| 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 | 34.3 | Very low | 29.1 | Very low | 246 Ų | 246 | 163.5 Ų | 163.5 | 100% | 1.212 | 86% | 0.864 | S | S | * | * | 0 | 102 | 0 | -76.7 | 176.8 | 153.1 | 0 | 0 | 106.9 | |||||
| 2 | S | 26.4 | Very low | 29.3 | Very low | 119 Ų | 119 | 164 Ų | 164 | 83% | 0.832 | 86% | 0.858 | S | S | * | * | trans | -91.3 | 134.8 | -179.4 | -51 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3 | V | 29.4 | Very low | 29.2 | Very low | 143 Ų | 143 | 162.9 Ų | 162.9 | 87% | 0.867 | 85% | 0.854 | S | S | * | * | trans | -128.6 | 118.1 | 164.4 | -174.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 4 | Q | 29.3 | Very low | 29.3 | Very low | 182 Ų | 182 | 158.7 Ų | 158.7 | 85% | 0.85 | 84% | 0.843 | S | S | * | * | trans | -83.7 | 147.3 | -177.1 | -79.5 | 166.1 | -44.7 | 0 | 0 | 111.4 | ||||
| 5 | N | 24.5 | Very low | 29.3 | Very low | 154 Ų | 154 | 157.1 Ų | 157.1 | 82% | 0.824 | 85% | 0.845 | S | S | * | * | trans | -62.3 | 156.3 | 168.1 | -71.8 | -29.6 | 0 | 0 | 0 | 112.6 | ||||
| 6 | S | 29.5 | Very low | 29.6 | Very low | 116 Ų | 116 | 156.2 Ų | 156.2 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | -148.3 | 114.7 | 150.8 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 7 | D | 27.5 | Very low | 29.6 | Very low | 151 Ų | 151 | 158.9 Ų | 158.9 | 81% | 0.807 | 84% | 0.841 | S | S | * | * | trans | -49.9 | 136.4 | 167.3 | -78.8 | -56.3 | 0 | 0 | 0 | 112.8 | ||||
| 8 | W | 29.9 | Very low | 29.7 | Very low | 253 Ų | 253 | 163.6 Ų | 163.6 | 96% | 0.958 | 85% | 0.845 | S | S | * | * | trans | -98.5 | 88.9 | 160.6 | -93.2 | 76.4 | 0 | 0 | 0 | 109 | ||||
| 9 | S | 27.9 | Very low | 29.9 | Very low | 95 Ų | 95 | 163.6 Ų | 163.6 | 66% | 0.664 | 84% | 0.841 | S | S | * | * | trans | -77.1 | 130.4 | 166.6 | -67.1 | 0 | 0 | 0 | 0 | 110 | Q11 | S9-Q11 PolarHBondContact O-N 2.92Š| ||
| 10 | L | 31.2 | Very low | 30.1 | Very low | 160 Ų | 160 | 161.5 Ų | 161.5 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | trans | -49.9 | 121.7 | 170.6 | -83.3 | 84.9 | 0 | 0 | 0 | 110.9 | ||||
| 11 | Q | 30.7 | Very low | 30.5 | Very low | 179 Ų | 179 | 161.1 Ų | 161.1 | 84% | 0.836 | 84% | 0.837 | S | S | * | * | trans | -103.1 | 101.3 | 159.3 | -101.6 | 174 | -54.3 | 0 | 0 | 109.8 | S9 | S9-Q11 PolarHBondContact O-N 2.92Š| ||
| 12 | Q | 31.4 | Very low | 30.8 | Very low | 170 Ų | 170 | 154.6 Ų | 154.6 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -58.8 | 122.9 | 158.6 | -72.4 | 160.1 | -15 | 0 | 0 | 109.3 | ||||
| 13 | N | 27.2 | Very low | 31.3 | Very low | 150 Ų | 150 | 155.1 Ų | 155.1 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -137.6 | 75.8 | 157.9 | -86.7 | -38.3 | 0 | 0 | 0 | 107.7 | ||||
| 14 | C | 31.2 | Very low | 31.6 | Very low | 104 Ų | 104 | 155.9 Ų | 155.9 | 70% | 0.703 | 81% | 0.811 | S | S | * | * | trans | -90.5 | 132.9 | 154.7 | -77.2 | 0 | 0 | 0 | 0 | 106.8 | I16 | C14-I16 VanDerWaalsContact C-N 3.27Å; C14-I16 HydrophobicContact CB-CG1 4.39Å; C14-I16 PolarHBondContact O-N 3.26Å | ||
| 15 | P | 29.8 | Very low | 31.6 | Very low | 134 Ų | 134 | 152.4 Ų | 152.4 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -74.1 | 89.8 | 171.7 | 30.1 | -28.7 | 0 | 0 | 0 | 107.8 | ||||
| 16 | I | 32.9 | Very low | 32.1 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | -82.4 | 125.7 | 165.5 | -64.6 | -178.8 | 0 | 0 | 0 | 106.5 | C14 R18 | C14-I16 VanDerWaalsContact C-N 3.27Å; C14-I16 HydrophobicContact CB-CG1 4.39Å; C14-I16 PolarHBondContact O-N 3.26Å; I16-R18 PolarHBondContact O-N 3.43Å; I16-R18 VanDerWaalsContact O-N 3.15Å | ||
| 17 | F | 29.8 | Very low | 32.2 | Very low | 202 Ų | 202 | 152.3 Ų | 152.3 | 89% | 0.886 | 81% | 0.806 | S | S | * | * | trans | -43.6 | 115.7 | 164.2 | -95.1 | -103.6 | 0 | 0 | 0 | 109.3 | E19 | F17-E19 PolarHBondContact O-N 3.38Š| ||
| 18 | R | 31.1 | Very low | 32.4 | Very low | 243 Ų | 243 | 150.6 Ų | 150.6 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -80.9 | 113 | 167.1 | -80.2 | -152.2 | 173.9 | -158.7 | -0.3 | 108.4 | I16 | I16-R18 PolarHBondContact O-N 3.43Å; I16-R18 VanDerWaalsContact O-N 3.15Å | ||
| 19 | E | 34.5 | Very low | 32.5 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 146.8 | 158.3 | -81.5 | -172.2 | 117.5 | 0 | 0 | 109.9 | F17 | F17-E19 PolarHBondContact O-N 3.38Š|
| 20 | P | 33.7 | Very low | 32.7 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 135 | 173 | 19.6 | -9 | 0 | 0 | 0 | 111.1 | ||
| 21 | D | 39.2 | Very low | 32.6 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 141.4 | 175 | -64.4 | -57.6 | 0 | 0 | 0 | 111.8 | ||
| 22 | P | 39.4 | Very low | 32.7 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 147.7 | 173.6 | 29.3 | -32.9 | 0 | 0 | 0 | 111.4 | I24 | P22-I24 PolarHBondContact O-N 3.49Š|
| 23 | P | 36.7 | Very low | 32.5 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 125.4 | -176.8 | 28.9 | -32.3 | 0 | 0 | 0 | 111.1 | S25 | P23-S25 PolarHBondContact O-N 3.45Š|
| 24 | I | 36.2 | Very low | 32.5 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | -72 | 114.2 | 169.1 | -63.9 | 170.9 | 0 | 0 | 0 | 108 | P22 | P22-I24 PolarHBondContact O-N 3.49Š| ||
| 25 | S | 29.6 | Very low | 32.3 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -80.5 | 125.6 | 166.9 | 56.7 | 0 | 0 | 0 | 0 | 110.2 | P23 | P23-S25 PolarHBondContact O-N 3.45Š| ||
| 26 | S | 35.3 | Very low | 32.3 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -127.1 | 119.1 | 161.7 | -66.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 27 | D | 30.1 | Very low | 32 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -61 | 142.7 | 177.2 | -71 | -50.2 | 0 | 0 | 0 | 112.9 | ||||
| 28 | S | 33.5 | Very low | 31.9 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -172.3 | 106.9 | 135.7 | -80.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 29 | H | 30.8 | Very low | 32 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 55.1 | 115.5 | 140.5 | -79.5 | -80.3 | 0 | 0 | 0 | 123.6 | ||||
| 30 | S | 33.1 | Very low | 31.8 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | 77.8 | 123.8 | 127.9 | 65.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 31 | G | 28.5 | Very low | 31.6 | Very low | 77 Ų | 77 | 141.4 Ų | 141.4 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 144 | 89.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 32 | H | 32.8 | Very low | 31.3 | Very low | 193 Ų | 193 | 139.6 Ų | 139.6 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -60.7 | 141.1 | 161 | -70 | -99.1 | 0 | 0 | 0 | 110.1 | ||||
| 33 | Q | 26.7 | Very low | 31 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | 168.2 | 120.7 | 110.9 | -161.3 | 137.6 | 37.6 | 0 | 0 | 112.8 | |||||
| 34 | L | 26.7 | Very low | 30.9 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | 6.5 | 125.9 | 143.9 | -94.4 | 143.3 | 0 | 0 | 0 | 118.6 | ||||
| 35 | V | 28.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | -152.1 | 109.9 | 128 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | C37 | V35-C37 HydrophobicContact CG1-CB 4.24Š| |||
| 36 | E | 28.5 | Very low | 30.6 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 140.5 | 151.8 | -72 | -178.4 | 133 | 0 | 0 | 108.4 | ||||
| 37 | C | 26.7 | Very low | 30.5 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 66% | 0.655 | 80% | 0.8 | S | S | * | * | trans | -165.6 | 102.7 | 158.6 | -103.4 | 0 | 0 | 0 | 0 | 113 | V35 | V35-C37 HydrophobicContact CG1-CB 4.24Š| ||
| 38 | Y | 27 | Very low | 30.5 | Very low | 211 Ų | 211 | 139.1 Ų | 139.1 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | 56.6 | 139.5 | 136.6 | 78.8 | -94.6 | 0 | 0 | 0 | 123.5 | ||||
| 39 | M | 35.2 | Very low | 30.7 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | trans | -70.3 | 145.2 | 167.1 | -61.9 | -78.6 | 175.8 | 0 | 0 | 111.9 | ||||
| 40 | D | 28.7 | Very low | 30.7 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | -177 | 118.6 | 117.7 | -106.2 | -25.5 | 0 | 0 | 0 | 114.4 | |||||
| 41 | T | 30.7 | Very low | 30.8 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | 55.6 | 126.3 | 120.3 | -38.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 42 | S | 33 | Very low | 31.3 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 99.2 | 113.4 | 144.8 | -42.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 43 | G | 32.4 | Very low | 31.7 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 173.4 | 87.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 44 | Q | 34.5 | Very low | 32.4 | Very low | 203 Ų | 203 | 131.1 Ų | 131.1 | 95% | 0.949 | 78% | 0.779 | S | S | * | * | trans | -68.1 | 133.8 | 166.5 | -73.3 | 178.6 | -28.7 | 0 | 0 | 109.9 | ||||
| 45 | A | 29.6 | Very low | 33.2 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | 173.3 | 116.5 | 132.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 46 | S | 30.8 | Very low | 33.8 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 52.6 | 125.7 | 139.3 | 32.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 47 | T | 32.9 | Very low | 34.1 | Very low | 136 Ų | 136 | 129 Ų | 129 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 61.8 | 106 | 140.2 | 62.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 48 | D | 30.1 | Very low | 35.2 | Very low | 158 Ų | 158 | 131.4 Ų | 131.4 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | -169.3 | 156.1 | 107.4 | -145.3 | -12.6 | 0 | 0 | 0 | 111.5 | |||||
| 49 | S | 36.4 | Very low | 36.2 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -71 | 125.7 | -178.3 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 50 | S | 32.5 | Very low | 36.7 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -158.2 | 84.8 | 149.8 | -162.1 | 0 | 0 | 0 | 0 | 109.6 | G52 | S50-G52 PolarHBondContact O-N 3.09Š| ||
| 51 | L | 34.2 | Very low | 37.5 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 95% | 0.948 | 77% | 0.773 | S | S | * | * | trans | -68.9 | 90.4 | 161.7 | -85.4 | 153.7 | 0 | 0 | 0 | 107 | ||||
| 52 | G | 39 | Very low | 38.6 | Very low | 45 Ų | 45 | 125.6 Ų | 125.6 | 46% | 0.464 | 78% | 0.779 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 151 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | S50 | S50-G52 PolarHBondContact O-N 3.09Š|
| 53 | P | 42.3 | Very low | 39.7 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 132.7 | 179.7 | 24.9 | -31.5 | 0 | 0 | 0 | 108.8 | C55 | P53-C55 PolarHBondContact O-N 2.89Å; P53-C55 VanDerWaalsContact O-N 3.1Å |
| 54 | P | 40.4 | Very low | 41.5 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 121.1 | 176.3 | 24.4 | -29.8 | 0 | 0 | 0 | 107.6 | L56 | P54-L56 PolarHBondContact O-N 2.84Š|
| 55 | C | 43.3 | Very low | 43.6 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 86% | 0.858 | 75% | 0.746 | S | S | * | * | trans | -51.2 | 111.1 | 167.1 | -73.5 | 0 | 0 | 0 | 0 | 107.1 | P53 D57 | P53-C55 PolarHBondContact O-N 2.89Å; P53-C55 VanDerWaalsContact O-N 3.1Å; C55-D57 PolarHBondContact O-N 2.8Å | ||
| 56 | L | 41.6 | Very low | 46.1 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -66 | 107 | 173.3 | -72.3 | 171 | 0 | 0 | 0 | 106.7 | P54 I58 | P54-L56 PolarHBondContact O-N 2.84Å; L56-I58 PolarHBondContact O-N 3.4Å | ||
| 57 | D | 34.2 | Very low | 48.8 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | trans | -55.3 | 107.3 | 168.4 | -103 | -36.1 | 0 | 0 | 0 | 108.7 | C55 N59 Q60 | C55-D57 PolarHBondContact O-N 2.8Å; D57-N59 PolarHBondContact O-N 2.84Å; D57-Q60 PolarHBondContact O-N 2.84Å; D57-Q60 VanDerWaalsContact O-N 3.16Å | ||
| 58 | I | 51.3 | Low | 51.6 | Low | 147 Ų | 147 | 129.7 Ų | 129.7 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -62.2 | -11.5 | -178.9 | -66.6 | 170.9 | 0 | 0 | 0 | 111.6 | L56 Q60 | L56-I58 PolarHBondContact O-N 3.4Å; I58-Q60 VanDerWaalsContact C-N 3.35Å; I58-Q60 PolarHBondContact O-N 3.29Å |
| 59 | N | 48 | Very low | 54.4 | Low | 151 Ų | 151 | 125.5 Ų | 125.5 | 81% | 0.807 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -86.6 | 2.8 | 178.5 | -66.5 | -39.8 | 0 | 0 | 0 | 114.6 | D57 | D57-N59 PolarHBondContact O-N 2.84Š|
| 60 | Q | 44.2 | Very low | 57.1 | Low | 174 Ų | 174 | 123.2 Ų | 123.2 | 81% | 0.813 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -110.3 | 6.6 | 178.6 | -125.1 | 175.2 | 93.6 | 0 | 0 | 114.5 | D57 I58 | D57-Q60 PolarHBondContact O-N 2.84Å; D57-Q60 VanDerWaalsContact O-N 3.16Å; I58-Q60 VanDerWaalsContact C-N 3.35Å; I58-Q60 PolarHBondContact O-N 3.29Å |
| 61 | A | 46.5 | Very low | 60 | Low | 73 Ų | 73 | 121.2 Ų | 121.2 | 60% | 0.603 | 66% | 0.659 | S | S | * | * | trans | -96 | 12.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N63 | A61-N63 PolarHBondContact O-N 3.23Š| ||
| 62 | S | 53.7 | Low | 62.9 | Low | 117 Ų | 117 | 116.6 Ų | 116.6 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 10.4 | -166.6 | -65 | 0 | 0 | 0 | 0 | 116.2 | ||
| 63 | N | 56.6 | Low | 65.6 | Low | 137 Ų | 137 | 114.6 Ų | 114.6 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.8 | 53 | 177 | -147.4 | -1.9 | 0 | 0 | 0 | 114.7 | A61 P65 | A61-N63 PolarHBondContact O-N 3.23Å; N63-P65 WeakPolarHBondContact O-CD 3.42Å |
| 64 | W | 69.8 | Low | 68.1 | Low | 158 Ų | 158 | 111.1 Ų | 111.1 | 60% | 0.598 | 59% | 0.586 | S | S | * | * | trans | -94.6 | 111.3 | 170.1 | -163.7 | -99.4 | 0 | 0 | 0 | 110.1 | E66 F67 R68 | W64-E66 VanDerWaalsContact CD1-CB 3.41Å; W64-E66 VanDerWaalsContact NE1-CB 3.32Å; W64-E66 PolarHBondContact NE1-OE2 3.39Å; W64-E66 PolarHBondContact O-N 2.66Å; W64-E66 VanDerWaalsContact O-N 3.13Å; W64-F67 HydrophobicContact CB-CB 4.22Å; W64-F67 WeakPolarHBondContact O-CB 3.49Å; W64-F67 PolarHBondContact O-N 3.16Å; W64-R68 PolarHBondContact O-N 2.96Å | ||
| 65 | P | 78.1 | Confident | 70.7 | Confident | 87 Ų | 87 | 105.9 Ų | 105.9 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -54.1 | -33.3 | -179.5 | -27.9 | 35.9 | 0 | 0 | 0 | 113.6 | N63 F67 R68 I69 | N63-P65 WeakPolarHBondContact O-CD 3.42Å; P65-F67 VanDerWaalsContact C-N 3.34Å; P65-F67 PolarHBondContact O-N 2.85Å; P65-R68 PolarHBondContact O-N 3.36Å; P65-I69 WeakPolarHBondContact O-CG1 3.31Å; P65-I69 PolarHBondContact O-N 2.84Å |
| 66 | E | 83.1 | Confident | 73.2 | Confident | 129 Ų | 129 | 101.8 Ų | 101.8 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.3 | -30 | 179.1 | -45.3 | 177.2 | 151.1 | 0 | 0 | 112.5 | W64 I69 L70 | W64-E66 VanDerWaalsContact CD1-CB 3.41Å; W64-E66 VanDerWaalsContact NE1-CB 3.32Å; W64-E66 PolarHBondContact NE1-OE2 3.39Å; W64-E66 PolarHBondContact O-N 2.66Å; W64-E66 VanDerWaalsContact O-N 3.13Å; E66-I69 PolarHBondContact O-N 3.07Å; E66-L70 WeakPolarHBondContact O-CB 3.08Å; E66-L70 PolarHBondContact O-N 3.26Å |
| 67 | F | 87.6 | Confident | 75.8 | Confident | 115 Ų | 115 | 96 Ų | 96 | 50% | 0.504 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 177.5 | -178.4 | -108.9 | 0 | 0 | 0 | 110.9 | W64 P65 I69 L70 L71 | W64-F67 HydrophobicContact CB-CB 4.22Å; W64-F67 WeakPolarHBondContact O-CB 3.49Å; W64-F67 PolarHBondContact O-N 3.16Å; P65-F67 VanDerWaalsContact C-N 3.34Å; P65-F67 PolarHBondContact O-N 2.85Å; F67-I69 VanDerWaalsContact C-N 3.35Å; F67-L70 WeakPolarHBondContact O-CB 3.16Å; F67-L70 PolarHBondContact O-N 3.32Å; F67-L71 HydrophobicContact CD1-CD1 3.95Å; F67-L71 HydrophobicContact CD1-CG 4.41Å; F67-L71 HydrophobicContact CE1-CD1 3.38Å; F67-L71 HydrophobicContact CE1-CG 4.01Å; F67-L71 HydrophobicContact CE2-CG 4.36Å; F67-L71 HydrophobicContact CZ-CD1 3.74Å; F67-L71 HydrophobicContact CZ-CD2 4.14Å; F67-L71 HydrophobicContact CZ-CG 3.97Å; F67-L71 WeakPolarHBondContact O-CG 3.47Å; F67-L71 PolarHBondContact O-N 3.37Å |
| 68 | R | 89.9 | Confident | 78.8 | Confident | 183 Ų | 183 | 90.4 Ų | 90.4 | 69% | 0.691 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 173.7 | -63.5 | -172.3 | 70.7 | -150.2 | 1 | 111.7 | W64 P65 L70 L71 Q72 | W64-R68 PolarHBondContact O-N 2.96Å; P65-R68 PolarHBondContact O-N 3.36Å; R68-L70 VanDerWaalsContact C-N 3.33Å; R68-L71 PolarHBondContact O-N 3.38Å; R68-Q72 WeakPolarHBondContact O-CB 3.37Å; R68-Q72 PolarHBondContact O-N 3.3Å |
| 69 | I | 90.6 | Very high | 80.7 | Confident | 71 Ų | 71 | 86.3 Ų | 86.3 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.2 | -67.2 | 167.3 | 0 | 0 | 0 | 110.1 | P65 E66 F67 Q72 Q73 | P65-I69 WeakPolarHBondContact O-CG1 3.31Å; P65-I69 PolarHBondContact O-N 2.84Å; E66-I69 PolarHBondContact O-N 3.07Å; F67-I69 VanDerWaalsContact C-N 3.35Å; I69-Q72 WeakPolarHBondContact O-CB 3.3Å; I69-Q72 PolarHBondContact O-N 3.33Å; I69-Q73 HydrophobicContact CG2-CG 4.29Å; I69-Q73 WeakPolarHBondContact O-CB 3.49Å; I69-Q73 WeakPolarHBondContact O-CG 3.09Å; I69-Q73 PolarHBondContact O-N 2.9Å |
| 70 | L | 92.1 | Very high | 82.9 | Confident | 65 Ų | 65 | 82.1 Ų | 82.1 | 34% | 0.34 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 178.6 | -178.9 | 62.2 | 0 | 0 | 0 | 112 | E66 F67 R68 Q72 Q73 L74 L166 | E66-L70 WeakPolarHBondContact O-CB 3.08Å; E66-L70 PolarHBondContact O-N 3.26Å; F67-L70 WeakPolarHBondContact O-CB 3.16Å; F67-L70 PolarHBondContact O-N 3.32Å; R68-L70 VanDerWaalsContact C-N 3.33Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 PolarHBondContact O-N 3.5Å; L70-Q73 PolarHBondContact O-N 3.36Å; L70-Q73 VanDerWaalsContact O-N 3.14Å; L70-L74 HydrophobicContact CD1-CD1 3.87Å; L70-L74 HydrophobicContact CD1-CG 4.47Å; L70-L74 PolarHBondContact O-N 2.77Å; L70-L166 HydrophobicContact CD1-CD1 4.28Å; L70-L166 HydrophobicContact CD1-CD2 3.7Å |
| 71 | L | 93.8 | Very high | 85.2 | Confident | 77 Ų | 77 | 76.8 Ų | 76.8 | 40% | 0.403 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.4 | -36.1 | 177 | -71.8 | -179.9 | 0 | 0 | 0 | 112.3 | F67 R68 L74 P75 | F67-L71 HydrophobicContact CD1-CD1 3.95Å; F67-L71 HydrophobicContact CD1-CG 4.41Å; F67-L71 HydrophobicContact CE1-CD1 3.38Å; F67-L71 HydrophobicContact CE1-CG 4.01Å; F67-L71 HydrophobicContact CE2-CG 4.36Å; F67-L71 HydrophobicContact CZ-CD1 3.74Å; F67-L71 HydrophobicContact CZ-CD2 4.14Å; F67-L71 HydrophobicContact CZ-CG 3.97Å; F67-L71 WeakPolarHBondContact O-CG 3.47Å; F67-L71 PolarHBondContact O-N 3.37Å; R68-L71 PolarHBondContact O-N 3.38Å; L71-L74 CarbonylContact O-C 3.51Å; L71-P75 WeakPolarHBondContact O-CA 3.42Å |
| 72 | Q | 94 | Very high | 87.4 | Confident | 84 Ų | 84 | 80.9 Ų | 80.9 | 39% | 0.393 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | 174.6 | -172.7 | -172.2 | 6.9 | 0 | 0 | 111.7 | R68 I69 L70 R179 | R68-Q72 WeakPolarHBondContact O-CB 3.37Å; R68-Q72 PolarHBondContact O-N 3.3Å; I69-Q72 WeakPolarHBondContact O-CB 3.3Å; I69-Q72 PolarHBondContact O-N 3.33Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 PolarHBondContact O-N 3.5Å; Q72-R179 VanDerWaalsContact O-CB 3.23Å; Q72-R179 WeakPolarHBondContact O-CB 3.16Å; Q72-R179 WeakPolarHBondContact O-CD 3.49Å |
| 73 | Q | 95.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.019 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -76.6 | -33 | -177.8 | -74.2 | -176.7 | -46.4 | 0 | 0 | 112.9 | I69 L70 A162 C177 G178 R179 | I69-Q73 HydrophobicContact CG2-CG 4.29Å; I69-Q73 WeakPolarHBondContact O-CB 3.49Å; I69-Q73 WeakPolarHBondContact O-CG 3.09Å; I69-Q73 PolarHBondContact O-N 2.9Å; L70-Q73 PolarHBondContact O-N 3.36Å; L70-Q73 VanDerWaalsContact O-N 3.14Å; Q73-A162 PolarHBondContact NE2-O 3.41Å; Q73-C177 HydrophobicContact CB-CB 3.9Å; Q73-C177 HydrophobicContact CG-CB 4.01Å; Q73-G178 CarbonylContact O-C 3.58Å; Q73-G178 VanDerWaalsContact O-CA 3.32Å; Q73-G178 WeakPolarHBondContact O-CA 3.3Å; Q73-G178 PolarHBondContact O-N 3.47Å; Q73-R179 PolarHBondContact O-N 2.87Å |
