| 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 | 28.8 | Very low | 27 | Very low | 248 Ų | 248 | 136.3 Ų | 136.3 | 100% | 1.222 | 69% | 0.693 | S | S | * | * | 0 | 111.6 | 0 | -68.3 | 176.7 | 175.8 | 0 | 0 | 107.8 | |||||
| 2 | M | 24.1 | Very low | 27.1 | Very low | 183 Ų | 183 | 138 Ų | 138 | 90% | 0.901 | 69% | 0.692 | S | S | * | * | trans | -119.8 | 126 | 177 | -68 | 174.2 | 177.1 | 0 | 0 | 106.9 | ||||
| 3 | E | 27.4 | Very low | 27.2 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 91% | 0.907 | 70% | 0.697 | S | S | * | * | trans | -104.8 | 106.5 | 169.7 | -72.1 | -162.4 | 132.7 | 0 | 0 | 109.4 | S5 | E3-S5 PolarHBondContact O-N 3.37Š| ||
| 4 | D | 26.2 | Very low | 27.1 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -66.7 | 115.7 | 174.6 | -73.7 | -57.8 | 0 | 0 | 0 | 110.6 | H6 | D4-H6 PolarHBondContact O-N 3.15Š| ||
| 5 | S | 27 | Very low | 27 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | trans | -77 | 59.1 | 176.4 | 23.2 | 0 | 0 | 0 | 0 | 111.2 | E3 F7 | E3-S5 PolarHBondContact O-N 3.37Å; S5-F7 PolarHBondContact O-N 3.02Å | ||
| 6 | H | 27.5 | Very low | 27 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 64% | 0.644 | 71% | 0.705 | S | S | * | * | trans | -64.1 | 101.7 | 167.3 | -80.1 | -78.6 | 0 | 0 | 0 | 109.6 | D4 N8 | D4-H6 PolarHBondContact O-N 3.15Å; H6-N8 VanDerWaalsContact C-N 3.27Å; H6-N8 PolarHBondContact O-N 3.19Å | ||
| 7 | F | 24.8 | Very low | 27 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 83% | 0.833 | 70% | 0.704 | S | S | * | * | trans | -69.8 | 84 | 174.4 | -168.6 | -95.9 | 0 | 0 | 0 | 109.9 | S5 S9 | S5-F7 PolarHBondContact O-N 3.02Å; F7-S9 VanDerWaalsContact C-N 3.34Å; F7-S9 PolarHBondContact O-N 3.38Å | ||
| 8 | N | 24.5 | Very low | 27.2 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 42% | 0.422 | 71% | 0.711 | S | S | . | * | trans | -74.6 | 84.1 | -175.7 | -163.9 | 6.3 | 0 | 0 | 0 | 111.4 | H6 S10 | H6-N8 VanDerWaalsContact C-N 3.27Å; H6-N8 PolarHBondContact O-N 3.19Å; N8-S10 PolarHBondContact O-N 3.04Å; N8-S10 PolarHBondContact OD1-OG 3.45Å | ||
| 9 | S | 29.3 | Very low | 27.3 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 48% | 0.483 | 71% | 0.708 | S | S | . | * | trans | -77.8 | 60.5 | 180 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | F7 Y318 | F7-S9 VanDerWaalsContact C-N 3.34Å; F7-S9 PolarHBondContact O-N 3.38Å; S9-Y318 PolarHBondContact OG-OH 3.16Å | ||
| 10 | S | 28.4 | Very low | 27.4 | Very low | 54 Ų | 54 | 136.9 Ų | 136.9 | 38% | 0.378 | 71% | 0.712 | S | S | . | * | trans | -141.5 | 30.9 | 175.7 | 75.6 | 0 | 0 | 0 | 0 | 113.6 | N8 | N8-S10 PolarHBondContact O-N 3.04Å; N8-S10 PolarHBondContact OD1-OG 3.45Å | ||
| 11 | Y | 29 | Very low | 27.4 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 45% | 0.447 | 72% | 0.715 | S | S | . | * | trans | -121.7 | 141.2 | 175.4 | -71.5 | -77.5 | 0 | 0 | 0 | 111.6 | ||||
| 12 | F | 28.8 | Very low | 27.4 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 69% | 0.689 | 70% | 0.696 | S | S | * | * | trans | 70.9 | 128.6 | -169 | -62.6 | -93.7 | 0 | 0 | 0 | 113.7 | ||||
| 13 | W | 27.6 | Very low | 27.9 | Very low | 199 Ų | 199 | 131.7 Ų | 131.7 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | cis | -125.3 | 125.3 | 30.7 | -60.3 | 72 | 0 | 0 | 0 | 113.6 | ||||
| 14 | S | 25.7 | Very low | 28.2 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 124.2 | 149.6 | 53.4 | 0 | 0 | 0 | 0 | 107.2 | L16 | S14-L16 PolarHBondContact O-N 2.77Š|
| 15 | H | 26.2 | Very low | 28.4 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 131.6 | 174.4 | -71.5 | -97.3 | 0 | 0 | 0 | 109.6 | ||
| 16 | L | 26.8 | Very low | 28.7 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 137 | 155.3 | -82.7 | 83.3 | 0 | 0 | 0 | 107.1 | S14 T18 | S14-L16 PolarHBondContact O-N 2.77Å; L16-T18 PolarHBondContact O-N 3.19Å |
| 17 | P | 27.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 69% | 0.688 | 71% | 0.708 | S | S | * | * | trans | -67.8 | 112.5 | 168.8 | -15.8 | 30.1 | 0 | 0 | 0 | 109.4 | V19 | P17-V19 PolarHBondContact O-N 2.92Š| ||
| 18 | T | 29.6 | Very low | 29.8 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 83% | 0.828 | 71% | 0.707 | S | S | * | * | trans | -72.3 | 107 | 162.9 | -57.8 | 0 | 0 | 0 | 0 | 107.5 | L16 | L16-T18 PolarHBondContact O-N 3.19Š| ||
| 19 | V | 30 | Very low | 30.3 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 66% | 0.661 | 72% | 0.724 | S | S | * | * | trans | -71.9 | 129.3 | 171 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | P17 T21 | P17-V19 PolarHBondContact O-N 2.92Å; V19-T21 PolarHBondContact O-N 3.09Å | ||
| 20 | P | 28.6 | Very low | 30.5 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | -72.3 | 113 | 173.1 | -11.8 | 27.4 | 0 | 0 | 0 | 109.9 | ||||
| 21 | T | 26.9 | Very low | 31.1 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -99.6 | 95.3 | 170.8 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | V19 | V19-T21 PolarHBondContact O-N 3.09Š| ||
| 22 | Q | 29.3 | Very low | 31.6 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | -135.1 | 144.8 | 162 | -87.9 | -66.6 | -4.5 | 0 | 0 | 108.3 | ||||
| 23 | L | 34.8 | Very low | 31.9 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 58.7 | 88.7 | -169 | -91.1 | 70.5 | 0 | 0 | 0 | 115.5 | ||
| 24 | E | 33.4 | Very low | 32.3 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | 169.1 | 99.4 | 113.5 | -92.6 | -175.9 | 178.1 | 0 | 0 | 109.3 | |||||
| 25 | N | 29.6 | Very low | 32.8 | Very low | 147 Ų | 147 | 153.8 Ų | 153.8 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -163.1 | 59.8 | 171.9 | -103 | -36.4 | 0 | 0 | 0 | 111.7 | ||||
| 26 | S | 33.9 | Very low | 33.2 | Very low | 110 Ų | 110 | 154.4 Ų | 154.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -102.9 | 2 | 176 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 27 | M | 39.2 | Very low | 33.4 | Very low | 174 Ų | 174 | 155.3 Ų | 155.3 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -123.5 | 6.5 | -173.7 | -72.6 | -170.4 | -78.1 | 0 | 0 | 116 | ||
| 28 | F | 36.9 | Very low | 33.7 | Very low | 186 Ų | 186 | 159.3 Ų | 159.3 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -118 | 8.9 | -178 | -116 | -87.4 | 0 | 0 | 0 | 116.3 | ||
| 29 | L | 35.4 | Very low | 33.7 | Very low | 149 Ų | 149 | 161 Ų | 161 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -109.2 | -2.1 | 179.4 | -87.8 | 166 | 0 | 0 | 0 | 115.7 | ||
| 30 | N | 33.4 | Very low | 33.5 | Very low | 156 Ų | 156 | 160.8 Ų | 160.8 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -97.7 | 23.5 | -178.7 | -83.1 | -8.5 | 0 | 0 | 0 | 114.8 | ||
| 31 | K | 40.1 | Very low | 33.4 | Very low | 197 Ų | 197 | 159.8 Ų | 159.8 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -133.6 | 14.8 | -179.2 | -139.4 | 170.4 | -174 | 174.5 | 0 | 116.6 | ||
| 32 | V | 38.7 | Very low | 33.3 | Very low | 135 Ų | 135 | 163.3 Ų | 163.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -121.7 | -8.6 | 175 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 33 | K | 36 | Very low | 33.1 | Very low | 177 Ų | 177 | 160.5 Ų | 160.5 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -102.4 | 24 | -175.9 | -149 | -164.9 | 172.2 | -170 | 0 | 114.8 | ||
| 34 | E | 37.1 | Very low | 33.3 | Very low | 177 Ų | 177 | 158.8 Ų | 158.8 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -130 | 19.5 | -178 | -148 | -172.9 | 160.9 | 0 | 0 | 113.5 | ||
| 35 | H | 35.7 | Very low | 32.8 | Very low | 190 Ų | 190 | 155.5 Ų | 155.5 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -132.8 | 11.9 | -179.3 | -114.7 | -75.6 | 0 | 0 | 0 | 114.9 | ||
| 36 | Q | 34.8 | Very low | 32.7 | Very low | 184 Ų | 184 | 154.2 Ų | 154.2 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -126.5 | 15.3 | -178.8 | -149.5 | 172.5 | 20.7 | 0 | 0 | 114.3 | ||
| 37 | E | 30.6 | Very low | 32.3 | Very low | 167 Ų | 167 | 153.8 Ų | 153.8 | 78% | 0.78 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -119.3 | 25.3 | 178.7 | -69.6 | -174 | 173.5 | 0 | 0 | 113.5 | ||
| 38 | K | 33.8 | Very low | 31.6 | Very low | 191 Ų | 191 | 151.3 Ų | 151.3 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -132.8 | 87 | 167.7 | -76.1 | -176.5 | 178.4 | 172 | 0 | 111 | ||
| 39 | N | 29.4 | Very low | 31.2 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | 166.1 | 86.6 | 144.3 | -83.4 | -14 | 0 | 0 | 0 | 109.3 | ||||
| 40 | A | 26.3 | Very low | 30.8 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -150.1 | 80.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 41 | S | 26.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 153.9 Ų | 153.9 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | trans | -167.8 | 133.9 | 162.8 | 43.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 42 | F | 24.8 | Very low | 29.6 | Very low | 201 Ų | 201 | 150.9 Ų | 150.9 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | cis | -140.2 | 179.8 | 33 | -76.8 | -98.5 | 0 | 0 | 0 | 113.4 | ||||
| 43 | S | 25.6 | Very low | 29 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -99.2 | -166.7 | -179.2 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 44 | P | 37.8 | Very low | 28.4 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | -128.7 | -175.7 | -73.9 | 39.4 | -23.6 | 0 | 0 | 0 | 114.1 | |||||
| 45 | S | 23.8 | Very low | 27.8 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | 108 | 119.4 | 154.2 | -162.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 46 | S | 27.2 | Very low | 27.3 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | 152.2 | 154.2 | 123.7 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 47 | A | 24.2 | Very low | 26.9 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -99.7 | 157 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 48 | S | 25.6 | Very low | 26.9 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -167 | 163.5 | 142.4 | 44.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 49 | H | 28.4 | Very low | 26.6 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 75% | 0.745 | 82% | 0.82 | S | S | * | * | trans | -75.4 | 160.2 | -171.9 | -68.5 | -124.5 | 0 | 0 | 0 | 113.5 | ||||
