å; W414-L458 HydrophobicContact CZ2-CD1 3.75Å; W414-L458 HydrophobicContact CZ3-CD1 3.6Å; W414-L458 HydrophobicContact CZ3-CD2 3.95Å; W414-L458 HydrophobicContact CZ3-CG 4.45Å; W414-A482 HydrophobicContact CH2-CB 3.74Å; W414-A482 HydrophobicContact CZ3-CB 3.77Å; W414-L484 HydrophobicContact CZ2-CB 4.09Å; W414-L484 HydrophobicContact CZ2-CD1 4.5Å; W414-L484 HydrophobicContact CZ2-CD2 4.42Å |
| 415 | G | 74.9 | Confident | 78.8 | Confident | 42 Ų | 42 | 65.6 Ų | 65.6 | 43% | 0.433 | 36% | 0.361 | S | S | . | . | trans | 65.5 | -171.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S411 L412 | S411-G415 WeakPolarHBondContact O-CA 3.47Å; S411-G415 PolarHBondContact O-N 3.39Å; L412-G415 PolarHBondContact O-N 3.21Å | ||
| 416 | Q | 70.7 | Confident | 78.2 | Confident | 201 Ų | 201 | 68.3 Ų | 68.3 | 94% | 0.939 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -88.7 | 126.7 | 171.7 | -71.9 | -173.5 | -7.9 | 0 | 0 | 109.9 | ||
| 417 | G | 70.9 | Confident | 77.6 | Confident | 77 Ų | 77 | 73.6 Ų | 73.6 | 79% | 0.794 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 76.2 | 40.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 418 | F | 77.6 | Confident | 76.9 | Confident | 54 Ų | 54 | 69.8 Ų | 69.8 | 24% | 0.237 | 41% | 0.409 | C | S | . | . | trans | -58.4 | 129.2 | 174.3 | -163.9 | -91.9 | 0 | 0 | 0 | 110.6 | W414 I439 F441 L458 I460 A482 | W414-F418 HydrophobicContact CB-CB 4.29Å; W414-F418 HydrophobicContact CE3-CB 4.25Å; W414-F418 AromaticContact CE3-CD1 3.6Å; W414-F418 HydrophobicContact CE3-CD1 3.6Å; W414-F418 AromaticContact CE3-CD2 3.64Å; W414-F418 HydrophobicContact CE3-CD2 3.64Å; W414-F418 AromaticContact CE3-CE1 3.76Å; W414-F418 HydrophobicContact CE3-CE1 3.76Å; W414-F418 AromaticContact CE3-CE2 3.77Å; W414-F418 HydrophobicContact CE3-CE2 3.77Å; W414-F418 AromaticContact CE3-CG 3.53Å; W414-F418 HydrophobicContact CE3-CG 3.53Å; W414-F418 AromaticContact CE3-CZ 3.83Å; W414-F418 HydrophobicContact CE3-CZ 3.83Å; W414-F418 AromaticContact CZ3-CD1 3.78Å; W414-F418 HydrophobicContact CZ3-CD1 3.78Å; W414-F418 HydrophobicContact CZ3-CD2 4.27Å; W414-F418 AromaticContact CZ3-CE1 3.49Å; W414-F418 HydrophobicContact CZ3-CE1 3.49Å; W414-F418 VanDerWaalsContact CZ3-CE1 3.49Å; W414-F418 AromaticContact CZ3-CE2 4Å; W414-F418 HydrophobicContact CZ3-CE2 4Å; W414-F418 HydrophobicContact CZ3-CG 4.16Å; W414-F418 AromaticContact CZ3-CZ 3.59Å; W414-F418 HydrophobicContact CZ3-CZ 3.59Å; W414-F418 WeakPolarHBondContact O-CB 3.28Å; W414-F418 WeakPolarHBondContact O-CD2 3.17Å; F418-I439 HydrophobicContact CE1-CD1 4.04Å; F418-I439 HydrophobicContact CE1-CG2 4.2Å; F418-F441 AromaticContact CD1-CE1 3.65Å; F418-F441 HydrophobicContact CD1-CE1 3.65Å; F418-F441 AromaticContact CD1-CZ 3.93Å; F418-F441 HydrophobicContact CD1-CZ 3.93Å; F418-F441 AromaticContact CE1-CE1 3.5Å; F418-F441 HydrophobicContact CE1-CE1 3.5Å; F418-F441 VanDerWaalsContact CE1-CE1 3.5Å; F418-F441 AromaticContact CE1-CZ 3.96Å; F418-F441 HydrophobicContact CE1-CZ 3.96Å; F418-L458 HydrophobicContact CE2-CD2 4.25Å; F418-I460 HydrophobicContact CE2-CD1 3.89Å; F418-I460 HydrophobicContact CZ-CD1 3.87Å; F418-A482 HydrophobicContact CE1-CB 4.47Å; F418-A482 HydrophobicContact CZ-CB 4.34Å | ||
| 419 | P | 78.1 | Confident | 76.1 | Confident | 65 Ų | 65 | 70.5 Ų | 70.5 | 42% | 0.422 | 41% | 0.413 | S | S | . | . | trans | -73.4 | 147.8 | -173.5 | 28.7 | -34.4 | 0 | 0 | 0 | 111.9 | I439 | P419-I439 HydrophobicContact CB-CD1 4.31Å; P419-I439 HydrophobicContact CG-CD1 3.89Å; P419-I439 WeakPolarHBondContact O-CD1 3.4Å | ||
| 420 | D | 78.8 | Confident | 75.2 | Confident | 102 Ų | 102 | 73 Ų | 73 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -85.6 | -20.1 | 171 | -63.9 | -54.7 | 0 | 0 | 0 | 112.2 | I439 | D420-I439 PolarHBondContact O-N 3.48Š|
| 421 | Y | 80.8 | Confident | 74.4 | Confident | 127 Ų | 127 | 74.9 Ų | 74.9 | 50% | 0.498 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 152.4 | -174.3 | -60.5 | -92.2 | 0 | 0 | 0 | 112 | W436 V437 P438 | Y421-W436 HydrophobicContact CD1-CB 4.22Å; Y421-W436 HydrophobicContact CG-CB 4.46Å; Y421-V437 CarbonylContact C-O 3.1Å; Y421-V437 WeakPolarHBondContact CA-O 3.29Å; Y421-P438 HydrophobicContact CD1-CB 3.98Å; Y421-P438 HydrophobicContact CE1-CB 3.86Å |
| 422 | V | 83.1 | Confident | 73.5 | Confident | 40 Ų | 40 | 76 Ų | 76 | 24% | 0.242 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137.2 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | V437 I439 I477 V480 | V422-V437 PolarHBondContact N-O 2.87Å; V422-V437 PolarHBondContact O-N 2.94Å; V422-I439 HydrophobicContact CG2-CD1 3.55Å; V422-I439 HydrophobicContact CG2-CG1 3.78Å; V422-I477 HydrophobicContact CG1-CD1 3.85Å; V422-V480 HydrophobicContact CB-CG2 4.35Å; V422-V480 HydrophobicContact CG2-CG2 4.21Å |
| 423 | A | 76.4 | Confident | 72.4 | Confident | 26 Ų | 26 | 79.4 Ų | 79.4 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | trans | -62.4 | 133.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F425 W436 | A423-F425 VanDerWaalsContact C-N 3.25Å; A423-F425 WeakPolarHBondContact CB-O 3.42Å; A423-F425 PolarHBondContact O-N 3.13Å; A423-W436 HydrophobicContact CB-CH2 4.22Å; A423-W436 HydrophobicContact CB-CZ2 4.29Å; A423-W436 HydrophobicContact CB-CZ3 4.33Å | ||
| 424 | P | 73.9 | Confident | 71.5 | Confident | 7 Ų | 7 | 87.5 Ų | 87.5 | 5% | 0.045 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -68.7 | -24.6 | 179 | 29.5 | -38.2 | 0 | 0 | 0 | 113.1 | S428 D435 V437 K476 I477 | P424-S428 WeakPolarHBondContact CD-OG 3.42Å; P424-D435 VanDerWaalsContact CD-O 3.3Å; P424-D435 WeakPolarHBondContact CD-O 3.21Å; P424-D435 WeakPolarHBondContact CG-O 3.16Å; P424-V437 HydrophobicContact CB-CG2 4.08Å; P424-K476 HydrophobicContact CB-CG 4.08Å; P424-K476 WeakPolarHBondContact O-CA 3.49Å; P424-I477 PolarHBondContact O-N 2.71Å |
| 425 | F | 74.8 | Confident | 70.7 | Confident | 44 Ų | 44 | 91 Ų | 91 | 19% | 0.193 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -134.8 | 156.2 | 177.8 | -59.9 | -76.5 | 0 | 0 | 0 | 110.8 | A423 N427 S428 Y467 K476 | A423-F425 VanDerWaalsContact C-N 3.25Å; A423-F425 WeakPolarHBondContact CB-O 3.42Å; A423-F425 PolarHBondContact O-N 3.13Å; F425-N427 PolarHBondContact O-N 2.84Å; F425-N427 VanDerWaalsContact O-N 3.12Å; F425-S428 PolarHBondContact N-OG 3.48Å; F425-S428 PolarHBondContact O-N 3.35Å; F425-S428 PolarHBondContact O-OG 2.9Å; F425-Y467 HydrophobicContact CE1-CD1 4.2Å; F425-Y467 AromaticContact CZ-CD1 3.67Å; F425-Y467 HydrophobicContact CZ-CD1 3.67Å; F425-Y467 HydrophobicContact CZ-CE1 4.19Å; F425-Y467 HydrophobicContact CZ-CG 4.08Å; F425-K476 HydrophobicContact CD1-CB 4.26Å; F425-K476 HydrophobicContact CD1-CG 4.32Å; F425-K476 HydrophobicContact CD2-CG 4.48Å; F425-K476 HydrophobicContact CE1-CB 3.5Å; F425-K476 VanDerWaalsContact CE1-CB 3.5Å; F425-K476 HydrophobicContact CE1-CD 4.2Å; F425-K476 HydrophobicContact CE1-CG 3.67Å; F425-K476 HydrophobicContact CE2-CD 3.82Å; F425-K476 HydrophobicContact CE2-CG 3.85Å; F425-K476 HydrophobicContact CZ-CB 3.7Å; F425-K476 HydrophobicContact CZ-CD 3.46Å; F425-K476 VanDerWaalsContact CZ-CD 3.46Å; F425-K476 HydrophobicContact CZ-CG 3.42Å; F425-K476 VanDerWaalsContact CZ-CG 3.42Å |