| 74 | L | 95.6 | Very high | 91 | Very high | 46 Ų | 46 | 75.8 Ų | 75.8 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -132.6 | 71.7 | -177.2 | -58.3 | 177.2 | 0 | 0 | 0 | 110.4 | L70 L71 I167 F169 | L70-L74 HydrophobicContact CD1-CD1 3.87Å; L70-L74 HydrophobicContact CD1-CG 4.47Å; L70-L74 PolarHBondContact O-N 2.77Å; L71-L74 CarbonylContact O-C 3.51Å; L74-I167 HydrophobicContact CD1-CD1 3.96Å; L74-I167 HydrophobicContact CD1-CG1 3.75Å; L74-I167 HydrophobicContact CD2-CD1 3.84Å; L74-I167 HydrophobicContact CD2-CG1 3.73Å; L74-I167 HydrophobicContact CG-CG1 4.42Å; L74-F169 HydrophobicContact CD2-CE2 4.43Å |
| 75 | P | 96.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.019 | 36% | 0.364 | C | S | . | . | trans | -60.8 | 125.5 | 178.1 | -19.6 | 31.7 | 0 | 0 | 0 | 109.9 | L71 Q77 D78 R179 | L71-P75 WeakPolarHBondContact O-CA 3.42Å; P75-Q77 VanDerWaalsContact C-N 3.28Å; P75-Q77 HydrophobicContact CB-CG 4.36Å; P75-Q77 PolarHBondContact O-N 3.4Å; P75-D78 WeakPolarHBondContact O-CB 3.02Å; P75-D78 PolarHBondContact O-N 2.91Å; P75-R179 HydrophobicContact CG-CB 3.96Å; P75-R179 HydrophobicContact CG-CG 4.24Å | ||
| 76 | P | 95.6 | Very high | 91.7 | Very high | 40 Ų | 40 | 74.9 Ų | 74.9 | 26% | 0.26 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -62.2 | -36.3 | -173.7 | 23.8 | -33.9 | 0 | 0 | 0 | 112.3 | D78 S79 D80 Y83 | P76-D78 PolarHBondContact O-N 2.89Å; P76-S79 PolarHBondContact O-N 3.37Å; P76-D80 PolarHBondContact O-N 2.85Å; P76-Y83 HydrophobicContact CB-CD1 4Å; P76-Y83 HydrophobicContact CB-CD2 3.75Å; P76-Y83 HydrophobicContact CB-CE1 4.29Å; P76-Y83 HydrophobicContact CB-CE2 4.03Å; P76-Y83 HydrophobicContact CB-CG 3.7Å; P76-Y83 HydrophobicContact CG-CD1 3.99Å; P76-Y83 HydrophobicContact CG-CE1 4.46Å; P76-Y83 HydrophobicContact CG-CG 4.05Å |
| 77 | Q | 95.6 | Very high | 91.9 | Very high | 35 Ų | 35 | 70.5 Ų | 70.5 | 16% | 0.164 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -60.5 | -15.7 | 174.9 | 66.2 | -91.4 | 21.1 | 0 | 0 | 114.6 | P75 S79 C84 D193 Q194 | P75-Q77 VanDerWaalsContact C-N 3.28Å; P75-Q77 HydrophobicContact CB-CG 4.36Å; P75-Q77 PolarHBondContact O-N 3.4Å; Q77-S79 VanDerWaalsContact C-N 3.29Å; Q77-C84 PolarHBondContact O-SG 2.86Å; Q77-D193 PolarHBondContact NE2-O 3.14Å; Q77-Q194 HydrophobicContact CB-CG 4.13Å; Q77-Q194 HydrophobicContact CG-CG 3.79Å |
| 78 | D | 96 | Very high | 92 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -82.9 | -8.9 | 176.1 | -69.1 | 1.6 | 0 | 0 | 0 | 112.7 | P75 P76 C99 R188 L195 | P75-D78 WeakPolarHBondContact O-CB 3.02Å; P75-D78 PolarHBondContact O-N 2.91Å; P76-D78 PolarHBondContact O-N 2.89Å; D78-C99 PolarHBondContact O-SG 3.13Å; D78-R188 VanDerWaalsContact CG-NH2 3.34Å; D78-R188 IonicContact OD1-CZ 3.78Å; D78-R188 IonicContact OD1-NH1 3.74Å; D78-R188 PolarHBondContact OD1-NH1 3.22Å; D78-R188 IonicContact OD1-NH2 3.75Å; D78-R188 PolarHBondContact OD1-NH2 2.78Å; D78-R188 IonicContact OD2-CZ 3.21Å; D78-R188 IonicContact OD2-NH1 3.82Å; D78-R188 IonicContact OD2-NH2 3.86Å; D78-R188 PolarHBondContact OD2-NH2 3.02Å; D78-L195 HydrophobicContact CB-CD1 4.29Å |
| 79 | S | 93.1 | Very high | 92.2 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 43% | 0.427 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | -20.4 | -172.4 | -63 | 0 | 0 | 0 | 0 | 113.9 | P76 Q77 C99 | P76-S79 PolarHBondContact O-N 3.37Å; Q77-S79 VanDerWaalsContact C-N 3.29Å; S79-C99 VanDerWaalsContact CA-SG 3.58Å |
| 80 | D | 93.2 | Very high | 92.3 | Very high | 62 Ų | 62 | 69.3 Ų | 69.3 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | trans | -140.6 | 129.6 | -172.3 | -171.6 | -24.8 | 0 | 0 | 0 | 110.7 | P76 H82 Y83 | P76-D80 PolarHBondContact O-N 2.85Å; D80-H82 VanDerWaalsContact C-N 3.31Å; D80-H82 PolarHBondContact O-N 2.91Å; D80-H82 WeakPolarHBondContact OD1-CB 3.37Å; D80-H82 IonicContact OD1-CD2 3.37Å; D80-H82 PolarHBondContact OD1-CD2 2.99Å; D80-H82 IonicContact OD1-CG 2.65Å; D80-H82 PolarHBondContact OD1-N 3.15Å; D80-Y83 HydrophobicContact CB-CD2 3.8Å; D80-Y83 HydrophobicContact CB-CE2 4.14Å; D80-Y83 PolarHBondContact O-N 3.44Å | ||
| 81 | E | 92.6 | Very high | 92.4 | Very high | 63 Ų | 63 | 68.2 Ų | 68.2 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -68.7 | -26.2 | -177.7 | 60.6 | -166.1 | -132.7 | 0 | 0 | 113.9 | Y83 C84 L92 L95 R96 | E81-Y83 PolarHBondContact O-N 2.88Å; E81-Y83 VanDerWaalsContact O-N 3.15Å; E81-C84 WeakPolarHBondContact O-CB 3.45Å; E81-C84 PolarHBondContact O-N 2.94Å; E81-L92 HydrophobicContact CB-CD1 3.32Å; E81-L92 HydrophobicContact CG-CD1 4.07Å; E81-L92 VanDerWaalsContact OE2-CD1 3.26Å; E81-L92 WeakPolarHBondContact OE2-CD1 3.34Å; E81-L95 HydrophobicContact CB-CD2 4.3Å; E81-R96 IonicContact OE1-CZ 3.24Å; E81-R96 IonicContact OE1-NH2 3.6Å; E81-R96 PolarHBondContact OE1-NH2 2.86Å; E81-R96 IonicContact OE2-CZ 3Å; E81-R96 IonicContact OE2-NE 3.62Å; E81-R96 PolarHBondContact OE2-NE 2.83Å; E81-R96 IonicContact OE2-NH2 2.68Å; E81-R96 PolarHBondContact OE2-NH2 2.85Å |
| 82 | H | 92.8 | Very high | 92.5 | Very high | 159 Ų | 159 | 66.2 Ų | 66.2 | 74% | 0.736 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -63.2 | -22.1 | 179.5 | -68.9 | -64.8 | 0 | 0 | 0 | 113 | D80 | D80-H82 VanDerWaalsContact C-N 3.31Å; D80-H82 PolarHBondContact O-N 2.91Å; D80-H82 WeakPolarHBondContact OD1-CB 3.37Å; D80-H82 IonicContact OD1-CD2 3.37Å; D80-H82 PolarHBondContact OD1-CD2 2.99Å; D80-H82 IonicContact OD1-CG 2.65Å; D80-H82 PolarHBondContact OD1-N 3.15Å |
| 83 | Y | 93.8 | Very high | 92.5 | Very high | 126 Ų | 126 | 64.9 Ų | 64.9 | 49% | 0.494 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -97.7 | 0.2 | 178.7 | -59.2 | -87.1 | 0 | 0 | 0 | 113.1 | P76 D80 E81 | P76-Y83 HydrophobicContact CB-CD1 4Å; P76-Y83 HydrophobicContact CB-CD2 3.75Å; P76-Y83 HydrophobicContact CB-CE1 4.29Å; P76-Y83 HydrophobicContact CB-CE2 4.03Å; P76-Y83 HydrophobicContact CB-CG 3.7Å; P76-Y83 HydrophobicContact CG-CD1 3.99Å; P76-Y83 HydrophobicContact CG-CE1 4.46Å; P76-Y83 HydrophobicContact CG-CG 4.05Å; D80-Y83 HydrophobicContact CB-CD2 3.8Å; D80-Y83 HydrophobicContact CB-CE2 4.14Å; D80-Y83 PolarHBondContact O-N 3.44Å; E81-Y83 PolarHBondContact O-N 2.88Å; E81-Y83 VanDerWaalsContact O-N 3.15Å |
| 84 | C | 91.5 | Very high | 92.6 | Very high | 21 Ų | 21 | 67.8 Ų | 67.8 | 14% | 0.142 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -87.6 | 147.6 | 178.2 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | Q77 E81 A86 L87 | Q77-C84 PolarHBondContact O-SG 2.86Å; E81-C84 WeakPolarHBondContact O-CB 3.45Å; E81-C84 PolarHBondContact O-N 2.94Å; C84-A86 PolarHBondContact O-N 3.07Å; C84-L87 HydrophobicContact CB-CD1 3.64Å; C84-L87 HydrophobicContact CB-CG 3.82Å |
| 85 | L | 85.2 | Confident | 92.6 | Very high | 120 Ų | 120 | 65.8 Ų | 65.8 | 63% | 0.628 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -85.2 | 98 | 176 | -68.7 | 170.5 | 0 | 0 | 0 | 108.9 | L87 Q194 | L85-L87 PolarHBondContact O-N 3.29Å; L85-Q194 VanDerWaalsContact CG-NE2 3.25Å |
| 86 | A | 78.3 | Confident | 92.6 | Very high | 105 Ų | 105 | 72 Ų | 72 | 87% | 0.868 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 42.6 | 61.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | C84 | C84-A86 PolarHBondContact O-N 3.07Š|
| 87 | L | 86.8 | Confident | 92.7 | Very high | 37 Ų | 37 | 74.9 Ų | 74.9 | 19% | 0.194 | 40% | 0.4 | C | S | . | . | trans | -69.5 | 143.1 | 172.4 | -63.6 | 177.8 | 0 | 0 | 0 | 111.2 | C84 L85 E91 L95 | C84-L87 HydrophobicContact CB-CD1 3.64Å; C84-L87 HydrophobicContact CB-CG 3.82Å; L85-L87 PolarHBondContact O-N 3.29Å; L87-E91 HydrophobicContact CB-CB 4.13Å; L87-E91 HydrophobicContact CD2-CB 4.28Å; L87-L95 HydrophobicContact CD1-CD2 3.84Å | ||
| 88 | G | 90.6 | Very high | 92.8 | Very high | 38 Ų | 38 | 73.9 Ų | 73.9 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | trans | -69.4 | 165 | 169 | 0 | 0 | 0 | 0 | 0 | 112.5 | D90 E91 L92 | G88-D90 VanDerWaalsContact C-N 3.32Å; G88-D90 PolarHBondContact O-N 3.29Å; G88-E91 PolarHBondContact N-OE2 3.37Å; G88-E91 PolarHBondContact O-N 3.32Å; G88-E91 VanDerWaalsContact O-N 3.14Å; G88-L92 WeakPolarHBondContact O-CB 3.41Å; G88-L92 PolarHBondContact O-N 2.95Å | ||
| 89 | E | 93.4 | Very high | 92.8 | Very high | 176 Ų | 176 | 74.3 Ų | 74.3 | 82% | 0.822 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -56.3 | -42.7 | -177.9 | -65.3 | -177.3 | 167.5 | 0 | 0 | 113 | L92 A93 | E89-L92 WeakPolarHBondContact O-CB 3.48Å; E89-L92 PolarHBondContact O-N 3.45Å; E89-A93 PolarHBondContact O-N 3.11Å |
| 90 | D | 93.5 | Very high | 93 | Very high | 131 Ų | 131 | 73.9 Ų | 73.9 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 178.2 | -71.3 | -24.8 | 0 | 0 | 0 | 112.3 | G88 L92 A93 Q94 | G88-D90 VanDerWaalsContact C-N 3.32Å; G88-D90 PolarHBondContact O-N 3.29Å; D90-L92 VanDerWaalsContact C-N 3.34Å; D90-A93 PolarHBondContact O-N 3.43Å; D90-Q94 VanDerWaalsContact O-CG 3.3Å; D90-Q94 WeakPolarHBondContact O-CG 3.38Å; D90-Q94 PolarHBondContact O-N 2.87Å |
| 91 | E | 94.1 | Very high | 93.2 | Very high | 41 Ų | 41 | 74.9 Ų | 74.9 | 19% | 0.192 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 178.8 | -65.1 | -175.7 | 123.2 | 0 | 0 | 111.2 | L87 G88 Q94 L95 F197 S198 | L87-E91 HydrophobicContact CB-CB 4.13Å; L87-E91 HydrophobicContact CD2-CB 4.28Å; G88-E91 PolarHBondContact N-OE2 3.37Å; G88-E91 PolarHBondContact O-N 3.32Å; G88-E91 VanDerWaalsContact O-N 3.14Å; E91-Q94 WeakPolarHBondContact O-CB 3.16Å; E91-Q94 PolarHBondContact O-N 3.48Å; E91-L95 PolarHBondContact O-N 2.82Å; E91-F197 HydrophobicContact CB-CB 3.93Å; E91-F197 HydrophobicContact CG-CB 4.09Å; E91-S198 WeakPolarHBondContact OE1-CA 3.45Å; E91-S198 WeakPolarHBondContact OE1-CB 3.13Å; E91-S198 PolarHBondContact OE1-N 2.78Å |
| 92 | L | 94.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 72.3 Ų | 72.3 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 175.2 | -171.8 | 61.6 | 0 | 0 | 0 | 111.6 | E81 G88 E89 D90 Q94 L95 R96 | E81-L92 HydrophobicContact CB-CD1 3.32Å; E81-L92 HydrophobicContact CG-CD1 4.07Å; E81-L92 VanDerWaalsContact OE2-CD1 3.26Å; E81-L92 WeakPolarHBondContact OE2-CD1 3.34Å; G88-L92 WeakPolarHBondContact O-CB 3.41Å; G88-L92 PolarHBondContact O-N 2.95Å; E89-L92 WeakPolarHBondContact O-CB 3.48Å; E89-L92 PolarHBondContact O-N 3.45Å; D90-L92 VanDerWaalsContact C-N 3.34Å; L92-Q94 VanDerWaalsContact C-N 3.29Å; L92-Q94 PolarHBondContact O-N 2.85Å; L92-L95 PolarHBondContact O-N 3.45Å; L92-R96 WeakPolarHBondContact O-CG 3.41Å; L92-R96 PolarHBondContact O-N 3.41Å |
| 93 | A | 95.6 | Very high | 93.5 | Very high | 56 Ų | 56 | 70.1 Ų | 70.1 | 46% | 0.463 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E89 D90 R96 L97 | E89-A93 PolarHBondContact O-N 3.11Å; D90-A93 PolarHBondContact O-N 3.43Å; A93-R96 PolarHBondContact O-N 3.04Å; A93-L97 WeakPolarHBondContact O-CB 3.39Å; A93-L97 PolarHBondContact O-N 3.1Å |
| 94 | Q | 96.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 70.9 Ų | 70.9 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 176 | -68.9 | 176.1 | 12.1 | 0 | 0 | 112.9 | D90 E91 L92 L97 F98 F197 | D90-Q94 VanDerWaalsContact O-CG 3.3Å; D90-Q94 WeakPolarHBondContact O-CG 3.38Å; D90-Q94 PolarHBondContact O-N 2.87Å; E91-Q94 WeakPolarHBondContact O-CB 3.16Å; E91-Q94 PolarHBondContact O-N 3.48Å; L92-Q94 VanDerWaalsContact C-N 3.29Å; L92-Q94 PolarHBondContact O-N 2.85Å; Q94-L97 PolarHBondContact O-N 3.21Å; Q94-F98 WeakPolarHBondContact O-CB 3.38Å; Q94-F98 PolarHBondContact O-N 3.04Å; Q94-F197 HydrophobicContact CB-CB 4.47Å; Q94-F197 HydrophobicContact CB-CD1 3.66Å; Q94-F197 HydrophobicContact CB-CE1 4.4Å; Q94-F197 HydrophobicContact CB-CG 4.4Å; Q94-F197 PolarHBondContact OE1-O 2.74Å |
| 95 | L | 96 | Very high | 93.7 | Very high | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.016 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.6 | -48.8 | 174.3 | 173.1 | 62.7 | 0 | 0 | 0 | 110.6 | E81 L87 E91 L92 L97 F98 C99 F197 | E81-L95 HydrophobicContact CB-CD2 4.3Å; L87-L95 HydrophobicContact CD1-CD2 3.84Å; E91-L95 PolarHBondContact O-N 2.82Å; L92-L95 PolarHBondContact O-N 3.45Å; L95-L97 PolarHBondContact O-N 3.49Å; L95-F98 WeakPolarHBondContact O-CB 3.25Å; L95-F98 PolarHBondContact O-N 2.91Å; L95-C99 WeakPolarHBondContact O-CB 3.25Å; L95-C99 PolarHBondContact O-N 2.87Å; L95-C99 PolarHBondContact O-SG 2.95Å; L95-F197 HydrophobicContact CB-CD2 4.42Å; L95-F197 HydrophobicContact CB-CE1 4.25Å; L95-F197 HydrophobicContact CB-CE2 3.99Å; L95-F197 HydrophobicContact CB-CZ 3.91Å; L95-F197 HydrophobicContact CD1-CE2 3.68Å; L95-F197 HydrophobicContact CD1-CZ 3.53Å; L95-F197 HydrophobicContact CG-CE2 4.36Å; L95-F197 HydrophobicContact CG-CZ 4.33Å |
| 96 | R | 96.4 | Very high | 94.2 | Very high | 133 Ų | 133 | 70.7 Ų | 70.7 | 50% | 0.502 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 178.6 | -71 | 170.7 | 179.3 | 170.3 | -1.3 | 111.9 | E81 L92 A93 C99 A100 | E81-R96 IonicContact OE1-CZ 3.24Å; E81-R96 IonicContact OE1-NH2 3.6Å; E81-R96 PolarHBondContact OE1-NH2 2.86Å; E81-R96 IonicContact OE2-CZ 3Å; E81-R96 IonicContact OE2-NE 3.62Å; E81-R96 PolarHBondContact OE2-NE 2.83Å; E81-R96 IonicContact OE2-NH2 2.68Å; E81-R96 PolarHBondContact OE2-NH2 2.85Å; L92-R96 WeakPolarHBondContact O-CG 3.41Å; L92-R96 PolarHBondContact O-N 3.41Å; A93-R96 PolarHBondContact O-N 3.04Å; R96-C99 PolarHBondContact O-N 3.31Å; R96-A100 WeakPolarHBondContact O-CB 3.49Å; R96-A100 PolarHBondContact O-N 3.33Å |
| 97 | L | 97.1 | Very high | 95 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 177 | -180 | 60.9 | 0 | 0 | 0 | 111.5 | A93 Q94 L95 A100 Q101 | A93-L97 WeakPolarHBondContact O-CB 3.39Å; A93-L97 PolarHBondContact O-N 3.1Å; Q94-L97 PolarHBondContact O-N 3.21Å; L95-L97 PolarHBondContact O-N 3.49Å; L97-A100 PolarHBondContact O-N 3.05Å; L97-Q101 HydrophobicContact CD1-CG 4.15Å; L97-Q101 HydrophobicContact CG-CG 4.43Å; L97-Q101 WeakPolarHBondContact O-CB 3.35Å; L97-Q101 VanDerWaalsContact O-CG 3.28Å; L97-Q101 WeakPolarHBondContact O-CG 3.48Å; L97-Q101 PolarHBondContact O-N 2.79Å |
| 98 | F | 97.2 | Very high | 95.4 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 7% | 0.066 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 177.5 | 174.4 | -103 | 0 | 0 | 0 | 112 | Q94 L95 A100 Q101 R102 A182 L185 R186 L195 F197 | Q94-F98 WeakPolarHBondContact O-CB 3.38Å; Q94-F98 PolarHBondContact O-N 3.04Å; L95-F98 WeakPolarHBondContact O-CB 3.25Å; L95-F98 PolarHBondContact O-N 2.91Å; F98-A100 PolarHBondContact O-N 2.91Å; F98-Q101 PolarHBondContact O-N 3.48Å; F98-R102 HydrophobicContact CE2-CG 4.41Å; F98-R102 HydrophobicContact CZ-CG 4.45Å; F98-R102 VanDerWaalsContact O-CG 3.3Å; F98-R102 WeakPolarHBondContact O-CG 3.23Å; F98-R102 PolarHBondContact O-N 3.13Å; F98-A182 HydrophobicContact CE1-CB 4.28Å; F98-A182 HydrophobicContact CZ-CB 4.01Å; F98-L185 HydrophobicContact CE2-CB 3.7Å; F98-L185 HydrophobicContact CE2-CD1 3.94Å; F98-L185 HydrophobicContact CE2-CG 4.49Å; F98-L185 HydrophobicContact CZ-CB 4.36Å; F98-R186 HydrophobicContact CD2-CG 4.1Å; F98-R186 HydrophobicContact CE2-CB 4.34Å; F98-R186 HydrophobicContact CE2-CG 3.7Å; F98-R186 HydrophobicContact CZ-CB 4.4Å; F98-R186 HydrophobicContact CZ-CG 4.18Å; F98-L195 HydrophobicContact CD1-CD1 4.37Å; F98-L195 HydrophobicContact CE1-CD1 3.49Å; F98-L195 VanDerWaalsContact CE1-CD1 3.49Å; F98-L195 HydrophobicContact CZ-CD1 3.88Å; F98-F197 HydrophobicContact CB-CE1 3.87Å; F98-F197 HydrophobicContact CB-CZ 4.31Å; F98-F197 HydrophobicContact CD1-CE1 4.28Å; F98-F197 AromaticContact CD1-CZ 3.95Å; F98-F197 HydrophobicContact CD1-CZ 3.95Å; F98-F197 HydrophobicContact CE1-CZ 4.46Å; F98-F197 HydrophobicContact CG-CE1 4.05Å; F98-F197 HydrophobicContact CG-CZ 4.2Å |
| 99 | C | 96.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 176.1 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | D78 S79 L95 R96 Q101 R102 K103 | D78-C99 PolarHBondContact O-SG 3.13Å; S79-C99 VanDerWaalsContact CA-SG 3.58Å; L95-C99 WeakPolarHBondContact O-CB 3.25Å; L95-C99 PolarHBondContact O-N 2.87Å; L95-C99 PolarHBondContact O-SG 2.95Å; R96-C99 PolarHBondContact O-N 3.31Å; C99-Q101 PolarHBondContact O-N 2.84Å; C99-R102 PolarHBondContact O-N 3.43Å; C99-K103 WeakPolarHBondContact O-CB 3.48Å; C99-K103 VanDerWaalsContact O-CG 3.24Å; C99-K103 WeakPolarHBondContact O-CG 3.18Å; C99-K103 PolarHBondContact O-N 3.35Å |
| 100 | A | 97.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 44% | 0.438 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R96 L97 F98 R102 K103 Q104 | R96-A100 WeakPolarHBondContact O-CB 3.49Å; R96-A100 PolarHBondContact O-N 3.33Å; L97-A100 PolarHBondContact O-N 3.05Å; F98-A100 PolarHBondContact O-N 2.91Å; A100-R102 PolarHBondContact O-N 3.06Å; A100-K103 PolarHBondContact O-N 3.06Å; A100-Q104 WeakPolarHBondContact O-CB 3.36Å; A100-Q104 PolarHBondContact O-N 3.44Å |
| 101 | Q | 97.1 | Very high | 95.3 | Very high | 83 Ų | 83 | 60.2 Ų | 60.2 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 179.1 | -73.7 | 176.1 | -6.1 | 0 | 0 | 112.1 | L97 F98 C99 Q104 K105 | L97-Q101 HydrophobicContact CD1-CG 4.15Å; L97-Q101 HydrophobicContact CG-CG 4.43Å; L97-Q101 WeakPolarHBondContact O-CB 3.35Å; L97-Q101 VanDerWaalsContact O-CG 3.28Å; L97-Q101 WeakPolarHBondContact O-CG 3.48Å; L97-Q101 PolarHBondContact O-N 2.79Å; F98-Q101 PolarHBondContact O-N 3.48Å; C99-Q101 PolarHBondContact O-N 2.84Å; Q101-Q104 PolarHBondContact O-N 2.82Å; Q101-K105 WeakPolarHBondContact O-CB 3.24Å; Q101-K105 WeakPolarHBondContact O-CG 3.29Å; Q101-K105 PolarHBondContact O-N 3.16Å |
| 102 | R | 96.8 | Very high | 95.1 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 3% | 0.034 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 178.4 | -70.8 | 179 | 54.8 | -161.1 | 3.1 | 112.3 | F98 C99 A100 Q104 S106 L107 F169 G178 H181 A182 L185 | F98-R102 HydrophobicContact CE2-CG 4.41Å; F98-R102 HydrophobicContact CZ-CG 4.45Å; F98-R102 VanDerWaalsContact O-CG 3.3Å; F98-R102 WeakPolarHBondContact O-CG 3.23Å; F98-R102 PolarHBondContact O-N 3.13Å; C99-R102 PolarHBondContact O-N 3.43Å; A100-R102 PolarHBondContact O-N 3.06Å; R102-Q104 VanDerWaalsContact C-N 3.33Å; R102-S106 PolarHBondContact O-N 3.4Å; R102-L107 PolarHBondContact O-N 3.45Å; R102-F169 HydrophobicContact CB-CD1 4.34Å; R102-F169 HydrophobicContact CB-CE1 3.93Å; R102-G178 PolarHBondContact NH2-O 2.96Å; R102-H181 PolarHBondContact NE-ND1 3.24Å; R102-H181 VanDerWaalsContact NE-ND1 3.17Å; R102-A182 VanDerWaalsContact NH1-CB 3.34Å; R102-L185 HydrophobicContact CG-CD1 4.03Å |
| 103 | K | 95.4 | Very high | 94.9 | Very high | 112 Ų | 112 | 64.9 Ų | 64.9 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 175.2 | -72.2 | 176.4 | -179.5 | 178.6 | 0 | 111.3 | C99 A100 L107 R142 | C99-K103 WeakPolarHBondContact O-CB 3.48Å; C99-K103 VanDerWaalsContact O-CG 3.24Å; C99-K103 WeakPolarHBondContact O-CG 3.18Å; C99-K103 PolarHBondContact O-N 3.35Å; A100-K103 PolarHBondContact O-N 3.06Å; K103-L107 HydrophobicContact CB-CD2 4.28Å; K103-L107 HydrophobicContact CG-CD2 4.07Å; K103-L107 WeakPolarHBondContact O-CB 3.4Å; K103-R142 PolarHBondContact O-NH2 2.65Å |
| 104 | Q | 95.4 | Very high | 94.6 | Very high | 142 Ų | 142 | 66.7 Ų | 66.7 | 66% | 0.664 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -74 | -43.2 | -177.8 | -172.8 | -179.5 | 7.3 | 0 | 0 | 113.1 | A100 Q101 R102 R142 | A100-Q104 WeakPolarHBondContact O-CB 3.36Å; A100-Q104 PolarHBondContact O-N 3.44Å; Q101-Q104 PolarHBondContact O-N 2.82Å; R102-Q104 VanDerWaalsContact C-N 3.33Å; Q104-R142 VanDerWaalsContact O-CZ 3.23Å; Q104-R142 PolarHBondContact O-NH1 3.28Å; Q104-R142 PolarHBondContact O-NH2 2.99Å |
| 105 | K | 94.8 | Very high | 94 | Very high | 126 Ų | 126 | 64 Ų | 64 | 55% | 0.548 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -92.5 | -39.2 | -168.2 | -64 | -174.5 | 177.4 | -171 | 0 | 113.5 | Q101 R142 | Q101-K105 WeakPolarHBondContact O-CB 3.24Å; Q101-K105 WeakPolarHBondContact O-CG 3.29Å; Q101-K105 PolarHBondContact O-N 3.16Å; K105-R142 PolarHBondContact O-NH1 3.28Å; K105-R142 VanDerWaalsContact O-NH1 3.13Å |