| 50 | Y | 26.1 | Very low | 27 | Very low | 217 Ų | 217 | 138.7 Ų | 138.7 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | 180 | 173.9 | 101.9 | -97.9 | -70.1 | 0 | 0 | 0 | 113.7 | |||||
| 51 | Q | 25.6 | Very low | 27 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -90.3 | 157.1 | -154.1 | -68.2 | 167.8 | -65.2 | 0 | 0 | 116.3 | ||||
| 52 | T | 24.6 | Very low | 27 | Very low | 133 Ų | 133 | 138 Ų | 138 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | trans | -67.4 | 135.4 | 160.9 | -49.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 53 | T | 24.7 | Very low | 27.2 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -129.3 | 126.6 | 164 | 26.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 54 | L | 24.7 | Very low | 27.5 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -87.1 | 144.5 | 166.3 | -78.7 | 159.3 | 0 | 0 | 0 | 108.9 | ||||
| 55 | L | 24.2 | Very low | 27 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -123.5 | 120.9 | 175.3 | -103.4 | 160.7 | 0 | 0 | 0 | 111.1 | ||||
| 56 | T | 24.4 | Very low | 27.2 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 146.5 | 179.3 | -55.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 57 | I | 26.7 | Very low | 27.2 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 82% | 0.821 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 134.8 | 177.2 | -58.5 | 174.9 | 0 | 0 | 0 | 109.4 | ||
| 58 | P | 29.3 | Very low | 27.4 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 158.7 | -170.3 | 35.4 | -36.7 | 0 | 0 | 0 | 115 | ||
| 59 | T | 28.8 | Very low | 27.6 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | -109.3 | 149.8 | 163.1 | 37.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 60 | P | 37 | Very low | 27.7 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 84% | 0.844 | 84% | 0.837 | S | S | * | * | trans | -77.4 | 150.2 | -178.4 | 32.4 | -35.2 | 0 | 0 | 0 | 112.2 | ||||
| 61 | G | 26.5 | Very low | 27.8 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | -103.8 | 173.8 | -172 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 62 | A | 26.8 | Very low | 27.9 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 88% | 0.876 | 84% | 0.843 | S | S | * | * | trans | -138.3 | 145.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 63 | K | 30.1 | Very low | 28 | Very low | 194 Ų | 194 | 125 Ų | 125 | 84% | 0.843 | 85% | 0.845 | S | S | * | * | trans | -99.8 | 142.4 | 179.6 | -62.3 | 176.7 | 178.1 | 179.6 | 0 | 110.2 | ||||
| 64 | T | 30.7 | Very low | 28.1 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 75% | 0.748 | 85% | 0.848 | S | S | * | * | 170.6 | 130.9 | 111.1 | 32.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 65 | D | 27.3 | Very low | 28.3 | Very low | 161 Ų | 161 | 123.9 Ų | 123.9 | 86% | 0.861 | 84% | 0.844 | S | S | * | * | trans | 49.9 | 140 | 143.9 | -49.3 | -33.5 | 0 | 0 | 0 | 124.3 | ||||
| 66 | G | 28.3 | Very low | 28.4 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | trans | 121.7 | 85.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 67 | G | 27.1 | Very low | 28.6 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 93% | 0.928 | 84% | 0.843 | S | S | * | * | trans | -72.3 | 175.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 68 | G | 27.5 | Very low | 29.2 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | 169.7 | 126.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 69 | Q | 31.5 | Very low | 29.4 | Very low | 194 Ų | 194 | 123.3 Ų | 123.3 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | trans | -70.1 | 147.7 | -161.7 | -70.3 | 173.2 | -11.6 | 0 | 0 | 119.6 | ||||
| 70 | A | 29 | Very low | 29.5 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | 51.2 | 135.8 | 128.7 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 71 | G | 28.1 | Very low | 28.9 | Very low | 82 Ų | 82 | 125 Ų | 125 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | 160.4 | 100.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 72 | G | 27.8 | Very low | 29 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 92% | 0.918 | 83% | 0.834 | S | S | * | * | trans | 84.6 | 116.1 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 73 | A | 26.8 | Very low | 29.2 | Very low | 103 Ų | 103 | 131 Ų | 131 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -111 | 147.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 74 | A | 27.3 | Very low | 29 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 87% | 0.868 | 84% | 0.836 | S | S | * | * | trans | -150.5 | 113.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 75 | H | 28.1 | Very low | 28.8 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | trans | -82.3 | 156.4 | 164.3 | -92.9 | -96.2 | 0 | 0 | 0 | 110.2 | ||||
| 76 | L | 26.3 | Very low | 28.6 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | -169.7 | 158.9 | 125.8 | -101.5 | 164.8 | 0 | 0 | 0 | 112.4 | |||||
| 77 | H | 30.2 | Very low | 28.5 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 75% | 0.75 | 84% | 0.836 | S | S | * | * | trans | -99.8 | 169.4 | -165.1 | -101 | -110.1 | 0 | 0 | 0 | 114.2 | ||||
| 78 | P | 38.3 | Very low | 28.3 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 65% | 0.649 | 83% | 0.834 | S | S | * | * | trans | -95 | 163.9 | -174.3 | 38.4 | -35.6 | 0 | 0 | 0 | 113.9 | ||||
| 79 | P | 34.1 | Very low | 28.3 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -104.3 | 135.7 | 168.7 | 35.2 | -28.2 | 0 | 0 | 0 | 113.8 | ||||
| 80 | H | 29.9 | Very low | 28 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -82.6 | 156.3 | 157.1 | -72.2 | -113.9 | 0 | 0 | 0 | 109.8 | ||||
| 81 | S | 25.3 | Very low | 28.1 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -152.2 | 135.3 | 157 | -165.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 82 | T | 28.7 | Very low | 28.1 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -115.6 | 133 | -178 | 47 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 83 | Q | 30.5 | Very low | 28.2 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -140.8 | 147.1 | 163 | -71.5 | -163.5 | -7.5 | 0 | 0 | 112.7 | ||||
| 84 | N | 25.7 | Very low | 28 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -74.9 | 164.3 | -171.9 | -68.1 | -41.3 | 0 | 0 | 0 | 113.5 | ||||
| 85 | I | 26.9 | Very low | 28.1 | Very low | 163 Ų | 163 | 142 Ų | 142 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -124.3 | 121.6 | 168.7 | -63.4 | 177.9 | 0 | 0 | 0 | 109.5 | ||||
| 86 | T | 23.8 | Very low | 27.9 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | -84.5 | 147.2 | 173.5 | -38.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 87 | V | 25.1 | Very low | 27.9 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 76% | 0.758 | 82% | 0.818 | S | S | * | * | trans | -103.9 | 137.8 | -178.6 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 88 | L | 22.7 | Very low | 27.7 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -139.6 | 136.7 | 163.1 | -80.7 | 173.7 | 0 | 0 | 0 | 110.3 | ||||
| 89 | P | 28.9 | Very low | 27.1 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | trans | -106.8 | 152.4 | -179.5 | 38.8 | -32.5 | 0 | 0 | 0 | 113.8 | ||||
| 90 | V | 24.7 | Very low | 26.7 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | trans | -146.1 | 143.9 | 168 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 91 | P | 31.1 | Very low | 26.4 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | -105.9 | -172.5 | -158.8 | 41.6 | -37.1 | 0 | 0 | 0 | 117.3 | ||||
| 92 | S | 28.7 | Very low | 26.4 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | -75.1 | 165.5 | -167.4 | -33.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 93 | T | 28.7 | Very low | 26.2 | Very low | 154 Ų | 154 | 137 Ų | 137 | 95% | 0.945 | 83% | 0.832 | S | S | * | * | 175.6 | 158.2 | 120.4 | 29.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 94 | G | 24 | Very low | 26 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 154.8 | 107.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 95 | I | 27.9 | Very low | 26.3 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | trans | -126 | 149.2 | 173.9 | -60.9 | 171.3 | 0 | 0 | 0 | 107.4 | ||||
| 96 | M | 24.6 | Very low | 26.5 | Very low | 179 Ų | 179 | 130 Ų | 130 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -170.2 | 166 | 149.3 | -96.8 | -95.1 | -76.3 | 0 | 0 | 111.3 | ||||
| 97 | T | 26.4 | Very low | 26.7 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -113.6 | -176.3 | -143.7 | -13.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 98 | A | 26 | Very low | 26.7 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -88.8 | 162.8 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 99 | A | 26.3 | Very low | 26.7 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -155 | 145.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 100 | G | 24.8 | Very low | 26.5 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -122.3 | 171.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 101 | L | 23.5 | Very low | 26.4 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -154.2 | 142.2 | 172.7 | -110.6 | 157.5 | 0 | 0 | 0 | 110.8 | ||||