| 426 | G | 67.8 | Low | 70.7 | Confident | 97 Ų | 97 | 92.3 Ų | 92.3 | 100% | 1 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -14.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 427 | N | 67.1 | Low | 71 | Confident | 132 Ų | 132 | 83.4 Ų | 83.4 | 71% | 0.706 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 17.5 | 179.7 | 68.5 | -31.9 | 0 | 0 | 0 | 113.2 | F425 | F425-N427 PolarHBondContact O-N 2.84Å; F425-N427 VanDerWaalsContact O-N 3.12Å |
| 428 | S | 68 | Low | 71.6 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 25% | 0.245 | 46% | 0.457 | C | S | . | . | trans | -63.3 | 135.3 | 174.5 | -62.9 | 0 | 0 | 0 | 0 | 110.7 | P424 F425 | P424-S428 WeakPolarHBondContact CD-OG 3.42Å; F425-S428 PolarHBondContact N-OG 3.48Å; F425-S428 PolarHBondContact O-N 3.35Å; F425-S428 PolarHBondContact O-OG 2.9Å | ||
| 429 | Q | 64.1 | Low | 71.9 | Confident | 122 Ų | 122 | 80.4 Ų | 80.4 | 57% | 0.57 | 45% | 0.448 | S | S | * | . | trans | -73.6 | 141 | 176.8 | -63.4 | -67.7 | -13.7 | 0 | 0 | 110.3 | Q431 D432 W436 | Q429-Q431 PolarHBondContact O-N 3.02Å; Q429-D432 PolarHBondContact O-N 3.03Å; Q429-W436 PolarHBondContact O-NE1 3.07Å; Q429-W436 VanDerWaalsContact O-NE1 3.11Å | ||
| 430 | A | 62.8 | Low | 72.4 | Confident | 63 Ų | 63 | 81.6 Ų | 81.6 | 52% | 0.521 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W436 | A430-W436 HydrophobicContact CB-CZ2 4.26Š|
| 431 | Q | 65.6 | Low | 72.7 | Confident | 143 Ų | 143 | 81.4 Ų | 81.4 | 67% | 0.668 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -21.1 | -178.5 | -65.9 | 75 | 19.8 | 0 | 0 | 113.1 | Q429 M433 | Q429-Q431 PolarHBondContact O-N 3.02Å; Q431-M433 VanDerWaalsContact C-N 3.33Å; Q431-M433 PolarHBondContact O-N 3.42Å; Q431-M433 VanDerWaalsContact O-N 3.14Å |
| 432 | D | 63.3 | Low | 72.9 | Confident | 92 Ų | 92 | 79 Ų | 79 | 49% | 0.492 | 44% | 0.437 | S | S | . | . | trans | -91.5 | 59.4 | -175.6 | -67.2 | -36.9 | 0 | 0 | 0 | 111.9 | Q429 L434 D435 W436 | Q429-D432 PolarHBondContact O-N 3.03Å; D432-L434 PolarHBondContact O-N 2.95Å; D432-D435 PolarHBondContact O-N 2.92Å; D432-W436 VanDerWaalsContact O-CD1 3.22Å | ||
| 433 | M | 57.5 | Low | 72.7 | Confident | 150 Ų | 150 | 81.5 Ų | 81.5 | 74% | 0.739 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -55.7 | -23.1 | -172.7 | -68.7 | -172.4 | -78 | 0 | 0 | 115.2 | Q431 D435 W436 | Q431-M433 VanDerWaalsContact C-N 3.33Å; Q431-M433 PolarHBondContact O-N 3.42Å; Q431-M433 VanDerWaalsContact O-N 3.14Å; M433-D435 VanDerWaalsContact C-N 3.26Å; M433-D435 PolarHBondContact O-N 3.32Å; M433-W436 PolarHBondContact O-N 3.31Å |
| 434 | L | 64.1 | Low | 72.6 | Confident | 178 Ų | 178 | 84.3 Ų | 84.3 | 93% | 0.932 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -70.6 | -20.8 | 177.7 | -70.3 | 173 | 0 | 0 | 0 | 113.5 | D432 | D432-L434 PolarHBondContact O-N 2.95Š|
| 435 | D | 64.6 | Low | 72.3 | Confident | 113 Ų | 113 | 86.9 Ų | 86.9 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -90.8 | -8.3 | 179.1 | -78.7 | -5.1 | 0 | 0 | 0 | 112.7 | P424 D432 M433 | P424-D435 VanDerWaalsContact CD-O 3.3Å; P424-D435 WeakPolarHBondContact CD-O 3.21Å; P424-D435 WeakPolarHBondContact CG-O 3.16Å; D432-D435 PolarHBondContact O-N 2.92Å; M433-D435 VanDerWaalsContact C-N 3.26Å; M433-D435 PolarHBondContact O-N 3.32Å |
| 436 | W | 74.3 | Confident | 71.8 | Confident | 70 Ų | 70 | 91.2 Ų | 91.2 | 27% | 0.265 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -76.6 | 142.6 | -178.2 | -74.1 | 58.4 | 0 | 0 | 0 | 111.8 | Y421 A423 Q429 A430 D432 M433 P438 | Y421-W436 HydrophobicContact CD1-CB 4.22Å; Y421-W436 HydrophobicContact CG-CB 4.46Å; A423-W436 HydrophobicContact CB-CH2 4.22Å; A423-W436 HydrophobicContact CB-CZ2 4.29Å; A423-W436 HydrophobicContact CB-CZ3 4.33Å; Q429-W436 PolarHBondContact O-NE1 3.07Å; Q429-W436 VanDerWaalsContact O-NE1 3.11Å; A430-W436 HydrophobicContact CB-CZ2 4.26Å; D432-W436 VanDerWaalsContact O-CD1 3.22Å; M433-W436 PolarHBondContact O-N 3.31Å; W436-P438 WeakPolarHBondContact O-CD 3.5Å |
| 437 | V | 77.7 | Confident | 71.2 | Confident | 15 Ų | 15 | 93.2 Ų | 93.2 | 9% | 0.091 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.8 | -179.1 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | Y421 V422 P424 I477 V480 | Y421-V437 CarbonylContact C-O 3.1Å; Y421-V437 WeakPolarHBondContact CA-O 3.29Å; V422-V437 PolarHBondContact N-O 2.87Å; V422-V437 PolarHBondContact O-N 2.94Å; P424-V437 HydrophobicContact CB-CG2 4.08Å; V437-I477 HydrophobicContact CB-CG2 4.49Å; V437-I477 HydrophobicContact CG1-CG2 4.36Å; V437-I477 HydrophobicContact CG2-CG2 4.32Å; V437-I477 WeakPolarHBondContact CG2-O 3.43Å; V437-V480 HydrophobicContact CG1-CG2 4.39Å |
| 438 | P | 83.5 | Confident | 70.7 | Confident | 55 Ų | 55 | 96.2 Ų | 96.2 | 36% | 0.357 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 142.6 | 177.4 | 28.1 | -33.7 | 0 | 0 | 0 | 111.2 | Y421 W436 H440 | Y421-P438 HydrophobicContact CD1-CB 3.98Å; Y421-P438 HydrophobicContact CE1-CB 3.86Å; W436-P438 WeakPolarHBondContact O-CD 3.5Å; P438-H440 PolarHBondContact O-ND1 3.21Å |
| 439 | I | 84.3 | Confident | 69.7 | Low | 12 Ų | 12 | 103.8 Ų | 103.8 | 6% | 0.062 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.1 | 172 | -62.2 | 166.1 | 0 | 0 | 0 | 108.8 | F418 P419 D420 V422 F441 V480 A482 | F418-I439 HydrophobicContact CE1-CD1 4.04Å; F418-I439 HydrophobicContact CE1-CG2 4.2Å; P419-I439 HydrophobicContact CB-CD1 4.31Å; P419-I439 HydrophobicContact CG-CD1 3.89Å; P419-I439 WeakPolarHBondContact O-CD1 3.4Å; D420-I439 PolarHBondContact O-N 3.48Å; V422-I439 HydrophobicContact CG2-CD1 3.55Å; V422-I439 HydrophobicContact CG2-CG1 3.78Å; I439-F441 HydrophobicContact CB-CE2 4.32Å; I439-F441 HydrophobicContact CB-CZ 4.11Å; I439-F441 HydrophobicContact CG2-CD1 4.4Å; I439-F441 HydrophobicContact CG2-CE1 3.96Å; I439-F441 HydrophobicContact CG2-CE2 4.37Å; I439-F441 HydrophobicContact CG2-CZ 3.94Å; I439-F441 VanDerWaalsContact O-CD2 3.32Å; I439-F441 WeakPolarHBondContact O-CD2 3.3Å; I439-F441 VanDerWaalsContact O-CE2 3.31Å; I439-F441 WeakPolarHBondContact O-CE2 3.4Å; I439-V480 HydrophobicContact CB-CG1 4.5Å; I439-V480 HydrophobicContact CG1-CB 3.98Å; I439-V480 HydrophobicContact CG1-CG1 3.9Å; I439-V480 HydrophobicContact CG2-CG1 4.14Å; I439-A482 HydrophobicContact CG2-CB 3.72Å |
| 440 | H | 87 | Confident | 69.2 | Low | 91 Ų | 91 | 105 Ų | 105 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 113.6 | 178.4 | -65.2 | 83.4 | 0 | 0 | 0 | 110.4 | P438 V480 T481 A482 | P438-H440 PolarHBondContact O-ND1 3.21Å; H440-V480 PolarHBondContact N-O 2.91Å; H440-V480 PolarHBondContact ND1-O 3.31Å; H440-T481 HydrophobicContact CB-CG2 3.97Å; H440-T481 CarbonylContact O-C 3.54Å; H440-T481 WeakPolarHBondContact O-CA 3.45Å; H440-A482 PolarHBondContact O-N 2.86Å |