| 106 | S | 95.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -26.4 | -165 | -51.6 | 0 | 0 | 0 | 0 | 113.9 | R102 F169 Y170 H181 | R102-S106 PolarHBondContact O-N 3.4Å; S106-F169 CarbonylContact O-C 3.55Å; S106-F169 WeakPolarHBondContact O-CA 3.23Å; S106-Y170 VanDerWaalsContact CB-O 3.3Å; S106-Y170 WeakPolarHBondContact CB-O 3.4Å; S106-Y170 PolarHBondContact O-N 3.04Å; S106-Y170 PolarHBondContact OG-O 3.28Å; S106-H181 VanDerWaalsContact CB-NE2 3.31Å; S106-H181 WeakPolarHBondContact CB-NE2 3.43Å; S106-H181 PolarHBondContact OG-NE2 3.49Å; S106-H181 VanDerWaalsContact OG-NE2 3.1Å |
| 107 | L | 95.9 | Very high | 91.8 | Very high | 42 Ų | 42 | 65.3 Ų | 65.3 | 22% | 0.22 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 133.9 | -174 | -176.4 | 76.7 | 0 | 0 | 0 | 112.5 | R102 K103 R142 I167 Y168 F169 | R102-L107 PolarHBondContact O-N 3.45Å; K103-L107 HydrophobicContact CB-CD2 4.28Å; K103-L107 HydrophobicContact CG-CD2 4.07Å; K103-L107 WeakPolarHBondContact O-CB 3.4Å; L107-R142 PolarHBondContact O-NE 2.97Å; L107-R142 PolarHBondContact O-NH2 2.83Å; L107-I167 HydrophobicContact CD1-CB 3.73Å; L107-I167 HydrophobicContact CD1-CD1 3.81Å; L107-I167 HydrophobicContact CD1-CG1 4.05Å; L107-I167 HydrophobicContact CD1-CG2 4.35Å; L107-Y168 WeakPolarHBondContact CA-O 3.42Å; L107-F169 HydrophobicContact CB-CD1 4.32Å; L107-F169 HydrophobicContact CB-CE1 4.08Å; L107-F169 HydrophobicContact CD1-CD1 4.32Å; L107-F169 HydrophobicContact CD1-CD2 4.45Å; L107-F169 HydrophobicContact CD1-CE1 3.75Å; L107-F169 HydrophobicContact CD1-CE2 3.89Å; L107-F169 HydrophobicContact CD1-CZ 3.52Å |
| 108 | G | 94.6 | Very high | 90.2 | Very high | 13 Ų | 13 | 70.3 Ų | 70.3 | 13% | 0.134 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 174.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I167 Y168 | G108-I167 WeakPolarHBondContact O-CA 3.24Å; G108-Y168 PolarHBondContact N-O 3.42Å; G108-Y168 WeakPolarHBondContact O-CD1 3.04Å; G108-Y168 PolarHBondContact O-N 3.42Å |
| 109 | Q | 92.8 | Very high | 88.5 | Confident | 134 Ų | 134 | 74.4 Ų | 74.4 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.1 | 175.2 | -172 | 176.9 | 8.3 | 0 | 0 | 109.5 | ||
| 110 | G | 90.9 | Very high | 87 | Confident | 12 Ų | 12 | 82.5 Ų | 82.5 | 12% | 0.124 | 42% | 0.423 | C | S | . | . | trans | -75.3 | 127.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 111 | V | 90.6 | Very high | 85.6 | Confident | 65 Ų | 65 | 82 Ų | 82 | 39% | 0.394 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 112.1 | 178.3 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | R113 F139 | V111-R113 HydrophobicContact CG1-CG 3.89Å; V111-F139 PolarHBondContact N-O 2.99Å; V111-F139 PolarHBondContact O-N 3.35Å |
| 112 | A | 91.4 | Very high | 85 | Confident | 49 Ų | 49 | 79.4 Ų | 79.4 | 41% | 0.405 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 125 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G137 | A112-G137 CarbonylContact C-O 3.57Å; A112-G137 WeakPolarHBondContact CA-O 3.3Å |
| 113 | R | 89.9 | Confident | 84.8 | Confident | 127 Ų | 127 | 82.3 Ų | 82.3 | 48% | 0.479 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142 | 177.9 | -56.3 | -179.8 | -168.3 | 164.5 | 2.6 | 109.6 | V111 Y136 G137 F139 | V111-R113 HydrophobicContact CG1-CG 3.89Å; R113-Y136 WeakPolarHBondContact O-CA 3.36Å; R113-G137 PolarHBondContact N-O 2.91Å; R113-G137 PolarHBondContact O-N 3.32Å; R113-F139 HydrophobicContact CB-CD2 3.97Å; R113-F139 HydrophobicContact CB-CE2 3.88Å; R113-F139 HydrophobicContact CG-CD2 4Å; R113-F139 HydrophobicContact CG-CE2 4.36Å |
| 114 | L | 89.5 | Confident | 84.7 | Confident | 94 Ų | 94 | 77 Ų | 77 | 49% | 0.492 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.6 | 170 | -173.7 | 69.8 | 0 | 0 | 0 | 108.8 | P116 G134 Y136 | L114-P116 WeakPolarHBondContact O-CD 3.19Å; L114-G134 WeakPolarHBondContact CD1-O 3.38Å; L114-Y136 HydrophobicContact CB-CD1 4.41Å; L114-Y136 HydrophobicContact CB-CE1 4.13Å; L114-Y136 HydrophobicContact CD1-CD2 3.96Å; L114-Y136 HydrophobicContact CD1-CE2 3.79Å; L114-Y136 HydrophobicContact CD1-CG 4.4Å |
| 115 | L | 84.1 | Confident | 84.7 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 121.1 | 176.9 | -66.5 | 178.2 | 0 | 0 | 0 | 110.6 | H122 L131 G134 E135 F139 | L115-H122 HydrophobicContact CD2-CB 4.41Å; L115-L131 HydrophobicContact CD1-CB 3.25Å; L115-L131 HydrophobicContact CD1-CD2 3.72Å; L115-L131 HydrophobicContact CD1-CG 4.09Å; L115-G134 WeakPolarHBondContact O-CA 3.33Å; L115-G134 PolarHBondContact O-N 3.49Å; L115-E135 WeakPolarHBondContact CB-O 3.34Å; L115-E135 HydrophobicContact CD1-CG 4.44Å; L115-E135 PolarHBondContact N-O 3.22Å; L115-F139 HydrophobicContact CD2-CE2 3.96Å; L115-F139 HydrophobicContact CD2-CZ 3.66Å |
| 116 | P | 76.6 | Confident | 84.6 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 140.3 | 177.8 | -27 | 35.1 | 0 | 0 | 0 | 112.4 | L114 K118 L119 | L114-P116 WeakPolarHBondContact O-CD 3.19Å; P116-K118 PolarHBondContact O-N 2.93Å; P116-L119 HydrophobicContact CB-CD1 3.98Å; P116-L119 HydrophobicContact CB-CG 4.25Å; P116-L119 HydrophobicContact CG-CD1 3.54Å; P116-L119 HydrophobicContact CG-CG 4.34Å; P116-L119 PolarHBondContact O-N 3.03Å |
| 117 | P | 69.5 | Low | 84.6 | Confident | 105 Ų | 105 | 74.4 Ų | 74.4 | 68% | 0.682 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -10.7 | 177.4 | -24.6 | 33.6 | 0 | 0 | 0 | 115.6 | ||
| 118 | K | 63.5 | Low | 84.6 | Confident | 206 Ų | 206 | 78.9 Ų | 78.9 | 90% | 0.896 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 1.4 | -169.1 | -62 | -176.4 | 179.5 | -179.4 | 0 | 114.4 | P116 | P116-K118 PolarHBondContact O-N 2.93Š|
| 119 | L | 60.5 | Low | 84.5 | Confident | 100 Ų | 100 | 85.2 Ų | 85.2 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -92.7 | 149.2 | -179.2 | -84.8 | 168.9 | 0 | 0 | 0 | 111.7 | P116 G121 | P116-L119 HydrophobicContact CB-CD1 3.98Å; P116-L119 HydrophobicContact CB-CG 4.25Å; P116-L119 HydrophobicContact CG-CD1 3.54Å; P116-L119 HydrophobicContact CG-CG 4.34Å; P116-L119 PolarHBondContact O-N 3.03Å; L119-G121 PolarHBondContact O-N 2.9Å |
| 120 | E | 65.4 | Low | 84.5 | Confident | 181 Ų | 181 | 83.9 Ų | 83.9 | 85% | 0.846 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 130.9 | 164.7 | -70.8 | 178 | 163.9 | 0 | 0 | 108.9 | H122 | E120-H122 PolarHBondContact O-N 3.01Å; E120-H122 PolarHBondContact O-ND1 2.9Å |
| 121 | G | 68.6 | Low | 84.5 | Confident | 42 Ų | 42 | 83.5 Ų | 83.5 | 43% | 0.433 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 132.8 | -170 | 0 | 0 | 0 | 0 | 0 | 111.6 | L119 | L119-G121 PolarHBondContact O-N 2.9Š|
| 122 | H | 83.2 | Confident | 84.3 | Confident | 29 Ų | 29 | 85.2 Ų | 85.2 | 13% | 0.134 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 134.6 | 175.6 | -69.3 | 55.7 | 0 | 0 | 0 | 109.5 | L115 E120 L130 L131 F139 C148 | L115-H122 HydrophobicContact CD2-CB 4.41Å; E120-H122 PolarHBondContact O-N 3.01Å; E120-H122 PolarHBondContact O-ND1 2.9Å; H122-L130 WeakPolarHBondContact O-CA 3.32Å; H122-L131 VanDerWaalsContact O-CD1 3.3Å; H122-L131 WeakPolarHBondContact O-CD1 3.31Å; H122-L131 PolarHBondContact O-N 3.4Å; H122-F139 AromaticContact CD2-CE1 3.41Å; H122-F139 VanDerWaalsContact CD2-CE1 3.41Å; H122-F139 WeakPolarHBondContact CD2-CE1 3.43Å; H122-F139 AromaticContact CD2-CZ 3.52Å; H122-F139 AromaticContact NE2-CE1 3.62Å; H122-F139 AromaticContact NE2-CZ 3.67Å; H122-C148 HydrophobicContact CB-CB 4.48Å; H122-C148 WeakPolarHBondContact CB-SG 3.41Å |
| 123 | T | 91.8 | Very high | 84 | Confident | 70 Ų | 70 | 86.8 Ų | 86.8 | 43% | 0.429 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -92.7 | 127.3 | 178.8 | -59 | 0 | 0 | 0 | 0 | 109.9 | E125 L130 C148 | T123-E125 PolarHBondContact O-N 3.02Å; T123-L130 WeakPolarHBondContact OG1-CD2 3.4Å; T123-C148 PolarHBondContact O-SG 2.97Å |
| 124 | C | 94.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | trans | -67.2 | 128.2 | 177.4 | 176 | 0 | 0 | 0 | 0 | 111.1 | K126 C127 K128 K129 L131 C148 H150 | C124-K126 VanDerWaalsContact C-N 3.31Å; C124-K126 PolarHBondContact O-N 3.04Å; C124-C127 VanDerWaalsContact SG-SG 3.63Å; C124-K128 WeakPolarHBondContact O-CA 3.41Å; C124-K128 PolarHBondContact O-N 3.38Å; C124-K129 VanDerWaalsContact CB-O 3.31Å; C124-K129 WeakPolarHBondContact CB-O 3.43Å; C124-K129 PolarHBondContact N-O 2.92Å; C124-L131 HydrophobicContact CB-CD1 3.67Å; C124-C148 CarbonylContact C-O 3.58Å; C124-C148 WeakPolarHBondContact CA-O 3.38Å; C124-H150 WeakPolarHBondContact CB-CE1 3.41Å; C124-H150 WeakPolarHBondContact CB-ND1 3.49Å; C124-H150 PolarHBondContact SG-ND1 3.24Å |
| 125 | E | 94.6 | Very high | 83.6 | Confident | 75 Ų | 75 | 80.8 Ų | 80.8 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.1 | -177.8 | -79.3 | -57.3 | 155.6 | 0 | 0 | 114.3 | T123 K128 C148 W149 | T123-E125 PolarHBondContact O-N 3.02Å; E125-K128 WeakPolarHBondContact O-CD 3.37Å; E125-K128 WeakPolarHBondContact O-CE 3.25Å; E125-K128 PolarHBondContact O-NZ 2.9Å; E125-K128 IonicContact OE2-NZ 2.8Å; E125-K128 PolarHBondContact OE2-NZ 3.48Å; E125-C148 PolarHBondContact N-O 3.17Å; E125-W149 HydrophobicContact CB-CD2 4.25Å; E125-W149 HydrophobicContact CB-CH2 4.28Å; E125-W149 HydrophobicContact CB-CZ2 3.54Å; E125-W149 HydrophobicContact CG-CH2 4.03Å; E125-W149 HydrophobicContact CG-CZ2 3.77Å |
| 126 | K | 94.5 | Very high | 83.9 | Confident | 102 Ų | 102 | 86.8 Ų | 86.8 | 44% | 0.443 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -54.2 | -178.9 | -175 | 174 | -178.6 | 174.8 | 0 | 113.2 | C124 C153 | C124-K126 VanDerWaalsContact C-N 3.31Å; C124-K126 PolarHBondContact O-N 3.04Å; K126-C153 HydrophobicContact CB-CB 3.91Å; K126-C153 HydrophobicContact CD-CB 3.98Å; K126-C153 WeakPolarHBondContact CD-O 3.4Å; K126-C153 HydrophobicContact CG-CB 4.45Å |
| 127 | C | 95.3 | Very high | 84.6 | Confident | 50 Ų | 50 | 83.9 Ų | 83.9 | 34% | 0.338 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -5.7 | -173.6 | 69.6 | 0 | 0 | 0 | 0 | 113.9 | C124 K129 H150 | C124-C127 VanDerWaalsContact SG-SG 3.63Å; C127-K129 PolarHBondContact O-N 3.16Å; C127-K129 VanDerWaalsContact O-N 3.09Å; C127-H150 PolarHBondContact SG-CE1 3.03Å; C127-H150 PolarHBondContact SG-ND1 3.43Å |
| 128 | K | 94.4 | Very high | 85.8 | Confident | 136 Ų | 136 | 78.9 Ų | 78.9 | 59% | 0.591 | 40% | 0.404 | S | S | * | . | trans | 58.1 | 18.9 | -178.9 | -51.4 | -56.3 | -173.7 | -173.3 | 0 | 114.5 | C124 E125 | C124-K128 WeakPolarHBondContact O-CA 3.41Å; C124-K128 PolarHBondContact O-N 3.38Å; E125-K128 WeakPolarHBondContact O-CD 3.37Å; E125-K128 WeakPolarHBondContact O-CE 3.25Å; E125-K128 PolarHBondContact O-NZ 2.9Å; E125-K128 IonicContact OE2-NZ 2.8Å; E125-K128 PolarHBondContact OE2-NZ 3.48Å | ||
| 129 | K | 93.4 | Very high | 87.3 | Confident | 145 Ų | 145 | 69.7 Ų | 69.7 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -95.8 | 150.3 | 172.9 | -59.2 | -179.9 | -176.5 | -179.8 | 0 | 110.3 | C124 C127 | C124-K129 VanDerWaalsContact CB-O 3.31Å; C124-K129 WeakPolarHBondContact CB-O 3.43Å; C124-K129 PolarHBondContact N-O 2.92Å; C127-K129 PolarHBondContact O-N 3.16Å; C127-K129 VanDerWaalsContact O-N 3.09Å |
| 130 | L | 91.4 | Very high | 88.8 | Confident | 107 Ų | 107 | 65 Ų | 65 | 56% | 0.56 | 34% | 0.339 | S | S | * | . | B | Isolated β-bridge | trans | -67.7 | 140.6 | 174.2 | -70 | 169.6 | 0 | 0 | 0 | 110.8 | H122 T123 | H122-L130 WeakPolarHBondContact O-CA 3.32Å; T123-L130 WeakPolarHBondContact OG1-CD2 3.4Å |
| 131 | L | 90.9 | Very high | 90 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 140.3 | 166.1 | -75 | 80.9 | 0 | 0 | 0 | 109.6 | L115 H122 C124 E135 G137 C148 | L115-L131 HydrophobicContact CD1-CB 3.25Å; L115-L131 HydrophobicContact CD1-CD2 3.72Å; L115-L131 HydrophobicContact CD1-CG 4.09Å; H122-L131 VanDerWaalsContact O-CD1 3.3Å; H122-L131 WeakPolarHBondContact O-CD1 3.31Å; H122-L131 PolarHBondContact O-N 3.4Å; C124-L131 HydrophobicContact CB-CD1 3.67Å; L131-E135 WeakPolarHBondContact CA-OE1 3.36Å; L131-E135 HydrophobicContact CB-CG 4.37Å; L131-E135 WeakPolarHBondContact CB-OE1 3.33Å; L131-E135 WeakPolarHBondContact CG-OE1 3.39Å; L131-G137 VanDerWaalsContact CD2-CA 3.47Å; L131-C148 WeakPolarHBondContact CD1-SG 3.3Å |
| 132 | N | 86.9 | Confident | 91.2 | Very high | 101 Ų | 101 | 63.2 Ų | 63.2 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 139.7 | 179.8 | -57.7 | -64.6 | 0 | 0 | 0 | 111.3 | G134 E135 | N132-G134 PolarHBondContact O-N 3.49Å; N132-E135 HydrophobicContact CB-CG 4.38Å; N132-E135 WeakPolarHBondContact CB-OE2 3.4Å; N132-E135 PolarHBondContact N-OE1 2.91Å; N132-E135 PolarHBondContact ND2-OE2 2.87Å; N132-E135 VanDerWaalsContact O-CG 3.25Å; N132-E135 WeakPolarHBondContact O-CG 3.48Å; N132-E135 PolarHBondContact O-N 3.02Å; N132-E135 VanDerWaalsContact O-N 3.13Å |
| 133 | P | 85 | Confident | 91.6 | Very high | 83 Ų | 83 | 62.6 Ų | 62.6 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 134.7 | 170.5 | -20.9 | 31.5 | 0 | 0 | 0 | 110.9 | ||
| 134 | G | 83.2 | Confident | 91.5 | Very high | 43 Ų | 43 | 60.6 Ų | 60.6 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 0.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | L114 L115 N132 | L114-G134 WeakPolarHBondContact CD1-O 3.38Å; L115-G134 WeakPolarHBondContact O-CA 3.33Å; L115-G134 PolarHBondContact O-N 3.49Å; N132-G134 PolarHBondContact O-N 3.49Å |
| 135 | E | 88.4 | Confident | 91 | Very high | 52 Ų | 52 | 68.2 Ų | 68.2 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -94.7 | 164 | 170.6 | 91.3 | -170.3 | 178.4 | 0 | 0 | 112.4 | L115 L131 N132 H150 | L115-E135 WeakPolarHBondContact CB-O 3.34Å; L115-E135 HydrophobicContact CD1-CG 4.44Å; L115-E135 PolarHBondContact N-O 3.22Å; L131-E135 WeakPolarHBondContact CA-OE1 3.36Å; L131-E135 HydrophobicContact CB-CG 4.37Å; L131-E135 WeakPolarHBondContact CB-OE1 3.33Å; L131-E135 WeakPolarHBondContact CG-OE1 3.39Å; N132-E135 HydrophobicContact CB-CG 4.38Å; N132-E135 WeakPolarHBondContact CB-OE2 3.4Å; N132-E135 PolarHBondContact N-OE1 2.91Å; N132-E135 PolarHBondContact ND2-OE2 2.87Å; N132-E135 VanDerWaalsContact O-CG 3.25Å; N132-E135 WeakPolarHBondContact O-CG 3.48Å; N132-E135 PolarHBondContact O-N 3.02Å; N132-E135 VanDerWaalsContact O-N 3.13Å; E135-H150 IonicContact OE1-CD2 3.5Å; E135-H150 PolarHBondContact OE1-CD2 2.85Å; E135-H150 IonicContact OE1-NE2 3.76Å |
| 136 | Y | 90.4 | Very high | 90.5 | Very high | 132 Ų | 132 | 71.2 Ų | 71.2 | 52% | 0.518 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.7 | 176 | -76.6 | -93.7 | 0 | 0 | 0 | 111.3 | R113 L114 | R113-Y136 WeakPolarHBondContact O-CA 3.36Å; L114-Y136 HydrophobicContact CB-CD1 4.41Å; L114-Y136 HydrophobicContact CB-CE1 4.13Å; L114-Y136 HydrophobicContact CD1-CD2 3.96Å; L114-Y136 HydrophobicContact CD1-CE2 3.79Å; L114-Y136 HydrophobicContact CD1-CG 4.4Å |
| 137 | G | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 149.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A112 R113 L131 | A112-G137 CarbonylContact C-O 3.57Å; A112-G137 WeakPolarHBondContact CA-O 3.3Å; R113-G137 PolarHBondContact N-O 2.91Å; R113-G137 PolarHBondContact O-N 3.32Å; L131-G137 VanDerWaalsContact CD2-CA 3.47Å |
| 138 | V | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.3 | 171.4 | -172.8 | 0 | 0 | 0 | 0 | 108.4 | C148 W149 R151 F154 I164 | V138-C148 CarbonylContact O-C 3.52Å; V138-C148 VanDerWaalsContact O-CA 3.29Å; V138-C148 WeakPolarHBondContact O-CA 3.24Å; V138-W149 PolarHBondContact N-O 2.75Å; V138-W149 PolarHBondContact O-N 3Å; V138-R151 HydrophobicContact CG2-CG 4.33Å; V138-F154 HydrophobicContact CB-CB 4.11Å; V138-F154 HydrophobicContact CB-CD2 4Å; V138-F154 HydrophobicContact CB-CG 3.96Å; V138-F154 HydrophobicContact CG1-CB 4.31Å; V138-F154 HydrophobicContact CG1-CD1 3.85Å; V138-F154 HydrophobicContact CG1-CD2 3.68Å; V138-F154 HydrophobicContact CG1-CE1 4.04Å; V138-F154 HydrophobicContact CG1-CE2 3.89Å; V138-F154 HydrophobicContact CG1-CG 3.65Å; V138-F154 HydrophobicContact CG1-CZ 4.06Å; V138-F154 HydrophobicContact CG2-CB 4.18Å; V138-F154 HydrophobicContact CG2-CG 4.41Å; V138-I164 HydrophobicContact CG2-CD1 3.67Å; V138-I164 HydrophobicContact CG2-CG1 4.01Å |
| 139 | F | 93.1 | Very high | 90.3 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 140.4 | 179.7 | -69 | -100.5 | 0 | 0 | 0 | 110.4 | V111 R113 L115 H122 C148 | V111-F139 PolarHBondContact N-O 2.99Å; V111-F139 PolarHBondContact O-N 3.35Å; R113-F139 HydrophobicContact CB-CD2 3.97Å; R113-F139 HydrophobicContact CB-CE2 3.88Å; R113-F139 HydrophobicContact CG-CD2 4Å; R113-F139 HydrophobicContact CG-CE2 4.36Å; L115-F139 HydrophobicContact CD2-CE2 3.96Å; L115-F139 HydrophobicContact CD2-CZ 3.66Å; H122-F139 AromaticContact CD2-CE1 3.41Å; H122-F139 VanDerWaalsContact CD2-CE1 3.41Å; H122-F139 WeakPolarHBondContact CD2-CE1 3.43Å; H122-F139 AromaticContact CD2-CZ 3.52Å; H122-F139 AromaticContact NE2-CE1 3.62Å; H122-F139 AromaticContact NE2-CZ 3.67Å; F139-C148 HydrophobicContact CD1-CB 3.98Å; F139-C148 HydrophobicContact CE1-CB 3.82Å; F139-C148 HydrophobicContact CE2-CB 4.5Å; F139-C148 HydrophobicContact CG-CB 4.42Å; F139-C148 HydrophobicContact CZ-CB 4.09Å |
| 140 | A | 93.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | trans | -130.7 | 100.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | R142 A143 S147 W149 F154 Y168 | A140-R142 PolarHBondContact O-N 3.47Å; A140-R142 VanDerWaalsContact O-N 3.11Å; A140-A143 HydrophobicContact CB-CB 4.35Å; A140-A143 WeakPolarHBondContact O-CB 3.28Å; A140-A143 PolarHBondContact O-N 3.28Å; A140-S147 PolarHBondContact N-O 3.15Å; A140-W149 HydrophobicContact CB-CE3 4.21Å; A140-W149 HydrophobicContact CB-CH2 3.92Å; A140-W149 HydrophobicContact CB-CZ3 3.47Å; A140-W149 VanDerWaalsContact CB-CZ3 3.47Å; A140-F154 HydrophobicContact CB-CE2 3.85Å; A140-F154 HydrophobicContact CB-CZ 4.23Å; A140-Y168 WeakPolarHBondContact CA-OH 3.43Å; A140-Y168 HydrophobicContact CB-CE1 3.82Å; A140-Y168 HydrophobicContact CB-CE2 4.15Å; A140-Y168 VanDerWaalsContact CB-CZ 3.47Å; A140-Y168 VanDerWaalsContact CB-OH 3.23Å; A140-Y168 WeakPolarHBondContact CB-OH 3.43Å | ||
| 141 | A | 91 | Very high | 90.4 | Very high | 80 Ų | 80 | 55.9 Ų | 55.9 | 66% | 0.661 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -55.6 | -33.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A143 G144 | A141-A143 PolarHBondContact O-N 3.08Å; A141-G144 PolarHBondContact O-N 2.93Å |
| 142 | R | 92.4 | Very high | 90.5 | Very high | 106 Ų | 106 | 60.1 Ų | 60.1 | 40% | 0.4 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -64.3 | -26.1 | 177.6 | -72.2 | -65.6 | -173.2 | 162.1 | -0.5 | 113.9 | K103 Q104 K105 L107 A140 Y168 Y170 | K103-R142 PolarHBondContact O-NH2 2.65Å; Q104-R142 VanDerWaalsContact O-CZ 3.23Å; Q104-R142 PolarHBondContact O-NH1 3.28Å; Q104-R142 PolarHBondContact O-NH2 2.99Å; K105-R142 PolarHBondContact O-NH1 3.28Å; K105-R142 VanDerWaalsContact O-NH1 3.13Å; L107-R142 PolarHBondContact O-NE 2.97Å; L107-R142 PolarHBondContact O-NH2 2.83Å; A140-R142 PolarHBondContact O-N 3.47Å; A140-R142 VanDerWaalsContact O-N 3.11Å; R142-Y168 HydrophobicContact CB-CE2 3.99Å; R142-Y168 HydrophobicContact CG-CE2 4.32Å; R142-Y168 PolarHBondContact N-OH 3.4Å; R142-Y170 HydrophobicContact CB-CD1 4.49Å; R142-Y170 HydrophobicContact CB-CG 4.42Å; R142-Y170 WeakPolarHBondContact O-CD1 3.36Å |