| 102 | V | 25.9 | Very low | 26.2 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -125 | 127.4 | -177.4 | 172.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 103 | I | 24.6 | Very low | 26.2 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 80% | 0.8 | 82% | 0.82 | S | S | * | * | trans | -139.8 | 150.2 | 165.9 | -58.9 | -175.6 | 0 | 0 | 0 | 109.9 | ||||
| 104 | T | 25.7 | Very low | 26 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -92.2 | 172.6 | -161.6 | 48.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 105 | T | 31.6 | Very low | 26.1 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -80.1 | 170.1 | 176.4 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 106 | P | 31.7 | Very low | 26.1 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | -149 | 144.6 | 99.1 | 36.7 | -18.8 | 0 | 0 | 0 | 118.3 | |||||
| 107 | Q | 27.3 | Very low | 26.2 | Very low | 195 Ų | 195 | 128 Ų | 128 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | 33.9 | 136.7 | 136.7 | -63.7 | 154.2 | -15.6 | 0 | 0 | 123.6 | ||||
| 108 | G | 25 | Very low | 26.2 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 167.8 | 80.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 109 | T | 24.6 | Very low | 26.1 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -22.7 | 145 | 169.2 | 29.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 110 | L | 23.2 | Very low | 26.2 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 67.4 | 146.5 | 144.8 | -60.5 | 166.3 | 0 | 0 | 0 | 118 | ||||
| 111 | V | 23.9 | Very low | 26.3 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | cis | -152.5 | 151.9 | 46.6 | 163.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 112 | S | 25.9 | Very low | 26.6 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -81.9 | 159.9 | 172.4 | -52.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 113 | P | 29.2 | Very low | 27 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | -138.6 | 135.7 | 125.9 | 32.1 | -16.9 | 0 | 0 | 0 | 115.8 | |||||
| 114 | T | 24.8 | Very low | 27.2 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -56.1 | 162.1 | 146.9 | 44.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 115 | S | 25.7 | Very low | 27.3 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | cis | -157.3 | 169.9 | 24.2 | -161.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 116 | S | 26.7 | Very low | 27.2 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -27 | 145.1 | 167.1 | 58.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 117 | Q | 28.3 | Very low | 27 | Very low | 189 Ų | 189 | 129.9 Ų | 129.9 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | -150.3 | 155.7 | 105.5 | -76.5 | -144.9 | 9.2 | 0 | 0 | 110.6 | |||||
| 118 | S | 25 | Very low | 27 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -117.2 | 133.5 | -166.3 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 119 | F | 25.1 | Very low | 27 | Very low | 208 Ų | 208 | 131.5 Ų | 131.5 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | trans | -132.3 | 135.1 | 158.2 | -84.9 | -83.5 | 0 | 0 | 0 | 110.5 | ||||
| 120 | V | 27.9 | Very low | 27.1 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -97.2 | 120.1 | -175.6 | 175.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 121 | S | 26 | Very low | 27.2 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -146 | 129.3 | 159.4 | -175 | 0 | 0 | 0 | 0 | 109.9 | H123 | S121-H123 PolarHBondContact O-N 3.09Š| ||
| 122 | G | 31.7 | Very low | 27.3 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -91.5 | 90 | -162.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 123 | H | 32.6 | Very low | 27.3 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | -138 | 146.4 | 158.1 | -84.5 | -13.8 | 0 | 0 | 0 | 110.9 | S121 A125 | S121-H123 PolarHBondContact O-N 3.09Å; H123-A125 VanDerWaalsContact C-N 3.28Å; H123-A125 PolarHBondContact O-N 3.03Å | ||
| 124 | P | 30.4 | Very low | 27.2 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -73.1 | 84.2 | 174.1 | 31.1 | -33.8 | 0 | 0 | 0 | 109.9 | T126 | P124-T126 PolarHBondContact O-N 2.9Š| ||
| 125 | A | 26.3 | Very low | 27.3 | Very low | 82 Ų | 82 | 129.5 Ų | 129.5 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -62 | 129.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | H123 T127 | H123-A125 VanDerWaalsContact C-N 3.28Å; H123-A125 PolarHBondContact O-N 3.03Å; A125-T127 PolarHBondContact O-N 2.8Å | ||
| 126 | T | 30.1 | Very low | 27.4 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | -77.3 | 91.7 | 171.7 | -56 | 0 | 0 | 0 | 0 | 108.2 | P124 M128 | P124-T126 PolarHBondContact O-N 2.9Å; T126-M128 PolarHBondContact O-N 3.1Å | ||
| 127 | T | 26.9 | Very low | 27.5 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -66.3 | 104.9 | 178.4 | -16.1 | 0 | 0 | 0 | 0 | 110.2 | A125 I129 | A125-T127 PolarHBondContact O-N 2.8Å; T127-I129 PolarHBondContact O-N 3.47Å | ||
| 128 | M | 27.1 | Very low | 27.6 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -75.5 | 112.1 | 167.4 | -71.2 | -78.3 | -75.9 | 0 | 0 | 108 | T126 V130 | T126-M128 PolarHBondContact O-N 3.1Å; M128-V130 PolarHBondContact O-N 3.11Å | ||
| 129 | I | 26 | Very low | 27.9 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | -77.8 | 107.8 | 170.5 | -59.8 | 174.9 | 0 | 0 | 0 | 107.3 | T127 | T127-I129 PolarHBondContact O-N 3.47Š| ||
| 130 | V | 27.2 | Very low | 28 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -92.7 | 104.2 | 166.7 | 179 | 0 | 0 | 0 | 0 | 107.5 | M128 | M128-V130 PolarHBondContact O-N 3.11Š| ||
| 131 | S | 25.4 | Very low | 28 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -97.6 | 109.4 | 166.7 | -65 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 132 | A | 25.9 | Very low | 28.1 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -77.8 | 139.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 133 | L | 25.2 | Very low | 28 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -115.1 | 145.7 | 160.9 | -81.9 | 171.6 | 0 | 0 | 0 | 108.3 | ||||
| 134 | P | 26.5 | Very low | 27.7 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -72.2 | 150.2 | -173.7 | 30 | -35.2 | 0 | 0 | 0 | 112.1 | ||||
| 135 | S | 27.1 | Very low | 27.5 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -129 | 123.7 | 171.9 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 136 | S | 28.5 | Very low | 27.5 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -146.4 | 128.1 | 169.7 | 50.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 137 | D | 28.3 | Very low | 27.3 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | cis | -139.1 | 143.2 | 14.1 | -103.7 | -74.9 | 0 | 0 | 0 | 114.1 | ||||
| 138 | K | 29.9 | Very low | 27.2 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | 32 | 118.3 | 139.5 | -62.2 | 171.3 | -169.1 | 121.2 | 0 | 120.8 | ||||
| 139 | K | 31.1 | Very low | 27.1 | Very low | 207 Ų | 207 | 131.9 Ų | 131.9 | 90% | 0.9 | 78% | 0.778 | S | S | * | * | -151.8 | 155.9 | 96.5 | -115 | -177.9 | 179.2 | -176.2 | 0 | 111.9 | |||||
| 140 | E | 29 | Very low | 26.9 | Very low | 196 Ų | 196 | 132.1 Ų | 132.1 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -77.7 | 157.2 | -167.7 | -57.7 | 163.1 | 128.2 | 0 | 0 | 112.5 | ||||
| 141 | G | 27.6 | Very low | 27.1 | Very low | 71 Ų | 71 | 131.1 Ų | 131.1 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | cis | -171 | 170.3 | -0.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 142 | D | 28.4 | Very low | 27.1 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 95% | 0.952 | 78% | 0.777 | S | S | * | * | trans | 36.6 | 128.8 | 165.6 | -132.9 | 29.3 | 0 | 0 | 0 | 121 | ||||
| 143 | G | 28 | Very low | 27.1 | Very low | 53 Ų | 53 | 133.1 Ų | 133.1 | 55% | 0.546 | 78% | 0.779 | S | S | . | * | cis | 156.4 | 94 | -1.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 144 | T | 27.3 | Very low | 27.3 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -176.1 | 96.3 | 154.5 | 14.6 | 0 | 0 | 0 | 0 | 111.2 | H146 | T144-H146 PolarHBondContact O-N 3.45Š| ||
| 145 | S | 26.6 | Very low | 27.6 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -82.1 | 102 | 176.9 | -55 | 0 | 0 | 0 | 0 | 111.5 | V147 | S145-V147 PolarHBondContact O-N 3.44Å; S145-V147 VanDerWaalsContact O-N 3.08Å | ||
| 146 | H | 26.5 | Very low | 27.8 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | -65 | 106.2 | 171.7 | -78.6 | -77.3 | 0 | 0 | 0 | 111.8 | T144 V148 | T144-H146 PolarHBondContact O-N 3.45Å; H146-V148 PolarHBondContact O-N 3Å; H146-V148 VanDerWaalsContact O-N 3.15Å | ||
| 147 | V | 25.4 | Very low | 27.6 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -77 | 98 | 169 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | S145 V149 | S145-V147 PolarHBondContact O-N 3.44Å; S145-V147 VanDerWaalsContact O-N 3.08Å; V147-V149 HydrophobicContact CG1-CG2 3.99Å; V147-V149 PolarHBondContact O-N 2.87Å | ||
| 148 | V | 24.2 | Very low | 27.6 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | trans | -75.7 | 91.1 | 173.9 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | H146 M150 | H146-V148 PolarHBondContact O-N 3Å; H146-V148 VanDerWaalsContact O-N 3.15Å; V148-M150 HydrophobicContact CG1-CE 3.51Å; V148-M150 PolarHBondContact O-N 3.44Å | ||
| 149 | V | 25.6 | Very low | 27.9 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | trans | -77.6 | 108.6 | 168.3 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | V147 P151 | V147-V149 HydrophobicContact CG1-CG2 3.99Å; V147-V149 PolarHBondContact O-N 2.87Å; V149-P151 VanDerWaalsContact O-CD 3.24Å; V149-P151 WeakPolarHBondContact O-CD 3.42Å | ||
| 150 | M | 21.7 | Very low | 27.9 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 77% | 0.768 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 116.4 | 174.5 | -80.1 | -76.5 | 139.9 | 0 | 0 | 111.7 | V148 | V148-M150 HydrophobicContact CG1-CE 3.51Å; V148-M150 PolarHBondContact O-N 3.44Å |