| 441 | F | 85.7 | Confident | 69.3 | Low | 97 Ų | 97 | 103.6 Ų | 103.6 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 120.3 | -179.5 | -59.4 | -79.6 | 0 | 0 | 0 | 111.2 | W414 F418 I439 A482 | W414-F441 HydrophobicContact CE3-CE1 4.26Å; W414-F441 AromaticContact CH2-CD1 3.43Å; W414-F441 HydrophobicContact CH2-CD1 3.43Å; W414-F441 VanDerWaalsContact CH2-CD1 3.43Å; W414-F441 AromaticContact CH2-CE1 3.81Å; W414-F441 HydrophobicContact CH2-CE1 3.81Å; W414-F441 HydrophobicContact CZ2-CD1 4.23Å; W414-F441 AromaticContact CZ3-CD1 3.67Å; W414-F441 HydrophobicContact CZ3-CD1 3.67Å; W414-F441 AromaticContact CZ3-CE1 3.51Å; W414-F441 HydrophobicContact CZ3-CE1 3.51Å; F418-F441 AromaticContact CD1-CE1 3.65Å; F418-F441 HydrophobicContact CD1-CE1 3.65Å; F418-F441 AromaticContact CD1-CZ 3.93Å; F418-F441 HydrophobicContact CD1-CZ 3.93Å; F418-F441 AromaticContact CE1-CE1 3.5Å; F418-F441 HydrophobicContact CE1-CE1 3.5Å; F418-F441 VanDerWaalsContact CE1-CE1 3.5Å; F418-F441 AromaticContact CE1-CZ 3.96Å; F418-F441 HydrophobicContact CE1-CZ 3.96Å; I439-F441 HydrophobicContact CB-CE2 4.32Å; I439-F441 HydrophobicContact CB-CZ 4.11Å; I439-F441 HydrophobicContact CG2-CD1 4.4Å; I439-F441 HydrophobicContact CG2-CE1 3.96Å; I439-F441 HydrophobicContact CG2-CE2 4.37Å; I439-F441 HydrophobicContact CG2-CZ 3.94Å; I439-F441 VanDerWaalsContact O-CD2 3.32Å; I439-F441 WeakPolarHBondContact O-CD2 3.3Å; I439-F441 VanDerWaalsContact O-CE2 3.31Å; I439-F441 WeakPolarHBondContact O-CE2 3.4Å; F441-A482 WeakPolarHBondContact CA-O 3.35Å; F441-A482 HydrophobicContact CD1-CB 4.12Å; F441-A482 HydrophobicContact CE1-CB 4.36Å |
| 442 | I | 84.9 | Confident | 69.7 | Low | 76 Ų | 76 | 97.7 Ų | 97.7 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.3 | 177.2 | -56.2 | 175.8 | 0 | 0 | 0 | 108 | Q444 A482 N483 L484 | I442-Q444 HydrophobicContact CG2-CG 4.23Å; I442-A482 PolarHBondContact N-O 3.26Å; I442-N483 HydrophobicContact CB-CB 4.44Å; I442-N483 CarbonylContact O-C 3.49Å; I442-N483 WeakPolarHBondContact O-CA 3.48Å; I442-N483 PolarHBondContact O-OD1 3.1Å; I442-L484 PolarHBondContact O-N 2.9Å |
| 443 | T | 78.8 | Confident | 70.4 | Confident | 94 Ų | 94 | 96.5 Ų | 96.5 | 58% | 0.577 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.3 | 172.6 | -53.5 | 0 | 0 | 0 | 0 | 108.9 | ||
| 444 | Q | 74.8 | Confident | 71.6 | Confident | 84 Ų | 84 | 89.8 Ų | 89.8 | 39% | 0.393 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120.2 | 176.4 | -72.8 | 177.5 | -8.3 | 0 | 0 | 109.6 | I442 N483 L484 S486 | I442-Q444 HydrophobicContact CG2-CG 4.23Å; Q444-N483 WeakPolarHBondContact CG-OD1 3.48Å; Q444-N483 PolarHBondContact NE2-ND2 3.35Å; Q444-N483 PolarHBondContact OE1-ND2 2.98Å; Q444-L484 PolarHBondContact N-O 3.36Å; Q444-S486 PolarHBondContact O-N 3.2Å |
| 445 | S | 67.8 | Low | 72.5 | Confident | 61 Ų | 61 | 81.7 Ų | 81.7 | 43% | 0.427 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132 | 176.1 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 446 | F | 63.3 | Low | 73.4 | Confident | 135 Ų | 135 | 76.8 Ų | 76.8 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | trans | -96.4 | 103.8 | 173.5 | -65 | -81 | 0 | 0 | 0 | 108.9 | R448 | F446-R448 PolarHBondContact O-N 2.96Š| ||
| 447 | N | 56.6 | Low | 74 | Confident | 140 Ų | 140 | 74.1 Ų | 74.1 | 75% | 0.749 | 37% | 0.373 | S | S | * | . | trans | -78.6 | 118.9 | -170.1 | -122.5 | -24.6 | 0 | 0 | 0 | 111.9 | Q453 | N447-Q453 PolarHBondContact OD1-NE2 2.76Š| ||
| 448 | R | 55.2 | Low | 74.6 | Confident | 194 Ų | 194 | 73.4 Ų | 73.4 | 73% | 0.732 | 37% | 0.369 | S | S | * | . | trans | -127.1 | 124.5 | 164.9 | -152.9 | 179.5 | -163.8 | -174.4 | 3.5 | 107.4 | F446 D450 S451 | F446-R448 PolarHBondContact O-N 2.96Å; R448-D450 PolarHBondContact O-N 2.76Å; R448-S451 PolarHBondContact O-OG 2.83Å | ||
| 449 | K | 48.2 | Very low | 74.9 | Confident | 195 Ų | 195 | 73 Ų | 73 | 85% | 0.848 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 134.9 | 174.2 | -85.1 | -178.1 | 172.4 | -178.3 | 0 | 108.8 | ||
| 450 | D | 54.2 | Low | 75.1 | Confident | 148 Ų | 148 | 73.5 Ų | 73.5 | 79% | 0.791 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 42.5 | 177.3 | -45.4 | -35.9 | 0 | 0 | 0 | 116 | R448 | R448-D450 PolarHBondContact O-N 2.76Š|
| 451 | S | 64.5 | Low | 75.3 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143 | 175.3 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | R448 Q453 S488 | R448-S451 PolarHBondContact O-OG 2.83Å; S451-Q453 PolarHBondContact O-N 3.37Å; S451-S488 WeakPolarHBondContact OG-CB 3.47Å |
| 452 | C | 74.4 | Confident | 75.5 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 14% | 0.135 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 120.3 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 109.9 | C402 F489 | C402-C452 HydrophobicContact CB-CB 3.76Å; C402-C452 WeakPolarHBondContact CB-SG 3.43Å; C402-C452 WeakPolarHBondContact SG-CA 3.4Å; C402-C452 WeakPolarHBondContact SG-CB 3.43Å; C402-C452 CovalentContact SG-SG 2.01Å; C402-C452 PolarHBondContact SG-SG 2.86Å; C452-F489 HydrophobicContact CB-CB 4.35Å; C452-F489 PolarHBondContact N-O 3.47Å; C452-F489 PolarHBondContact O-N 3.28Å |
| 453 | Q | 78.2 | Confident | 75.5 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.3 | 175.9 | -69.5 | -170.9 | 0.5 | 0 | 0 | 110.5 | N447 S451 | N447-Q453 PolarHBondContact OD1-NE2 2.76Å; S451-Q453 PolarHBondContact O-N 3.37Å |
| 454 | L | 81.3 | Confident | 76 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.9 | 174.3 | -57 | 173.6 | 0 | 0 | 0 | 110.1 | V405 A406 G456 S486 S487 F489 I500 | V405-L454 HydrophobicContact CB-CD2 4.07Å; V405-L454 HydrophobicContact CG1-CD1 4.3Å; V405-L454 HydrophobicContact CG1-CD2 3.89Å; A406-L454 HydrophobicContact CB-CD2 3.86Å; L454-G456 PolarHBondContact O-N 3.19Å; L454-S486 WeakPolarHBondContact O-CA 3.18Å; L454-S487 PolarHBondContact N-O 3.48Å; L454-S487 PolarHBondContact O-N 3.09Å; L454-F489 HydrophobicContact CB-CD2 3.68Å; L454-F489 HydrophobicContact CB-CE2 3.61Å; L454-F489 HydrophobicContact CD1-CB 4.49Å; L454-F489 HydrophobicContact CD1-CD2 3.73Å; L454-F489 HydrophobicContact CD1-CE2 4.08Å; L454-F489 HydrophobicContact CD1-CG 3.99Å; L454-F489 HydrophobicContact CG-CD2 3.79Å; L454-F489 HydrophobicContact CG-CE2 4.19Å; L454-F489 HydrophobicContact CG-CG 4.45Å; L454-I500 HydrophobicContact CD1-CD1 3.39Å |
| 455 | P | 82.6 | Confident | 76.5 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 108.9 | 175.7 | 27.7 | -29.3 | 0 | 0 | 0 | 109.1 | V409 K410 L413 L484 | V409-P455 HydrophobicContact CB-CG 4.17Å; V409-P455 HydrophobicContact CG1-CG 4.03Å; V409-P455 WeakPolarHBondContact CG1-O 3.36Å; K410-P455 HydrophobicContact CB-CG 4.04Å; L413-P455 HydrophobicContact CD1-CB 3.96Å; L413-P455 HydrophobicContact CD1-CG 4.5Å; L413-P455 WeakPolarHBondContact CD1-O 3.3Å; P455-L484 HydrophobicContact CB-CD1 3.78Å; P455-L484 HydrophobicContact CB-CD2 4.02Å; P455-L484 HydrophobicContact CB-CG 3.9Å |
| 456 | G | 84.1 | Confident | 77 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -23.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L454 I485 I502 S503 | L454-G456 PolarHBondContact O-N 3.19Å; G456-I485 PolarHBondContact N-O 3.14Å; G456-I502 CarbonylContact O-C 3.52Å; G456-I502 VanDerWaalsContact O-CA 3.28Å; G456-I502 WeakPolarHBondContact O-CA 2.96Å; G456-S503 PolarHBondContact O-N 3.23Å |
| 457 | A | 87.5 | Confident | 77.7 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 12% | 0.116 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 146.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | I485 S503 | A457-I485 HydrophobicContact CB-CB 4.32Å; A457-I485 PolarHBondContact N-O 3.48Å; A457-I485 PolarHBondContact O-N 3.15Å; A457-S503 CarbonylContact C-O 3.6Å; A457-S503 WeakPolarHBondContact CA-O 3.36Å; A457-S503 WeakPolarHBondContact CB-O 3.45Å; A457-S503 WeakPolarHBondContact CB-OG 3.49Å |