| 143 | A | 91.7 | Very high | 91 | Very high | 16 Ų | 16 | 56.3 Ų | 56.3 | 13% | 0.132 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -93.2 | 0.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A140 A141 S147 W149 Y170 | A140-A143 HydrophobicContact CB-CB 4.35Å; A140-A143 WeakPolarHBondContact O-CB 3.28Å; A140-A143 PolarHBondContact O-N 3.28Å; A141-A143 PolarHBondContact O-N 3.08Å; A143-S147 WeakPolarHBondContact O-CB 3.44Å; A143-S147 PolarHBondContact O-OG 2.79Å; A143-W149 HydrophobicContact CB-CH2 3.45Å; A143-W149 VanDerWaalsContact CB-CH2 3.45Å; A143-W149 HydrophobicContact CB-CZ2 4.13Å; A143-W149 HydrophobicContact CB-CZ3 4.41Å; A143-Y170 HydrophobicContact CB-CD1 4.34Å; A143-Y170 HydrophobicContact CB-CD2 3.78Å; A143-Y170 HydrophobicContact CB-CE1 4.03Å; A143-Y170 HydrophobicContact CB-CE2 3.41Å; A143-Y170 VanDerWaalsContact CB-CE2 3.41Å; A143-Y170 HydrophobicContact CB-CG 4.21Å |
| 144 | G | 90.3 | Very high | 91.5 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | trans | 118.3 | 146.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A141 Q146 S147 | A141-G144 PolarHBondContact O-N 2.93Å; G144-Q146 PolarHBondContact O-N 2.92Å; G144-S147 WeakPolarHBondContact O-CB 3.36Å; G144-S147 PolarHBondContact O-N 3.06Å; G144-S147 VanDerWaalsContact O-N 3.16Å | ||
| 145 | E | 83.4 | Confident | 92.2 | Very high | 160 Ų | 160 | 50.7 Ų | 50.7 | 75% | 0.748 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -29.9 | -175.2 | -67.7 | -178.3 | 173.1 | 0 | 0 | 113.8 | ||
| 146 | Q | 83.4 | Confident | 92.6 | Very high | 138 Ų | 138 | 48.2 Ų | 48.2 | 65% | 0.645 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -3.3 | -179.6 | -57.3 | -57.3 | -40.5 | 0 | 0 | 112.8 | G144 C148 | G144-Q146 PolarHBondContact O-N 2.92Å; Q146-C148 PolarHBondContact O-N 3Å |
| 147 | S | 91.9 | Very high | 93 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | trans | -72.4 | 126.4 | -177.2 | -56 | 0 | 0 | 0 | 0 | 109.5 | A140 A143 G144 W149 | A140-S147 PolarHBondContact N-O 3.15Å; A143-S147 WeakPolarHBondContact O-CB 3.44Å; A143-S147 PolarHBondContact O-OG 2.79Å; G144-S147 WeakPolarHBondContact O-CB 3.36Å; G144-S147 PolarHBondContact O-N 3.06Å; G144-S147 VanDerWaalsContact O-N 3.16Å; S147-W149 VanDerWaalsContact O-CZ3 3.24Å; S147-W149 WeakPolarHBondContact O-CZ3 3.42Å | ||
| 148 | C | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 157.6 | -174.1 | 82.4 | 0 | 0 | 0 | 0 | 112.5 | H122 T123 C124 E125 L131 V138 F139 Q146 | H122-C148 HydrophobicContact CB-CB 4.48Å; H122-C148 WeakPolarHBondContact CB-SG 3.41Å; T123-C148 PolarHBondContact O-SG 2.97Å; C124-C148 CarbonylContact C-O 3.58Å; C124-C148 WeakPolarHBondContact CA-O 3.38Å; E125-C148 PolarHBondContact N-O 3.17Å; L131-C148 WeakPolarHBondContact CD1-SG 3.3Å; V138-C148 CarbonylContact O-C 3.52Å; V138-C148 VanDerWaalsContact O-CA 3.29Å; V138-C148 WeakPolarHBondContact O-CA 3.24Å; F139-C148 HydrophobicContact CD1-CB 3.98Å; F139-C148 HydrophobicContact CE1-CB 3.82Å; F139-C148 HydrophobicContact CE2-CB 4.5Å; F139-C148 HydrophobicContact CG-CB 4.42Å; F139-C148 HydrophobicContact CZ-CB 4.09Å; Q146-C148 PolarHBondContact O-N 3Å |
| 149 | W | 95.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 52 Ų | 52 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.3 | 176.6 | -64.2 | -105.5 | 0 | 0 | 0 | 109.9 | E125 V138 A140 A143 S147 C153 F154 L175 | E125-W149 HydrophobicContact CB-CD2 4.25Å; E125-W149 HydrophobicContact CB-CH2 4.28Å; E125-W149 HydrophobicContact CB-CZ2 3.54Å; E125-W149 HydrophobicContact CG-CH2 4.03Å; E125-W149 HydrophobicContact CG-CZ2 3.77Å; V138-W149 PolarHBondContact N-O 2.75Å; V138-W149 PolarHBondContact O-N 3Å; A140-W149 HydrophobicContact CB-CE3 4.21Å; A140-W149 HydrophobicContact CB-CH2 3.92Å; A140-W149 HydrophobicContact CB-CZ3 3.47Å; A140-W149 VanDerWaalsContact CB-CZ3 3.47Å; A143-W149 HydrophobicContact CB-CH2 3.45Å; A143-W149 VanDerWaalsContact CB-CH2 3.45Å; A143-W149 HydrophobicContact CB-CZ2 4.13Å; A143-W149 HydrophobicContact CB-CZ3 4.41Å; S147-W149 VanDerWaalsContact O-CZ3 3.24Å; S147-W149 WeakPolarHBondContact O-CZ3 3.42Å; W149-C153 HydrophobicContact CB-CB 4.15Å; W149-F154 HydrophobicContact CB-CB 3.97Å; W149-F154 HydrophobicContact CB-CD2 3.89Å; W149-F154 HydrophobicContact CB-CG 4.46Å; W149-F154 AromaticContact CD2-CD2 3.71Å; W149-F154 HydrophobicContact CD2-CD2 3.71Å; W149-F154 HydrophobicContact CD2-CE2 4.11Å; W149-F154 AromaticContact CE3-CD2 3.75Å; W149-F154 HydrophobicContact CE3-CD2 3.75Å; W149-F154 AromaticContact CE3-CE2 3.83Å; W149-F154 HydrophobicContact CE3-CE2 3.83Å; W149-F154 HydrophobicContact CG-CB 4.48Å; W149-F154 AromaticContact CG-CD2 3.77Å; W149-F154 HydrophobicContact CG-CD2 3.77Å; W149-F154 HydrophobicContact CZ3-CE2 4.37Å; W149-L175 HydrophobicContact CD2-CD1 4.15Å; W149-L175 HydrophobicContact CG-CD1 4.47Å; W149-L175 HydrophobicContact CZ2-CD1 4.16Å |
| 150 | H | 94.9 | Very high | 93.4 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 18% | 0.181 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 150.6 | 156.4 | -58.3 | 100.5 | 0 | 0 | 0 | 109.5 | C124 C127 E135 A152 C153 F154 | C124-H150 WeakPolarHBondContact CB-CE1 3.41Å; C124-H150 WeakPolarHBondContact CB-ND1 3.49Å; C124-H150 PolarHBondContact SG-ND1 3.24Å; C127-H150 PolarHBondContact SG-CE1 3.03Å; C127-H150 PolarHBondContact SG-ND1 3.43Å; E135-H150 IonicContact OE1-CD2 3.5Å; E135-H150 PolarHBondContact OE1-CD2 2.85Å; E135-H150 IonicContact OE1-NE2 3.76Å; H150-A152 VanDerWaalsContact C-N 3.27Å; H150-A152 PolarHBondContact O-N 2.68Å; H150-C153 HydrophobicContact CB-CB 3.94Å; H150-C153 CarbonylContact O-C 3.57Å; H150-C153 WeakPolarHBondContact O-CA 3.28Å; H150-C153 WeakPolarHBondContact O-CB 3.28Å; H150-C153 PolarHBondContact O-N 2.86Å; H150-F154 PolarHBondContact O-N 2.95Å |
| 151 | R | 92.8 | Very high | 93.4 | Very high | 150 Ų | 150 | 55.8 Ų | 55.8 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -50.9 | -46 | 177.9 | -62 | 176.5 | 68.1 | -153.2 | 1.7 | 112.7 | V138 C153 F154 I164 | V138-R151 HydrophobicContact CG2-CG 4.33Å; R151-C153 VanDerWaalsContact C-N 3.31Å; R151-C153 PolarHBondContact O-N 2.71Å; R151-F154 PolarHBondContact O-N 2.83Å; R151-I164 HydrophobicContact CB-CD1 4Å; R151-I164 HydrophobicContact CG-CD1 3.93Å |
| 152 | A | 93.5 | Very high | 93.6 | Very high | 91 Ų | 91 | 54.5 Ų | 54.5 | 75% | 0.752 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -73.4 | -21.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H150 | H150-A152 VanDerWaalsContact C-N 3.27Å; H150-A152 PolarHBondContact O-N 2.68Å |
| 153 | C | 96.1 | Very high | 93.7 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -81.8 | -20.9 | 176.6 | -74.8 | 0 | 0 | 0 | 0 | 112.6 | K126 W149 H150 R151 A155 | K126-C153 HydrophobicContact CB-CB 3.91Å; K126-C153 HydrophobicContact CD-CB 3.98Å; K126-C153 WeakPolarHBondContact CD-O 3.4Å; K126-C153 HydrophobicContact CG-CB 4.45Å; W149-C153 HydrophobicContact CB-CB 4.15Å; H150-C153 HydrophobicContact CB-CB 3.94Å; H150-C153 CarbonylContact O-C 3.57Å; H150-C153 WeakPolarHBondContact O-CA 3.28Å; H150-C153 WeakPolarHBondContact O-CB 3.28Å; H150-C153 PolarHBondContact O-N 2.86Å; R151-C153 VanDerWaalsContact C-N 3.31Å; R151-C153 PolarHBondContact O-N 2.71Å; C153-A155 VanDerWaalsContact C-N 3.27Å; C153-A155 PolarHBondContact O-N 3.23Å |
| 154 | F | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -78.8 | 76.3 | 178 | -159.4 | -97.4 | 0 | 0 | 0 | 111 | V138 A140 W149 H150 R151 L163 Y168 L175 | V138-F154 HydrophobicContact CB-CB 4.11Å; V138-F154 HydrophobicContact CB-CD2 4Å; V138-F154 HydrophobicContact CB-CG 3.96Å; V138-F154 HydrophobicContact CG1-CB 4.31Å; V138-F154 HydrophobicContact CG1-CD1 3.85Å; V138-F154 HydrophobicContact CG1-CD2 3.68Å; V138-F154 HydrophobicContact CG1-CE1 4.04Å; V138-F154 HydrophobicContact CG1-CE2 3.89Å; V138-F154 HydrophobicContact CG1-CG 3.65Å; V138-F154 HydrophobicContact CG1-CZ 4.06Å; V138-F154 HydrophobicContact CG2-CB 4.18Å; V138-F154 HydrophobicContact CG2-CG 4.41Å; A140-F154 HydrophobicContact CB-CE2 3.85Å; A140-F154 HydrophobicContact CB-CZ 4.23Å; W149-F154 HydrophobicContact CB-CB 3.97Å; W149-F154 HydrophobicContact CB-CD2 3.89Å; W149-F154 HydrophobicContact CB-CG 4.46Å; W149-F154 AromaticContact CD2-CD2 3.71Å; W149-F154 HydrophobicContact CD2-CD2 3.71Å; W149-F154 HydrophobicContact CD2-CE2 4.11Å; W149-F154 AromaticContact CE3-CD2 3.75Å; W149-F154 HydrophobicContact CE3-CD2 3.75Å; W149-F154 AromaticContact CE3-CE2 3.83Å; W149-F154 HydrophobicContact CE3-CE2 3.83Å; W149-F154 HydrophobicContact CG-CB 4.48Å; W149-F154 AromaticContact CG-CD2 3.77Å; W149-F154 HydrophobicContact CG-CD2 3.77Å; W149-F154 HydrophobicContact CZ3-CE2 4.37Å; H150-F154 PolarHBondContact O-N 2.95Å; R151-F154 PolarHBondContact O-N 2.83Å; F154-L163 HydrophobicContact CD1-CB 3.82Å; F154-L163 HydrophobicContact CE1-CB 3.79Å; F154-L163 PolarHBondContact O-N 3.21Å; F154-Y168 HydrophobicContact CE1-CD1 4Å; F154-Y168 HydrophobicContact CE1-CG 4.46Å; F154-Y168 AromaticContact CZ-CD1 3.48Å; F154-Y168 HydrophobicContact CZ-CD1 3.48Å; F154-Y168 VanDerWaalsContact CZ-CD1 3.48Å; F154-Y168 AromaticContact CZ-CE1 3.82Å; F154-Y168 HydrophobicContact CZ-CE1 3.82Å; F154-Y168 AromaticContact CZ-CG 3.96Å; F154-Y168 HydrophobicContact CZ-CG 3.96Å; F154-L175 HydrophobicContact CD2-CD1 3.49Å; F154-L175 VanDerWaalsContact CD2-CD1 3.49Å; F154-L175 HydrophobicContact CE2-CD1 3.4Å; F154-L175 HydrophobicContact CE2-CD2 4.11Å; F154-L175 HydrophobicContact CE2-CG 4.42Å; F154-L175 HydrophobicContact CG-CD1 4.21Å; F154-L175 HydrophobicContact CZ-CD1 4.05Å; F154-L175 HydrophobicContact CZ-CD2 4.28Å | ||
| 155 | A | 97 | Very high | 93.1 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -140.4 | 155.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | C153 Q157 G160 Q161 | C153-A155 VanDerWaalsContact C-N 3.27Å; C153-A155 PolarHBondContact O-N 3.23Å; A155-Q157 PolarHBondContact O-N 2.92Å; A155-G160 WeakPolarHBondContact CB-O 3.49Å; A155-Q161 CarbonylContact C-O 3.48Å; A155-Q161 VanDerWaalsContact CA-O 3.25Å; A155-Q161 WeakPolarHBondContact CA-O 3.36Å; A155-Q161 WeakPolarHBondContact CB-O 3.49Å |
| 156 | C | 97.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | trans | -61.8 | 133.5 | 176 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | A158 G160 Q161 L163 L175 C177 | C156-A158 VanDerWaalsContact C-N 3.27Å; C156-A158 PolarHBondContact O-N 3.03Å; C156-A158 PolarHBondContact SG-N 3.25Å; C156-G160 WeakPolarHBondContact O-CA 3.37Å; C156-G160 PolarHBondContact O-N 3.02Å; C156-Q161 PolarHBondContact N-O 3.45Å; C156-L163 HydrophobicContact CB-CD1 4.12Å; C156-L163 HydrophobicContact CB-CD2 4.33Å; C156-L163 HydrophobicContact CB-CG 4.33Å; C156-L175 CarbonylContact C-O 3.54Å; C156-L175 WeakPolarHBondContact CA-O 3.32Å; C156-C177 HydrophobicContact CB-CB 4.36Å; C156-C177 PolarHBondContact SG-N 2.95Å; C156-C177 VanDerWaalsContact SG-N 3.42Å | ||
| 157 | Q | 97.6 | Very high | 93.7 | Very high | 103 Ų | 103 | 46 Ų | 46 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -33.1 | 178.6 | -177.6 | 60 | 29.2 | 0 | 0 | 112.7 | A155 H174 L175 Y176 | A155-Q157 PolarHBondContact O-N 2.92Å; Q157-H174 HydrophobicContact CB-CB 4.22Å; Q157-H174 HydrophobicContact CG-CB 4.35Å; Q157-L175 PolarHBondContact N-O 3.03Å; Q157-Y176 HydrophobicContact CB-CD1 4.37Å; Q157-Y176 HydrophobicContact CB-CE1 3.9Å; Q157-Y176 HydrophobicContact CG-CE1 4.47Å |
| 158 | A | 97.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -49.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C156 H180 | C156-A158 VanDerWaalsContact C-N 3.27Å; C156-A158 PolarHBondContact O-N 3.03Å; C156-A158 PolarHBondContact SG-N 3.25Å; A158-H180 HydrophobicContact CB-CB 3.86Å; A158-H180 VanDerWaalsContact CB-CG 3.46Å |
| 159 | C | 96 | Very high | 94.1 | Very high | 46 Ų | 46 | 45.7 Ų | 45.7 | 31% | 0.311 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -7.9 | -178.6 | 59.5 | 0 | 0 | 0 | 0 | 115.5 | Q161 H180 | C159-Q161 HydrophobicContact CB-CG 4.36Å; C159-Q161 PolarHBondContact O-N 3.27Å; C159-Q161 PolarHBondContact SG-OE1 2.83Å; C159-H180 WeakPolarHBondContact CB-CE1 3.45Å; C159-H180 VanDerWaalsContact SG-CE1 3.54Å |
| 160 | G | 95.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 48 Ų | 48 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | trans | 69.6 | -1.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A155 C156 | A155-G160 WeakPolarHBondContact CB-O 3.49Å; C156-G160 WeakPolarHBondContact O-CA 3.37Å; C156-G160 PolarHBondContact O-N 3.02Å | ||
| 161 | Q | 94.5 | Very high | 94.3 | Very high | 43 Ų | 43 | 48.6 Ų | 48.6 | 20% | 0.201 | 28% | 0.282 | C | S | . | . | trans | -66.7 | 141.4 | 177.3 | -68.7 | 174.7 | -33.4 | 0 | 0 | 110.9 | A155 C156 C159 | A155-Q161 CarbonylContact C-O 3.48Å; A155-Q161 VanDerWaalsContact CA-O 3.25Å; A155-Q161 WeakPolarHBondContact CA-O 3.36Å; A155-Q161 WeakPolarHBondContact CB-O 3.49Å; C156-Q161 PolarHBondContact N-O 3.45Å; C159-Q161 HydrophobicContact CB-CG 4.36Å; C159-Q161 PolarHBondContact O-N 3.27Å; C159-Q161 PolarHBondContact SG-OE1 2.83Å | ||
| 162 | A | 94 | Very high | 94.4 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 44% | 0.438 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -61 | 141.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q73 I164 | Q73-A162 PolarHBondContact NE2-O 3.41Å; A162-I164 HydrophobicContact CB-CG2 4.25Å |
| 163 | L | 95.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | trans | -112.5 | 5.1 | 176 | -62 | 174.7 | 0 | 0 | 0 | 111.7 | F154 C156 N165 L166 L175 C177 | F154-L163 HydrophobicContact CD1-CB 3.82Å; F154-L163 HydrophobicContact CE1-CB 3.79Å; F154-L163 PolarHBondContact O-N 3.21Å; C156-L163 HydrophobicContact CB-CD1 4.12Å; C156-L163 HydrophobicContact CB-CD2 4.33Å; C156-L163 HydrophobicContact CB-CG 4.33Å; L163-N165 PolarHBondContact O-N 3.42Å; L163-L166 PolarHBondContact O-N 3.05Å; L163-L166 VanDerWaalsContact O-N 3.16Å; L163-L175 HydrophobicContact CD1-CB 4.06Å; L163-C177 HydrophobicContact CD2-CB 3.78Å | ||
| 164 | I | 87.6 | Confident | 94.4 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 136.7 | 177.5 | -165.1 | 168.4 | 0 | 0 | 0 | 109.2 | V138 R151 A162 L166 | V138-I164 HydrophobicContact CG2-CD1 3.67Å; V138-I164 HydrophobicContact CG2-CG1 4.01Å; R151-I164 HydrophobicContact CB-CD1 4Å; R151-I164 HydrophobicContact CG-CD1 3.93Å; A162-I164 HydrophobicContact CB-CG2 4.25Å; I164-L166 PolarHBondContact O-N 2.86Å |
| 165 | N | 82.5 | Confident | 94.4 | Very high | 126 Ų | 126 | 47.8 Ų | 47.8 | 67% | 0.674 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 2.9 | -175.1 | -47.4 | -39.6 | 0 | 0 | 0 | 115.9 | L163 | L163-N165 PolarHBondContact O-N 3.42Š|
| 166 | L | 84.8 | Confident | 94.5 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -113.2 | 168.9 | 175.8 | -59.4 | 179.7 | 0 | 0 | 0 | 110.9 | L70 L163 I164 | L70-L166 HydrophobicContact CD1-CD1 4.28Å; L70-L166 HydrophobicContact CD1-CD2 3.7Å; L163-L166 PolarHBondContact O-N 3.05Å; L163-L166 VanDerWaalsContact O-N 3.16Å; I164-L166 PolarHBondContact O-N 2.86Å |
| 167 | I | 93.4 | Very high | 94.5 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 34% | 0.344 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 143.3 | 164.4 | 65.1 | -177.6 | 0 | 0 | 0 | 109.7 | L74 L107 G108 F169 | L74-I167 HydrophobicContact CD1-CD1 3.96Å; L74-I167 HydrophobicContact CD1-CG1 3.75Å; L74-I167 HydrophobicContact CD2-CD1 3.84Å; L74-I167 HydrophobicContact CD2-CG1 3.73Å; L74-I167 HydrophobicContact CG-CG1 4.42Å; L107-I167 HydrophobicContact CD1-CB 3.73Å; L107-I167 HydrophobicContact CD1-CD1 3.81Å; L107-I167 HydrophobicContact CD1-CG1 4.05Å; L107-I167 HydrophobicContact CD1-CG2 4.35Å; G108-I167 WeakPolarHBondContact O-CA 3.24Å; I167-F169 HydrophobicContact CD1-CE2 4.49Å |
| 168 | Y | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 163.2 | 173.9 | 68.9 | -93.5 | 0 | 0 | 0 | 109.9 | L107 G108 A140 R142 F154 L175 | L107-Y168 WeakPolarHBondContact CA-O 3.42Å; G108-Y168 PolarHBondContact N-O 3.42Å; G108-Y168 WeakPolarHBondContact O-CD1 3.04Å; G108-Y168 PolarHBondContact O-N 3.42Å; A140-Y168 WeakPolarHBondContact CA-OH 3.43Å; A140-Y168 HydrophobicContact CB-CE1 3.82Å; A140-Y168 HydrophobicContact CB-CE2 4.15Å; A140-Y168 VanDerWaalsContact CB-CZ 3.47Å; A140-Y168 VanDerWaalsContact CB-OH 3.23Å; A140-Y168 WeakPolarHBondContact CB-OH 3.43Å; R142-Y168 HydrophobicContact CB-CE2 3.99Å; R142-Y168 HydrophobicContact CG-CE2 4.32Å; R142-Y168 PolarHBondContact N-OH 3.4Å; F154-Y168 HydrophobicContact CE1-CD1 4Å; F154-Y168 HydrophobicContact CE1-CG 4.46Å; F154-Y168 AromaticContact CZ-CD1 3.48Å; F154-Y168 HydrophobicContact CZ-CD1 3.48Å; F154-Y168 VanDerWaalsContact CZ-CD1 3.48Å; F154-Y168 AromaticContact CZ-CE1 3.82Å; F154-Y168 HydrophobicContact CZ-CE1 3.82Å; F154-Y168 AromaticContact CZ-CG 3.96Å; F154-Y168 HydrophobicContact CZ-CG 3.96Å; Y168-L175 HydrophobicContact CD2-CD2 3.47Å; Y168-L175 VanDerWaalsContact CD2-CD2 3.47Å; Y168-L175 HydrophobicContact CE2-CD2 3.86Å; Y168-L175 HydrophobicContact CG-CD2 4.03Å |
| 169 | F | 97.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.9 | 170.2 | -63 | -100.4 | 0 | 0 | 0 | 109.2 | L74 R102 S106 L107 I167 Y176 H181 | L74-F169 HydrophobicContact CD2-CE2 4.43Å; R102-F169 HydrophobicContact CB-CD1 4.34Å; R102-F169 HydrophobicContact CB-CE1 3.93Å; S106-F169 CarbonylContact O-C 3.55Å; S106-F169 WeakPolarHBondContact O-CA 3.23Å; L107-F169 HydrophobicContact CB-CD1 4.32Å; L107-F169 HydrophobicContact CB-CE1 4.08Å; L107-F169 HydrophobicContact CD1-CD1 4.32Å; L107-F169 HydrophobicContact CD1-CD2 4.45Å; L107-F169 HydrophobicContact CD1-CE1 3.75Å; L107-F169 HydrophobicContact CD1-CE2 3.89Å; L107-F169 HydrophobicContact CD1-CZ 3.52Å; I167-F169 HydrophobicContact CD1-CE2 4.49Å; F169-Y176 PolarHBondContact N-O 3.24Å; F169-Y176 PolarHBondContact O-N 3.09Å; F169-H181 HydrophobicContact CB-CB 3.63Å; F169-H181 WeakPolarHBondContact CB-CD2 3.41Å; F169-H181 VanDerWaalsContact CB-CG 3.4Å; F169-H181 HydrophobicContact CD1-CB 4.48Å; F169-H181 AromaticContact CD1-CG 3.98Å; F169-H181 AromaticContact CD1-ND1 3.87Å; F169-H181 HydrophobicContact CD2-CB 4.28Å; F169-H181 HydrophobicContact CG-CB 3.89Å; F169-H181 AromaticContact CG-CG 3.76Å |
| 170 | Y | 97.5 | Very high | 94.6 | Very high | 61 Ų | 61 | 43 Ų | 43 | 24% | 0.239 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.6 | 175.9 | -172.4 | -110.3 | 0 | 0 | 0 | 110 | S106 R142 A143 G173 H174 L175 | S106-Y170 VanDerWaalsContact CB-O 3.3Å; S106-Y170 WeakPolarHBondContact CB-O 3.4Å; S106-Y170 PolarHBondContact O-N 3.04Å; S106-Y170 PolarHBondContact OG-O 3.28Å; R142-Y170 HydrophobicContact CB-CD1 4.49Å; R142-Y170 HydrophobicContact CB-CG 4.42Å; R142-Y170 WeakPolarHBondContact O-CD1 3.36Å; A143-Y170 HydrophobicContact CB-CD1 4.34Å; A143-Y170 HydrophobicContact CB-CD2 3.78Å; A143-Y170 HydrophobicContact CB-CE1 4.03Å; A143-Y170 HydrophobicContact CB-CE2 3.41Å; A143-Y170 VanDerWaalsContact CB-CE2 3.41Å; A143-Y170 HydrophobicContact CB-CG 4.21Å; Y170-G173 VanDerWaalsContact CE2-C 3.42Å; Y170-G173 WeakPolarHBondContact CE2-O 3.29Å; Y170-G173 WeakPolarHBondContact OH-CA 3.43Å; Y170-H174 WeakPolarHBondContact CA-O 3.38Å; Y170-H174 WeakPolarHBondContact CD2-O 3.46Å; Y170-L175 HydrophobicContact CD2-CD2 3.96Å |
| 171 | H | 96.6 | Very high | 94.7 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 128.9 | -178 | -170.4 | 78.8 | 0 | 0 | 0 | 109.2 | G173 H174 Y176 | H171-G173 VanDerWaalsContact C-N 3.27Å; H171-G173 PolarHBondContact O-N 3.47Å; H171-G173 VanDerWaalsContact O-N 3.15Å; H171-H174 PolarHBondContact N-O 2.97Å; H171-H174 PolarHBondContact O-N 3.49Å; H171-Y176 HydrophobicContact CB-CD2 4.08Å; H171-Y176 HydrophobicContact CB-CE2 4.05Å |