| 151 | P | 30 | Very low | 27.8 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 154.9 | 172.6 | -13.1 | 31.1 | 0 | 0 | 0 | 111.6 | V149 | V149-P151 VanDerWaalsContact O-CD 3.24Å; V149-P151 WeakPolarHBondContact O-CD 3.42Å |
| 152 | S | 26 | Very low | 27.6 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.4 | 176.3 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | S154 | S152-S154 PolarHBondContact O-N 3.09Š|
| 153 | P | 26.4 | Very low | 27.4 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 119.3 | -174.4 | -22.9 | 33.1 | 0 | 0 | 0 | 113.6 | K155 | P153-K155 PolarHBondContact O-N 3.11Š|
| 154 | S | 28.9 | Very low | 27.2 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 123.8 | 169.9 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | S152 R156 | S152-S154 PolarHBondContact O-N 3.09Å; S154-R156 PolarHBondContact O-N 2.99Å |
| 155 | K | 34.1 | Very low | 27.1 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -79.8 | 83.4 | -177.3 | -71 | -168.9 | 176.1 | -167.4 | 0 | 112.3 | P153 | P153-K155 PolarHBondContact O-N 3.11Š|
| 156 | R | 29.5 | Very low | 27 | Very low | 240 Ų | 240 | 149.5 Ų | 149.5 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -146 | 106.8 | 153.8 | -91.4 | -175.2 | -175.3 | 179.4 | 1.7 | 110.2 | S154 | S154-R156 PolarHBondContact O-N 2.99Š| ||
| 157 | G | 25.5 | Very low | 27 | Very low | 87 Ų | 87 | 152.4 Ų | 152.4 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -83.5 | 131.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 158 | R | 29 | Very low | 26.9 | Very low | 249 Ų | 249 | 153.2 Ų | 153.2 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | trans | -140.4 | 127.5 | 158.6 | -150.3 | 175.2 | -164.7 | -176.9 | 3.7 | 108.5 | ||||
| 159 | K | 35.4 | Very low | 26.9 | Very low | 209 Ų | 209 | 152.4 Ų | 152.4 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -69 | 135.7 | -175 | -58.8 | 175.3 | 178.7 | 179.8 | 0 | 110.7 | ||||
| 160 | K | 30.2 | Very low | 26.9 | Very low | 198 Ų | 198 | 153 Ų | 153 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -138 | 147.7 | 153.5 | -83 | -169.7 | 177.3 | 178.6 | 0 | 109.2 | ||||
| 161 | K | 27.4 | Very low | 27.2 | Very low | 201 Ų | 201 | 154.4 Ų | 154.4 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -68.8 | 148 | -178.2 | -73.5 | 176.1 | 170.8 | -179.6 | 0 | 110.9 | ||||
| 162 | V | 23.9 | Very low | 26.9 | Very low | 135 Ų | 135 | 152.9 Ų | 152.9 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -83 | 129 | 159 | 176.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 163 | T | 24.1 | Very low | 26.8 | Very low | 127 Ų | 127 | 151 Ų | 151 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | trans | -119.3 | 131.7 | 164.3 | -54.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 164 | T | 24.6 | Very low | 27.3 | Very low | 115 Ų | 115 | 151.4 Ų | 151.4 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | trans | -82.6 | 172.6 | -179.5 | 41.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 165 | L | 25.2 | Very low | 27.1 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | 99 | 145.8 | 179.3 | -58.9 | 162 | 0 | 0 | 0 | 114 | ||||
| 166 | S | 24.4 | Very low | 26.8 | Very low | 108 Ų | 108 | 150.4 Ų | 150.4 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | cis | -165.2 | 174 | -29.1 | -113.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 167 | R | 24.7 | Very low | 26.6 | Very low | 233 Ų | 233 | 146.4 Ų | 146.4 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | -68.6 | 176.7 | -175.9 | -72.8 | 172.1 | 161.1 | 162.3 | -7.8 | 115.7 | ||||
| 168 | V | 25.1 | Very low | 26.8 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | 92.6 | 136.9 | 158.3 | -171 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 169 | A | 24.5 | Very low | 26.6 | Very low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | cis | -144.7 | 170.7 | 7.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 170 | T | 25.6 | Very low | 26.1 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 80% | 0.798 | 83% | 0.825 | S | S | * | * | trans | -86.7 | 133.3 | 171.8 | 43.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 171 | L | 26.8 | Very low | 25.9 | Very low | 185 Ų | 185 | 140 Ų | 140 | 97% | 0.969 | 82% | 0.818 | S | S | * | * | trans | -157.8 | 158.2 | 144.4 | -73.9 | -174.4 | 0 | 0 | 0 | 106 | ||||
| 172 | G | 24.1 | Very low | 25.8 | Very low | 78 Ų | 78 | 136.1 Ų | 136.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | cis | -172.4 | 174.7 | -6.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 173 | G | 23.8 | Very low | 26 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -119.5 | -162.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 174 | P | 37.2 | Very low | 26 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | cis | -108.3 | 178 | -11.7 | 39 | -25.4 | 0 | 0 | 0 | 110.7 | ||||
| 175 | G | 25.3 | Very low | 26.2 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | cis | 109.3 | 113.7 | 26 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 176 | H | 27.8 | Very low | 26.7 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | trans | -164.8 | 117.2 | 161.8 | -114.2 | -71.9 | 0 | 0 | 0 | 111.1 | ||||
| 177 | D | 24.7 | Very low | 26.8 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -78.9 | 148.4 | 169.5 | -66.1 | -59.3 | 0 | 0 | 0 | 111.1 | ||||
| 178 | T | 28.5 | Very low | 26.9 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -153.9 | 103.4 | 156.3 | -2.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 179 | L | 25.3 | Very low | 26.9 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -77 | 125.7 | 166.3 | -68.6 | 163.7 | 0 | 0 | 0 | 108.7 | ||||
| 180 | I | 26.1 | Very low | 27 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -124.9 | 129.4 | 156.6 | -66.5 | -170.5 | 0 | 0 | 0 | 111.4 | ||||
| 181 | L | 25.8 | Very low | 27 | Very low | 136 Ų | 136 | 134 Ų | 134 | 71% | 0.712 | 82% | 0.823 | S | S | * | * | trans | -60.5 | 151.4 | -172.1 | -161.2 | 65.3 | 0 | 0 | 0 | 114.8 | ||||
| 182 | T | 25.1 | Very low | 27 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -68.5 | 139.6 | 172 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 183 | H | 26.7 | Very low | 27.1 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | trans | -130.4 | 120.8 | 157.7 | -69.8 | -78.6 | 0 | 0 | 0 | 110.9 | ||||
| 184 | L | 25.2 | Very low | 27.4 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -115.1 | 128.5 | 171.2 | -91.9 | 162 | 0 | 0 | 0 | 107.9 | ||||
| 185 | T | 29.6 | Very low | 27.1 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | trans | -161.4 | 160.6 | 155.3 | 17.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 186 | P | 34.1 | Very low | 27.3 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -117.8 | 171 | -143.6 | 42.9 | -35.2 | 0 | 0 | 0 | 115.1 | ||||
| 187 | G | 26.8 | Very low | 27.6 | Very low | 80 Ų | 80 | 144.6 Ų | 144.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 163 | 114.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 188 | G | 26.6 | Very low | 28.1 | Very low | 73 Ų | 73 | 143.2 Ų | 143.2 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -98.3 | 148.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 189 | H | 25.6 | Very low | 28.2 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 89% | 0.889 | 81% | 0.807 | S | S | * | * | trans | -154.3 | 147.8 | 144.5 | -119.3 | -84.9 | 0 | 0 | 0 | 110.4 | ||||
| 190 | V | 27.2 | Very low | 28.5 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -105.4 | 141.1 | -179.3 | -82.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 191 | S | 24.7 | Very low | 28.9 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -171.8 | 116.8 | 144.5 | -86.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 192 | S | 26.3 | Very low | 29.6 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 45.7 | 136.6 | 141.9 | -74.1 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 193 | L | 26.8 | Very low | 30 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | 72.2 | 109.1 | 148.9 | -96.5 | 71.8 | 0 | 0 | 0 | 119.2 | ||||
| 194 | Q | 29.5 | Very low | 30.4 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | -157 | 146.3 | 98.2 | -148.9 | 66.1 | -16.8 | 0 | 0 | 111.8 | |||||
| 195 | H | 31.6 | Very low | 30.8 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -72.1 | 130.6 | 176.8 | -80.4 | -94.8 | 0 | 0 | 0 | 112.2 | ||||
| 196 | H | 30.1 | Very low | 31.4 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -136.7 | 146.2 | 153.5 | -84.9 | -77.5 | 0 | 0 | 0 | 110.9 | ||||
| 197 | H | 33.4 | Very low | 31.7 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67 | 155.5 | -173.4 | -86.6 | -103.3 | 0 | 0 | 0 | 113.5 | G199 | H197-G199 PolarHBondContact O-N 2.87Š|
| 198 | P | 35.9 | Very low | 32.2 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 116.3 | 175.2 | 29.3 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 199 | G | 30.1 | Very low | 33.1 | Very low | 69 Ų | 69 | 144.9 Ų | 144.9 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 156.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H197 | H197-G199 PolarHBondContact O-N 2.87Š|
| 200 | D | 30.4 | Very low | 33.5 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56 | 140.9 | 179 | -110.8 | -61.8 | 0 | 0 | 0 | 113.2 | Y202 | D200-Y202 PolarHBondContact O-N 3.17Š|
| 201 | P | 36.1 | Very low | 34.5 | Very low | 110 Ų | 110 | 147 Ų | 147 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -70.4 | 16.8 | 179.2 | -19.6 | 33.3 | 0 | 0 | 0 | 116.1 | ||
| 202 | Y | 40.3 | Very low | 35 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 55% | 0.549 | 77% | 0.765 | S | S | . | * | trans | -111.8 | 52.8 | -166.4 | -72.7 | -69.7 | 0 | 0 | 0 | 114.2 | D200 M204 Q236 | D200-Y202 PolarHBondContact O-N 3.17Å; Y202-M204 PolarHBondContact O-N 3.23Å; Y202-Q236 PolarHBondContact OH-NE2 2.85Å | ||