| 458 | L | 88.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.4 | 167.6 | 177.2 | 63.3 | 0 | 0 | 0 | 109.1 | L413 W414 F418 I460 A482 S503 T504 A505 | L413-L458 HydrophobicContact CB-CB 4.17Å; L413-L458 HydrophobicContact CD2-CB 3.91Å; L413-L458 HydrophobicContact CG-CB 4.49Å; L413-L458 WeakPolarHBondContact O-CD2 3.47Å; W414-L458 HydrophobicContact CD2-CD2 4.25Å; W414-L458 HydrophobicContact CE3-CD1 4.18Å; W414-L458 HydrophobicContact CE3-CD2 3.82Å; W414-L458 HydrophobicContact CH2-CD1 3.35Å; W414-L458 HydrophobicContact CH2-CD2 4.49Å; W414-L458 HydrophobicContact CZ2-CD1 3.75Å; W414-L458 HydrophobicContact CZ3-CD1 3.6Å; W414-L458 HydrophobicContact CZ3-CD2 3.95Å; W414-L458 HydrophobicContact CZ3-CG 4.45Å; F418-L458 HydrophobicContact CE2-CD2 4.25Å; L458-I460 HydrophobicContact CD2-CD1 4.23Å; L458-I460 HydrophobicContact CD2-CG1 4.41Å; L458-I460 HydrophobicContact CG-CD1 4.47Å; L458-I460 HydrophobicContact CG-CG1 4.14Å; L458-A482 HydrophobicContact CD1-CB 4.32Å; L458-S503 PolarHBondContact N-O 3.11Å; L458-T504 HydrophobicContact CB-CG2 4.27Å; L458-T504 HydrophobicContact CD2-CG2 4.28Å; L458-T504 HydrophobicContact CG-CG2 4.38Å; L458-T504 CarbonylContact O-C 3.57Å; L458-T504 VanDerWaalsContact O-CA 3.28Å; L458-T504 WeakPolarHBondContact O-CA 3.29Å; L458-A505 PolarHBondContact O-N 2.93Å |
| 459 | V | 90.5 | Very high | 79 | Confident | 45 Ų | 45 | 56.4 Ų | 56.4 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.6 | 179.6 | -177.7 | 0 | 0 | 0 | 0 | 109 | N483 I485 A505 | V459-N483 PolarHBondContact N-O 3.07Å; V459-N483 PolarHBondContact O-N 3.09Å; V459-I485 HydrophobicContact CG2-CD1 3.72Å; V459-A505 CarbonylContact C-O 3.56Å; V459-A505 WeakPolarHBondContact CA-O 3.44Å |
| 460 | I | 89.4 | Confident | 80 | Confident | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.2 | 179.6 | -54.5 | 173.6 | 0 | 0 | 0 | 108.5 | F418 L458 V462 V480 T481 A482 A505 V506 T507 | F418-I460 HydrophobicContact CE2-CD1 3.89Å; F418-I460 HydrophobicContact CZ-CD1 3.87Å; L458-I460 HydrophobicContact CD2-CD1 4.23Å; L458-I460 HydrophobicContact CD2-CG1 4.41Å; L458-I460 HydrophobicContact CG-CD1 4.47Å; L458-I460 HydrophobicContact CG-CG1 4.14Å; I460-V462 HydrophobicContact CG2-CG2 4.17Å; I460-V480 HydrophobicContact CG2-CG1 3.84Å; I460-T481 CarbonylContact C-O 3.49Å; I460-T481 VanDerWaalsContact CA-O 3.29Å; I460-T481 WeakPolarHBondContact CA-O 3.33Å; I460-A482 HydrophobicContact CG1-CB 4.31Å; I460-A505 PolarHBondContact N-O 2.85Å; I460-V506 HydrophobicContact CB-CG1 4.28Å; I460-V506 HydrophobicContact CB-CG2 4.19Å; I460-V506 HydrophobicContact CD1-CG2 4.25Å; I460-V506 HydrophobicContact CG2-CG1 4.37Å; I460-V506 CarbonylContact O-C 3.55Å; I460-V506 VanDerWaalsContact O-CA 3.27Å; I460-V506 WeakPolarHBondContact O-CA 3.42Å; I460-T507 PolarHBondContact O-N 3.17Å |
| 461 | E | 91.3 | Very high | 80.6 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.6 | 174.6 | 177.8 | -178 | 93.8 | 0 | 0 | 109.6 | K463 V480 T481 V509 | E461-K463 WeakPolarHBondContact OE1-CE 3.34Å; E461-K463 IonicContact OE1-NZ 3.06Å; E461-K463 PolarHBondContact OE1-NZ 2.79Å; E461-V480 WeakPolarHBondContact O-CA 3.34Å; E461-T481 WeakPolarHBondContact CB-OG1 3.44Å; E461-T481 PolarHBondContact N-O 2.98Å; E461-T481 PolarHBondContact O-N 2.74Å; E461-T481 PolarHBondContact O-OG1 2.8Å; E461-V509 HydrophobicContact CG-CG2 4Å |
| 462 | V | 90 | Very high | 80.9 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111.8 | 178.4 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | I460 I477 V480 V506 T507 F508 V509 | I460-V462 HydrophobicContact CG2-CG2 4.17Å; V462-I477 HydrophobicContact CG1-CD1 4.06Å; V462-I477 HydrophobicContact CG1-CG1 4.05Å; V462-I477 HydrophobicContact CG1-CG2 3.95Å; V462-V480 HydrophobicContact CG1-CG2 4.3Å; V462-V480 HydrophobicContact CG2-CG1 4.2Å; V462-V480 HydrophobicContact CG2-CG2 4.39Å; V462-V506 HydrophobicContact CG2-CG1 4.23Å; V462-T507 PolarHBondContact N-O 2.9Å; V462-F508 HydrophobicContact CB-CD1 3.77Å; V462-F508 HydrophobicContact CB-CE1 3.93Å; V462-F508 HydrophobicContact CB-CG 4.41Å; V462-F508 HydrophobicContact CG1-CD1 3.77Å; V462-F508 HydrophobicContact CG1-CE1 3.83Å; V462-F508 HydrophobicContact CG2-CD1 4.41Å; V462-F508 HydrophobicContact CG2-CE1 4.12Å; V462-F508 HydrophobicContact CG2-CZ 4.5Å; V462-F508 CarbonylContact O-C 3.5Å; V462-F508 WeakPolarHBondContact O-CA 3.46Å; V462-V509 PolarHBondContact O-N 2.9Å |
| 463 | K | 84.7 | Confident | 80.9 | Confident | 70 Ų | 70 | 60.7 Ų | 60.7 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.9 | 173.4 | -62.5 | -177.5 | -179.7 | 172.9 | 0 | 109.7 | E461 V478 N479 V509 V511 | E461-K463 WeakPolarHBondContact OE1-CE 3.34Å; E461-K463 IonicContact OE1-NZ 3.06Å; E461-K463 PolarHBondContact OE1-NZ 2.79Å; K463-V478 HydrophobicContact CB-CG2 4Å; K463-V478 VanDerWaalsContact O-CG2 3.31Å; K463-V478 WeakPolarHBondContact O-CG2 3.24Å; K463-V478 PolarHBondContact O-N 2.99Å; K463-N479 HydrophobicContact CB-CB 4.11Å; K463-N479 HydrophobicContact CD-CB 4.39Å; K463-N479 PolarHBondContact N-O 2.78Å; K463-N479 PolarHBondContact O-N 2.79Å; K463-V509 WeakPolarHBondContact CA-O 3.28Å; K463-V509 HydrophobicContact CG-CB 4.38Å; K463-V511 HydrophobicContact CB-CG1 4.18Å; K463-V511 HydrophobicContact CB-CG2 4.16Å; K463-V511 HydrophobicContact CD-CG1 4.15Å; K463-V511 HydrophobicContact CG-CG1 4.24Å |
| 464 | W | 89.1 | Confident | 80.7 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 156.8 | -179.8 | 70 | -85.4 | 0 | 0 | 0 | 111.2 | K466 A475 K476 V509 D510 V511 | W464-K466 HydrophobicContact CH2-CG 4.47Å; W464-K466 HydrophobicContact CZ3-CG 3.83Å; W464-A475 HydrophobicContact CD2-CB 4.39Å; W464-A475 HydrophobicContact CE3-CB 3.63Å; W464-A475 HydrophobicContact CZ3-CB 3.95Å; W464-K476 CarbonylContact C-O 3.59Å; W464-K476 WeakPolarHBondContact CA-O 3.49Å; W464-K476 WeakPolarHBondContact CB-O 3.49Å; W464-V509 VanDerWaalsContact CD1-O 3.31Å; W464-V509 PolarHBondContact N-O 3.07Å; W464-D510 HydrophobicContact CH2-CB 4.28Å; W464-D510 HydrophobicContact CZ2-CB 3.67Å; W464-V511 VanDerWaalsContact O-CG2 3.27Å; W464-V511 WeakPolarHBondContact O-CG2 3.36Å; W464-V511 PolarHBondContact O-N 3.16Å |
| 465 | T | 83.9 | Confident | 80.7 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 153.8 | -179.5 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | Y467 K476 V478 S512 | T465-Y467 PolarHBondContact O-N 2.81Å; T465-K476 HydrophobicContact CG2-CB 4.25Å; T465-K476 PolarHBondContact N-O 2.81Å; T465-K476 PolarHBondContact O-N 2.98Å; T465-V478 HydrophobicContact CG2-CG1 3.5Å; T465-S512 WeakPolarHBondContact OG1-CA 3.39Å |
| 466 | K | 79 | Confident | 80.7 | Confident | 116 Ų | 116 | 68 Ų | 68 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 116.9 | 171.1 | -72.5 | 176.3 | -172.6 | 172.6 | 0 | 109.9 | W464 P473 Q474 S512 | W464-K466 HydrophobicContact CH2-CG 4.47Å; W464-K466 HydrophobicContact CZ3-CG 3.83Å; K466-P473 HydrophobicContact CB-CB 3.9Å; K466-P473 HydrophobicContact CD-CB 4.26Å; K466-P473 HydrophobicContact CD-CG 4.35Å; K466-P473 HydrophobicContact CG-CB 4.14Å; K466-Q474 CarbonylContact C-O 3.54Å; K466-Q474 WeakPolarHBondContact CA-O 3.25Å; K466-S512 WeakPolarHBondContact CG-OG 3.47Å; K466-S512 PolarHBondContact N-OG 3.08Å |