| 172 | D | 94.7 | Very high | 94.9 | Very high | 111 Ų | 111 | 38.8 Ų | 38.8 | 59% | 0.594 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 46.5 | 177.3 | -62.2 | -13.3 | 0 | 0 | 0 | 114.4 | H174 | D172-H174 VanDerWaalsContact C-N 3.31Å; D172-H174 PolarHBondContact O-CE1 3.45Å; D172-H174 PolarHBondContact O-N 3.15Å; D172-H174 PolarHBondContact O-ND1 3.4Å |
| 173 | G | 93.9 | Very high | 95 | Very high | 47 Ų | 47 | 39.3 Ų | 39.3 | 49% | 0.485 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | -6.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y170 H171 | Y170-G173 VanDerWaalsContact CE2-C 3.42Å; Y170-G173 WeakPolarHBondContact CE2-O 3.29Å; Y170-G173 WeakPolarHBondContact OH-CA 3.43Å; H171-G173 VanDerWaalsContact C-N 3.27Å; H171-G173 PolarHBondContact O-N 3.47Å; H171-G173 VanDerWaalsContact O-N 3.15Å |
| 174 | H | 96.4 | Very high | 95.1 | Very high | 81 Ų | 81 | 43.4 Ų | 43.4 | 38% | 0.375 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 155.4 | -170.6 | -57.3 | 90.6 | 0 | 0 | 0 | 112.7 | Q157 Y170 H171 D172 Y176 | Q157-H174 HydrophobicContact CB-CB 4.22Å; Q157-H174 HydrophobicContact CG-CB 4.35Å; Y170-H174 WeakPolarHBondContact CA-O 3.38Å; Y170-H174 WeakPolarHBondContact CD2-O 3.46Å; H171-H174 PolarHBondContact N-O 2.97Å; H171-H174 PolarHBondContact O-N 3.49Å; D172-H174 VanDerWaalsContact C-N 3.31Å; D172-H174 PolarHBondContact O-CE1 3.45Å; D172-H174 PolarHBondContact O-N 3.15Å; D172-H174 PolarHBondContact O-ND1 3.4Å; H174-Y176 HydrophobicContact CB-CD2 4.4Å; H174-Y176 HydrophobicContact CB-CE2 3.58Å |
| 175 | L | 97.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.4 | 176.6 | -63.3 | 168.9 | 0 | 0 | 0 | 110.4 | W149 F154 C156 Q157 L163 Y168 Y170 | W149-L175 HydrophobicContact CD2-CD1 4.15Å; W149-L175 HydrophobicContact CG-CD1 4.47Å; W149-L175 HydrophobicContact CZ2-CD1 4.16Å; F154-L175 HydrophobicContact CD2-CD1 3.49Å; F154-L175 VanDerWaalsContact CD2-CD1 3.49Å; F154-L175 HydrophobicContact CE2-CD1 3.4Å; F154-L175 HydrophobicContact CE2-CD2 4.11Å; F154-L175 HydrophobicContact CE2-CG 4.42Å; F154-L175 HydrophobicContact CG-CD1 4.21Å; F154-L175 HydrophobicContact CZ-CD1 4.05Å; F154-L175 HydrophobicContact CZ-CD2 4.28Å; C156-L175 CarbonylContact C-O 3.54Å; C156-L175 WeakPolarHBondContact CA-O 3.32Å; Q157-L175 PolarHBondContact N-O 3.03Å; L163-L175 HydrophobicContact CD1-CB 4.06Å; Y168-L175 HydrophobicContact CD2-CD2 3.47Å; Y168-L175 VanDerWaalsContact CD2-CD2 3.47Å; Y168-L175 HydrophobicContact CE2-CD2 3.86Å; Y168-L175 HydrophobicContact CG-CD2 4.03Å; Y170-L175 HydrophobicContact CD2-CD2 3.96Å |
| 176 | Y | 98.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.3 | 178.3 | -63.2 | -85.8 | 0 | 0 | 0 | 111.6 | Q157 F169 H171 H174 H180 L184 | Q157-Y176 HydrophobicContact CB-CD1 4.37Å; Q157-Y176 HydrophobicContact CB-CE1 3.9Å; Q157-Y176 HydrophobicContact CG-CE1 4.47Å; F169-Y176 PolarHBondContact N-O 3.24Å; F169-Y176 PolarHBondContact O-N 3.09Å; H171-Y176 HydrophobicContact CB-CD2 4.08Å; H171-Y176 HydrophobicContact CB-CE2 4.05Å; H174-Y176 HydrophobicContact CB-CD2 4.4Å; H174-Y176 HydrophobicContact CB-CE2 3.58Å; Y176-H180 HydrophobicContact CD1-CB 4.2Å; Y176-L184 HydrophobicContact CD1-CD1 4.09Å; Y176-L184 HydrophobicContact CD2-CD1 4.11Å; Y176-L184 HydrophobicContact CE1-CD1 3.82Å; Y176-L184 HydrophobicContact CE2-CD1 3.83Å; Y176-L184 HydrophobicContact CG-CD1 4.23Å |
| 177 | C | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | trans | -70.6 | 168.3 | 162.5 | 66.7 | 0 | 0 | 0 | 0 | 110.2 | Q73 C156 L163 R179 H180 H181 | Q73-C177 HydrophobicContact CB-CB 3.9Å; Q73-C177 HydrophobicContact CG-CB 4.01Å; C156-C177 HydrophobicContact CB-CB 4.36Å; C156-C177 PolarHBondContact SG-N 2.95Å; C156-C177 VanDerWaalsContact SG-N 3.42Å; L163-C177 HydrophobicContact CD2-CB 3.78Å; C177-R179 VanDerWaalsContact C-N 3.32Å; C177-R179 PolarHBondContact O-N 2.79Å; C177-H180 PolarHBondContact SG-N 2.65Å; C177-H180 PolarHBondContact SG-ND1 2.88Å; C177-H181 WeakPolarHBondContact O-CB 3.41Å; C177-H181 PolarHBondContact O-N 2.99Å | ||
| 178 | G | 96.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.6 | -43.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q73 R102 A182 | Q73-G178 CarbonylContact O-C 3.58Å; Q73-G178 VanDerWaalsContact O-CA 3.32Å; Q73-G178 WeakPolarHBondContact O-CA 3.3Å; Q73-G178 PolarHBondContact O-N 3.47Å; R102-G178 PolarHBondContact NH2-O 2.96Å; G178-A182 WeakPolarHBondContact O-CB 3.3Å; G178-A182 PolarHBondContact O-N 2.96Å |
| 179 | R | 97.8 | Very high | 96.7 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 18% | 0.177 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.4 | -57.8 | 178.3 | 178.1 | 170.3 | -176.4 | 137.9 | 4 | 112.9 | Q72 Q73 P75 C177 H181 A182 E183 D193 | Q72-R179 VanDerWaalsContact O-CB 3.23Å; Q72-R179 WeakPolarHBondContact O-CB 3.16Å; Q72-R179 WeakPolarHBondContact O-CD 3.49Å; Q73-R179 PolarHBondContact O-N 2.87Å; P75-R179 HydrophobicContact CG-CB 3.96Å; P75-R179 HydrophobicContact CG-CG 4.24Å; C177-R179 VanDerWaalsContact C-N 3.32Å; C177-R179 PolarHBondContact O-N 2.79Å; R179-H181 VanDerWaalsContact C-N 3.35Å; R179-H181 PolarHBondContact O-N 3.37Å; R179-A182 WeakPolarHBondContact O-CA 3.44Å; R179-A182 VanDerWaalsContact O-CB 3.29Å; R179-A182 WeakPolarHBondContact O-CB 3.37Å; R179-A182 PolarHBondContact O-N 2.91Å; R179-E183 VanDerWaalsContact CG-OE1 3.24Å; R179-E183 WeakPolarHBondContact CG-OE1 3.27Å; R179-E183 IonicContact CZ-OE1 3.46Å; R179-E183 IonicContact NE-OE1 2.78Å; R179-E183 PolarHBondContact NE-OE1 2.72Å; R179-E183 IonicContact NH2-OE1 3.47Å; R179-E183 WeakPolarHBondContact O-CG 3.4Å; R179-E183 PolarHBondContact O-N 3.26Å; R179-D193 IonicContact CZ-OD1 2.88Å; R179-D193 IonicContact CZ-OD2 3.18Å; R179-D193 IonicContact NH1-OD1 2.74Å; R179-D193 PolarHBondContact NH1-OD1 3.29Å; R179-D193 IonicContact NH1-OD2 3.06Å; R179-D193 PolarHBondContact NH1-OD2 3.41Å; R179-D193 IonicContact NH2-OD1 2.77Å; R179-D193 PolarHBondContact NH2-OD1 2.91Å; R179-D193 IonicContact NH2-OD2 3.6Å |
| 180 | H | 98.3 | Very high | 96.4 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.2 | -34.9 | -175.5 | -69.1 | 119.2 | 0 | 0 | 0 | 112.2 | A158 C159 Y176 C177 A182 E183 L184 | A158-H180 HydrophobicContact CB-CB 3.86Å; A158-H180 VanDerWaalsContact CB-CG 3.46Å; C159-H180 WeakPolarHBondContact CB-CE1 3.45Å; C159-H180 VanDerWaalsContact SG-CE1 3.54Å; Y176-H180 HydrophobicContact CD1-CB 4.2Å; C177-H180 PolarHBondContact SG-N 2.65Å; C177-H180 PolarHBondContact SG-ND1 2.88Å; H180-A182 PolarHBondContact O-N 3.46Å; H180-E183 IonicContact CD2-OE2 3.28Å; H180-E183 PolarHBondContact CD2-OE2 3.14Å; H180-E183 VanDerWaalsContact CD2-OE2 3.28Å; H180-E183 IonicContact NE2-OE2 3.97Å; H180-E183 PolarHBondContact O-N 2.86Å; H180-L184 WeakPolarHBondContact O-CG 3.28Å; H180-L184 PolarHBondContact O-N 3.06Å |
| 181 | H | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -34.9 | 171.8 | -176.1 | -81.1 | 0 | 0 | 0 | 111.9 | R102 S106 F169 C177 R179 | R102-H181 PolarHBondContact NE-ND1 3.24Å; R102-H181 VanDerWaalsContact NE-ND1 3.17Å; S106-H181 VanDerWaalsContact CB-NE2 3.31Å; S106-H181 WeakPolarHBondContact CB-NE2 3.43Å; S106-H181 PolarHBondContact OG-NE2 3.49Å; S106-H181 VanDerWaalsContact OG-NE2 3.1Å; F169-H181 HydrophobicContact CB-CB 3.63Å; F169-H181 WeakPolarHBondContact CB-CD2 3.41Å; F169-H181 VanDerWaalsContact CB-CG 3.4Å; F169-H181 HydrophobicContact CD1-CB 4.48Å; F169-H181 AromaticContact CD1-CG 3.98Å; F169-H181 AromaticContact CD1-ND1 3.87Å; F169-H181 HydrophobicContact CD2-CB 4.28Å; F169-H181 HydrophobicContact CG-CB 3.89Å; F169-H181 AromaticContact CG-CG 3.76Å; C177-H181 WeakPolarHBondContact O-CB 3.41Å; C177-H181 PolarHBondContact O-N 2.99Å; R179-H181 VanDerWaalsContact C-N 3.35Å; R179-H181 PolarHBondContact O-N 3.37Å |
| 182 | A | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.5 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F98 R102 G178 R179 H180 L184 L185 R186 L195 | F98-A182 HydrophobicContact CE1-CB 4.28Å; F98-A182 HydrophobicContact CZ-CB 4.01Å; R102-A182 VanDerWaalsContact NH1-CB 3.34Å; G178-A182 WeakPolarHBondContact O-CB 3.3Å; G178-A182 PolarHBondContact O-N 2.96Å; R179-A182 WeakPolarHBondContact O-CA 3.44Å; R179-A182 VanDerWaalsContact O-CB 3.29Å; R179-A182 WeakPolarHBondContact O-CB 3.37Å; R179-A182 PolarHBondContact O-N 2.91Å; H180-A182 PolarHBondContact O-N 3.46Å; A182-L184 VanDerWaalsContact C-N 3.27Å; A182-L184 PolarHBondContact O-N 3.46Å; A182-L185 PolarHBondContact O-N 3.01Å; A182-R186 PolarHBondContact O-N 3.42Å; A182-L195 HydrophobicContact CB-CD1 3.78Å; A182-L195 HydrophobicContact CB-CD2 3.99Å; A182-L195 HydrophobicContact CB-CG 4.46Å |
| 183 | E | 97.2 | Very high | 95.8 | Very high | 65 Ų | 65 | 35 Ų | 35 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65 | -26.3 | -179.4 | -71.3 | 169.5 | -176.1 | 0 | 0 | 113.4 | R179 H180 L185 R186 R188 | R179-E183 VanDerWaalsContact CG-OE1 3.24Å; R179-E183 WeakPolarHBondContact CG-OE1 3.27Å; R179-E183 IonicContact CZ-OE1 3.46Å; R179-E183 IonicContact NE-OE1 2.78Å; R179-E183 PolarHBondContact NE-OE1 2.72Å; R179-E183 IonicContact NH2-OE1 3.47Å; R179-E183 WeakPolarHBondContact O-CG 3.4Å; R179-E183 PolarHBondContact O-N 3.26Å; H180-E183 IonicContact CD2-OE2 3.28Å; H180-E183 PolarHBondContact CD2-OE2 3.14Å; H180-E183 VanDerWaalsContact CD2-OE2 3.28Å; H180-E183 IonicContact NE2-OE2 3.97Å; H180-E183 PolarHBondContact O-N 2.86Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 3.34Å; E183-R186 WeakPolarHBondContact CA-O 3.24Å; E183-R188 HydrophobicContact CG-CB 4.12Å; E183-R188 WeakPolarHBondContact OE1-CD 3.44Å; E183-R188 IonicContact OE1-CZ 3.85Å; E183-R188 IonicContact OE1-NE 2.79Å; E183-R188 PolarHBondContact OE1-NE 2.74Å; E183-R188 IonicContact OE1-NH2 3.06Å |
| 184 | L | 96.4 | Very high | 95.9 | Very high | 88 Ų | 88 | 33.4 Ų | 33.4 | 46% | 0.461 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64 | -31.2 | 170.3 | -72.4 | 174.4 | 0 | 0 | 0 | 113 | Y176 H180 A182 | Y176-L184 HydrophobicContact CD1-CD1 4.09Å; Y176-L184 HydrophobicContact CD2-CD1 4.11Å; Y176-L184 HydrophobicContact CE1-CD1 3.82Å; Y176-L184 HydrophobicContact CE2-CD1 3.83Å; Y176-L184 HydrophobicContact CG-CD1 4.23Å; H180-L184 WeakPolarHBondContact O-CG 3.28Å; H180-L184 PolarHBondContact O-N 3.06Å; A182-L184 VanDerWaalsContact C-N 3.27Å; A182-L184 PolarHBondContact O-N 3.46Å |
| 185 | L | 95.9 | Very high | 95.9 | Very high | 61 Ų | 61 | 29.8 Ų | 29.8 | 32% | 0.319 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -104.6 | -28.6 | -170.2 | -61.5 | 179.2 | 0 | 0 | 0 | 112.8 | F98 R102 A182 E183 | F98-L185 HydrophobicContact CE2-CB 3.7Å; F98-L185 HydrophobicContact CE2-CD1 3.94Å; F98-L185 HydrophobicContact CE2-CG 4.49Å; F98-L185 HydrophobicContact CZ-CB 4.36Å; R102-L185 HydrophobicContact CG-CD1 4.03Å; A182-L185 PolarHBondContact O-N 3.01Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 3.34Å |
| 186 | R | 95.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 6% | 0.06 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -142.7 | 137 | -177.1 | -76.1 | -62.5 | -138.6 | 148.5 | -6.2 | 110.1 | F98 A182 E183 L195 I196 F197 | F98-R186 HydrophobicContact CD2-CG 4.1Å; F98-R186 HydrophobicContact CE2-CB 4.34Å; F98-R186 HydrophobicContact CE2-CG 3.7Å; F98-R186 HydrophobicContact CZ-CB 4.4Å; F98-R186 HydrophobicContact CZ-CG 4.18Å; A182-R186 PolarHBondContact O-N 3.42Å; E183-R186 WeakPolarHBondContact CA-O 3.24Å; R186-L195 HydrophobicContact CB-CB 4.36Å; R186-L195 HydrophobicContact CB-CD2 4.11Å; R186-I196 PolarHBondContact NH1-O 2.77Å; R186-F197 HydrophobicContact CG-CE1 4.49Å; R186-F197 PolarHBondContact NH1-O 2.89Å; R186-F197 VanDerWaalsContact NH2-CD1 3.31Å; R186-F197 PolarHBondContact NH2-O 2.83Å |
| 187 | P | 95.6 | Very high | 95.6 | Very high | 29 Ų | 29 | 28.2 Ų | 28.2 | 19% | 0.188 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 144.5 | 176.3 | 29.1 | -34.6 | 0 | 0 | 0 | 111.2 | L195 I196 R208 | P187-L195 WeakPolarHBondContact O-CA 3.49Å; P187-I196 HydrophobicContact CB-CD1 4.49Å; P187-I196 HydrophobicContact CG-CB 4.2Å; P187-I196 HydrophobicContact CG-CD1 4.42Å; P187-I196 PolarHBondContact O-N 2.88Å; P187-R208 HydrophobicContact CB-CB 3.9Å; P187-R208 HydrophobicContact CB-CG 4.35Å; P187-R208 HydrophobicContact CG-CB 4.33Å |
| 188 | R | 95.9 | Very high | 95.3 | Very high | 26 Ų | 26 | 29.3 Ų | 29.3 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -103.3 | 131.4 | 173.9 | -172 | 179.2 | -58.4 | -81.1 | -7.6 | 110.6 | D78 E183 P190 D193 L195 | D78-R188 VanDerWaalsContact CG-NH2 3.34Å; D78-R188 IonicContact OD1-CZ 3.78Å; D78-R188 IonicContact OD1-NH1 3.74Å; D78-R188 PolarHBondContact OD1-NH1 3.22Å; D78-R188 IonicContact OD1-NH2 3.75Å; D78-R188 PolarHBondContact OD1-NH2 2.78Å; D78-R188 IonicContact OD2-CZ 3.21Å; D78-R188 IonicContact OD2-NH1 3.82Å; D78-R188 IonicContact OD2-NH2 3.86Å; D78-R188 PolarHBondContact OD2-NH2 3.02Å; E183-R188 HydrophobicContact CG-CB 4.12Å; E183-R188 WeakPolarHBondContact OE1-CD 3.44Å; E183-R188 IonicContact OE1-CZ 3.85Å; E183-R188 IonicContact OE1-NE 2.79Å; E183-R188 PolarHBondContact OE1-NE 2.74Å; E183-R188 IonicContact OE1-NH2 3.06Å; R188-P190 WeakPolarHBondContact O-CD 3.09Å; R188-D193 WeakPolarHBondContact CD-OD1 3.38Å; R188-D193 PolarHBondContact NH1-O 3.43Å; R188-L195 HydrophobicContact CB-CD2 4.26Å |
| 189 | C | 94.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 120.8 | 175.9 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | A191 C192 D193 Q194 I196 R208 H210 | C189-A191 VanDerWaalsContact C-N 3.26Å; C189-A191 PolarHBondContact O-N 3.27Å; C189-C192 PolarHBondContact O-N 3.04Å; C189-D193 WeakPolarHBondContact O-CA 3.31Å; C189-D193 PolarHBondContact O-N 3.2Å; C189-Q194 PolarHBondContact N-O 3.31Å; C189-I196 HydrophobicContact CB-CD1 4.02Å; C189-I196 HydrophobicContact CB-CG1 3.92Å; C189-R208 WeakPolarHBondContact CA-O 3.4Å; C189-H210 VanDerWaalsContact CB-ND1 3.31Å; C189-H210 WeakPolarHBondContact CB-ND1 3.42Å |
| 190 | P | 91.8 | Very high | 94.3 | Very high | 51 Ų | 51 | 41 Ų | 41 | 33% | 0.331 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -26.3 | -178.6 | -21.8 | 31.8 | 0 | 0 | 0 | 114.5 | R188 R207 R208 W209 | R188-P190 WeakPolarHBondContact O-CD 3.09Å; P190-R207 HydrophobicContact CG-CB 4.23Å; P190-R208 VanDerWaalsContact CD-O 3.24Å; P190-R208 WeakPolarHBondContact CD-O 3.4Å; P190-W209 HydrophobicContact CB-CE3 4.36Å; P190-W209 HydrophobicContact CB-CH2 3.61Å; P190-W209 HydrophobicContact CB-CZ2 3.85Å; P190-W209 HydrophobicContact CB-CZ3 3.89Å; P190-W209 HydrophobicContact CG-CD2 4.15Å; P190-W209 HydrophobicContact CG-CE3 4.38Å; P190-W209 HydrophobicContact CG-CH2 4.01Å; P190-W209 HydrophobicContact CG-CZ2 3.73Å; P190-W209 HydrophobicContact CG-CZ3 4.32Å |
| 191 | A | 90.5 | Very high | 94 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 51% | 0.512 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -39.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | C189 W209 H213 | C189-A191 VanDerWaalsContact C-N 3.26Å; C189-A191 PolarHBondContact O-N 3.27Å; A191-W209 HydrophobicContact CB-CE3 3.82Å; A191-W209 HydrophobicContact CB-CZ3 3.57Å; A191-H213 HydrophobicContact CB-CB 3.76Å |
| 192 | C | 92.2 | Very high | 93.6 | Very high | 27 Ų | 27 | 40.9 Ų | 40.9 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 0.7 | -170.3 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | C189 Q194 H210 H213 | C189-C192 PolarHBondContact O-N 3.04Å; C192-Q194 PolarHBondContact O-N 2.98Å; C192-H210 PolarHBondContact SG-ND1 3.06Å; C192-H213 WeakPolarHBondContact CB-CE1 3.48Å; C192-H213 WeakPolarHBondContact CB-ND1 3.35Å; C192-H213 PolarHBondContact SG-CE1 2.97Å; C192-H213 PolarHBondContact SG-ND1 3.36Å |
| 193 | D | 94.3 | Very high | 93.1 | Very high | 52 Ų | 52 | 43.6 Ų | 43.6 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | trans | 55 | 25.1 | 179.7 | -148.7 | 46.2 | 0 | 0 | 0 | 114.8 | Q77 R179 R188 C189 | Q77-D193 PolarHBondContact NE2-O 3.14Å; R179-D193 IonicContact CZ-OD1 2.88Å; R179-D193 IonicContact CZ-OD2 3.18Å; R179-D193 IonicContact NH1-OD1 2.74Å; R179-D193 PolarHBondContact NH1-OD1 3.29Å; R179-D193 IonicContact NH1-OD2 3.06Å; R179-D193 PolarHBondContact NH1-OD2 3.41Å; R179-D193 IonicContact NH2-OD1 2.77Å; R179-D193 PolarHBondContact NH2-OD1 2.91Å; R179-D193 IonicContact NH2-OD2 3.6Å; R188-D193 WeakPolarHBondContact CD-OD1 3.38Å; R188-D193 PolarHBondContact NH1-O 3.43Å; C189-D193 WeakPolarHBondContact O-CA 3.31Å; C189-D193 PolarHBondContact O-N 3.2Å | ||
| 194 | Q | 95.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | trans | -107 | 149.5 | 176 | -78.3 | 169.5 | 59.4 | 0 | 0 | 111.6 | Q77 L85 C189 C192 | Q77-Q194 HydrophobicContact CB-CG 4.13Å; Q77-Q194 HydrophobicContact CG-CG 3.79Å; L85-Q194 VanDerWaalsContact CG-NE2 3.25Å; C189-Q194 PolarHBondContact N-O 3.31Å; C192-Q194 PolarHBondContact O-N 2.98Å | ||
| 195 | L | 96.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -68.9 | 137.1 | 173.5 | -60.8 | 169.4 | 0 | 0 | 0 | 110 | D78 F98 A182 R186 P187 R188 F197 | D78-L195 HydrophobicContact CB-CD1 4.29Å; F98-L195 HydrophobicContact CD1-CD1 4.37Å; F98-L195 HydrophobicContact CE1-CD1 3.49Å; F98-L195 VanDerWaalsContact CE1-CD1 3.49Å; F98-L195 HydrophobicContact CZ-CD1 3.88Å; A182-L195 HydrophobicContact CB-CD1 3.78Å; A182-L195 HydrophobicContact CB-CD2 3.99Å; A182-L195 HydrophobicContact CB-CG 4.46Å; R186-L195 HydrophobicContact CB-CB 4.36Å; R186-L195 HydrophobicContact CB-CD2 4.11Å; P187-L195 WeakPolarHBondContact O-CA 3.49Å; R188-L195 HydrophobicContact CB-CD2 4.26Å; L195-F197 HydrophobicContact CB-CD2 4.34Å; L195-F197 HydrophobicContact CB-CE2 3.7Å; L195-F197 HydrophobicContact CB-CZ 4.16Å; L195-F197 HydrophobicContact CD1-CE2 4.44Å; L195-F197 HydrophobicContact CD1-CZ 4.27Å; L195-F197 WeakPolarHBondContact O-CD2 3.48Å; L195-F197 PolarHBondContact O-N 2.97Å |
| 196 | I | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -88.1 | 109.6 | -179.1 | -55.7 | 165.4 | 0 | 0 | 0 | 108.2 | R186 P187 C189 C201 R208 H210 | R186-I196 PolarHBondContact NH1-O 2.77Å; P187-I196 HydrophobicContact CB-CD1 4.49Å; P187-I196 HydrophobicContact CG-CB 4.2Å; P187-I196 HydrophobicContact CG-CD1 4.42Å; P187-I196 PolarHBondContact O-N 2.88Å; C189-I196 HydrophobicContact CB-CD1 4.02Å; C189-I196 HydrophobicContact CB-CG1 3.92Å; I196-C201 HydrophobicContact CG2-CB 4.07Å; I196-R208 VanDerWaalsContact CD1-C 3.41Å; I196-R208 HydrophobicContact CD1-CB 3.83Å; I196-R208 VanDerWaalsContact CD1-O 3.28Å; I196-R208 WeakPolarHBondContact CD1-O 3.26Å; I196-H210 WeakPolarHBondContact CA-NE2 3.17Å | ||
| 197 | F | 94.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | trans | -88.1 | -38 | 176.9 | -73.2 | -83.3 | 0 | 0 | 0 | 112.6 | E91 Q94 L95 F98 R186 L195 | E91-F197 HydrophobicContact CB-CB 3.93Å; E91-F197 HydrophobicContact CG-CB 4.09Å; Q94-F197 HydrophobicContact CB-CB 4.47Å; Q94-F197 HydrophobicContact CB-CD1 3.66Å; Q94-F197 HydrophobicContact CB-CE1 4.4Å; Q94-F197 HydrophobicContact CB-CG 4.4Å; Q94-F197 PolarHBondContact OE1-O 2.74Å; L95-F197 HydrophobicContact CB-CD2 4.42Å; L95-F197 HydrophobicContact CB-CE1 4.25Å; L95-F197 HydrophobicContact CB-CE2 3.99Å; L95-F197 HydrophobicContact CB-CZ 3.91Å; L95-F197 HydrophobicContact CD1-CE2 3.68Å; L95-F197 HydrophobicContact CD1-CZ 3.53Å; L95-F197 HydrophobicContact CG-CE2 4.36Å; L95-F197 HydrophobicContact CG-CZ 4.33Å; F98-F197 HydrophobicContact CB-CE1 3.87Å; F98-F197 HydrophobicContact CB-CZ 4.31Å; F98-F197 HydrophobicContact CD1-CE1 4.28Å; F98-F197 AromaticContact CD1-CZ 3.95Å; F98-F197 HydrophobicContact CD1-CZ 3.95Å; F98-F197 HydrophobicContact CE1-CZ 4.46Å; F98-F197 HydrophobicContact CG-CE1 4.05Å; F98-F197 HydrophobicContact CG-CZ 4.2Å; R186-F197 HydrophobicContact CG-CE1 4.49Å; R186-F197 PolarHBondContact NH1-O 2.89Å; R186-F197 VanDerWaalsContact NH2-CD1 3.31Å; R186-F197 PolarHBondContact NH2-O 2.83Å; L195-F197 HydrophobicContact CB-CD2 4.34Å; L195-F197 HydrophobicContact CB-CE2 3.7Å; L195-F197 HydrophobicContact CB-CZ 4.16Å; L195-F197 HydrophobicContact CD1-CE2 4.44Å; L195-F197 HydrophobicContact CD1-CZ 4.27Å; L195-F197 WeakPolarHBondContact O-CD2 3.48Å; L195-F197 PolarHBondContact O-N 2.97Å | ||