| 203 | E | 32.4 | Very low | 35.9 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -57.8 | 117.4 | 162.2 | -89.3 | -76 | 102.2 | 0 | 0 | 110.6 | ||||
| 204 | M | 35.1 | Very low | 36.9 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | -108 | 110.3 | -179.8 | -165.1 | 175.4 | -29.5 | 0 | 0 | 108.1 | Y202 H206 | Y202-M204 PolarHBondContact O-N 3.23Å; M204-H206 VanDerWaalsContact C-N 3.33Å; M204-H206 PolarHBondContact O-N 2.82Å | ||
| 205 | S | 35.1 | Very low | 37.9 | Very low | 108 Ų | 108 | 150.4 Ų | 150.4 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -64.4 | 93.5 | 175.7 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 206 | H | 40.8 | Very low | 39.1 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -81.4 | 115.5 | 157.4 | -89.7 | -99.5 | 0 | 0 | 0 | 107.1 | M204 | M204-H206 VanDerWaalsContact C-N 3.33Å; M204-H206 PolarHBondContact O-N 2.82Å | ||
| 207 | E | 40.6 | Very low | 41 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -105.9 | 141.2 | 162.4 | -66.8 | 169.2 | -167.6 | 0 | 0 | 105.6 | ||||
| 208 | D | 37 | Very low | 43.1 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | -64.4 | 156.2 | -155.7 | -64.4 | -81.8 | 0 | 0 | 0 | 116.3 | E210 | D208-E210 PolarHBondContact O-N 3.44Š| ||
| 209 | E | 45.1 | Very low | 45.5 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | -75.6 | 114.4 | 177.7 | -76.4 | -120.2 | 135.3 | 0 | 0 | 112 | H211 | E209-H211 IonicContact OE2-CE1 3.47Å; E209-H211 PolarHBondContact OE2-CE1 3.4Å; E209-H211 IonicContact OE2-ND1 3.97Å | ||
| 210 | E | 36 | Very low | 48.1 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | -115.6 | 136.4 | 148.7 | -159.2 | 177.7 | -161 | 0 | 0 | 109.8 | D208 G212 | D208-E210 PolarHBondContact O-N 3.44Å; E210-G212 PolarHBondContact O-N 3.32Å | ||
| 211 | H | 48 | Very low | 50.7 | Low | 178 Ų | 178 | 141.6 Ų | 141.6 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | -75.7 | 85.7 | -164.6 | -81.6 | 43.9 | 0 | 0 | 0 | 113.1 | E209 | E209-H211 IonicContact OE2-CE1 3.47Å; E209-H211 PolarHBondContact OE2-CE1 3.4Å; E209-H211 IonicContact OE2-ND1 3.97Å | ||
| 212 | G | 35 | Very low | 53.1 | Low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | trans | -134.8 | 116.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | E210 | E210-G212 PolarHBondContact O-N 3.32Š| ||
| 213 | H | 43.8 | Very low | 55 | Low | 190 Ų | 190 | 140.2 Ų | 140.2 | 88% | 0.88 | 70% | 0.696 | S | S | * | * | trans | 28.2 | 97.3 | 161.7 | -124.6 | -72.6 | 0 | 0 | 0 | 118.9 | D215 | H213-D215 PolarHBondContact O-N 3.49Š| ||
| 214 | K | 49 | Very low | 57.2 | Low | 207 Ų | 207 | 139 Ų | 139 | 90% | 0.9 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -63.7 | 95.8 | 173.3 | -80.5 | 178.3 | 175.6 | 167.1 | 0 | 113.5 | ||
| 215 | D | 50.4 | Low | 59.6 | Low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | trans | -148.1 | 33 | 152.4 | -120.7 | -22 | 0 | 0 | 0 | 112.5 | H213 T217 | H213-D215 PolarHBondContact O-N 3.49Å; D215-T217 PolarHBondContact O-N 2.93Å; D215-T217 VanDerWaalsContact O-N 3.08Å | ||
| 216 | S | 55.9 | Low | 61.9 | Low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | trans | -70.4 | 101.3 | 173.4 | -179 | 0 | 0 | 0 | 0 | 111.1 | K218 | S216-K218 VanDerWaalsContact C-N 3.34Å; S216-K218 PolarHBondContact O-N 3.15Å | ||
| 217 | T | 69.5 | Low | 64 | Low | 104 Ų | 104 | 127.2 Ų | 127.2 | 64% | 0.638 | 65% | 0.646 | S | S | * | * | trans | -71.3 | 88.4 | 169.7 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | D215 T219 | D215-T217 PolarHBondContact O-N 2.93Å; D215-T217 VanDerWaalsContact O-N 3.08Å; T217-T219 PolarHBondContact O-N 3.38Å | ||
| 218 | K | 78.6 | Confident | 66.3 | Low | 159 Ų | 159 | 122.7 Ų | 122.7 | 69% | 0.691 | 63% | 0.63 | S | S | * | * | trans | -52.8 | 110.6 | 178.5 | -68 | -168.9 | 175.6 | -168.3 | 0 | 110.7 | S216 Y220 | S216-K218 VanDerWaalsContact C-N 3.34Å; S216-K218 PolarHBondContact O-N 3.15Å; K218-Y220 WeakPolarHBondContact O-CE2 3.4Å | ||
| 219 | T | 85.8 | Confident | 68.7 | Low | 79 Ų | 79 | 117 Ų | 117 | 49% | 0.485 | 60% | 0.598 | S | S | . | * | trans | -100.5 | 148.3 | 174.5 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | T217 F229 F230 | T217-T219 PolarHBondContact O-N 3.38Å; T219-F229 CarbonylContact C-O 3.56Å; T219-F229 WeakPolarHBondContact CA-O 3.3Å; T219-F230 HydrophobicContact CG2-CD1 3.81Å; T219-F230 HydrophobicContact CG2-CE1 3.78Å | ||
| 220 | Y | 84.6 | Confident | 70.7 | Confident | 82 Ų | 82 | 116.7 Ų | 116.7 | 32% | 0.322 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116 | 111 | -175.6 | -60.5 | -90.8 | 0 | 0 | 0 | 108.6 | K218 F229 K232 | K218-Y220 WeakPolarHBondContact O-CE2 3.4Å; Y220-F229 PolarHBondContact N-O 3.42Å; Y220-F229 PolarHBondContact O-N 3.01Å; Y220-K232 HydrophobicContact CD1-CB 3.88Å; Y220-K232 HydrophobicContact CD1-CG 4.12Å; Y220-K232 HydrophobicContact CD2-CB 4.5Å; Y220-K232 VanDerWaalsContact CD2-N 3.3Å; Y220-K232 HydrophobicContact CE1-CB 3.61Å; Y220-K232 HydrophobicContact CE1-CD 4.26Å; Y220-K232 HydrophobicContact CE1-CG 3.99Å; Y220-K232 HydrophobicContact CE2-CB 4.27Å; Y220-K232 HydrophobicContact CG-CB 4.31Å |
| 221 | R | 85.6 | Confident | 73 | Confident | 157 Ų | 157 | 109.6 Ų | 109.6 | 59% | 0.592 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 136.6 | 179.7 | -167.8 | 176.5 | -179.9 | 97 | -3.9 | 110.5 | T228 | R221-T228 HydrophobicContact CB-CG2 4.18Å; R221-T228 HydrophobicContact CG-CG2 3.96Å |
| 222 | C | 85.9 | Confident | 74.7 | Confident | 6 Ų | 6 | 105.3 Ų | 105.3 | 4% | 0.041 | 55% | 0.545 | C | S | . | . | trans | -69.4 | 137.1 | 169.3 | -166.3 | 0 | 0 | 0 | 0 | 109.8 | A227 | C222-A227 PolarHBondContact N-O 3.15Š| ||
| 223 | R | 80.6 | Confident | 76.9 | Confident | 215 Ų | 215 | 104.5 Ų | 104.5 | 81% | 0.811 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -77.4 | -21.9 | 174.2 | -66.6 | -177.1 | 179.3 | 166.5 | -0.1 | 112.9 | ||
| 224 | M | 79.7 | Confident | 78.7 | Confident | 140 Ų | 140 | 99.2 Ų | 99.2 | 69% | 0.69 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -92.3 | -12.2 | -177.3 | -59.4 | -54.8 | -63 | 0 | 0 | 114.3 | H242 | M224-H242 HydrophobicContact CB-CB 4.08Å; M224-H242 HydrophobicContact CG-CB 4.22Å |
| 225 | C | 84.4 | Confident | 80.4 | Confident | 45 Ų | 45 | 91.1 Ų | 91.1 | 30% | 0.304 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -159.2 | 167.5 | 174.3 | 76 | 0 | 0 | 0 | 0 | 111.4 | A227 H238 H242 | C225-A227 PolarHBondContact O-N 3.37Å; C225-A227 VanDerWaalsContact SG-CB 3.52Å; C225-H238 PolarHBondContact SG-NE2 3.02Å; C225-H242 PolarHBondContact SG-NE2 3.13Å; C225-H242 VanDerWaalsContact SG-NE2 3.36Å |
| 226 | A | 83.9 | Confident | 81.7 | Confident | 78 Ų | 78 | 87.5 Ų | 87.5 | 65% | 0.645 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -69.7 | 13.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 227 | A | 85.1 | Confident | 82.7 | Confident | 29 Ų | 29 | 84.4 Ų | 84.4 | 24% | 0.24 | 43% | 0.426 | C | S | . | . | trans | -78.2 | 133.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C222 C225 F229 | C222-A227 PolarHBondContact N-O 3.15Å; C225-A227 PolarHBondContact O-N 3.37Å; C225-A227 VanDerWaalsContact SG-CB 3.52Å; A227-F229 HydrophobicContact CB-CE2 3.62Å; A227-F229 HydrophobicContact CB-CZ 3.81Å | ||
| 228 | T | 87.5 | Confident | 83.2 | Confident | 76 Ų | 76 | 81.6 Ų | 81.6 | 47% | 0.466 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.6 | 178.2 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | R221 | R221-T228 HydrophobicContact CB-CG2 4.18Å; R221-T228 HydrophobicContact CG-CG2 3.96Å |
| 229 | F | 87.6 | Confident | 83.1 | Confident | 45 Ų | 45 | 75.8 Ų | 75.8 | 20% | 0.197 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 151.4 | -175.4 | -59.3 | -90.4 | 0 | 0 | 0 | 110.9 | T219 Y220 A227 S231 D234 M235 H238 | T219-F229 CarbonylContact C-O 3.56Å; T219-F229 WeakPolarHBondContact CA-O 3.3Å; Y220-F229 PolarHBondContact N-O 3.42Å; Y220-F229 PolarHBondContact O-N 3.01Å; A227-F229 HydrophobicContact CB-CE2 3.62Å; A227-F229 HydrophobicContact CB-CZ 3.81Å; F229-S231 VanDerWaalsContact C-N 3.32Å; F229-D234 HydrophobicContact CB-CB 4.32Å; F229-D234 HydrophobicContact CD1-CB 3.92Å; F229-D234 HydrophobicContact CG-CB 4.4Å; F229-M235 HydrophobicContact CB-CB 4.05Å; F229-M235 HydrophobicContact CD2-CB 3.73Å; F229-M235 HydrophobicContact CD2-CG 3.89Å; F229-M235 HydrophobicContact CE2-CG 4.5Å; F229-M235 HydrophobicContact CG-CB 4.03Å; F229-H238 HydrophobicContact CE1-CB 3.87Å; F229-H238 HydrophobicContact CE2-CB 3.86Å; F229-H238 AromaticContact CE2-CD2 3.38Å; F229-H238 WeakPolarHBondContact CE2-CD2 3.49Å; F229-H238 AromaticContact CE2-CG 3.65Å; F229-H238 HydrophobicContact CZ-CB 3.38Å; F229-H238 AromaticContact CZ-CD2 3.42Å; F229-H238 VanDerWaalsContact CZ-CD2 3.42Å; F229-H238 WeakPolarHBondContact CZ-CD2 3.26Å; F229-H238 AromaticContact CZ-CG 3.2Å; F229-H238 AromaticContact CZ-ND1 3.8Å |
| 230 | F | 86.9 | Confident | 82.7 | Confident | 164 Ų | 164 | 76.4 Ų | 76.4 | 72% | 0.719 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -88.5 | 0.5 | 175.4 | -61.7 | -79.5 | 0 | 0 | 0 | 113.2 | T219 | T219-F230 HydrophobicContact CG2-CD1 3.81Å; T219-F230 HydrophobicContact CG2-CE1 3.78Å |
| 231 | S | 85.9 | Confident | 82.2 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 28% | 0.28 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -138.7 | 141.4 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | F229 S233 D234 M235 | F229-S231 VanDerWaalsContact C-N 3.32Å; S231-S233 PolarHBondContact O-N 3.06Å; S231-S233 PolarHBondContact OG-N 3.39Å; S231-S233 PolarHBondContact OG-OG 3.43Å; S231-D234 PolarHBondContact O-N 2.87Å; S231-M235 PolarHBondContact O-N 3.08Å; S231-M235 VanDerWaalsContact O-N 3.11Å |