| 467 | Y | 77.6 | Confident | 80.7 | Confident | 133 Ų | 133 | 69.2 Ų | 69.2 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 134.4 | 179.3 | -177.1 | -92.3 | 0 | 0 | 0 | 110.2 | F425 T465 Q474 K476 | F425-Y467 HydrophobicContact CE1-CD1 4.2Å; F425-Y467 AromaticContact CZ-CD1 3.67Å; F425-Y467 HydrophobicContact CZ-CD1 3.67Å; F425-Y467 HydrophobicContact CZ-CE1 4.19Å; F425-Y467 HydrophobicContact CZ-CG 4.08Å; T465-Y467 PolarHBondContact O-N 2.81Å; Y467-Q474 PolarHBondContact N-O 3.18Å; Y467-Q474 PolarHBondContact O-N 2.78Å; Y467-K476 HydrophobicContact CD2-CD 4.28Å; Y467-K476 HydrophobicContact CG-CD 4.3Å |
| 468 | G | 72.7 | Confident | 80.6 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 64% | 0.639 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 120.4 | -152.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 469 | S | 67.9 | Low | 80.7 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 47% | 0.469 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 153.8 | -177.3 | 76.5 | 0 | 0 | 0 | 0 | 111.5 | L471 N472 P473 | S469-L471 PolarHBondContact O-N 3.45Å; S469-N472 CarbonylContact O-C 3.41Å; S469-N472 VanDerWaalsContact O-C 3.24Å; S469-N472 PolarHBondContact O-N 3.43Å; S469-N472 PolarHBondContact OG-N 3.39Å; S469-P473 WeakPolarHBondContact O-CD 3.4Å; S469-P473 VanDerWaalsContact O-N 3.1Å |
| 470 | L | 67.3 | Low | 80.5 | Confident | 143 Ų | 143 | 72 Ų | 72 | 75% | 0.749 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -32.8 | 174.6 | -176.7 | 61.3 | 0 | 0 | 0 | 112.4 | A515 | L470-A515 HydrophobicContact CD1-CB 3.57Š|
| 471 | L | 68.4 | Low | 80.6 | Confident | 172 Ų | 172 | 72.2 Ų | 72.2 | 90% | 0.901 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -22.8 | -179.4 | -64.7 | 174.7 | 0 | 0 | 0 | 113.2 | S469 | S469-L471 PolarHBondContact O-N 3.45Š|
| 472 | N | 70 | Confident | 80.5 | Confident | 109 Ų | 109 | 69.2 Ų | 69.2 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 71.2 | -179.7 | -170.3 | 20.9 | 0 | 0 | 0 | 111.2 | S469 | S469-N472 CarbonylContact O-C 3.41Å; S469-N472 VanDerWaalsContact O-C 3.24Å; S469-N472 PolarHBondContact O-N 3.43Å; S469-N472 PolarHBondContact OG-N 3.39Å |
| 473 | P | 74.7 | Confident | 80.4 | Confident | 60 Ų | 60 | 69.8 Ų | 69.8 | 39% | 0.39 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 138.2 | 178.3 | 29.3 | -33.1 | 0 | 0 | 0 | 110.9 | K466 S469 | K466-P473 HydrophobicContact CB-CB 3.9Å; K466-P473 HydrophobicContact CD-CB 4.26Å; K466-P473 HydrophobicContact CD-CG 4.35Å; K466-P473 HydrophobicContact CG-CB 4.14Å; S469-P473 WeakPolarHBondContact O-CD 3.4Å; S469-P473 VanDerWaalsContact O-N 3.1Å |
| 474 | Q | 73.9 | Confident | 80.6 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 51% | 0.505 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 145.3 | 175.2 | -61.5 | -174.6 | -2.1 | 0 | 0 | 110.4 | K466 Y467 K476 | K466-Q474 CarbonylContact C-O 3.54Å; K466-Q474 WeakPolarHBondContact CA-O 3.25Å; Y467-Q474 PolarHBondContact N-O 3.18Å; Y467-Q474 PolarHBondContact O-N 2.78Å; Q474-K476 PolarHBondContact O-N 3.33Å |
| 475 | A | 81.3 | Confident | 80.4 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 126.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | W464 | W464-A475 HydrophobicContact CD2-CB 4.39Å; W464-A475 HydrophobicContact CE3-CB 3.63Å; W464-A475 HydrophobicContact CZ3-CB 3.95Å |
| 476 | K | 82.8 | Confident | 80.4 | Confident | 64 Ų | 64 | 65.3 Ų | 65.3 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.7 | 174.2 | -173.6 | -175.8 | -175.9 | 176.7 | 0 | 109.6 | P424 F425 W464 T465 Y467 Q474 | P424-K476 HydrophobicContact CB-CG 4.08Å; P424-K476 WeakPolarHBondContact O-CA 3.49Å; F425-K476 HydrophobicContact CD1-CB 4.26Å; F425-K476 HydrophobicContact CD1-CG 4.32Å; F425-K476 HydrophobicContact CD2-CG 4.48Å; F425-K476 HydrophobicContact CE1-CB 3.5Å; F425-K476 VanDerWaalsContact CE1-CB 3.5Å; F425-K476 HydrophobicContact CE1-CD 4.2Å; F425-K476 HydrophobicContact CE1-CG 3.67Å; F425-K476 HydrophobicContact CE2-CD 3.82Å; F425-K476 HydrophobicContact CE2-CG 3.85Å; F425-K476 HydrophobicContact CZ-CB 3.7Å; F425-K476 HydrophobicContact CZ-CD 3.46Å; F425-K476 VanDerWaalsContact CZ-CD 3.46Å; F425-K476 HydrophobicContact CZ-CG 3.42Å; F425-K476 VanDerWaalsContact CZ-CG 3.42Å; W464-K476 CarbonylContact C-O 3.59Å; W464-K476 WeakPolarHBondContact CA-O 3.49Å; W464-K476 WeakPolarHBondContact CB-O 3.49Å; T465-K476 HydrophobicContact CG2-CB 4.25Å; T465-K476 PolarHBondContact N-O 2.81Å; T465-K476 PolarHBondContact O-N 2.98Å; Y467-K476 HydrophobicContact CD2-CD 4.28Å; Y467-K476 HydrophobicContact CG-CD 4.3Å; Q474-K476 PolarHBondContact O-N 3.33Å |
| 477 | I | 83.3 | Confident | 80.3 | Confident | 36 Ų | 36 | 62 Ų | 62 | 19% | 0.185 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 134.5 | 171.6 | -60.5 | 174.7 | 0 | 0 | 0 | 108.8 | V422 P424 V437 V462 V480 | V422-I477 HydrophobicContact CG1-CD1 3.85Å; P424-I477 PolarHBondContact O-N 2.71Å; V437-I477 HydrophobicContact CB-CG2 4.49Å; V437-I477 HydrophobicContact CG1-CG2 4.36Å; V437-I477 HydrophobicContact CG2-CG2 4.32Å; V437-I477 WeakPolarHBondContact CG2-O 3.43Å; V462-I477 HydrophobicContact CG1-CD1 4.06Å; V462-I477 HydrophobicContact CG1-CG1 4.05Å; V462-I477 HydrophobicContact CG1-CG2 3.95Å; I477-V480 HydrophobicContact CG2-CG2 3.74Å |
| 478 | V | 86.9 | Confident | 80.1 | Confident | 64 Ų | 64 | 58 Ų | 58 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -26 | -178.9 | -67 | 0 | 0 | 0 | 0 | 113.4 | K463 T465 V511 | K463-V478 HydrophobicContact CB-CG2 4Å; K463-V478 VanDerWaalsContact O-CG2 3.31Å; K463-V478 WeakPolarHBondContact O-CG2 3.24Å; K463-V478 PolarHBondContact O-N 2.99Å; T465-V478 HydrophobicContact CG2-CG1 3.5Å; V478-V511 HydrophobicContact CG2-CG2 3.69Å |
| 479 | N | 89.9 | Confident | 79.8 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 140 | 177.8 | -164.9 | -55.5 | 0 | 0 | 0 | 110 | K463 | K463-N479 HydrophobicContact CB-CB 4.11Å; K463-N479 HydrophobicContact CD-CB 4.39Å; K463-N479 PolarHBondContact N-O 2.78Å; K463-N479 PolarHBondContact O-N 2.79Å |
| 480 | V | 86.5 | Confident | 79.5 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.4 | 169.5 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | V422 V437 I439 H440 I460 E461 V462 I477 | V422-V480 HydrophobicContact CB-CG2 4.35Å; V422-V480 HydrophobicContact CG2-CG2 4.21Å; V437-V480 HydrophobicContact CG1-CG2 4.39Å; I439-V480 HydrophobicContact CB-CG1 4.5Å; I439-V480 HydrophobicContact CG1-CB 3.98Å; I439-V480 HydrophobicContact CG1-CG1 3.9Å; I439-V480 HydrophobicContact CG2-CG1 4.14Å; H440-V480 PolarHBondContact N-O 2.91Å; H440-V480 PolarHBondContact ND1-O 3.31Å; I460-V480 HydrophobicContact CG2-CG1 3.84Å; E461-V480 WeakPolarHBondContact O-CA 3.34Å; V462-V480 HydrophobicContact CG1-CG2 4.3Å; V462-V480 HydrophobicContact CG2-CG1 4.2Å; V462-V480 HydrophobicContact CG2-CG2 4.39Å; I477-V480 HydrophobicContact CG2-CG2 3.74Å |
| 481 | T | 90.8 | Very high | 79 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.7 | 172.4 | 50 | 0 | 0 | 0 | 0 | 109.2 | H440 I460 E461 | H440-T481 HydrophobicContact CB-CG2 3.97Å; H440-T481 CarbonylContact O-C 3.54Å; H440-T481 WeakPolarHBondContact O-CA 3.45Å; I460-T481 CarbonylContact C-O 3.49Å; I460-T481 VanDerWaalsContact CA-O 3.29Å; I460-T481 WeakPolarHBondContact CA-O 3.33Å; E461-T481 WeakPolarHBondContact CB-OG1 3.44Å; E461-T481 PolarHBondContact N-O 2.98Å; E461-T481 PolarHBondContact O-N 2.74Å; E461-T481 PolarHBondContact O-OG1 2.8Å |