| 198 | S | 90.7 | Very high | 91.2 | Very high | 24 Ų | 24 | 48 Ų | 48 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -46.7 | 144.1 | 174.6 | -174.8 | 0 | 0 | 0 | 0 | 114.2 | E91 R200 | E91-S198 WeakPolarHBondContact OE1-CA 3.45Å; E91-S198 WeakPolarHBondContact OE1-CB 3.13Å; E91-S198 PolarHBondContact OE1-N 2.78Å; S198-R200 VanDerWaalsContact C-N 3.29Å; S198-R200 WeakPolarHBondContact CB-O 3.39Å; S198-R200 PolarHBondContact OG-N 3.27Å; S198-R200 PolarHBondContact OG-O 2.85Å |
| 199 | Q | 86.2 | Confident | 91 | Very high | 134 Ų | 134 | 47.9 Ų | 47.9 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -71.6 | -27.4 | 169 | -64.2 | -179.8 | 28 | 0 | 0 | 112 | ||
| 200 | R | 88.4 | Confident | 90.9 | Very high | 164 Ų | 164 | 49.2 Ų | 49.2 | 62% | 0.619 | 26% | 0.258 | S | S | * | . | trans | -95.2 | 126.3 | 177 | -55.2 | -169.6 | -63.7 | -89.1 | -2.8 | 110.1 | S198 E211 | S198-R200 VanDerWaalsContact C-N 3.29Å; S198-R200 WeakPolarHBondContact CB-O 3.39Å; S198-R200 PolarHBondContact OG-N 3.27Å; S198-R200 PolarHBondContact OG-O 2.85Å; R200-E211 VanDerWaalsContact CB-CD 3.42Å; R200-E211 HydrophobicContact CB-CG 4.13Å; R200-E211 WeakPolarHBondContact CB-OE1 3.44Å; R200-E211 WeakPolarHBondContact CD-OE1 3.49Å; R200-E211 IonicContact CZ-OE2 2.84Å; R200-E211 IonicContact NE-OE1 3.08Å; R200-E211 PolarHBondContact NE-OE1 3.49Å; R200-E211 IonicContact NE-OE2 2.82Å; R200-E211 PolarHBondContact NE-OE2 2.95Å; R200-E211 IonicContact NH2-OE2 3.06Å | ||
| 201 | C | 90.3 | Very high | 90.6 | Very high | 19 Ų | 19 | 51 Ų | 51 | 13% | 0.128 | 26% | 0.262 | C | S | . | . | trans | -152.9 | 161.1 | 177.6 | 66.8 | 0 | 0 | 0 | 0 | 109.6 | I196 R208 W209 | I196-C201 HydrophobicContact CG2-CB 4.07Å; C201-R208 VanDerWaalsContact SG-CZ 3.53Å; C201-R208 PolarHBondContact SG-NE 3.37Å; C201-R208 PolarHBondContact SG-NH2 2.9Å; C201-W209 WeakPolarHBondContact CA-O 3.35Å; C201-W209 VanDerWaalsContact CB-O 3.27Å; C201-W209 WeakPolarHBondContact CB-O 3.48Å | ||
| 202 | T | 90.1 | Very high | 90.5 | Very high | 17 Ų | 17 | 55 Ų | 55 | 10% | 0.104 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.9 | 172 | -56.2 | 0 | 0 | 0 | 0 | 109.1 | R208 W209 F214 | T202-R208 CarbonylContact O-C 3.49Å; T202-R208 WeakPolarHBondContact O-CA 3.45Å; T202-W209 PolarHBondContact N-O 2.95Å; T202-W209 PolarHBondContact O-N 3.13Å; T202-F214 HydrophobicContact CG2-CB 3.91Å; T202-F214 HydrophobicContact CG2-CD1 3.57Å; T202-F214 HydrophobicContact CG2-CD2 4.46Å; T202-F214 HydrophobicContact CG2-CE1 4.21Å; T202-F214 HydrophobicContact CG2-CG 3.72Å |
| 203 | E | 88.4 | Confident | 90.5 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.3 | 174.2 | -171.1 | 171.1 | 164.9 | 0 | 0 | 109.6 | R207 R208 | E203-R207 WeakPolarHBondContact CA-O 3.42Å; E203-R208 HydrophobicContact CB-CG 4.31Å; E203-R208 HydrophobicContact CG-CG 4.1Å |
| 204 | A | 86.6 | Confident | 90.3 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 130.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | G206 R207 F214 Y228 | A204-G206 VanDerWaalsContact C-N 3.28Å; A204-G206 PolarHBondContact O-N 3.18Å; A204-R207 PolarHBondContact N-O 3.17Å; A204-R207 WeakPolarHBondContact O-CA 3.21Å; A204-R207 WeakPolarHBondContact O-CB 3.36Å; A204-R207 PolarHBondContact O-N 3.47Å; A204-F214 HydrophobicContact CB-CD2 4.36Å; A204-F214 HydrophobicContact CB-CE2 3.62Å; A204-F214 HydrophobicContact CB-CZ 3.72Å; A204-Y228 VanDerWaalsContact CB-OH 3.3Å; A204-Y228 WeakPolarHBondContact CB-OH 3.37Å |
| 205 | E | 86 | Confident | 90.2 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 36.9 | -178.6 | -49.9 | -51 | 128.6 | 0 | 0 | 115.3 | R207 Y228 L230 G341 | E205-R207 PolarHBondContact O-N 3.24Å; E205-R207 VanDerWaalsContact O-N 3.08Å; E205-Y228 PolarHBondContact OE1-OH 3.4Å; E205-L230 VanDerWaalsContact CD-CD1 3.42Å; E205-L230 HydrophobicContact CG-CD1 3.16Å; E205-L230 HydrophobicContact CG-CG 4.49Å; E205-G341 VanDerWaalsContact OE1-CA 3.28Å; E205-G341 WeakPolarHBondContact OE1-CA 3.25Å |
| 206 | G | 86 | Confident | 89.9 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 73% | 0.732 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 13 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | A204 | A204-G206 VanDerWaalsContact C-N 3.28Å; A204-G206 PolarHBondContact O-N 3.18Å |
| 207 | R | 89.8 | Confident | 89.6 | Confident | 156 Ų | 156 | 60.1 Ų | 60.1 | 59% | 0.589 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 151.1 | 172.2 | -62.6 | 179 | -176.7 | -109.6 | 0.9 | 109.7 | P190 E203 A204 E205 | P190-R207 HydrophobicContact CG-CB 4.23Å; E203-R207 WeakPolarHBondContact CA-O 3.42Å; A204-R207 PolarHBondContact N-O 3.17Å; A204-R207 WeakPolarHBondContact O-CA 3.21Å; A204-R207 WeakPolarHBondContact O-CB 3.36Å; A204-R207 PolarHBondContact O-N 3.47Å; E205-R207 PolarHBondContact O-N 3.24Å; E205-R207 VanDerWaalsContact O-N 3.08Å |
| 208 | R | 92 | Very high | 89.5 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 16% | 0.158 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.2 | 178.9 | -63.7 | 177 | 68.5 | -173.9 | 1.7 | 109.8 | P187 C189 P190 I196 C201 T202 E203 | P187-R208 HydrophobicContact CB-CB 3.9Å; P187-R208 HydrophobicContact CB-CG 4.35Å; P187-R208 HydrophobicContact CG-CB 4.33Å; C189-R208 WeakPolarHBondContact CA-O 3.4Å; P190-R208 VanDerWaalsContact CD-O 3.24Å; P190-R208 WeakPolarHBondContact CD-O 3.4Å; I196-R208 VanDerWaalsContact CD1-C 3.41Å; I196-R208 HydrophobicContact CD1-CB 3.83Å; I196-R208 VanDerWaalsContact CD1-O 3.28Å; I196-R208 WeakPolarHBondContact CD1-O 3.26Å; C201-R208 VanDerWaalsContact SG-CZ 3.53Å; C201-R208 PolarHBondContact SG-NE 3.37Å; C201-R208 PolarHBondContact SG-NH2 2.9Å; T202-R208 CarbonylContact O-C 3.49Å; T202-R208 WeakPolarHBondContact O-CA 3.45Å; E203-R208 HydrophobicContact CB-CG 4.31Å; E203-R208 HydrophobicContact CG-CG 4.1Å |
| 209 | W | 92.7 | Very high | 89.5 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.2 | -176.6 | -56.7 | 77.4 | 0 | 0 | 0 | 109.1 | P190 A191 C201 T202 F214 P235 | P190-W209 HydrophobicContact CB-CE3 4.36Å; P190-W209 HydrophobicContact CB-CH2 3.61Å; P190-W209 HydrophobicContact CB-CZ2 3.85Å; P190-W209 HydrophobicContact CB-CZ3 3.89Å; P190-W209 HydrophobicContact CG-CD2 4.15Å; P190-W209 HydrophobicContact CG-CE3 4.38Å; P190-W209 HydrophobicContact CG-CH2 4.01Å; P190-W209 HydrophobicContact CG-CZ2 3.73Å; P190-W209 HydrophobicContact CG-CZ3 4.32Å; A191-W209 HydrophobicContact CB-CE3 3.82Å; A191-W209 HydrophobicContact CB-CZ3 3.57Å; C201-W209 WeakPolarHBondContact CA-O 3.35Å; C201-W209 VanDerWaalsContact CB-O 3.27Å; C201-W209 WeakPolarHBondContact CB-O 3.48Å; T202-W209 PolarHBondContact N-O 2.95Å; T202-W209 PolarHBondContact O-N 3.13Å; W209-F214 HydrophobicContact CB-CB 4.04Å; W209-F214 AromaticContact CD1-CD2 3.84Å; W209-F214 AromaticContact CD2-CD2 3.92Å; W209-F214 HydrophobicContact CD2-CD2 3.92Å; W209-F214 AromaticContact CE2-CD2 3.97Å; W209-F214 HydrophobicContact CG-CB 4.27Å; W209-F214 AromaticContact CG-CD2 3.89Å; W209-F214 HydrophobicContact CG-CD2 3.89Å; W209-F214 HydrophobicContact CG-CG 4.5Å; W209-F214 AromaticContact NE1-CD2 3.91Å; W209-P235 HydrophobicContact CH2-CG 4.28Å |
| 210 | H | 91.2 | Very high | 89.8 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 13% | 0.125 | 33% | 0.33 | C | S | . | . | trans | -58.7 | 147.6 | 162.2 | -64.6 | 113.2 | 0 | 0 | 0 | 109.5 | C189 C192 I196 N212 H213 F214 | C189-H210 VanDerWaalsContact CB-ND1 3.31Å; C189-H210 WeakPolarHBondContact CB-ND1 3.42Å; C192-H210 PolarHBondContact SG-ND1 3.06Å; I196-H210 WeakPolarHBondContact CA-NE2 3.17Å; H210-N212 PolarHBondContact O-N 3.2Å; H210-N212 VanDerWaalsContact O-N 3.13Å; H210-H213 HydrophobicContact CB-CB 4.1Å; H210-H213 AromaticContact CG-ND1 3.9Å; H210-H213 AromaticContact ND1-CE1 3.83Å; H210-H213 AromaticContact ND1-ND1 3.4Å; H210-H213 PolarHBondContact ND1-ND1 3.31Å; H210-H213 PolarHBondContact O-N 3.4Å; H210-F214 PolarHBondContact O-N 3.07Å | ||
| 211 | E | 86.5 | Confident | 89.8 | Confident | 88 Ų | 88 | 56 Ų | 56 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -52 | -40.5 | -176.6 | -62.1 | -171.6 | 119.6 | 0 | 0 | 111.9 | R200 | R200-E211 VanDerWaalsContact CB-CD 3.42Å; R200-E211 HydrophobicContact CB-CG 4.13Å; R200-E211 WeakPolarHBondContact CB-OE1 3.44Å; R200-E211 WeakPolarHBondContact CD-OE1 3.49Å; R200-E211 IonicContact CZ-OE2 2.84Å; R200-E211 IonicContact NE-OE1 3.08Å; R200-E211 PolarHBondContact NE-OE1 3.49Å; R200-E211 IonicContact NE-OE2 2.82Å; R200-E211 PolarHBondContact NE-OE2 2.95Å; R200-E211 IonicContact NH2-OE2 3.06Å |
| 212 | N | 88.1 | Confident | 89.8 | Confident | 147 Ų | 147 | 60.7 Ų | 60.7 | 79% | 0.786 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -84.9 | -6.7 | -177.5 | -60.8 | -24 | 0 | 0 | 0 | 114.4 | H210 | H210-N212 PolarHBondContact O-N 3.2Å; H210-N212 VanDerWaalsContact O-N 3.13Å |
| 213 | H | 91 | Very high | 89.7 | Confident | 56 Ų | 56 | 60.2 Ų | 60.2 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -103.9 | -6.7 | -175.6 | -70 | 172.4 | 0 | 0 | 0 | 113.6 | A191 C192 H210 C215 | A191-H213 HydrophobicContact CB-CB 3.76Å; C192-H213 WeakPolarHBondContact CB-CE1 3.48Å; C192-H213 WeakPolarHBondContact CB-ND1 3.35Å; C192-H213 PolarHBondContact SG-CE1 2.97Å; C192-H213 PolarHBondContact SG-ND1 3.36Å; H210-H213 HydrophobicContact CB-CB 4.1Å; H210-H213 AromaticContact CG-ND1 3.9Å; H210-H213 AromaticContact ND1-CE1 3.83Å; H210-H213 AromaticContact ND1-ND1 3.4Å; H210-H213 PolarHBondContact ND1-ND1 3.31Å; H210-H213 PolarHBondContact O-N 3.4Å; H213-C215 VanDerWaalsContact C-N 3.33Å; H213-C215 PolarHBondContact O-N 3.45Å |
| 214 | F | 91.5 | Very high | 89 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | trans | -86.8 | 79.1 | 170.9 | -167.4 | -112.1 | 0 | 0 | 0 | 110 | T202 A204 W209 H210 L223 Y228 P235 | T202-F214 HydrophobicContact CG2-CB 3.91Å; T202-F214 HydrophobicContact CG2-CD1 3.57Å; T202-F214 HydrophobicContact CG2-CD2 4.46Å; T202-F214 HydrophobicContact CG2-CE1 4.21Å; T202-F214 HydrophobicContact CG2-CG 3.72Å; A204-F214 HydrophobicContact CB-CD2 4.36Å; A204-F214 HydrophobicContact CB-CE2 3.62Å; A204-F214 HydrophobicContact CB-CZ 3.72Å; W209-F214 HydrophobicContact CB-CB 4.04Å; W209-F214 AromaticContact CD1-CD2 3.84Å; W209-F214 AromaticContact CD2-CD2 3.92Å; W209-F214 HydrophobicContact CD2-CD2 3.92Å; W209-F214 AromaticContact CE2-CD2 3.97Å; W209-F214 HydrophobicContact CG-CB 4.27Å; W209-F214 AromaticContact CG-CD2 3.89Å; W209-F214 HydrophobicContact CG-CD2 3.89Å; W209-F214 HydrophobicContact CG-CG 4.5Å; W209-F214 AromaticContact NE1-CD2 3.91Å; H210-F214 PolarHBondContact O-N 3.07Å; F214-L223 HydrophobicContact CD1-CB 3.54Å; F214-L223 HydrophobicContact CE1-CB 3.38Å; F214-L223 HydrophobicContact CE1-CD1 4.44Å; F214-L223 HydrophobicContact CG-CB 4.45Å; F214-L223 HydrophobicContact CZ-CB 4.18Å; F214-L223 HydrophobicContact CZ-CD1 4.48Å; F214-L223 PolarHBondContact O-N 2.91Å; F214-Y228 AromaticContact CE1-CD1 3.96Å; F214-Y228 HydrophobicContact CE1-CD1 3.96Å; F214-Y228 HydrophobicContact CE1-CE1 4.05Å; F214-Y228 HydrophobicContact CE1-CG 4.44Å; F214-Y228 AromaticContact CZ-CD1 3.72Å; F214-Y228 HydrophobicContact CZ-CD1 3.72Å; F214-Y228 HydrophobicContact CZ-CD2 4.04Å; F214-Y228 AromaticContact CZ-CE1 3.63Å; F214-Y228 HydrophobicContact CZ-CE1 3.63Å; F214-Y228 AromaticContact CZ-CE2 3.97Å; F214-Y228 HydrophobicContact CZ-CE2 3.97Å; F214-Y228 AromaticContact CZ-CG 3.94Å; F214-Y228 HydrophobicContact CZ-CG 3.94Å; F214-Y228 AromaticContact CZ-CZ 3.77Å; F214-P235 HydrophobicContact CD2-CB 4.49Å; F214-P235 HydrophobicContact CD2-CG 4.34Å; F214-P235 HydrophobicContact CE2-CB 3.82Å; F214-P235 HydrophobicContact CE2-CG 4.1Å; F214-P235 HydrophobicContact CZ-CB 4.23Å | ||
| 215 | C | 91.7 | Very high | 88.3 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -128.6 | 156.9 | -176.2 | 59.9 | 0 | 0 | 0 | 0 | 112 | H213 Q217 A220 G221 | H213-C215 VanDerWaalsContact C-N 3.33Å; H213-C215 PolarHBondContact O-N 3.45Å; C215-Q217 PolarHBondContact O-N 3.3Å; C215-A220 WeakPolarHBondContact CB-O 3.37Å; C215-G221 CarbonylContact C-O 3.58Å; C215-G221 WeakPolarHBondContact CA-O 3.45Å; C215-G221 WeakPolarHBondContact CB-O 3.43Å |
| 216 | C | 91.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | trans | -62 | 130.2 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | D218 C219 A220 G221 L223 P235 C237 | C216-D218 PolarHBondContact O-N 3.02Å; C216-D218 PolarHBondContact SG-N 3.13Å; C216-C219 WeakPolarHBondContact CB-SG 3.5Å; C216-C219 VanDerWaalsContact SG-SG 3.64Å; C216-A220 WeakPolarHBondContact O-CA 3.48Å; C216-A220 PolarHBondContact O-N 2.99Å; C216-G221 PolarHBondContact N-O 3.18Å; C216-L223 HydrophobicContact CB-CD1 4.31Å; C216-L223 HydrophobicContact CB-CD2 4.19Å; C216-L223 HydrophobicContact CB-CG 4.33Å; C216-P235 CarbonylContact C-O 3.59Å; C216-P235 WeakPolarHBondContact CA-O 3.44Å; C216-C237 HydrophobicContact CB-CB 4.11Å; C216-C237 PolarHBondContact SG-N 3.35Å | ||
| 217 | Q | 89.9 | Confident | 87.7 | Confident | 106 Ų | 106 | 62.8 Ų | 62.8 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.6 | 177.9 | -173.3 | 179.5 | 44.2 | 0 | 0 | 113.2 | C215 S234 P235 | C215-Q217 PolarHBondContact O-N 3.3Å; Q217-S234 PolarHBondContact NE2-OG 3.03Å; Q217-P235 PolarHBondContact N-O 3.1Å |
| 218 | D | 90.4 | Very high | 87.6 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -52.9 | -176.9 | -69.5 | -64.9 | 0 | 0 | 0 | 113.8 | C216 C236 C240 R244 | C216-D218 PolarHBondContact O-N 3.02Å; C216-D218 PolarHBondContact SG-N 3.13Å; D218-C236 PolarHBondContact OD2-SG 3.26Å; D218-C240 HydrophobicContact CB-CB 3.69Å; D218-C240 VanDerWaalsContact CB-SG 3.56Å; D218-C240 WeakPolarHBondContact OD2-CB 3.46Å; D218-R244 VanDerWaalsContact CG-CZ 3.42Å; D218-R244 IonicContact OD1-CZ 3.53Å; D218-R244 IonicContact OD1-NE 2.86Å; D218-R244 PolarHBondContact OD1-NE 3.26Å; D218-R244 IonicContact OD1-NH2 3.72Å; D218-R244 PolarHBondContact OD1-NH2 2.83Å; D218-R244 IonicContact OD2-CZ 3.46Å; D218-R244 IonicContact OD2-NE 3.58Å; D218-R244 PolarHBondContact OD2-NE 3.44Å; D218-R244 IonicContact OD2-NH1 2.61Å; D218-R244 IonicContact OD2-NH2 4Å; D218-R244 PolarHBondContact OD2-NH2 3.48Å; D218-R244 VanDerWaalsContact OD2-NH2 3.08Å |
| 219 | C | 92.5 | Very high | 87.3 | Confident | 72 Ų | 72 | 54 Ų | 54 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -2.1 | -171.8 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | C216 G221 | C216-C219 WeakPolarHBondContact CB-SG 3.5Å; C216-C219 VanDerWaalsContact SG-SG 3.64Å; C219-G221 PolarHBondContact O-N 3.47Å; C219-G221 PolarHBondContact SG-N 3.15Å |
| 220 | A | 91.3 | Very high | 86.9 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 60% | 0.603 | 36% | 0.355 | S | S | * | . | trans | 55 | 12.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C215 C216 | C215-A220 WeakPolarHBondContact CB-O 3.37Å; C216-A220 WeakPolarHBondContact O-CA 3.48Å; C216-A220 PolarHBondContact O-N 2.99Å | ||
| 221 | G | 89.4 | Confident | 86.3 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | trans | -70.5 | 142.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | C215 C216 C219 | C215-G221 CarbonylContact C-O 3.58Å; C215-G221 WeakPolarHBondContact CA-O 3.45Å; C215-G221 WeakPolarHBondContact CB-O 3.43Å; C216-G221 PolarHBondContact N-O 3.18Å; C219-G221 PolarHBondContact O-N 3.47Å; C219-G221 PolarHBondContact SG-N 3.15Å | ||
| 222 | P | 89.3 | Confident | 85.8 | Confident | 118 Ų | 118 | 55.4 Ų | 55.4 | 77% | 0.766 | 38% | 0.38 | S | S | * | . | B | Isolated β-bridge | trans | -65.5 | 138.6 | -179 | 27.8 | -34.8 | 0 | 0 | 0 | 111.5 | ||
| 223 | L | 88.3 | Confident | 85.4 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | trans | -107.8 | -1.3 | -177.2 | -66.9 | 174.3 | 0 | 0 | 0 | 113.6 | F214 C216 A225 G226 P235 C237 | F214-L223 HydrophobicContact CD1-CB 3.54Å; F214-L223 HydrophobicContact CE1-CB 3.38Å; F214-L223 HydrophobicContact CE1-CD1 4.44Å; F214-L223 HydrophobicContact CG-CB 4.45Å; F214-L223 HydrophobicContact CZ-CB 4.18Å; F214-L223 HydrophobicContact CZ-CD1 4.48Å; F214-L223 PolarHBondContact O-N 2.91Å; C216-L223 HydrophobicContact CB-CD1 4.31Å; C216-L223 HydrophobicContact CB-CD2 4.19Å; C216-L223 HydrophobicContact CB-CG 4.33Å; L223-A225 PolarHBondContact O-N 3.15Å; L223-G226 PolarHBondContact O-N 3.48Å; L223-P235 HydrophobicContact CD1-CB 3.59Å; L223-P235 HydrophobicContact CD1-CG 4.3Å; L223-C237 HydrophobicContact CD2-CB 3.6Å | ||
| 224 | G | 73.9 | Confident | 85.2 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 44% | 0.443 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -7.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 225 | A | 72.2 | Confident | 85 | Confident | 111 Ų | 111 | 50.1 Ų | 50.1 | 92% | 0.917 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | -3.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L223 | L223-A225 PolarHBondContact O-N 3.15Š|
| 226 | G | 76.5 | Confident | 84.9 | Confident | 36 Ų | 36 | 48.3 Ų | 48.3 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -121.1 | 166.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | L223 | L223-G226 PolarHBondContact O-N 3.48Š|
| 227 | P | 83.1 | Confident | 85 | Confident | 74 Ų | 74 | 49.2 Ų | 49.2 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | trans | -59.8 | 145.7 | 169 | 25.5 | -31.8 | 0 | 0 | 0 | 109.9 | P238 F340 | P227-P238 HydrophobicContact CB-CG 4.26Å; P227-P238 HydrophobicContact CG-CG 3.87Å; P227-P238 WeakPolarHBondContact O-CD 3.47Å; P227-P238 WeakPolarHBondContact O-CG 3.18Å; P227-F340 HydrophobicContact CB-CD1 3.58Å; P227-F340 HydrophobicContact CB-CE1 3.99Å; P227-F340 HydrophobicContact CB-CG 4.25Å | ||
| 228 | Y | 87.4 | Confident | 84.9 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | trans | -141.9 | 156.7 | 175.2 | 65.4 | -89.3 | 0 | 0 | 0 | 109.8 | A204 E205 F214 L230 P235 C236 G341 | A204-Y228 VanDerWaalsContact CB-OH 3.3Å; A204-Y228 WeakPolarHBondContact CB-OH 3.37Å; E205-Y228 PolarHBondContact OE1-OH 3.4Å; F214-Y228 AromaticContact CE1-CD1 3.96Å; F214-Y228 HydrophobicContact CE1-CD1 3.96Å; F214-Y228 HydrophobicContact CE1-CE1 4.05Å; F214-Y228 HydrophobicContact CE1-CG 4.44Å; F214-Y228 AromaticContact CZ-CD1 3.72Å; F214-Y228 HydrophobicContact CZ-CD1 3.72Å; F214-Y228 HydrophobicContact CZ-CD2 4.04Å; F214-Y228 AromaticContact CZ-CE1 3.63Å; F214-Y228 HydrophobicContact CZ-CE1 3.63Å; F214-Y228 AromaticContact CZ-CE2 3.97Å; F214-Y228 HydrophobicContact CZ-CE2 3.97Å; F214-Y228 AromaticContact CZ-CG 3.94Å; F214-Y228 HydrophobicContact CZ-CG 3.94Å; F214-Y228 AromaticContact CZ-CZ 3.77Å; Y228-L230 HydrophobicContact CD2-CD1 4.43Å; Y228-L230 HydrophobicContact CD2-CD2 4.37Å; Y228-L230 HydrophobicContact CD2-CG 4.01Å; Y228-L230 HydrophobicContact CE2-CD1 3.76Å; Y228-L230 HydrophobicContact CE2-CD2 4.18Å; Y228-L230 HydrophobicContact CE2-CG 3.81Å; Y228-P235 HydrophobicContact CD2-CB 4.4Å; Y228-C236 CarbonylContact C-O 3.55Å; Y228-C236 WeakPolarHBondContact CA-O 3.46Å; Y228-C236 WeakPolarHBondContact CB-O 3.21Å; Y228-G341 WeakPolarHBondContact CE1-O 3.37Å; Y228-G341 VanDerWaalsContact OH-CA 3.28Å; Y228-G341 WeakPolarHBondContact OH-CA 3.47Å | ||