| 232 | K | 83.6 | Confident | 81.5 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.6 | -38.3 | 171.3 | -166.6 | 174.5 | 179.3 | 177.4 | 0 | 111 | Y220 D234 Q236 | Y220-K232 HydrophobicContact CD1-CB 3.88Å; Y220-K232 HydrophobicContact CD1-CG 4.12Å; Y220-K232 HydrophobicContact CD2-CB 4.5Å; Y220-K232 VanDerWaalsContact CD2-N 3.3Å; Y220-K232 HydrophobicContact CE1-CB 3.61Å; Y220-K232 HydrophobicContact CE1-CD 4.26Å; Y220-K232 HydrophobicContact CE1-CG 3.99Å; Y220-K232 HydrophobicContact CE2-CB 4.27Å; Y220-K232 HydrophobicContact CG-CB 4.31Å; K232-D234 VanDerWaalsContact C-N 3.33Å; K232-D234 PolarHBondContact O-N 3.04Å; K232-Q236 WeakPolarHBondContact O-CB 3.44Å; K232-Q236 VanDerWaalsContact O-CG 3.26Å; K232-Q236 WeakPolarHBondContact O-CG 3.46Å; K232-Q236 PolarHBondContact O-N 2.87Å |
| 233 | S | 80.7 | Confident | 80.6 | Confident | 50 Ų | 50 | 74.9 Ų | 74.9 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 177.6 | 61.3 | 0 | 0 | 0 | 0 | 112 | S231 Q236 I237 | S231-S233 PolarHBondContact O-N 3.06Å; S231-S233 PolarHBondContact OG-N 3.39Å; S231-S233 PolarHBondContact OG-OG 3.43Å; S233-Q236 PolarHBondContact O-N 3.28Å; S233-I237 WeakPolarHBondContact O-CD1 3.11Å; S233-I237 VanDerWaalsContact O-CG1 3.25Å; S233-I237 WeakPolarHBondContact O-CG1 3.28Å; S233-I237 PolarHBondContact O-N 2.87Å |
| 234 | D | 81.2 | Confident | 79.8 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -76.1 | -38.4 | -173.2 | -58.6 | -11.6 | 0 | 0 | 0 | 109.9 | F229 S231 K232 Q236 I237 H238 | F229-D234 HydrophobicContact CB-CB 4.32Å; F229-D234 HydrophobicContact CD1-CB 3.92Å; F229-D234 HydrophobicContact CG-CB 4.4Å; S231-D234 PolarHBondContact O-N 2.87Å; K232-D234 VanDerWaalsContact C-N 3.33Å; K232-D234 PolarHBondContact O-N 3.04Å; D234-Q236 VanDerWaalsContact C-N 3.33Å; D234-Q236 PolarHBondContact O-N 2.96Å; D234-I237 PolarHBondContact O-N 2.9Å; D234-H238 VanDerWaalsContact O-CB 3.26Å; D234-H238 WeakPolarHBondContact O-CB 3.38Å; D234-H238 PolarHBondContact O-N 3Å |
| 235 | M | 84.1 | Confident | 79 | Confident | 38 Ų | 38 | 70 Ų | 70 | 19% | 0.187 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 168.5 | -169.7 | -123.3 | 64.5 | 0 | 0 | 111.8 | F229 S231 H238 S239 | F229-M235 HydrophobicContact CB-CB 4.05Å; F229-M235 HydrophobicContact CD2-CB 3.73Å; F229-M235 HydrophobicContact CD2-CG 3.89Å; F229-M235 HydrophobicContact CE2-CG 4.5Å; F229-M235 HydrophobicContact CG-CB 4.03Å; S231-M235 PolarHBondContact O-N 3.08Å; S231-M235 VanDerWaalsContact O-N 3.11Å; M235-H238 PolarHBondContact O-N 2.9Å; M235-S239 WeakPolarHBondContact O-CB 3.39Å; M235-S239 PolarHBondContact O-N 3.33Å; M235-S239 PolarHBondContact O-OG 3.36Å |
| 236 | Q | 78.8 | Confident | 78.6 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.9 | -35.3 | 178.4 | -78.7 | 176.2 | -29.9 | 0 | 0 | 112.8 | Y202 K232 S233 D234 H238 S239 K240 | Y202-Q236 PolarHBondContact OH-NE2 2.85Å; K232-Q236 WeakPolarHBondContact O-CB 3.44Å; K232-Q236 VanDerWaalsContact O-CG 3.26Å; K232-Q236 WeakPolarHBondContact O-CG 3.46Å; K232-Q236 PolarHBondContact O-N 2.87Å; S233-Q236 PolarHBondContact O-N 3.28Å; D234-Q236 VanDerWaalsContact C-N 3.33Å; D234-Q236 PolarHBondContact O-N 2.96Å; Q236-H238 VanDerWaalsContact C-N 3.33Å; Q236-S239 WeakPolarHBondContact CA-OG 3.44Å; Q236-S239 PolarHBondContact O-OG 3.41Å; Q236-S239 VanDerWaalsContact O-OG 3.07Å; Q236-K240 VanDerWaalsContact O-CG 3.32Å; Q236-K240 WeakPolarHBondContact O-CG 3.35Å; Q236-K240 PolarHBondContact O-N 2.87Å |
| 237 | I | 77.1 | Confident | 78.2 | Confident | 41 Ų | 41 | 73 Ų | 73 | 21% | 0.21 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.1 | -37.1 | 172.6 | -68.7 | 160.3 | 0 | 0 | 0 | 110 | S233 D234 N259 Y262 | S233-I237 WeakPolarHBondContact O-CD1 3.11Å; S233-I237 VanDerWaalsContact O-CG1 3.25Å; S233-I237 WeakPolarHBondContact O-CG1 3.28Å; S233-I237 PolarHBondContact O-N 2.87Å; D234-I237 PolarHBondContact O-N 2.9Å; I237-N259 HydrophobicContact CG2-CB 4.24Å; I237-Y262 HydrophobicContact CG2-CE2 3.94Å |
| 238 | H | 79.6 | Confident | 78.1 | Confident | 44 Ų | 44 | 74.6 Ų | 74.6 | 20% | 0.204 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71.5 | -39.2 | 175.5 | 173.3 | 70.3 | 0 | 0 | 0 | 113.2 | C225 F229 D234 M235 Q236 K240 S241 H242 | C225-H238 PolarHBondContact SG-NE2 3.02Å; F229-H238 HydrophobicContact CE1-CB 3.87Å; F229-H238 HydrophobicContact CE2-CB 3.86Å; F229-H238 AromaticContact CE2-CD2 3.38Å; F229-H238 WeakPolarHBondContact CE2-CD2 3.49Å; F229-H238 AromaticContact CE2-CG 3.65Å; F229-H238 HydrophobicContact CZ-CB 3.38Å; F229-H238 AromaticContact CZ-CD2 3.42Å; F229-H238 VanDerWaalsContact CZ-CD2 3.42Å; F229-H238 WeakPolarHBondContact CZ-CD2 3.26Å; F229-H238 AromaticContact CZ-CG 3.2Å; F229-H238 AromaticContact CZ-ND1 3.8Å; D234-H238 VanDerWaalsContact O-CB 3.26Å; D234-H238 WeakPolarHBondContact O-CB 3.38Å; D234-H238 PolarHBondContact O-N 3Å; M235-H238 PolarHBondContact O-N 2.9Å; Q236-H238 VanDerWaalsContact C-N 3.33Å; H238-K240 PolarHBondContact O-N 3.13Å; H238-S241 WeakPolarHBondContact O-CA 3.43Å; H238-S241 VanDerWaalsContact O-CB 3.29Å; H238-S241 WeakPolarHBondContact O-CB 3.42Å; H238-S241 PolarHBondContact O-N 2.98Å; H238-S241 PolarHBondContact O-OG 3.28Å; H238-H242 AromaticContact CD2-NE2 3.85Å; H238-H242 AromaticContact CE1-NE2 3.48Å; H238-H242 PolarHBondContact CE1-NE2 3.16Å; H238-H242 AromaticContact NE2-CD2 3.84Å; H238-H242 AromaticContact NE2-CE1 3.96Å; H238-H242 AromaticContact NE2-NE2 3Å; H238-H242 PolarHBondContact NE2-NE2 3.26Å |
| 239 | S | 77.2 | Confident | 77.9 | Confident | 37 Ų | 37 | 78.5 Ų | 78.5 | 26% | 0.259 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -34.3 | 177.2 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | M235 Q236 S241 H242 T243 | M235-S239 WeakPolarHBondContact O-CB 3.39Å; M235-S239 PolarHBondContact O-N 3.33Å; M235-S239 PolarHBondContact O-OG 3.36Å; Q236-S239 WeakPolarHBondContact CA-OG 3.44Å; Q236-S239 PolarHBondContact O-OG 3.41Å; Q236-S239 VanDerWaalsContact O-OG 3.07Å; S239-S241 PolarHBondContact O-N 3.14Å; S239-S241 VanDerWaalsContact O-N 3.08Å; S239-H242 PolarHBondContact O-N 3.1Å; S239-T243 PolarHBondContact O-N 3.36Å |
| 240 | K | 77.3 | Confident | 78 | Confident | 92 Ų | 92 | 76.9 Ų | 76.9 | 40% | 0.4 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -4.5 | 168.9 | -68.5 | 172 | -176 | -176.9 | 0 | 115.1 | Q236 H238 T243 A258 | Q236-K240 VanDerWaalsContact O-CG 3.32Å; Q236-K240 WeakPolarHBondContact O-CG 3.35Å; Q236-K240 PolarHBondContact O-N 2.87Å; H238-K240 PolarHBondContact O-N 3.13Å; K240-T243 WeakPolarHBondContact CA-OG1 3.37Å; K240-T243 PolarHBondContact O-OG1 3.37Å; K240-A258 HydrophobicContact CB-CB 3.82Å |
| 241 | S | 72.9 | Confident | 77.9 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -19.6 | 170.1 | 74.6 | 0 | 0 | 0 | 0 | 113.6 | H238 S239 | H238-S241 WeakPolarHBondContact O-CA 3.43Å; H238-S241 VanDerWaalsContact O-CB 3.29Å; H238-S241 WeakPolarHBondContact O-CB 3.42Å; H238-S241 PolarHBondContact O-N 2.98Å; H238-S241 PolarHBondContact O-OG 3.28Å; S239-S241 PolarHBondContact O-N 3.14Å; S239-S241 VanDerWaalsContact O-N 3.08Å |
| 242 | H | 71 | Confident | 78 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 36% | 0.361 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -29.4 | 172.8 | -61.9 | -66.2 | 0 | 0 | 0 | 112.3 | M224 C225 H238 S239 | M224-H242 HydrophobicContact CB-CB 4.08Å; M224-H242 HydrophobicContact CG-CB 4.22Å; C225-H242 PolarHBondContact SG-NE2 3.13Å; C225-H242 VanDerWaalsContact SG-NE2 3.36Å; H238-H242 AromaticContact CD2-NE2 3.85Å; H238-H242 AromaticContact CE1-NE2 3.48Å; H238-H242 PolarHBondContact CE1-NE2 3.16Å; H238-H242 AromaticContact NE2-CD2 3.84Å; H238-H242 AromaticContact NE2-CE1 3.96Å; H238-H242 AromaticContact NE2-NE2 3Å; H238-H242 PolarHBondContact NE2-NE2 3.26Å; S239-H242 PolarHBondContact O-N 3.1Å |
| 243 | T | 68.4 | Low | 78.2 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 44% | 0.436 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -80.9 | 133.7 | 168.3 | 59.7 | 0 | 0 | 0 | 0 | 110 | S239 K240 A245 | S239-T243 PolarHBondContact O-N 3.36Å; K240-T243 WeakPolarHBondContact CA-OG1 3.37Å; K240-T243 PolarHBondContact O-OG1 3.37Å; T243-A245 PolarHBondContact O-N 2.98Å |
| 244 | E | 62.4 | Low | 78.5 | Confident | 188 Ų | 188 | 77.3 Ų | 77.3 | 88% | 0.879 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -62.9 | -15.2 | 175.5 | -60.3 | -163.5 | 142 | 0 | 0 | 113.7 | K246 | E244-K246 VanDerWaalsContact C-N 3.31Å; E244-K246 PolarHBondContact O-N 3.38Å |
| 245 | A | 64.3 | Low | 78.5 | Confident | 66 Ų | 66 | 79.4 Ų | 79.4 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | trans | -59.5 | 85.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T243 P247 | T243-A245 PolarHBondContact O-N 2.98Å; A245-P247 VanDerWaalsContact O-CD 3.3Å; A245-P247 WeakPolarHBondContact O-CD 3.36Å | ||
| 246 | K | 74.8 | Confident | 78.6 | Confident | 101 Ų | 101 | 79.3 Ų | 79.3 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | trans | -98.6 | 91.3 | 167.4 | -74.2 | 156.8 | 176.1 | 164.2 | 0 | 108.7 | E244 H248 S256 F257 | E244-K246 VanDerWaalsContact C-N 3.31Å; E244-K246 PolarHBondContact O-N 3.38Å; K246-H248 VanDerWaalsContact C-N 3.26Å; K246-H248 PolarHBondContact O-N 2.93Å; K246-S256 WeakPolarHBondContact CD-O 3.36Å; K246-F257 CarbonylContact C-O 3.59Å | ||
| 247 | P | 76.4 | Confident | 78.7 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | trans | -70.3 | -25.2 | -166 | -18 | 33.8 | 0 | 0 | 0 | 112.9 | A245 K249 | A245-P247 VanDerWaalsContact O-CD 3.3Å; A245-P247 WeakPolarHBondContact O-CD 3.36Å; P247-K249 PolarHBondContact O-N 2.4Å | ||