| 482 | A | 89.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 109.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | W414 F418 I439 H440 F441 I442 L458 I460 | W414-A482 HydrophobicContact CH2-CB 3.74Å; W414-A482 HydrophobicContact CZ3-CB 3.77Å; F418-A482 HydrophobicContact CE1-CB 4.47Å; F418-A482 HydrophobicContact CZ-CB 4.34Å; I439-A482 HydrophobicContact CG2-CB 3.72Å; H440-A482 PolarHBondContact O-N 2.86Å; F441-A482 WeakPolarHBondContact CA-O 3.35Å; F441-A482 HydrophobicContact CD1-CB 4.12Å; F441-A482 HydrophobicContact CE1-CB 4.36Å; I442-A482 PolarHBondContact N-O 3.26Å; L458-A482 HydrophobicContact CD1-CB 4.32Å; I460-A482 HydrophobicContact CG1-CB 4.31Å |
| 483 | N | 89.4 | Confident | 77.4 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.1 | -174 | -172.5 | 22.4 | 0 | 0 | 0 | 110.8 | I442 Q444 V459 | I442-N483 HydrophobicContact CB-CB 4.44Å; I442-N483 CarbonylContact O-C 3.49Å; I442-N483 WeakPolarHBondContact O-CA 3.48Å; I442-N483 PolarHBondContact O-OD1 3.1Å; Q444-N483 WeakPolarHBondContact CG-OD1 3.48Å; Q444-N483 PolarHBondContact NE2-ND2 3.35Å; Q444-N483 PolarHBondContact OE1-ND2 2.98Å; V459-N483 PolarHBondContact N-O 3.07Å; V459-N483 PolarHBondContact O-N 3.09Å |
| 484 | L | 87.8 | Confident | 76.3 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 112.8 | 175.4 | -170.5 | 65.7 | 0 | 0 | 0 | 109.7 | K410 L413 W414 I442 Q444 P455 | K410-L484 HydrophobicContact CD-CD2 4.27Å; K410-L484 HydrophobicContact CG-CD2 4.22Å; L413-L484 HydrophobicContact CB-CD1 4.43Å; L413-L484 HydrophobicContact CD1-CD1 3.64Å; W414-L484 HydrophobicContact CZ2-CB 4.09Å; W414-L484 HydrophobicContact CZ2-CD1 4.5Å; W414-L484 HydrophobicContact CZ2-CD2 4.42Å; I442-L484 PolarHBondContact O-N 2.9Å; Q444-L484 PolarHBondContact N-O 3.36Å; P455-L484 HydrophobicContact CB-CD1 3.78Å; P455-L484 HydrophobicContact CB-CD2 4.02Å; P455-L484 HydrophobicContact CB-CG 3.9Å |
| 485 | I | 85.5 | Confident | 75.2 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.3 | -177.5 | -54.9 | 175.4 | 0 | 0 | 0 | 108.7 | G456 A457 V459 | G456-I485 PolarHBondContact N-O 3.14Å; A457-I485 HydrophobicContact CB-CB 4.32Å; A457-I485 PolarHBondContact N-O 3.48Å; A457-I485 PolarHBondContact O-N 3.15Å; V459-I485 HydrophobicContact CG2-CD1 3.72Å |
| 486 | S | 84.5 | Confident | 73.9 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 8% | 0.077 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.4 | 178.3 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | Q444 L454 | Q444-S486 PolarHBondContact O-N 3.2Å; L454-S486 WeakPolarHBondContact O-CA 3.18Å |
| 487 | S | 75.9 | Confident | 72.7 | Confident | 48 Ų | 48 | 67.4 Ų | 67.4 | 34% | 0.336 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.3 | 176.4 | 30.3 | 0 | 0 | 0 | 0 | 110.6 | L454 F489 | L454-S487 PolarHBondContact N-O 3.48Å; L454-S487 PolarHBondContact O-N 3.09Å; S487-F489 WeakPolarHBondContact O-CD2 3.49Å; S487-F489 WeakPolarHBondContact OG-CE2 3.04Å |
| 488 | S | 73.3 | Confident | 71.7 | Confident | 47 Ų | 47 | 72.9 Ų | 72.9 | 33% | 0.329 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 127.7 | 174.2 | 42.9 | 0 | 0 | 0 | 0 | 110.2 | S451 | S451-S488 WeakPolarHBondContact OG-CB 3.47Å |
| 489 | F | 67.6 | Low | 70.8 | Confident | 50 Ų | 50 | 76.8 Ų | 76.8 | 22% | 0.219 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.1 | 174.8 | -70.1 | -94.8 | 0 | 0 | 0 | 108.6 | C452 L454 S487 E491 I500 | C452-F489 HydrophobicContact CB-CB 4.35Å; C452-F489 PolarHBondContact N-O 3.47Å; C452-F489 PolarHBondContact O-N 3.28Å; L454-F489 HydrophobicContact CB-CD2 3.68Å; L454-F489 HydrophobicContact CB-CE2 3.61Å; L454-F489 HydrophobicContact CD1-CB 4.49Å; L454-F489 HydrophobicContact CD1-CD2 3.73Å; L454-F489 HydrophobicContact CD1-CE2 4.08Å; L454-F489 HydrophobicContact CD1-CG 3.99Å; L454-F489 HydrophobicContact CG-CD2 3.79Å; L454-F489 HydrophobicContact CG-CE2 4.19Å; L454-F489 HydrophobicContact CG-CG 4.45Å; S487-F489 WeakPolarHBondContact O-CD2 3.49Å; S487-F489 WeakPolarHBondContact OG-CE2 3.04Å; F489-E491 PolarHBondContact O-N 3.26Å; F489-I500 HydrophobicContact CE1-CD1 4.28Å; F489-I500 HydrophobicContact CE1-CG1 3.98Å; F489-I500 HydrophobicContact CE1-CG2 4.21Å; F489-I500 HydrophobicContact CZ-CG1 4.36Å; F489-I500 HydrophobicContact CZ-CG2 3.78Å |
| 490 | P | 60.1 | Low | 69.8 | Low | 84 Ų | 84 | 77 Ų | 77 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 135.1 | 173.4 | 24.3 | -29.4 | 0 | 0 | 0 | 108.9 | A492 | P490-A492 PolarHBondContact O-N 3.15Å |
| 491 | E | 56.8 | Low | 69.1 | Low | 154 Ų | 154 | 83.5 Ų | 83.5 | 72% | 0.72 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 126.3 | 174.3 | -83.7 | -178.2 | 148.4 | 0 | 0 | 109.5 | F489 N493 | F489-E491 PolarHBondContact O-N 3.26Å; E491-N493 PolarHBondContact O-N 3.34Å |
| 492 | A | 54.3 | Low | 68.7 | Low | 68 Ų | 68 | 85 Ų | 85 | 56% | 0.562 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 121.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109 | P490 S494 | P490-A492 PolarHBondContact O-N 3.15Å; A492-S494 PolarHBondContact O-N 2.94Å |
| 493 | N | 50.5 | Low | 68.3 | Low | 160 Ų | 160 | 87.6 Ų | 87.6 | 86% | 0.856 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 127.1 | 156.2 | -70.2 | -25.1 | 0 | 0 | 0 | 107.3 | E491 G495 | E491-N493 PolarHBondContact O-N 3.34Å; N493-G495 PolarHBondContact O-N 2.83Å |
| 494 | S | 51.4 | Low | 68.2 | Low | 129 Ų | 129 | 90.3 Ų | 90.3 | 90% | 0.902 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -35.6 | 121 | 177 | 168.8 | 0 | 0 | 0 | 0 | 112.6 | A492 | A492-S494 PolarHBondContact O-N 2.94Š|
| 495 | G | 51.7 | Low | 68.1 | Low | 69 Ų | 69 | 92.2 Ų | 92.2 | 71% | 0.711 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 147.3 | -28 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | N493 | N493-G495 PolarHBondContact O-N 2.83Š|
| 496 | N | 54.6 | Low | 68.3 | Low | 140 Ų | 140 | 93.4 Ų | 93.4 | 75% | 0.749 | 54% | 0.543 | S | S | * | . | trans | -113.1 | 123.2 | -171.8 | -64.8 | -4.6 | 0 | 0 | 0 | 112.2 | R498 | N496-R498 PolarHBondContact O-N 2.03Š| ||
| 497 | E | 57.8 | Low | 68.4 | Low | 193 Ų | 193 | 95.8 Ų | 95.8 | 90% | 0.902 | 56% | 0.557 | S | S | * | * | trans | -59.8 | 133.1 | 166 | -69.1 | -176.4 | 168.2 | 0 | 0 | 109.3 | ||||
| 498 | R | 62.6 | Low | 69 | Low | 151 Ų | 151 | 100.3 Ų | 100.3 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | trans | -124.9 | 128.2 | 176.4 | -76.2 | -173.6 | 176.8 | 171.2 | 1.3 | 109.4 | N496 | N496-R498 PolarHBondContact O-N 2.03Š| ||
| 499 | T | 67 | Low | 69.6 | Low | 146 Ų | 146 | 100.6 Ų | 100.6 | 90% | 0.896 | 57% | 0.571 | S | S | * | * | trans | -83.4 | 130.4 | 171.1 | -50.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 500 | I | 68.8 | Low | 70.5 | Confident | 54 Ų | 54 | 101.9 Ų | 101.9 | 28% | 0.277 | 58% | 0.58 | S | S | . | * | trans | -112.6 | 124.2 | 175.1 | -60.1 | 167.1 | 0 | 0 | 0 | 107.2 | L454 F489 | L454-I500 HydrophobicContact CD1-CD1 3.39Å; F489-I500 HydrophobicContact CE1-CD1 4.28Å; F489-I500 HydrophobicContact CE1-CG1 3.98Å; F489-I500 HydrophobicContact CE1-CG2 4.21Å; F489-I500 HydrophobicContact CZ-CG1 4.36Å; F489-I500 HydrophobicContact CZ-CG2 3.78Å | ||
| 501 | L | 71.8 | Confident | 71.9 | Confident | 142 Ų | 142 | 101.2 Ų | 101.2 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | trans | -78.9 | 126.5 | 174.4 | -168 | 126.9 | 0 | 0 | 0 | 109.1 | ||||