| 229 | A | 86.4 | Confident | 84.9 | Confident | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -110.7 | 157.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P231 P235 C236 F241 F338 | A229-P231 WeakPolarHBondContact O-CD 3.49Å; A229-P235 CarbonylContact O-C 3.56Å; A229-P235 WeakPolarHBondContact O-CA 3.46Å; A229-C236 PolarHBondContact N-O 3.19Å; A229-C236 PolarHBondContact O-N 2.75Å; A229-F241 HydrophobicContact CB-CB 4.29Å; A229-F241 HydrophobicContact CB-CD2 3.55Å; A229-F241 HydrophobicContact CB-CE2 4.19Å; A229-F241 HydrophobicContact CB-CG 3.92Å; A229-F338 HydrophobicContact CB-CE1 4.05Å |
| 230 | L | 84 | Confident | 84.8 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 29% | 0.293 | 35% | 0.348 | S | S | . | . | trans | -122.2 | 59 | 178.1 | -70.2 | 157.8 | 0 | 0 | 0 | 112.4 | E205 Y228 G232 G233 S234 P235 | E205-L230 VanDerWaalsContact CD-CD1 3.42Å; E205-L230 HydrophobicContact CG-CD1 3.16Å; E205-L230 HydrophobicContact CG-CG 4.49Å; Y228-L230 HydrophobicContact CD2-CD1 4.43Å; Y228-L230 HydrophobicContact CD2-CD2 4.37Å; Y228-L230 HydrophobicContact CD2-CG 4.01Å; Y228-L230 HydrophobicContact CE2-CD1 3.76Å; Y228-L230 HydrophobicContact CE2-CD2 4.18Å; Y228-L230 HydrophobicContact CE2-CG 3.81Å; L230-G232 PolarHBondContact O-N 3.37Å; L230-G233 PolarHBondContact O-N 2.83Å; L230-G233 VanDerWaalsContact O-N 3.09Å; L230-S234 WeakPolarHBondContact CA-O 3.5Å; L230-P235 HydrophobicContact CD2-CB 3.91Å | ||
| 231 | P | 78.8 | Confident | 84.7 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 14% | 0.143 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -59.6 | 115.8 | 175.5 | 26.4 | -33.2 | 0 | 0 | 0 | 109.8 | A229 G233 S234 C236 F241 Y245 | A229-P231 WeakPolarHBondContact O-CD 3.49Å; P231-G233 PolarHBondContact O-N 3.36Å; P231-S234 WeakPolarHBondContact CD-O 3.47Å; P231-C236 HydrophobicContact CG-CB 3.85Å; P231-F241 HydrophobicContact CB-CD2 4.48Å; P231-F241 HydrophobicContact CB-CE2 4.26Å; P231-F241 HydrophobicContact CG-CD2 4.13Å; P231-F241 HydrophobicContact CG-CE2 4.4Å; P231-Y245 HydrophobicContact CB-CE2 4.1Å; P231-Y245 WeakPolarHBondContact CB-OH 3.36Å; P231-Y245 HydrophobicContact CG-CE2 4.5Å |
| 232 | G | 75.9 | Confident | 84.7 | Confident | 89 Ų | 89 | 46.8 Ų | 46.8 | 92% | 0.918 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | 64.4 | 22.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L230 | L230-G232 PolarHBondContact O-N 3.37Š|
| 233 | G | 79.8 | Confident | 84.6 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | 84.9 | 2.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L230 P231 | L230-G233 PolarHBondContact O-N 2.83Å; L230-G233 VanDerWaalsContact O-N 3.09Å; P231-G233 PolarHBondContact O-N 3.36Å |
| 234 | S | 84.9 | Confident | 84.4 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -104.7 | 134.7 | 173.3 | -67.2 | 0 | 0 | 0 | 0 | 110.8 | Q217 L230 P231 | Q217-S234 PolarHBondContact NE2-OG 3.03Å; L230-S234 WeakPolarHBondContact CA-O 3.5Å; P231-S234 WeakPolarHBondContact CD-O 3.47Å |
| 235 | P | 88.5 | Confident | 84.4 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.045 | 35% | 0.347 | C | S | . | . | trans | -72 | 135.5 | -173.9 | 31 | -36 | 0 | 0 | 0 | 111.2 | W209 F214 C216 Q217 L223 Y228 A229 L230 | W209-P235 HydrophobicContact CH2-CG 4.28Å; F214-P235 HydrophobicContact CD2-CB 4.49Å; F214-P235 HydrophobicContact CD2-CG 4.34Å; F214-P235 HydrophobicContact CE2-CB 3.82Å; F214-P235 HydrophobicContact CE2-CG 4.1Å; F214-P235 HydrophobicContact CZ-CB 4.23Å; C216-P235 CarbonylContact C-O 3.59Å; C216-P235 WeakPolarHBondContact CA-O 3.44Å; Q217-P235 PolarHBondContact N-O 3.1Å; L223-P235 HydrophobicContact CD1-CB 3.59Å; L223-P235 HydrophobicContact CD1-CG 4.3Å; Y228-P235 HydrophobicContact CD2-CB 4.4Å; A229-P235 CarbonylContact O-C 3.56Å; A229-P235 WeakPolarHBondContact O-CA 3.46Å; L230-P235 HydrophobicContact CD2-CB 3.91Å | ||
| 236 | C | 90.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -136.4 | 136.5 | -174.2 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | D218 Y228 A229 P231 F241 | D218-C236 PolarHBondContact OD2-SG 3.26Å; Y228-C236 CarbonylContact C-O 3.55Å; Y228-C236 WeakPolarHBondContact CA-O 3.46Å; Y228-C236 WeakPolarHBondContact CB-O 3.21Å; A229-C236 PolarHBondContact N-O 3.19Å; A229-C236 PolarHBondContact O-N 2.75Å; P231-C236 HydrophobicContact CG-CB 3.85Å; C236-F241 PolarHBondContact SG-N 2.84Å; C236-F241 VanDerWaalsContact SG-N 3.37Å |
| 237 | C | 91.6 | Very high | 83.3 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | trans | -74.2 | 157 | 176.2 | 74.7 | 0 | 0 | 0 | 0 | 110.7 | C216 L223 S239 C240 F241 | C216-C237 HydrophobicContact CB-CB 4.11Å; C216-C237 PolarHBondContact SG-N 3.35Å; L223-C237 HydrophobicContact CD2-CB 3.6Å; C237-S239 VanDerWaalsContact C-N 3.29Å; C237-S239 PolarHBondContact O-N 2.87Å; C237-C240 PolarHBondContact O-N 3.37Å; C237-C240 VanDerWaalsContact SG-CB 3.56Å; C237-C240 PolarHBondContact SG-N 3.21Å; C237-C240 VanDerWaalsContact SG-N 3.39Å; C237-C240 PolarHBondContact SG-SG 3.39Å; C237-F241 WeakPolarHBondContact O-CB 3.36Å; C237-F241 PolarHBondContact O-N 2.82Å | ||
| 238 | P | 88.6 | Confident | 81.9 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.9 | -40.3 | -177.4 | -23.6 | 32.9 | 0 | 0 | 0 | 112.8 | P227 F241 E242 | P227-P238 HydrophobicContact CB-CG 4.26Å; P227-P238 HydrophobicContact CG-CG 3.87Å; P227-P238 WeakPolarHBondContact O-CD 3.47Å; P227-P238 WeakPolarHBondContact O-CG 3.18Å; P238-F241 PolarHBondContact O-N 3.27Å; P238-E242 WeakPolarHBondContact O-CB 3.46Å; P238-E242 PolarHBondContact O-N 3.46Å |
| 239 | S | 90.1 | Very high | 80.2 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65 | -42.3 | 179.7 | -50 | 0 | 0 | 0 | 0 | 112.6 | C237 N243 | C237-S239 VanDerWaalsContact C-N 3.29Å; C237-S239 PolarHBondContact O-N 2.87Å; S239-N243 WeakPolarHBondContact O-CB 3.16Å; S239-N243 PolarHBondContact O-N 2.88Å; S239-N243 VanDerWaalsContact O-N 3.1Å; S239-N243 PolarHBondContact O-ND2 3.46Å |
| 240 | C | 91.4 | Very high | 78.4 | Confident | 21 Ų | 21 | 65 Ų | 65 | 14% | 0.142 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.9 | -36.9 | 176.7 | -70.9 | 0 | 0 | 0 | 0 | 111.6 | D218 C237 N243 R244 | D218-C240 HydrophobicContact CB-CB 3.69Å; D218-C240 VanDerWaalsContact CB-SG 3.56Å; D218-C240 WeakPolarHBondContact OD2-CB 3.46Å; C237-C240 PolarHBondContact O-N 3.37Å; C237-C240 VanDerWaalsContact SG-CB 3.56Å; C237-C240 PolarHBondContact SG-N 3.21Å; C237-C240 VanDerWaalsContact SG-N 3.39Å; C237-C240 PolarHBondContact SG-SG 3.39Å; C240-N243 PolarHBondContact O-N 2.82Å; C240-R244 WeakPolarHBondContact O-CG 3.39Å; C240-R244 PolarHBondContact O-N 3.24Å |
| 241 | F | 88.3 | Confident | 76.4 | Confident | 37 Ų | 37 | 70.8 Ų | 70.8 | 16% | 0.162 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.9 | -53 | 174.5 | -178.5 | -87.9 | 0 | 0 | 0 | 110.2 | A229 P231 C236 C237 P238 N243 R244 Y245 F338 | A229-F241 HydrophobicContact CB-CB 4.29Å; A229-F241 HydrophobicContact CB-CD2 3.55Å; A229-F241 HydrophobicContact CB-CE2 4.19Å; A229-F241 HydrophobicContact CB-CG 3.92Å; P231-F241 HydrophobicContact CB-CD2 4.48Å; P231-F241 HydrophobicContact CB-CE2 4.26Å; P231-F241 HydrophobicContact CG-CD2 4.13Å; P231-F241 HydrophobicContact CG-CE2 4.4Å; C236-F241 PolarHBondContact SG-N 2.84Å; C236-F241 VanDerWaalsContact SG-N 3.37Å; C237-F241 WeakPolarHBondContact O-CB 3.36Å; C237-F241 PolarHBondContact O-N 2.82Å; P238-F241 PolarHBondContact O-N 3.27Å; F241-N243 VanDerWaalsContact C-N 3.34Å; F241-N243 PolarHBondContact O-N 3.08Å; F241-R244 WeakPolarHBondContact O-CB 3.22Å; F241-R244 PolarHBondContact O-N 2.61Å; F241-Y245 HydrophobicContact CD1-CD2 4.09Å; F241-Y245 AromaticContact CD2-CD2 3.61Å; F241-Y245 HydrophobicContact CD2-CD2 3.61Å; F241-Y245 AromaticContact CD2-CE2 3.5Å; F241-Y245 HydrophobicContact CD2-CE2 3.5Å; F241-Y245 AromaticContact CE1-CD2 3.7Å; F241-Y245 HydrophobicContact CE1-CD2 3.7Å; F241-Y245 HydrophobicContact CE1-CE2 4.46Å; F241-Y245 HydrophobicContact CE1-CG 4.26Å; F241-Y245 AromaticContact CE2-CD2 3.2Å; F241-Y245 HydrophobicContact CE2-CD2 3.2Å; F241-Y245 AromaticContact CE2-CE2 3.09Å; F241-Y245 HydrophobicContact CE2-CE2 3.09Å; F241-Y245 HydrophobicContact CE2-CG 4.2Å; F241-Y245 AromaticContact CG-CD2 3.99Å; F241-Y245 HydrophobicContact CG-CD2 3.99Å; F241-Y245 HydrophobicContact CG-CE2 4.31Å; F241-Y245 AromaticContact CZ-CD2 3.16Å; F241-Y245 HydrophobicContact CZ-CD2 3.16Å; F241-Y245 AromaticContact CZ-CE2 3.58Å; F241-Y245 HydrophobicContact CZ-CE2 3.58Å; F241-Y245 AromaticContact CZ-CG 3.78Å; F241-Y245 HydrophobicContact CZ-CG 3.78Å; F241-Y245 WeakPolarHBondContact O-CD2 3.43Å; F241-Y245 PolarHBondContact O-N 3.23Å; F241-Y245 VanDerWaalsContact O-N 3.1Å; F241-F338 HydrophobicContact CD1-CE1 4.14Å; F241-F338 HydrophobicContact CD1-CZ 4.21Å; F241-F338 HydrophobicContact CD2-CE1 4.48Å; F241-F338 HydrophobicContact CD2-CZ 4.45Å; F241-F338 AromaticContact CE1-CE1 3.69Å; F241-F338 HydrophobicContact CE1-CE1 3.69Å; F241-F338 HydrophobicContact CE1-CE2 4.15Å; F241-F338 AromaticContact CE1-CZ 3.33Å; F241-F338 HydrophobicContact CE1-CZ 3.33Å; F241-F338 HydrophobicContact CE2-CE1 4.05Å; F241-F338 AromaticContact CE2-CZ 3.6Å; F241-F338 HydrophobicContact CE2-CZ 3.6Å; F241-F338 AromaticContact CZ-CE1 3.72Å; F241-F338 HydrophobicContact CZ-CE1 3.72Å; F241-F338 AromaticContact CZ-CE2 3.91Å; F241-F338 HydrophobicContact CZ-CE2 3.91Å; F241-F338 AromaticContact CZ-CZ 3.03Å; F241-F338 HydrophobicContact CZ-CZ 3.03Å |
| 242 | E | 88.6 | Confident | 74.5 | Confident | 105 Ų | 105 | 74.8 Ų | 74.8 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 179.6 | -176.6 | 163.4 | -142.7 | 0 | 0 | 111.4 | P238 R244 Y245 Q246 | P238-E242 WeakPolarHBondContact O-CB 3.46Å; P238-E242 PolarHBondContact O-N 3.46Å; E242-R244 VanDerWaalsContact C-N 3.3Å; E242-R244 PolarHBondContact O-N 3.18Å; E242-Y245 PolarHBondContact O-N 3.48Å; E242-Q246 HydrophobicContact CG-CG 3.6Å; E242-Q246 VanDerWaalsContact O-CB 3.25Å; E242-Q246 WeakPolarHBondContact O-CB 3.2Å; E242-Q246 WeakPolarHBondContact O-CG 3.42Å; E242-Q246 PolarHBondContact O-N 3.28Å; E242-Q246 PolarHBondContact OE1-NE2 3.43Å |
| 243 | N | 88.3 | Confident | 72.9 | Confident | 109 Ų | 109 | 79.4 Ų | 79.4 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.6 | -35.3 | 174.8 | -70.3 | -21 | 0 | 0 | 0 | 113.9 | S239 C240 F241 | S239-N243 WeakPolarHBondContact O-CB 3.16Å; S239-N243 PolarHBondContact O-N 2.88Å; S239-N243 VanDerWaalsContact O-N 3.1Å; S239-N243 PolarHBondContact O-ND2 3.46Å; C240-N243 PolarHBondContact O-N 2.82Å; F241-N243 VanDerWaalsContact C-N 3.34Å; F241-N243 PolarHBondContact O-N 3.08Å |
| 244 | R | 82.9 | Confident | 70.6 | Confident | 97 Ų | 97 | 86.3 Ų | 86.3 | 37% | 0.366 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.9 | -33.8 | 178.4 | -79.3 | -178.4 | 174.4 | -166.8 | 7.4 | 112.5 | D218 C240 F241 E242 | D218-R244 VanDerWaalsContact CG-CZ 3.42Å; D218-R244 IonicContact OD1-CZ 3.53Å; D218-R244 IonicContact OD1-NE 2.86Å; D218-R244 PolarHBondContact OD1-NE 3.26Å; D218-R244 IonicContact OD1-NH2 3.72Å; D218-R244 PolarHBondContact OD1-NH2 2.83Å; D218-R244 IonicContact OD2-CZ 3.46Å; D218-R244 IonicContact OD2-NE 3.58Å; D218-R244 PolarHBondContact OD2-NE 3.44Å; D218-R244 IonicContact OD2-NH1 2.61Å; D218-R244 IonicContact OD2-NH2 4Å; D218-R244 PolarHBondContact OD2-NH2 3.48Å; D218-R244 VanDerWaalsContact OD2-NH2 3.08Å; C240-R244 WeakPolarHBondContact O-CG 3.39Å; C240-R244 PolarHBondContact O-N 3.24Å; F241-R244 WeakPolarHBondContact O-CB 3.22Å; F241-R244 PolarHBondContact O-N 2.61Å; E242-R244 VanDerWaalsContact C-N 3.3Å; E242-R244 PolarHBondContact O-N 3.18Å |
| 245 | Y | 75 | Confident | 68.1 | Low | 117 Ų | 117 | 88.8 Ų | 88.8 | 46% | 0.459 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -113.1 | -10.3 | -168.6 | -63.7 | -77.5 | 0 | 0 | 0 | 115 | P231 F241 E242 S247 A248 | P231-Y245 HydrophobicContact CB-CE2 4.1Å; P231-Y245 WeakPolarHBondContact CB-OH 3.36Å; P231-Y245 HydrophobicContact CG-CE2 4.5Å; F241-Y245 HydrophobicContact CD1-CD2 4.09Å; F241-Y245 AromaticContact CD2-CD2 3.61Å; F241-Y245 HydrophobicContact CD2-CD2 3.61Å; F241-Y245 AromaticContact CD2-CE2 3.5Å; F241-Y245 HydrophobicContact CD2-CE2 3.5Å; F241-Y245 AromaticContact CE1-CD2 3.7Å; F241-Y245 HydrophobicContact CE1-CD2 3.7Å; F241-Y245 HydrophobicContact CE1-CE2 4.46Å; F241-Y245 HydrophobicContact CE1-CG 4.26Å; F241-Y245 AromaticContact CE2-CD2 3.2Å; F241-Y245 HydrophobicContact CE2-CD2 3.2Å; F241-Y245 AromaticContact CE2-CE2 3.09Å; F241-Y245 HydrophobicContact CE2-CE2 3.09Å; F241-Y245 HydrophobicContact CE2-CG 4.2Å; F241-Y245 AromaticContact CG-CD2 3.99Å; F241-Y245 HydrophobicContact CG-CD2 3.99Å; F241-Y245 HydrophobicContact CG-CE2 4.31Å; F241-Y245 AromaticContact CZ-CD2 3.16Å; F241-Y245 HydrophobicContact CZ-CD2 3.16Å; F241-Y245 AromaticContact CZ-CE2 3.58Å; F241-Y245 HydrophobicContact CZ-CE2 3.58Å; F241-Y245 AromaticContact CZ-CG 3.78Å; F241-Y245 HydrophobicContact CZ-CG 3.78Å; F241-Y245 WeakPolarHBondContact O-CD2 3.43Å; F241-Y245 PolarHBondContact O-N 3.23Å; F241-Y245 VanDerWaalsContact O-N 3.1Å; E242-Y245 PolarHBondContact O-N 3.48Å; Y245-S247 VanDerWaalsContact C-N 3.25Å; Y245-S247 PolarHBondContact O-N 3.1Å; Y245-A248 PolarHBondContact O-N 3.19Å |
| 246 | Q | 67.6 | Low | 66.1 | Low | 109 Ų | 109 | 94.2 Ų | 94.2 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -65.8 | -25 | 172.4 | -82.4 | -177.6 | -12.2 | 0 | 0 | 113.3 | E242 A248 | E242-Q246 HydrophobicContact CG-CG 3.6Å; E242-Q246 VanDerWaalsContact O-CB 3.25Å; E242-Q246 WeakPolarHBondContact O-CB 3.2Å; E242-Q246 WeakPolarHBondContact O-CG 3.42Å; E242-Q246 PolarHBondContact O-N 3.28Å; E242-Q246 PolarHBondContact OE1-NE2 3.43Å; Q246-A248 PolarHBondContact O-N 3.02Å |
| 247 | S | 57.4 | Low | 63.3 | Low | 101 Ų | 101 | 103.7 Ų | 103.7 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -75.9 | -3.4 | -179.8 | -51.2 | 0 | 0 | 0 | 0 | 114.6 | Y245 | Y245-S247 VanDerWaalsContact C-N 3.25Å; Y245-S247 PolarHBondContact O-N 3.1Å |
| 248 | A | 53.5 | Low | 60.4 | Low | 95 Ų | 95 | 105.8 Ų | 105.8 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -92.1 | -5.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y245 Q246 | Y245-A248 PolarHBondContact O-N 3.19Å; Q246-A248 PolarHBondContact O-N 3.02Å |
| 249 | G | 52.4 | Low | 57.9 | Low | 74 Ų | 74 | 113.1 Ų | 113.1 | 76% | 0.763 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -114.4 | -2.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 250 | S | 47.9 | Very low | 55.1 | Low | 84 Ų | 84 | 113.5 Ų | 113.5 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | trans | -127.3 | 67 | -174.5 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 251 | N | 42.9 | Very low | 52.4 | Low | 178 Ų | 178 | 117.6 Ų | 117.6 | 95% | 0.952 | 69% | 0.688 | S | S | * | * | trans | -97.7 | 80.9 | 142.4 | -83.8 | -8.2 | 0 | 0 | 0 | 107.2 | ||||
| 252 | S | 39.1 | Very low | 49.7 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | trans | -119.9 | 121.1 | 145.1 | 42 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 253 | E | 41.7 | Very low | 46.9 | Very low | 187 Ų | 187 | 122.9 Ų | 122.9 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | -54.1 | 131.4 | 172.1 | -65.3 | 161 | 122.4 | 0 | 0 | 109.1 | ||||
| 254 | E | 32.2 | Very low | 44 | Very low | 197 Ų | 197 | 120.8 Ų | 120.8 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | trans | -157.2 | 124.6 | 134.2 | -112.1 | 172.5 | 170.5 | 0 | 0 | 110.5 | ||||
| 255 | A | 31 | Very low | 41.4 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -81.4 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 256 | P | 46.6 | Very low | 39.3 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -92.9 | 137.6 | -153.1 | 35.8 | -33.1 | 0 | 0 | 0 | 114.1 | ||||
| 257 | E | 32.1 | Very low | 37.8 | Very low | 198 Ų | 198 | 122.4 Ų | 122.4 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -142.9 | 119.1 | 155.4 | -63.6 | -172.7 | 150.7 | 0 | 0 | 105.3 | ||||
| 258 | G | 30.5 | Very low | 36.6 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | cis | 102 | 69 | 29.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 259 | H | 36.9 | Very low | 36.3 | Very low | 204 Ų | 204 | 124.9 Ų | 124.9 | 94% | 0.944 | 80% | 0.798 | S | S | * | * | trans | -158.5 | 125.6 | 153.6 | -101.3 | -72.7 | 0 | 0 | 0 | 112.2 | ||||
| 260 | A | 31 | Very low | 35.2 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | -93.5 | 152.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 261 | S | 33.8 | Very low | 34.6 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | 172 | 125 | 117.8 | -83 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 262 | L | 32.4 | Very low | 33.8 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | 71.6 | 115.1 | 128.6 | -68.8 | 163.8 | 0 | 0 | 0 | 123.7 | |||||
| 263 | G | 28.7 | Very low | 33.4 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 95.1 | 129 | 135.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 264 | G | 29 | Very low | 32.8 | Very low | 66 Ų | 66 | 129.1 Ų | 129.1 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | cis | 173.6 | 177.8 | 3.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 265 | T | 28.7 | Very low | 32.7 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | 81 | 114.3 | 172.9 | 59.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 266 | G | 30.8 | Very low | 32.6 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -72.6 | -178.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 267 | P | 36.2 | Very low | 31.9 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | -143.6 | 172.7 | 66.8 | 35.9 | -16.1 | 0 | 0 | 0 | 115.8 | |||||
| 268 | D | 31.1 | Very low | 31.9 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -90.1 | -175.6 | 171.8 | -152.5 | 15.2 | 0 | 0 | 0 | 110.2 | ||||
| 269 | P | 46.5 | Very low | 32.1 | Very low | 100 Ų | 100 | 132 Ų | 132 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | -111.4 | -173.5 | -82.7 | 29.1 | -11.6 | 0 | 0 | 0 | 113.6 | |||||
| 270 | S | 30.3 | Very low | 31.8 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 90.8 | 100.1 | 157 | 75.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 271 | V | 35 | Very low | 31.8 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -147.9 | 114.9 | 143.8 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 272 | G | 27.3 | Very low | 31.7 | Very low | 72 Ų | 72 | 137.7 Ų | 137.7 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -74.5 | 141.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 273 | W | 28.8 | Very low | 31.6 | Very low | 235 Ų | 235 | 136.8 Ų | 136.8 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -112 | 88.2 | 171.7 | -75.8 | 25.2 | 0 | 0 | 0 | 109 | ||||
| 274 | N | 29 | Very low | 31.5 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -77.5 | 120.7 | 152.5 | -74.2 | -40.6 | 0 | 0 | 0 | 107.3 | ||||
| 275 | R | 32 | Very low | 31.5 | Very low | 239 Ų | 239 | 150.1 Ų | 150.1 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -139.2 | 103.3 | 158.8 | -165.3 | 167.1 | -79.2 | -176.4 | -3.6 | 109.3 | ||||
| 276 | A | 28.8 | Very low | 31.5 | Very low | 90 Ų | 90 | 150.8 Ų | 150.8 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 139.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 277 | C | 31.9 | Very low | 31.4 | Very low | 137 Ų | 137 | 151 Ų | 151 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 119 | 164.7 | -118.9 | 0 | 0 | 0 | 0 | 107.6 | ||
| 278 | S | 32 | Very low | 31.3 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 156.9 | 177.1 | -58.2 | 0 | 0 | 0 | 0 | 112 | ||