| 248 | H | 81.6 | Confident | 78.9 | Confident | 63 Ų | 63 | 77.4 Ų | 77.4 | 29% | 0.292 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 83.1 | -172 | -55.2 | -73.7 | 0 | 0 | 0 | 110.5 | K246 S256 F257 N259 S260 L263 | K246-H248 VanDerWaalsContact C-N 3.26Å; K246-H248 PolarHBondContact O-N 2.93Å; H248-S256 WeakPolarHBondContact O-CA 3.45Å; H248-F257 HydrophobicContact CB-CB 4.4Å; H248-F257 WeakPolarHBondContact CB-O 3.49Å; H248-F257 PolarHBondContact N-O 2.99Å; H248-F257 VanDerWaalsContact N-O 3.13Å; H248-F257 PolarHBondContact O-N 3.24Å; H248-N259 VanDerWaalsContact CD2-CA 3.49Å; H248-N259 WeakPolarHBondContact CD2-CA 3.49Å; H248-S260 PolarHBondContact CD2-N 3.06Å; H248-S260 PolarHBondContact NE2-N 2.89Å; H248-L263 HydrophobicContact CB-CB 4.01Å; H248-L263 HydrophobicContact CB-CD2 3.79Å |
| 249 | K | 84.5 | Confident | 79 | Confident | 158 Ų | 158 | 77 Ų | 77 | 69% | 0.687 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 143.9 | 176.6 | -52.7 | -167.1 | 177.8 | 178.6 | 0 | 111.2 | P247 S256 L263 | P247-K249 PolarHBondContact O-N 2.4Å; K249-S256 WeakPolarHBondContact CG-OG 3.38Å; K249-L263 WeakPolarHBondContact O-CD2 3.29Å |
| 250 | C | 88.5 | Confident | 79.4 | Confident | 11 Ų | 11 | 78.1 Ų | 78.1 | 7% | 0.074 | 43% | 0.433 | C | S | . | . | trans | -80.1 | 133.4 | 172.5 | -176.3 | 0 | 0 | 0 | 0 | 111 | H252 C253 K255 F257 L263 H266 H270 | C250-H252 PolarHBondContact O-N 3.1Å; C250-H252 PolarHBondContact SG-N 3.39Å; C250-H252 VanDerWaalsContact SG-N 3.45Å; C250-C253 WeakPolarHBondContact CB-O 3.46Å; C250-K255 WeakPolarHBondContact CB-O 3.1Å; C250-K255 PolarHBondContact N-O 3.44Å; C250-F257 HydrophobicContact CB-CE2 4.46Å; C250-L263 HydrophobicContact CB-CD1 3.89Å; C250-H266 VanDerWaalsContact SG-CD2 3.54Å; C250-H266 PolarHBondContact SG-NE2 2.63Å; C250-H270 PolarHBondContact SG-NE2 3.19Å | ||
| 251 | P | 86.4 | Confident | 79.8 | Confident | 95 Ų | 95 | 77.2 Ų | 77.2 | 62% | 0.617 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -12.7 | 176.8 | 29.3 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 252 | H | 86.9 | Confident | 80.3 | Confident | 115 Ų | 115 | 80.1 Ų | 80.1 | 53% | 0.532 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -4.9 | -174.5 | -53.7 | -57.3 | 0 | 0 | 0 | 114.1 | C250 H270 | C250-H252 PolarHBondContact O-N 3.1Å; C250-H252 PolarHBondContact SG-N 3.39Å; C250-H252 VanDerWaalsContact SG-N 3.45Å; H252-H270 HydrophobicContact CB-CB 4.17Å; H252-H270 AromaticContact CD2-CG 3.87Å; H252-H270 AromaticContact CG-CG 4Å; H252-H270 PolarHBondContact O-CE1 2.66Å; H252-H270 VanDerWaalsContact O-CE1 3.27Å |
| 253 | C | 88.9 | Confident | 81.1 | Confident | 38 Ų | 38 | 77.6 Ų | 77.6 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -162.2 | 165.3 | 174.1 | 70.1 | 0 | 0 | 0 | 0 | 111.5 | C250 K255 H266 H270 | C250-C253 WeakPolarHBondContact CB-O 3.46Å; C253-K255 PolarHBondContact O-N 2.98Å; C253-H266 PolarHBondContact SG-NE2 3.06Å; C253-H270 WeakPolarHBondContact CB-CE1 3.47Å; C253-H270 VanDerWaalsContact SG-CE1 3.6Å; C253-H270 PolarHBondContact SG-NE2 2.9Å |
| 254 | A | 85.6 | Confident | 82 | Confident | 104 Ų | 104 | 77 Ų | 77 | 86% | 0.86 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -64.7 | 0.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 255 | K | 82.2 | Confident | 83.2 | Confident | 121 Ų | 121 | 71 Ų | 71 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | trans | -76.6 | 132.2 | -178.4 | -63.3 | -175.5 | 179.3 | -179 | 0 | 111 | C250 C253 F257 | C250-K255 WeakPolarHBondContact CB-O 3.1Å; C250-K255 PolarHBondContact N-O 3.44Å; C253-K255 PolarHBondContact O-N 2.98Å; K255-F257 HydrophobicContact CB-CE2 4.01Å; K255-F257 HydrophobicContact CB-CZ 4.02Å | ||
| 256 | S | 84.8 | Confident | 84.3 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 25% | 0.252 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.6 | 178.6 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | K246 H248 K249 | K246-S256 WeakPolarHBondContact CD-O 3.36Å; H248-S256 WeakPolarHBondContact O-CA 3.45Å; K249-S256 WeakPolarHBondContact CG-OG 3.38Å |
| 257 | F | 82.9 | Confident | 85 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 19% | 0.189 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.1 | -170.9 | -59.3 | -89 | 0 | 0 | 0 | 112 | K246 H248 C250 K255 N259 L263 H266 | K246-F257 CarbonylContact C-O 3.59Å; H248-F257 HydrophobicContact CB-CB 4.4Å; H248-F257 WeakPolarHBondContact CB-O 3.49Å; H248-F257 PolarHBondContact N-O 2.99Å; H248-F257 VanDerWaalsContact N-O 3.13Å; H248-F257 PolarHBondContact O-N 3.24Å; C250-F257 HydrophobicContact CB-CE2 4.46Å; K255-F257 HydrophobicContact CB-CE2 4.01Å; K255-F257 HydrophobicContact CB-CZ 4.02Å; F257-N259 VanDerWaalsContact C-N 3.25Å; F257-N259 PolarHBondContact O-N 3.08Å; F257-L263 HydrophobicContact CB-CB 4.3Å; F257-L263 HydrophobicContact CD2-CB 3.96Å; F257-L263 HydrophobicContact CD2-CD1 3.86Å; F257-L263 HydrophobicContact CE2-CD1 4.11Å; F257-L263 HydrophobicContact CG-CB 4.32Å; F257-H266 HydrophobicContact CE1-CB 4.04Å; F257-H266 HydrophobicContact CE2-CB 3.79Å; F257-H266 AromaticContact CE2-CD2 3.41Å; F257-H266 VanDerWaalsContact CE2-CD2 3.41Å; F257-H266 WeakPolarHBondContact CE2-CD2 3.46Å; F257-H266 AromaticContact CE2-CG 3.54Å; F257-H266 HydrophobicContact CZ-CB 3.48Å; F257-H266 VanDerWaalsContact CZ-CB 3.48Å; F257-H266 AromaticContact CZ-CD2 3.56Å; F257-H266 AromaticContact CZ-CG 3.23Å; F257-H266 AromaticContact CZ-ND1 3.63Å |
| 258 | A | 81.1 | Confident | 85.7 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -72.9 | -14.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | K240 | K240-A258 HydrophobicContact CB-CB 3.82Š|
| 259 | N | 81.9 | Confident | 86 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 19% | 0.187 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -145.5 | 141.3 | -179 | -175.7 | 2.5 | 0 | 0 | 0 | 111.1 | I237 H248 F257 S261 Y262 L263 | I237-N259 HydrophobicContact CG2-CB 4.24Å; H248-N259 VanDerWaalsContact CD2-CA 3.49Å; H248-N259 WeakPolarHBondContact CD2-CA 3.49Å; F257-N259 VanDerWaalsContact C-N 3.25Å; F257-N259 PolarHBondContact O-N 3.08Å; N259-S261 VanDerWaalsContact C-N 3.27Å; N259-S261 PolarHBondContact O-N 2.96Å; N259-S261 PolarHBondContact OD1-N 3.19Å; N259-Y262 HydrophobicContact CB-CD2 3.91Å; N259-Y262 HydrophobicContact CB-CE2 4.49Å; N259-Y262 PolarHBondContact O-N 3.26Å; N259-L263 PolarHBondContact O-N 3.17Å |
| 260 | S | 84.7 | Confident | 86.2 | Confident | 61 Ų | 61 | 62.3 Ų | 62.3 | 43% | 0.427 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58 | -34.8 | 175.6 | 62 | 0 | 0 | 0 | 0 | 112.7 | H248 Y262 L263 A264 | H248-S260 PolarHBondContact CD2-N 3.06Å; H248-S260 PolarHBondContact NE2-N 2.89Å; S260-Y262 VanDerWaalsContact C-N 3.33Å; S260-Y262 PolarHBondContact O-N 3.46Å; S260-L263 PolarHBondContact O-N 3.04Å; S260-A264 WeakPolarHBondContact O-CB 3.45Å; S260-A264 PolarHBondContact O-N 2.75Å |
| 261 | S | 85 | Confident | 86.2 | Confident | 74 Ų | 74 | 65.6 Ų | 65.6 | 52% | 0.517 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 177.8 | -44.1 | 0 | 0 | 0 | 0 | 112.7 | N259 Q265 | N259-S261 VanDerWaalsContact C-N 3.27Å; N259-S261 PolarHBondContact O-N 2.96Å; N259-S261 PolarHBondContact OD1-N 3.19Å; S261-Q265 WeakPolarHBondContact O-CB 3.21Å; S261-Q265 PolarHBondContact O-N 3.02Å |
| 262 | Y | 85 | Confident | 86.3 | Confident | 125 Ų | 125 | 62.7 Ų | 62.7 | 49% | 0.49 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.9 | -37.8 | 174.4 | -68.5 | -49.9 | 0 | 0 | 0 | 111.7 | I237 N259 S260 Q265 H266 | I237-Y262 HydrophobicContact CG2-CE2 3.94Å; N259-Y262 HydrophobicContact CB-CD2 3.91Å; N259-Y262 HydrophobicContact CB-CE2 4.49Å; N259-Y262 PolarHBondContact O-N 3.26Å; S260-Y262 VanDerWaalsContact C-N 3.33Å; S260-Y262 PolarHBondContact O-N 3.46Å; Y262-Q265 PolarHBondContact O-N 3.13Å; Y262-H266 WeakPolarHBondContact O-CB 3.46Å; Y262-H266 PolarHBondContact O-N 2.96Å |
| 263 | L | 87.3 | Confident | 86.4 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 171.7 | 172.8 | 60.7 | 0 | 0 | 0 | 111.3 | H248 K249 C250 F257 N259 S260 Q265 H266 I267 | H248-L263 HydrophobicContact CB-CB 4.01Å; H248-L263 HydrophobicContact CB-CD2 3.79Å; K249-L263 WeakPolarHBondContact O-CD2 3.29Å; C250-L263 HydrophobicContact CB-CD1 3.89Å; F257-L263 HydrophobicContact CB-CB 4.3Å; F257-L263 HydrophobicContact CD2-CB 3.96Å; F257-L263 HydrophobicContact CD2-CD1 3.86Å; F257-L263 HydrophobicContact CE2-CD1 4.11Å; F257-L263 HydrophobicContact CG-CB 4.32Å; N259-L263 PolarHBondContact O-N 3.17Å; S260-L263 PolarHBondContact O-N 3.04Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.43Å; L263-H266 CarbonylContact O-C 3.56Å; L263-H266 WeakPolarHBondContact O-CA 3.32Å; L263-H266 WeakPolarHBondContact O-CB 3.42Å; L263-H266 PolarHBondContact O-N 3.41Å; L263-I267 HydrophobicContact CD1-CD1 3.88Å; L263-I267 HydrophobicContact CD1-CG1 3.92Å; L263-I267 HydrophobicContact CD2-CD1 4.43Å; L263-I267 HydrophobicContact CG-CD1 3.82Å; L263-I267 HydrophobicContact CG-CG1 4.33Å; L263-I267 WeakPolarHBondContact O-CG1 3.48Å; L263-I267 PolarHBondContact O-N 3.34Å |
| 264 | A | 86.7 | Confident | 86.5 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 49% | 0.488 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S260 H266 | S260-A264 WeakPolarHBondContact O-CB 3.45Å; S260-A264 PolarHBondContact O-N 2.75Å; A264-H266 VanDerWaalsContact C-N 3.34Å |
| 265 | Q | 87.5 | Confident | 86.7 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 29% | 0.29 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 171.7 | 178.8 | 176.4 | 87.2 | 0 | 0 | 112.7 | S261 Y262 L263 Q287 | S261-Q265 WeakPolarHBondContact O-CB 3.21Å; S261-Q265 PolarHBondContact O-N 3.02Å; Y262-Q265 PolarHBondContact O-N 3.13Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.43Å; Q265-Q287 HydrophobicContact CG-CG 4.39Å |