| 502 | I | 81.6 | Confident | 73.1 | Confident | 60 Ų | 60 | 95.5 Ų | 95.5 | 31% | 0.308 | 55% | 0.551 | S | S | . | * | trans | -115.4 | 130.1 | 176.9 | -58.1 | 160.3 | 0 | 0 | 0 | 106.9 | V409 L412 L413 G456 | V409-I502 HydrophobicContact CB-CD1 4.43Å; V409-I502 HydrophobicContact CG1-CD1 3.63Å; V409-I502 HydrophobicContact CG1-CG1 3.82Å; V409-I502 HydrophobicContact CG1-CG2 4.3Å; V409-I502 HydrophobicContact CG2-CD1 4.06Å; L412-I502 HydrophobicContact CD1-CD1 4.24Å; L413-I502 HydrophobicContact CD1-CG2 4.06Å; L413-I502 HydrophobicContact CD2-CG2 3.24Å; L413-I502 HydrophobicContact CG-CG2 3.53Å; G456-I502 CarbonylContact O-C 3.52Å; G456-I502 VanDerWaalsContact O-CA 3.28Å; G456-I502 WeakPolarHBondContact O-CA 2.96Å | ||
| 503 | S | 82.4 | Confident | 74.1 | Confident | 54 Ų | 54 | 96.1 Ų | 96.1 | 38% | 0.378 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.7 | -176.3 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | G456 A457 L458 | G456-S503 PolarHBondContact O-N 3.23Å; A457-S503 CarbonylContact C-O 3.6Å; A457-S503 WeakPolarHBondContact CA-O 3.36Å; A457-S503 WeakPolarHBondContact CB-O 3.45Å; A457-S503 WeakPolarHBondContact CB-OG 3.49Å; L458-S503 PolarHBondContact N-O 3.11Å |
| 504 | T | 85.8 | Confident | 75.2 | Confident | 81 Ų | 81 | 94.3 Ų | 94.3 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.2 | 168.9 | -57.2 | 0 | 0 | 0 | 0 | 109 | L458 | L458-T504 HydrophobicContact CB-CG2 4.27Å; L458-T504 HydrophobicContact CD2-CG2 4.28Å; L458-T504 HydrophobicContact CG-CG2 4.38Å; L458-T504 CarbonylContact O-C 3.57Å; L458-T504 VanDerWaalsContact O-CA 3.28Å; L458-T504 WeakPolarHBondContact O-CA 3.29Å |
| 505 | A | 86.3 | Confident | 75.7 | Confident | 45 Ų | 45 | 91.8 Ų | 91.8 | 37% | 0.372 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L458 V459 I460 | L458-A505 PolarHBondContact O-N 2.93Å; V459-A505 CarbonylContact C-O 3.56Å; V459-A505 WeakPolarHBondContact CA-O 3.44Å; I460-A505 PolarHBondContact N-O 2.85Å |
| 506 | V | 88.8 | Confident | 76 | Confident | 76 Ų | 76 | 97.4 Ų | 97.4 | 46% | 0.461 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.2 | 176 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | I460 V462 F508 | I460-V506 HydrophobicContact CB-CG1 4.28Å; I460-V506 HydrophobicContact CB-CG2 4.19Å; I460-V506 HydrophobicContact CD1-CG2 4.25Å; I460-V506 HydrophobicContact CG2-CG1 4.37Å; I460-V506 CarbonylContact O-C 3.55Å; I460-V506 VanDerWaalsContact O-CA 3.27Å; I460-V506 WeakPolarHBondContact O-CA 3.42Å; V462-V506 HydrophobicContact CG2-CG1 4.23Å; V506-F508 HydrophobicContact CG1-CE2 3.86Å; V506-F508 HydrophobicContact CG1-CZ 4.2Å |
| 507 | T | 87.5 | Confident | 76 | Confident | 61 Ų | 61 | 96.1 Ų | 96.1 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.4 | 130.1 | -178.7 | 53.7 | 0 | 0 | 0 | 0 | 111 | I460 V462 | I460-T507 PolarHBondContact O-N 3.17Å; V462-T507 PolarHBondContact N-O 2.9Å |
| 508 | F | 87.9 | Confident | 76.1 | Confident | 143 Ų | 143 | 90.1 Ų | 90.1 | 63% | 0.627 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.2 | 176.3 | -66.2 | -95.2 | 0 | 0 | 0 | 110 | V462 V506 | V462-F508 HydrophobicContact CB-CD1 3.77Å; V462-F508 HydrophobicContact CB-CE1 3.93Å; V462-F508 HydrophobicContact CB-CG 4.41Å; V462-F508 HydrophobicContact CG1-CD1 3.77Å; V462-F508 HydrophobicContact CG1-CE1 3.83Å; V462-F508 HydrophobicContact CG2-CD1 4.41Å; V462-F508 HydrophobicContact CG2-CE1 4.12Å; V462-F508 HydrophobicContact CG2-CZ 4.5Å; V462-F508 CarbonylContact O-C 3.5Å; V462-F508 WeakPolarHBondContact O-CA 3.46Å; V506-F508 HydrophobicContact CG1-CE2 3.86Å; V506-F508 HydrophobicContact CG1-CZ 4.2Å |
| 509 | V | 86.3 | Confident | 75.6 | Confident | 53 Ų | 53 | 93.2 Ų | 93.2 | 32% | 0.321 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.1 | -176 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | E461 V462 K463 W464 V511 | E461-V509 HydrophobicContact CG-CG2 4Å; V462-V509 PolarHBondContact O-N 2.9Å; K463-V509 WeakPolarHBondContact CA-O 3.28Å; K463-V509 HydrophobicContact CG-CB 4.38Å; W464-V509 VanDerWaalsContact CD1-O 3.31Å; W464-V509 PolarHBondContact N-O 3.07Å; V509-V511 HydrophobicContact CG1-CG1 4.27Å; V509-V511 PolarHBondContact O-N 3.21Å |
| 510 | D | 86.6 | Confident | 74.9 | Confident | 77 Ų | 77 | 97.8 Ų | 97.8 | 41% | 0.412 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 119.2 | 173.5 | -171.3 | -5.9 | 0 | 0 | 0 | 109.6 | W464 S512 | W464-D510 HydrophobicContact CH2-CB 4.28Å; W464-D510 HydrophobicContact CZ2-CB 3.67Å; D510-S512 WeakPolarHBondContact OD1-CB 3.41Å; D510-S512 PolarHBondContact OD1-N 3.03Å; D510-S512 PolarHBondContact OD1-OG 3.25Å |
| 511 | V | 88.8 | Confident | 74.4 | Confident | 69 Ų | 69 | 99.3 Ų | 99.3 | 42% | 0.418 | 59% | 0.586 | S | S | . | * | trans | -115.5 | 23.1 | 175.3 | -62.2 | 0 | 0 | 0 | 0 | 112 | K463 W464 V478 V509 A513 | K463-V511 HydrophobicContact CB-CG1 4.18Å; K463-V511 HydrophobicContact CB-CG2 4.16Å; K463-V511 HydrophobicContact CD-CG1 4.15Å; K463-V511 HydrophobicContact CG-CG1 4.24Å; W464-V511 VanDerWaalsContact O-CG2 3.27Å; W464-V511 WeakPolarHBondContact O-CG2 3.36Å; W464-V511 PolarHBondContact O-N 3.16Å; V478-V511 HydrophobicContact CG2-CG2 3.69Å; V509-V511 HydrophobicContact CG1-CG1 4.27Å; V509-V511 PolarHBondContact O-N 3.21Å; V511-A513 PolarHBondContact O-N 3.19Å | ||
| 512 | S | 82.3 | Confident | 73.8 | Confident | 34 Ų | 34 | 97.9 Ų | 97.9 | 24% | 0.238 | 59% | 0.586 | C | S | . | * | P | Polyproline II helix | trans | -62 | 128.4 | 178 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | T465 K466 D510 | T465-S512 WeakPolarHBondContact OG1-CA 3.39Å; K466-S512 WeakPolarHBondContact CG-OG 3.47Å; K466-S512 PolarHBondContact N-OG 3.08Å; D510-S512 WeakPolarHBondContact OD1-CB 3.41Å; D510-S512 PolarHBondContact OD1-N 3.03Å; D510-S512 PolarHBondContact OD1-OG 3.25Å |
| 513 | A | 76.2 | Confident | 72.5 | Confident | 82 Ų | 82 | 100.6 Ų | 100.6 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -73 | 154 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V511 A515 | V511-A513 PolarHBondContact O-N 3.19Å; A513-A515 PolarHBondContact O-N 3.01Å |
| 514 | P | 72.3 | Confident | 71.4 | Confident | 122 Ų | 122 | 102.1 Ų | 102.1 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 140 | 168.2 | -22.9 | 33.3 | 0 | 0 | 0 | 110.7 | E516 | P514-E516 PolarHBondContact O-N 2.93Š|
| 515 | A | 61.8 | Low | 70.5 | Confident | 75 Ų | 75 | 105.7 Ų | 105.7 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -72 | 123.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L470 A513 | L470-A515 HydrophobicContact CD1-CB 3.57Å; A513-A515 PolarHBondContact O-N 3.01Å |
| 516 | E | 60 | Low | 69.2 | Low | 187 Ų | 187 | 110.9 Ų | 110.9 | 87% | 0.874 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 140 | 172.2 | -67.1 | -174.4 | 168.7 | 0 | 0 | 110.3 | P514 G518 | P514-E516 PolarHBondContact O-N 2.93Å; E516-G518 PolarHBondContact O-N 3.07Å |
| 517 | A | 54.3 | Low | 68.2 | Low | 114 Ų | 114 | 110.7 Ų | 110.7 | 94% | 0.942 | 67% | 0.665 | S | S | * | * | trans | -71.6 | 102.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 518 | G | 58.3 | Low | 67.1 | Low | 67 Ų | 67 | 119.5 Ų | 119.5 | 69% | 0.691 | 69% | 0.691 | S | S | * | * | trans | -125.9 | 137.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E516 | E516-G518 PolarHBondContact O-N 3.07Š| ||