| 279 | D | 33.4 | Very low | 31.1 | Very low | 158 Ų | 158 | 153.7 Ų | 153.7 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 136.4 | -179.7 | -58.8 | -62.8 | 0 | 0 | 0 | 115.1 | ||
| 280 | D | 31.5 | Very low | 30.2 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -117.6 | 117.9 | 157.7 | -94.7 | -38.9 | 0 | 0 | 0 | 110.4 | ||||
| 281 | K | 30.8 | Very low | 30.1 | Very low | 200 Ų | 200 | 154.1 Ų | 154.1 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | -96.9 | 103.9 | -177.8 | -155.6 | -176.6 | -168.5 | -175.5 | 0 | 107.7 | ||||
| 282 | I | 31.8 | Very low | 29.7 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -86 | 119.8 | 174.9 | -66.6 | -165.2 | 0 | 0 | 0 | 110.6 | ||||
| 283 | I | 30.3 | Very low | 29.7 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 77% | 0.774 | 83% | 0.825 | S | S | * | * | trans | -74.6 | 127.1 | 172.8 | -63.7 | -179.2 | 0 | 0 | 0 | 109 | ||||
| 284 | F | 25.7 | Very low | 29.7 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -108.9 | 137.4 | 163.1 | -123.9 | -92.4 | 0 | 0 | 0 | 110.2 | ||||
| 285 | R | 29.4 | Very low | 29.5 | Very low | 232 Ų | 232 | 146.4 Ų | 146.4 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -90.2 | 123 | -168.7 | 179.6 | 166.3 | 65.8 | -164.2 | 2.6 | 110.3 | ||||
| 286 | D | 28.9 | Very low | 29.3 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -68.9 | 139.5 | 171.9 | -75.2 | -46.2 | 0 | 0 | 0 | 112.3 | ||||
| 287 | G | 29.3 | Very low | 29.2 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -137.3 | 120.1 | 167 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 288 | L | 32.3 | Very low | 28.9 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -65.1 | 154.2 | -176.4 | -79.8 | 106.2 | 0 | 0 | 0 | 115 | ||||
| 289 | F | 27.3 | Very low | 29.3 | Very low | 194 Ų | 194 | 142 Ų | 142 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | 170.9 | 105.7 | 113.9 | -83.1 | -64.9 | 0 | 0 | 0 | 108.5 | |||||
| 290 | S | 27.8 | Very low | 29.6 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | 77 | 108.1 | 92.8 | -75.4 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 291 | T | 27.6 | Very low | 29.5 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | 48.5 | 133.8 | 133.1 | 48.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 292 | V | 28.2 | Very low | 30.1 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | -173.5 | 175.4 | 63.1 | -79.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 293 | A | 26.8 | Very low | 29.8 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | -91.7 | 161.9 | -165 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 294 | S | 27.8 | Very low | 29.7 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 58.4 | 123.4 | 137 | -64.1 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 295 | S | 26.7 | Very low | 29.8 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | 82.8 | 132.9 | 126.6 | -55.7 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 296 | T | 25.8 | Very low | 29.7 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | 84.6 | 124.9 | 136.1 | 26.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 297 | L | 26.8 | Very low | 29.7 | Very low | 169 Ų | 169 | 121.2 Ų | 121.2 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | trans | 68.2 | 127.1 | 133.3 | -72.5 | 159.2 | 0 | 0 | 0 | 122.3 | ||||
| 298 | G | 26 | Very low | 29.7 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 130.3 | 121.6 | 131.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 299 | P | 41.2 | Very low | 29.6 | Very low | 125 Ų | 125 | 127 Ų | 127 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -92.2 | -164.2 | 177.2 | 42.9 | -36.1 | 0 | 0 | 0 | 110.5 | ||||
| 300 | P | 39.7 | Very low | 29.7 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | cis | -145.8 | 170.1 | 11.7 | 43.2 | -22 | 0 | 0 | 0 | 118.6 | ||||
| 301 | S | 28.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 44.1 | 171.9 | 130.8 | -62.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 302 | P | 43.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | cis | -139.8 | -160.9 | -42.4 | 38.7 | -19.7 | 0 | 0 | 0 | 112.5 | ||||
| 303 | A | 25.8 | Very low | 30.9 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 96.8 | 136.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 304 | S | 28.5 | Very low | 30.9 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | cis | -177.6 | 150.4 | 8 | 32.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 305 | K | 27.3 | Very low | 31.7 | Very low | 212 Ų | 212 | 134.5 Ų | 134.5 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | trans | 55.7 | 142.8 | 139.6 | -63.1 | 174.4 | 177.7 | -177.1 | 0 | 118.3 | ||||
| 306 | G | 28.8 | Very low | 31.7 | Very low | 61 Ų | 61 | 133.2 Ų | 133.2 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | cis | -171.3 | 159.3 | 11.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 307 | Q | 28.7 | Very low | 32 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | 52.7 | 125.5 | 115.6 | -70 | 178.2 | -76.3 | 0 | 0 | 114.7 | |||||
| 308 | D | 28.6 | Very low | 33.1 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | cis | -162.4 | 143.7 | 49.6 | -114.4 | -54.5 | 0 | 0 | 0 | 108.7 | ||||
| 309 | R | 30.6 | Very low | 33.3 | Very low | 216 Ų | 216 | 136.9 Ų | 136.9 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | 35.6 | 122.9 | 105.4 | -59.5 | -173.8 | 157 | -165.8 | -5.3 | 114.2 | |||||
| 310 | D | 29.5 | Very low | 32.9 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | -171.4 | 172.1 | 64.6 | -122.5 | -56.2 | 0 | 0 | 0 | 112.9 | |||||
| 311 | R | 30.1 | Very low | 32.5 | Very low | 223 Ų | 223 | 139.3 Ų | 139.3 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -92.9 | -165.1 | -165.9 | -157.3 | -158.1 | 162 | 169.1 | -7.3 | 112.9 | ||||
| 312 | P | 49.6 | Very low | 32.7 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 57% | 0.565 | 76% | 0.762 | S | S | * | * | -112.8 | -179.4 | -101.6 | 41.1 | -25.1 | 0 | 0 | 0 | 115.4 | |||||
| 313 | Q | 28.5 | Very low | 32.2 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | 177.2 | 137.5 | 125.1 | -94.7 | 168.6 | 30.3 | 0 | 0 | 113.5 | |||||
| 314 | T | 26.8 | Very low | 33 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -72.1 | -172.4 | 163.7 | -4.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 315 | P | 43.9 | Very low | 33.7 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -138.5 | -179.9 | -12.1 | 32.7 | -10 | 0 | 0 | 0 | 115.1 | ||||
| 316 | G | 27.8 | Very low | 34.2 | Very low | 77 Ų | 77 | 140.7 Ų | 140.7 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 168.8 | 95.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 317 | N | 31.7 | Very low | 34.4 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -85.1 | 174 | 156.8 | -129.8 | -13.7 | 0 | 0 | 0 | 107.7 | ||||
| 318 | P | 48.9 | Very low | 34.7 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | cis | -145.5 | -162.2 | 24.4 | 33.8 | -7.5 | 0 | 0 | 0 | 115.2 | ||||
| 319 | K | 30.4 | Very low | 35.1 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | 93.4 | 131.7 | 154.9 | -86 | -177.6 | 168.1 | -143.7 | 0 | 116 | ||||
| 320 | E | 33.7 | Very low | 35.2 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | cis | -158.6 | 149.9 | 20 | -55.4 | -172.6 | 133 | 0 | 0 | 110.9 | ||||
| 321 | D | 30.4 | Very low | 35.8 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | 30.3 | 142.6 | 129.7 | -52.1 | -38.9 | 0 | 0 | 0 | 119.5 | |||||
| 322 | S | 34.5 | Very low | 36.1 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | cis | 177.1 | 139.9 | 20.8 | 27.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 323 | F | 31.6 | Very low | 35.7 | Very low | 200 Ų | 200 | 130.4 Ų | 130.4 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | 49.8 | 122.9 | 140.7 | -67.7 | -81.6 | 0 | 0 | 0 | 124.9 | ||||
| 324 | C | 43.3 | Very low | 36.3 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -53.6 | 151.2 | 144.3 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 325 | P | 43.1 | Very low | 36.9 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | -152.3 | 173.9 | 107.9 | 34.1 | -14.9 | 0 | 0 | 0 | 116.2 | |||||
| 326 | T | 36.9 | Very low | 37 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | 110.8 | 85.3 | 159.8 | 73.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 327 | C | 34.2 | Very low | 37.4 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -39 | 134.6 | 141.1 | 49.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 328 | S | 33.8 | Very low | 38.2 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -120.9 | 104.2 | 148.6 | -71.8 | 0 | 0 | 0 | 0 | 106.1 | S330 | S328-S330 PolarHBondContact O-N 3.42Š| ||
| 329 | S | 37 | Very low | 37.9 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -64.1 | 121.2 | 162.1 | -62.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 330 | S | 34.3 | Very low | 39.1 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | -114.9 | 104 | 154.8 | -70.8 | 0 | 0 | 0 | 0 | 107.1 | S328 E332 | S328-S330 PolarHBondContact O-N 3.42Å; S330-E332 PolarHBondContact O-N 3.49Å | ||
| 331 | S | 41.7 | Very low | 40.2 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | -69.7 | 107.4 | 157.7 | -70.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 332 | E | 36.1 | Very low | 41.4 | Very low | 161 Ų | 161 | 122.1 Ų | 122.1 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | -105.4 | 105.5 | 164.9 | -57.3 | -164.5 | 121.9 | 0 | 0 | 106.4 | S330 E334 | S330-E332 PolarHBondContact O-N 3.49Å; E332-E334 PolarHBondContact O-N 2.97Å | ||
| 333 | S | 42 | Very low | 42.2 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | trans | -68.4 | 109.1 | 165.5 | 30.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 334 | E | 39.8 | Very low | 42.5 | Very low | 155 Ų | 155 | 121.2 Ų | 121.2 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | trans | -65.1 | 125.2 | 168.7 | -59.9 | -71.3 | 119.4 | 0 | 0 | 108.8 | E332 | E332-E334 PolarHBondContact O-N 2.97Š| ||
| 335 | P | 39.8 | Very low | 41.9 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 71% | 0.714 | 69% | 0.687 | S | S | * | * | trans | -66.6 | 141.5 | 154.3 | 30.4 | -29.9 | 0 | 0 | 0 | 107.1 | G337 | P335-G337 VanDerWaalsContact C-N 3.31Å; P335-G337 WeakPolarHBondContact O-CA 3.19Å; P335-G337 PolarHBondContact O-N 3.48Å | ||
| 336 | E | 46.9 | Very low | 41.8 | Very low | 198 Ų | 198 | 118.6 Ų | 118.6 | 93% | 0.925 | 68% | 0.682 | S | S | * | * | trans | -39.4 | 93 | 177.4 | -112.2 | 103.5 | 173.9 | 0 | 0 | 111.6 | F338 | E336-F338 PolarHBondContact O-N 3.01Š| ||
| 337 | G | 35.8 | Very low | 42 | Very low | 57 Ų | 57 | 117.6 Ų | 117.6 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | trans | -87.8 | 115.3 | -172 | 0 | 0 | 0 | 0 | 0 | 107.5 | P335 F339 | P335-G337 VanDerWaalsContact C-N 3.31Å; P335-G337 WeakPolarHBondContact O-CA 3.19Å; P335-G337 PolarHBondContact O-N 3.48Å; G337-F339 PolarHBondContact O-N 3.16Å | ||
| 338 | F | 47.1 | Very low | 42.3 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 54% | 0.539 | 65% | 0.654 | S | S | . | * | trans | -58.9 | 107.5 | 175.4 | -118.4 | -96.3 | 0 | 0 | 0 | 110.1 | A229 F241 E336 F340 | A229-F338 HydrophobicContact CB-CE1 4.05Å; F241-F338 HydrophobicContact CD1-CE1 4.14Å; F241-F338 HydrophobicContact CD1-CZ 4.21Å; F241-F338 HydrophobicContact CD2-CE1 4.48Å; F241-F338 HydrophobicContact CD2-CZ 4.45Å; F241-F338 AromaticContact CE1-CE1 3.69Å; F241-F338 HydrophobicContact CE1-CE1 3.69Å; F241-F338 HydrophobicContact CE1-CE2 4.15Å; F241-F338 AromaticContact CE1-CZ 3.33Å; F241-F338 HydrophobicContact CE1-CZ 3.33Å; F241-F338 HydrophobicContact CE2-CE1 4.05Å; F241-F338 AromaticContact CE2-CZ 3.6Å; F241-F338 HydrophobicContact CE2-CZ 3.6Å; F241-F338 AromaticContact CZ-CE1 3.72Å; F241-F338 HydrophobicContact CZ-CE1 3.72Å; F241-F338 AromaticContact CZ-CE2 3.91Å; F241-F338 HydrophobicContact CZ-CE2 3.91Å; F241-F338 AromaticContact CZ-CZ 3.03Å; F241-F338 HydrophobicContact CZ-CZ 3.03Å; E336-F338 PolarHBondContact O-N 3.01Å; F338-F340 HydrophobicContact CD1-CZ 4.41Å; F338-F340 PolarHBondContact O-N 3Å | ||
| 339 | F | 44.6 | Very low | 42.3 | Very low | 145 Ų | 145 | 119.8 Ų | 119.8 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | trans | -88.3 | 101.8 | 178.6 | -165.8 | -101 | 0 | 0 | 0 | 109.6 | G337 G341 | G337-F339 PolarHBondContact O-N 3.16Å; F339-G341 PolarHBondContact O-N 3Å | ||
| 340 | F | 54.7 | Low | 42.2 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 46% | 0.461 | 65% | 0.646 | S | S | . | * | trans | -78.1 | 112.4 | 165 | -67.8 | -72.2 | 0 | 0 | 0 | 108.1 | P227 F338 | P227-F340 HydrophobicContact CB-CD1 3.58Å; P227-F340 HydrophobicContact CB-CE1 3.99Å; P227-F340 HydrophobicContact CB-CG 4.25Å; F338-F340 HydrophobicContact CD1-CZ 4.41Å; F338-F340 PolarHBondContact O-N 3Å | ||
| 341 | G | 56.2 | Low | 42.2 | Very low | 11 Ų | 11 | 119.3 Ų | 119.3 | 11% | 0.113 | 65% | 0.648 | C | S | . | * | trans | -66.1 | 148.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E205 Y228 F339 | E205-G341 VanDerWaalsContact OE1-CA 3.28Å; E205-G341 WeakPolarHBondContact OE1-CA 3.25Å; Y228-G341 WeakPolarHBondContact CE1-O 3.37Å; Y228-G341 VanDerWaalsContact OH-CA 3.28Å; Y228-G341 WeakPolarHBondContact OH-CA 3.47Å; F339-G341 PolarHBondContact O-N 3Å | ||
| 342 | Q | 56 | Low | 41.8 | Very low | 164 Ų | 164 | 122.1 Ų | 122.1 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | trans | -114.8 | 147.9 | -177.3 | -65.4 | -176 | -10.1 | 0 | 0 | 111.4 | ||||
| 343 | R | 51 | Low | 41.6 | Very low | 168 Ų | 168 | 120.9 Ų | 120.9 | 63% | 0.634 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 139 | 173.3 | -178.2 | -179.6 | -178.4 | -137.2 | 4.3 | 110.8 | ||
| 344 | L | 37.5 | Very low | 41.3 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 59% | 0.586 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 142.4 | 162.8 | -65.1 | 179.6 | 0 | 0 | 0 | 111.2 | ||
| 345 | P | 32.2 | Very low | 41 | Very low | 119 Ų | 119 | 124 Ų | 124 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 133 | 178.3 | 32.2 | -29.5 | 0 | 0 | 0 | 112.8 | ||
| 346 | G | 41.2 | Very low | 40.5 | Very low | 61 Ų | 61 | 123.6 Ų | 123.6 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | trans | 111.7 | 151.8 | 145.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 347 | P | 39.3 | Very low | 39.9 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 149.6 | -162.7 | 30.5 | -34.6 | 0 | 0 | 0 | 114.2 | ||
| 348 | W | 41 | Very low | 39.7 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 27% | 0.273 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 140 | 179.1 | 72.1 | -51.2 | 0 | 0 | 0 | 113.5 | T350 | W348-T350 HydrophobicContact CE3-CG2 3.98Å; W348-T350 HydrophobicContact CH2-CG2 3.19Å; W348-T350 HydrophobicContact CZ2-CG2 3.91Å; W348-T350 HydrophobicContact CZ3-CG2 3.25Å |
| 349 | K | 34.8 | Very low | 39.1 | Very low | 203 Ų | 203 | 128.9 Ų | 128.9 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 126.5 | 157.9 | -62.4 | -175.4 | -178.5 | -176.5 | 0 | 107.8 | ||
| 350 | T | 35 | Very low | 38.7 | Very low | 87 Ų | 87 | 129 Ų | 129 | 53% | 0.534 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 146.3 | 168.2 | 34.9 | 0 | 0 | 0 | 0 | 110.6 | W348 E352 | W348-T350 HydrophobicContact CE3-CG2 3.98Å; W348-T350 HydrophobicContact CH2-CG2 3.19Å; W348-T350 HydrophobicContact CZ2-CG2 3.91Å; W348-T350 HydrophobicContact CZ3-CG2 3.25Å; T350-E352 PolarHBondContact O-N 2.94Å |
| 351 | P | 34 | Very low | 37.7 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 69% | 0.688 | S | S | * | * | trans | -62.8 | 111.4 | 164.6 | -13.1 | 26.9 | 0 | 0 | 0 | 108.9 | N353 | P351-N353 PolarHBondContact O-N 3.1Š| ||
| 352 | E | 32.6 | Very low | 36.8 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 85% | 0.85 | 72% | 0.715 | S | S | * | * | trans | -67.1 | 116 | 169.8 | -110.6 | 177 | 146.3 | 0 | 0 | 109.5 | T350 | T350-E352 PolarHBondContact O-N 2.94Š| ||
| 353 | N | 31.4 | Very low | 35.9 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | trans | 34.2 | 87.6 | 141 | -140.2 | -2.9 | 0 | 0 | 0 | 117.8 | P351 Q355 | P351-N353 PolarHBondContact O-N 3.1Å; N353-Q355 PolarHBondContact O-N 2.99Å | ||
| 354 | L | 36.1 | Very low | 35.4 | Very low | 151 Ų | 151 | 140 Ų | 140 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -80.1 | 96.8 | 160.8 | -73.3 | 168.7 | 0 | 0 | 0 | 110.1 | ||||
| 355 | Q | 33 | Very low | 35.4 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | 179 | 113.8 | 135.1 | -106.7 | 175.7 | -24.5 | 0 | 0 | 112.2 | N353 | N353-Q355 PolarHBondContact O-N 2.99Š| ||
| 356 | A | 31.1 | Very low | 35.4 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | 176.7 | 127.4 | 113.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 357 | D | 34.1 | Very low | 35.6 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | -47.8 | 147.1 | 168.9 | -83 | -62.4 | 0 | 0 | 0 | 114.3 | ||||
| 358 | D | 31.3 | Very low | 35.4 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | 175.6 | 135.3 | 89.2 | -153.9 | 17.1 | 0 | 0 | 0 | 112.3 | |||||
| 359 | R | 34.9 | Very low | 35.3 | Very low | 210 Ų | 210 | 153.1 Ų | 153.1 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | 51.7 | 109 | 149.3 | -76.8 | 161.6 | -151.3 | -113 | 0.6 | 123.6 | ||||
| 360 | D | 35.6 | Very low | 35.3 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | 81.5 | 143.4 | 108.8 | -145.7 | 7.8 | 0 | 0 | 0 | 122.1 | |||||
| 361 | I | 33.4 | Very low | 35.3 | Very low | 140 Ų | 140 | 153.9 Ų | 153.9 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | 96.8 | 87.9 | 160.9 | -44.1 | 173.8 | 0 | 0 | 0 | 118.4 | ||||
| 362 | S | 37.4 | Very low | 35.4 | Very low | 96 Ų | 96 | 156.1 Ų | 156.1 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | 47.2 | 130.6 | 110.9 | -156.3 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 363 | R | 38.1 | Very low | 35.6 | Very low | 227 Ų | 227 | 154.6 Ų | 154.6 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | 78.1 | 116.8 | 157.3 | -74.7 | 169.6 | 176.5 | 174.8 | -0.4 | 117.7 | ||||
| 364 | K | 40.5 | Very low | 35.8 | Very low | 215 Ų | 215 | 155.9 Ų | 155.9 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | -146 | 141.5 | 104.4 | -61.3 | -163.5 | -177.7 | 170.1 | 0 | 112 | |||||
| 365 | H | 35.9 | Very low | 35.8 | Very low | 170 Ų | 170 | 156.2 Ų | 156.2 | 79% | 0.787 | 82% | 0.82 | S | S | * | * | trans | -46.1 | 147.9 | 175.8 | -124.3 | -114.2 | 0 | 0 | 0 | 115.2 | T367 | H365-T367 PolarHBondContact CE1-OG1 3.35Å; H365-T367 VanDerWaalsContact CE1-OG1 3.26Å; H365-T367 PolarHBondContact ND1-OG1 3.36Å | ||
| 366 | C | 32.3 | Very low | 36 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 90% | 0.899 | 82% | 0.817 | S | S | * | * | trans | -138.3 | 123.3 | 141 | -158.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 367 | T | 45.2 | Very low | 36.4 | Very low | 91 Ų | 91 | 158.2 Ų | 158.2 | 56% | 0.558 | 82% | 0.816 | S | S | * | * | trans | -103.2 | 141.2 | 173.8 | -53.9 | 0 | 0 | 0 | 0 | 106.2 | H365 | H365-T367 PolarHBondContact CE1-OG1 3.35Å; H365-T367 VanDerWaalsContact CE1-OG1 3.26Å; H365-T367 PolarHBondContact ND1-OG1 3.36Å | ||
| 368 | I | 34.9 | Very low | 36.6 | Very low | 151 Ų | 151 | 158.1 Ų | 158.1 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | trans | 142.4 | 120.5 | 145.6 | -72 | 160.1 | 0 | 0 | 0 | 111.4 | ||||
| 369 | C | 39.6 | Very low | 37.1 | Very low | 197 Ų | 197 | 161.7 Ų | 161.7 | 100% | 1.331 | 83% | 0.829 | S | S | * | * | trans | 61.9 | 0 | 178.1 | 13.1 | 0 | 0 | 0 | 0 | 119 |
Retrieved 369 of 369 residues in 145.8 ms
(Link to these results)