| 519 | F | 53.5 | Low | 66.5 | Low | 215 Ų | 215 | 117.1 Ų | 117.1 | 94% | 0.943 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 136.6 | 170.6 | -64.3 | -83.3 | 0 | 0 | 0 | 109.5 | ||
| 520 | R | 51.3 | Low | 66.1 | Low | 243 Ų | 243 | 118.4 Ų | 118.4 | 92% | 0.917 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.8 | 171.4 | -125.7 | 179.9 | -168.2 | -176.9 | 2.6 | 108.7 | ||
| 521 | A | 59.3 | Low | 65.5 | Low | 85 Ų | 85 | 125.1 Ų | 125.1 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 134.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 522 | P | 59.5 | Low | 64.6 | Low | 113 Ų | 113 | 127 Ų | 127 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138.8 | 177 | 20.6 | -29.4 | 0 | 0 | 0 | 109.4 | A524 | P522-A524 PolarHBondContact O-N 3.03Š|
| 523 | P | 52.7 | Low | 64.3 | Low | 116 Ų | 116 | 130.9 Ų | 130.9 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.3 | -178.1 | 22.1 | -31.3 | 0 | 0 | 0 | 110.1 | I525 | P523-I525 PolarHBondContact O-N 3.09Å; P523-I525 VanDerWaalsContact O-N 3.08Å |
| 524 | A | 59.6 | Low | 64.3 | Low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | -64.7 | 112.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P522 N526 | P522-A524 PolarHBondContact O-N 3.03Å; A524-N526 PolarHBondContact O-N 2.76Å | ||
| 525 | I | 66.9 | Low | 64.1 | Low | 156 Ų | 156 | 135.3 Ų | 135.3 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | trans | -73.1 | 95.1 | 173.7 | -56.1 | 177.3 | 0 | 0 | 0 | 107.1 | P523 A527 | P523-I525 PolarHBondContact O-N 3.09Å; P523-I525 VanDerWaalsContact O-N 3.08Å; I525-A527 HydrophobicContact CG2-CB 4.09Å; I525-A527 PolarHBondContact O-N 2.89Å | ||
| 526 | N | 58.5 | Low | 64.5 | Low | 154 Ų | 154 | 135.8 Ų | 135.8 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -74.4 | 72.3 | 166.6 | -85.7 | -34.9 | 0 | 0 | 0 | 109.2 | A524 R528 | A524-N526 PolarHBondContact O-N 2.76Å; N526-R528 PolarHBondContact O-N 2.9Å; N526-R528 VanDerWaalsContact O-N 3.1Å | ||
| 527 | A | 68.3 | Low | 64.9 | Low | 71 Ų | 71 | 135.8 Ų | 135.8 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | trans | -70.7 | 102.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I525 L529 | I525-A527 HydrophobicContact CG2-CB 4.09Å; I525-A527 PolarHBondContact O-N 2.89Å; A527-L529 PolarHBondContact O-N 3.38Å | ||
| 528 | R | 64.7 | Low | 65.1 | Low | 246 Ų | 246 | 138.4 Ų | 138.4 | 93% | 0.928 | 73% | 0.731 | S | S | * | * | trans | -81.8 | 101.3 | 161.7 | -76.9 | -173 | 177.5 | -179.5 | 0.1 | 107.9 | N526 | N526-R528 PolarHBondContact O-N 2.9Å; N526-R528 VanDerWaalsContact O-N 3.1Å | ||
| 529 | L | 76.2 | Confident | 65.4 | Low | 93 Ų | 93 | 142 Ų | 142 | 49% | 0.487 | 73% | 0.733 | S | S | . | * | trans | -72.1 | 138 | 173.5 | -64.2 | 173.2 | 0 | 0 | 0 | 109.5 | A527 F533 F534 | A527-L529 PolarHBondContact O-N 3.38Å; L529-F533 HydrophobicContact CB-CB 3.99Å; L529-F533 HydrophobicContact CB-CG 4.15Å; L529-F533 HydrophobicContact CD1-CD1 3.74Å; L529-F533 HydrophobicContact CD1-CE1 4.02Å; L529-F533 HydrophobicContact CD1-CG 4.13Å; L529-F533 HydrophobicContact CD2-CD1 4.14Å; L529-F533 HydrophobicContact CD2-CD2 3.72Å; L529-F533 HydrophobicContact CD2-CE1 4.18Å; L529-F533 HydrophobicContact CD2-CE2 3.78Å; L529-F533 HydrophobicContact CD2-CG 3.9Å; L529-F533 HydrophobicContact CD2-CZ 4.01Å; L529-F533 HydrophobicContact CG-CD1 4.37Å; L529-F533 HydrophobicContact CG-CG 4.28Å; L529-F534 HydrophobicContact CD1-CE2 4.29Å | ||
| 530 | P | 77.1 | Confident | 66.1 | Low | 80 Ų | 80 | 138.2 Ų | 138.2 | 52% | 0.519 | 72% | 0.722 | S | S | . | * | trans | -55.3 | 149.5 | 170 | -22.4 | 32.4 | 0 | 0 | 0 | 111 | N532 F533 | P530-N532 WeakPolarHBondContact CB-OD1 3.47Å; P530-N532 PolarHBondContact O-N 3.03Å; P530-F533 WeakPolarHBondContact O-CB 3.5Å; P530-F533 PolarHBondContact O-N 3.44Å | ||
| 531 | F | 73.1 | Confident | 66.9 | Low | 218 Ų | 218 | 132.3 Ų | 132.3 | 96% | 0.956 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -25.6 | -176.4 | 173 | -98.2 | 0 | 0 | 0 | 114.2 | ||
| 532 | N | 70 | Confident | 67.3 | Low | 109 Ų | 109 | 135.1 Ų | 135.1 | 58% | 0.583 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 12.7 | -175.4 | 54.5 | -25.3 | 0 | 0 | 0 | 114.2 | P530 F534 F535 | P530-N532 WeakPolarHBondContact CB-OD1 3.47Å; P530-N532 PolarHBondContact O-N 3.03Å; N532-F534 PolarHBondContact O-N 2.78Å; N532-F534 VanDerWaalsContact O-N 3.07Å; N532-F535 HydrophobicContact CB-CB 4.48Å; N532-F535 PolarHBondContact O-N 3.45Å |
| 533 | F | 76.8 | Confident | 67.8 | Low | 116 Ų | 116 | 136.5 Ų | 136.5 | 51% | 0.509 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.2 | -30.5 | -175.4 | -178.3 | -98.2 | 0 | 0 | 0 | 114 | L529 P530 | L529-F533 HydrophobicContact CB-CB 3.99Å; L529-F533 HydrophobicContact CB-CG 4.15Å; L529-F533 HydrophobicContact CD1-CD1 3.74Å; L529-F533 HydrophobicContact CD1-CE1 4.02Å; L529-F533 HydrophobicContact CD1-CG 4.13Å; L529-F533 HydrophobicContact CD2-CD1 4.14Å; L529-F533 HydrophobicContact CD2-CD2 3.72Å; L529-F533 HydrophobicContact CD2-CE1 4.18Å; L529-F533 HydrophobicContact CD2-CE2 3.78Å; L529-F533 HydrophobicContact CD2-CG 3.9Å; L529-F533 HydrophobicContact CD2-CZ 4.01Å; L529-F533 HydrophobicContact CG-CD1 4.37Å; L529-F533 HydrophobicContact CG-CG 4.28Å; P530-F533 WeakPolarHBondContact O-CB 3.5Å; P530-F533 PolarHBondContact O-N 3.44Å |
| 534 | F | 76.5 | Confident | 68.8 | Low | 125 Ų | 125 | 137.9 Ų | 137.9 | 55% | 0.548 | 71% | 0.707 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104 | 12.7 | 179 | -61 | -80.2 | 0 | 0 | 0 | 115 | L529 N532 P536 F537 V538 | L529-F534 HydrophobicContact CD1-CE2 4.29Å; N532-F534 PolarHBondContact O-N 2.78Å; N532-F534 VanDerWaalsContact O-N 3.07Å; F534-P536 CarbonylContact O-C 3.59Å; F534-F537 PolarHBondContact O-N 3.42Å; F534-V538 HydrophobicContact CB-CG2 3.15Å; F534-V538 HydrophobicContact CD1-CG2 4.35Å; F534-V538 HydrophobicContact CG-CG2 3.89Å; F534-V538 PolarHBondContact O-N 2.93Å |
| 535 | F | 67.1 | Low | 69.5 | Low | 172 Ų | 172 | 141.5 Ų | 141.5 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 132 | 178.8 | -168.9 | -90.8 | 0 | 0 | 0 | 111.7 | N532 | N532-F535 HydrophobicContact CB-CB 4.48Å; N532-F535 PolarHBondContact O-N 3.45Å |
| 536 | P | 71.3 | Confident | 69.7 | Low | 85 Ų | 85 | 140.4 Ų | 140.4 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -101.3 | 29.1 | -5.1 | 40.8 | -34 | 0 | 0 | 0 | 113.1 | F534 V538 | F534-P536 CarbonylContact O-C 3.59Å; P536-V538 VanDerWaalsContact C-N 3.32Å; P536-V538 PolarHBondContact O-N 3.34Å |
| 537 | F | 68.1 | Low | 70.6 | Confident | 187 Ų | 187 | 139.3 Ų | 139.3 | 82% | 0.82 | 69% | 0.689 | S | S | * | * | trans | -91.1 | 17.4 | -169.7 | -59.8 | -72.6 | 0 | 0 | 0 | 114.3 | F534 | F534-F537 PolarHBondContact O-N 3.42Š| ||
| 538 | V | 58.6 | Low | 70.8 | Confident | 169 Ų | 169 | 145.5 Ų | 145.5 | 100% | 1.024 | 70% | 0.698 | S | S | * | * | trans | -128.6 | 0 | 165 | -143.4 | 0 | 0 | 0 | 0 | 110.5 | F534 P536 | F534-V538 HydrophobicContact CB-CG2 3.15Å; F534-V538 HydrophobicContact CD1-CG2 4.35Å; F534-V538 HydrophobicContact CG-CG2 3.89Å; F534-V538 PolarHBondContact O-N 2.93Å; P536-V538 VanDerWaalsContact C-N 3.32Å; P536-V538 PolarHBondContact O-N 3.34Å |
Retrieved 538 of 538 residues in 318.9 ms
(Link to these results)