| 266 | H | 88.5 | Confident | 87.1 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 9% | 0.093 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.2 | -36.3 | 177.4 | 173.1 | 71.7 | 0 | 0 | 0 | 113.2 | C250 C253 F257 Y262 L263 A264 R268 I269 H270 | C250-H266 VanDerWaalsContact SG-CD2 3.54Å; C250-H266 PolarHBondContact SG-NE2 2.63Å; C253-H266 PolarHBondContact SG-NE2 3.06Å; F257-H266 HydrophobicContact CE1-CB 4.04Å; F257-H266 HydrophobicContact CE2-CB 3.79Å; F257-H266 AromaticContact CE2-CD2 3.41Å; F257-H266 VanDerWaalsContact CE2-CD2 3.41Å; F257-H266 WeakPolarHBondContact CE2-CD2 3.46Å; F257-H266 AromaticContact CE2-CG 3.54Å; F257-H266 HydrophobicContact CZ-CB 3.48Å; F257-H266 VanDerWaalsContact CZ-CB 3.48Å; F257-H266 AromaticContact CZ-CD2 3.56Å; F257-H266 AromaticContact CZ-CG 3.23Å; F257-H266 AromaticContact CZ-ND1 3.63Å; Y262-H266 WeakPolarHBondContact O-CB 3.46Å; Y262-H266 PolarHBondContact O-N 2.96Å; L263-H266 CarbonylContact O-C 3.56Å; L263-H266 WeakPolarHBondContact O-CA 3.32Å; L263-H266 WeakPolarHBondContact O-CB 3.42Å; L263-H266 PolarHBondContact O-N 3.41Å; A264-H266 VanDerWaalsContact C-N 3.34Å; H266-R268 PolarHBondContact O-N 3.23Å; H266-I269 WeakPolarHBondContact O-CA 3.45Å; H266-I269 WeakPolarHBondContact O-CB 3.2Å; H266-I269 VanDerWaalsContact O-CG1 3.29Å; H266-I269 WeakPolarHBondContact O-CG1 3.17Å; H266-I269 PolarHBondContact O-N 3.02Å; H266-H270 AromaticContact CD2-NE2 3.39Å; H266-H270 PolarHBondContact CD2-NE2 3.39Å; H266-H270 AromaticContact CE1-NE2 3.05Å; H266-H270 PolarHBondContact CE1-NE2 3.45Å; H266-H270 AromaticContact NE2-CD2 3.76Å; H266-H270 AromaticContact NE2-NE2 2.36Å; H266-H270 PolarHBondContact NE2-NE2 3.39Å |
| 267 | I | 88.9 | Confident | 87.5 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 28% | 0.277 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.9 | -31 | 177.6 | -71.5 | 165.5 | 0 | 0 | 0 | 111.4 | L263 I269 H270 S271 | L263-I267 HydrophobicContact CD1-CD1 3.88Å; L263-I267 HydrophobicContact CD1-CG1 3.92Å; L263-I267 HydrophobicContact CD2-CD1 4.43Å; L263-I267 HydrophobicContact CG-CD1 3.82Å; L263-I267 HydrophobicContact CG-CG1 4.33Å; L263-I267 WeakPolarHBondContact O-CG1 3.48Å; L263-I267 PolarHBondContact O-N 3.34Å; I267-I269 PolarHBondContact O-N 3.46Å; I267-H270 PolarHBondContact O-N 3.34Å; I267-S271 PolarHBondContact O-N 2.99Å; I267-S271 PolarHBondContact O-OG 3.33Å |
| 268 | R | 90.6 | Very high | 87.9 | Confident | 56 Ų | 56 | 59 Ų | 59 | 21% | 0.211 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.7 | -13.3 | 170.1 | -64.5 | -172.9 | -76.8 | -157 | -10.3 | 114.5 | H266 G272 A273 R286 | H266-R268 PolarHBondContact O-N 3.23Å; R268-G272 CarbonylContact O-C 3.26Å; R268-G272 PolarHBondContact O-N 3.03Å; R268-A273 HydrophobicContact CB-CB 4.47Å; R268-A273 HydrophobicContact CG-CB 4.29Å; R268-A273 PolarHBondContact O-N 3.08Å; R268-R286 PolarHBondContact NE-O 3.43Å; R268-R286 PolarHBondContact NH1-O 3.33Å; R268-R286 WeakPolarHBondContact O-CD 3.47Å; R268-R286 PolarHBondContact O-NE 3.06Å |
| 269 | I | 89 | Confident | 88.2 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 36% | 0.359 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71 | -51.5 | 169.9 | -57.3 | -176.2 | 0 | 0 | 0 | 109.9 | H266 I267 G272 R286 | H266-I269 WeakPolarHBondContact O-CA 3.45Å; H266-I269 WeakPolarHBondContact O-CB 3.2Å; H266-I269 VanDerWaalsContact O-CG1 3.29Å; H266-I269 WeakPolarHBondContact O-CG1 3.17Å; H266-I269 PolarHBondContact O-N 3.02Å; I267-I269 PolarHBondContact O-N 3.46Å; I269-G272 PolarHBondContact O-N 2.78Å; I269-R286 PolarHBondContact O-NH2 3.06Å |
| 270 | H | 88.6 | Confident | 88.5 | Confident | 88 Ų | 88 | 67.8 Ų | 67.8 | 41% | 0.407 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.8 | -46.4 | -178.6 | -63 | -73.8 | 0 | 0 | 0 | 112.7 | C250 H252 C253 H266 I267 G272 | C250-H270 PolarHBondContact SG-NE2 3.19Å; H252-H270 HydrophobicContact CB-CB 4.17Å; H252-H270 AromaticContact CD2-CG 3.87Å; H252-H270 AromaticContact CG-CG 4Å; H252-H270 PolarHBondContact O-CE1 2.66Å; H252-H270 VanDerWaalsContact O-CE1 3.27Å; C253-H270 WeakPolarHBondContact CB-CE1 3.47Å; C253-H270 VanDerWaalsContact SG-CE1 3.6Å; C253-H270 PolarHBondContact SG-NE2 2.9Å; H266-H270 AromaticContact CD2-NE2 3.39Å; H266-H270 PolarHBondContact CD2-NE2 3.39Å; H266-H270 AromaticContact CE1-NE2 3.05Å; H266-H270 PolarHBondContact CE1-NE2 3.45Å; H266-H270 AromaticContact NE2-CD2 3.76Å; H266-H270 AromaticContact NE2-NE2 2.36Å; H266-H270 PolarHBondContact NE2-NE2 3.39Å; I267-H270 PolarHBondContact O-N 3.34Å; H270-G272 PolarHBondContact O-N 3.39Å |
| 271 | S | 88.4 | Confident | 88.7 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 56% | 0.559 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -2.7 | 177.9 | 66.4 | 0 | 0 | 0 | 0 | 114.4 | I267 A273 | I267-S271 PolarHBondContact O-N 2.99Å; I267-S271 PolarHBondContact O-OG 3.33Å; S271-A273 PolarHBondContact O-N 2.91Å; S271-A273 WeakPolarHBondContact OG-CB 3.44Å |
| 272 | G | 87.8 | Confident | 89 | Confident | 35 Ų | 35 | 70 Ų | 70 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | trans | 66.3 | -4.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R268 I269 H270 K274 | R268-G272 CarbonylContact O-C 3.26Å; R268-G272 PolarHBondContact O-N 3.03Å; I269-G272 PolarHBondContact O-N 2.78Å; H270-G272 PolarHBondContact O-N 3.39Å; G272-K274 WeakPolarHBondContact O-CG 3.39Å; G272-K274 PolarHBondContact O-N 2.81Å | ||
| 273 | A | 89.3 | Confident | 89.2 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 35% | 0.347 | 38% | 0.375 | S | S | . | . | trans | -58.8 | 119 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R268 S271 P275 | R268-A273 HydrophobicContact CB-CB 4.47Å; R268-A273 HydrophobicContact CG-CB 4.29Å; R268-A273 PolarHBondContact O-N 3.08Å; S271-A273 PolarHBondContact O-N 2.91Å; S271-A273 WeakPolarHBondContact OG-CB 3.44Å; A273-P275 WeakPolarHBondContact O-CD 3.39Å | ||
| 274 | K | 90.8 | Very high | 89.5 | Confident | 115 Ų | 115 | 70.4 Ų | 70.4 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | trans | -121.6 | 75.7 | -179.2 | -71.7 | 157.7 | 176.9 | 178 | 0 | 110.4 | G272 Y276 S284 F285 R286 | G272-K274 WeakPolarHBondContact O-CG 3.39Å; G272-K274 PolarHBondContact O-N 2.81Å; K274-Y276 PolarHBondContact O-N 3.34Å; K274-Y276 VanDerWaalsContact O-N 3.16Å; K274-S284 WeakPolarHBondContact CD-O 3.39Å; K274-S284 WeakPolarHBondContact O-CB 3.44Å; K274-F285 CarbonylContact C-O 3.59Å; K274-F285 VanDerWaalsContact C-O 3.26Å; K274-F285 VanDerWaalsContact CA-O 3.31Å; K274-F285 WeakPolarHBondContact CA-O 3.25Å; K274-R286 HydrophobicContact CG-CG 3.94Å | ||
| 275 | P | 89.6 | Confident | 89.7 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | trans | -71.7 | -7.2 | -170.9 | 27.8 | -34.9 | 0 | 0 | 0 | 115.2 | A273 | A273-P275 WeakPolarHBondContact O-CD 3.39Š| ||
| 276 | Y | 91.7 | Very high | 89.8 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 99.4 | -176.1 | -52.3 | -73.8 | 0 | 0 | 0 | 111.1 | K274 S284 F285 L288 | K274-Y276 PolarHBondContact O-N 3.34Å; K274-Y276 VanDerWaalsContact O-N 3.16Å; Y276-S284 CarbonylContact O-C 3.52Å; Y276-S284 WeakPolarHBondContact O-CA 3.15Å; Y276-F285 PolarHBondContact N-O 2.83Å; Y276-F285 PolarHBondContact O-N 3.18Å; Y276-L288 HydrophobicContact CD1-CB 3.98Å; Y276-L288 HydrophobicContact CD1-CD1 3.95Å; Y276-L288 HydrophobicContact CD2-CB 4.44Å; Y276-L288 VanDerWaalsContact CD2-N 3.3Å; Y276-L288 HydrophobicContact CE1-CB 3.84Å; Y276-L288 HydrophobicContact CE1-CD1 4.36Å; Y276-L288 HydrophobicContact CE2-CB 4.29Å; Y276-L288 VanDerWaalsContact CE2-N 3.34Å; Y276-L288 HydrophobicContact CG-CB 4.28Å |
| 277 | T | 92 | Very high | 89.9 | Confident | 63 Ų | 63 | 72 Ų | 72 | 39% | 0.387 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 139.6 | -178.8 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | Q282 S284 | T277-Q282 HydrophobicContact CG2-CB 4.49Å; T277-S284 PolarHBondContact OG1-OG 3.36Å |
| 278 | C | 91.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.02 | 38% | 0.384 | C | S | . | . | trans | -82.4 | 119.4 | 175.7 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | Y280 C281 Q282 K283 F285 L291 | C278-Y280 VanDerWaalsContact C-N 3.27Å; C278-Y280 PolarHBondContact O-N 3.29Å; C278-C281 PolarHBondContact O-N 3.22Å; C278-Q282 WeakPolarHBondContact O-CA 3.37Å; C278-Q282 PolarHBondContact O-N 3.3Å; C278-K283 WeakPolarHBondContact CB-O 3.37Å; C278-K283 PolarHBondContact N-O 3.15Å; C278-F285 HydrophobicContact CB-CE2 4.3Å; C278-L291 HydrophobicContact CB-CD1 3.52Å | ||
| 279 | S | 88.4 | Confident | 89.7 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 62% | 0.622 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -35.6 | 177.9 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | Q282 | S279-Q282 PolarHBondContact O-NE2 3.08Š|
| 280 | Y | 87.2 | Confident | 89.7 | Confident | 148 Ų | 148 | 73.6 Ų | 73.6 | 58% | 0.58 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -29.7 | -175.3 | -62.1 | -77.5 | 0 | 0 | 0 | 114.8 | C278 H298 | C278-Y280 VanDerWaalsContact C-N 3.27Å; C278-Y280 PolarHBondContact O-N 3.29Å; Y280-H298 HydrophobicContact CD1-CB 4.29Å; Y280-H298 HydrophobicContact CD2-CB 3.82Å; Y280-H298 AromaticContact CD2-CD2 3.91Å; Y280-H298 HydrophobicContact CE2-CB 4.32Å; Y280-H298 HydrophobicContact CG-CB 3.8Å; Y280-H298 AromaticContact CG-CG 3.88Å |
| 281 | C | 89.2 | Confident | 89.8 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.8 | 14.3 | -172.9 | 75.6 | 0 | 0 | 0 | 0 | 114.5 | C278 K283 H294 H298 | C278-C281 PolarHBondContact O-N 3.22Å; C281-K283 PolarHBondContact O-N 2.96Å; C281-H294 PolarHBondContact SG-NE2 3.34Å; C281-H298 PolarHBondContact SG-NE2 3.15Å |
| 282 | Q | 91.3 | Very high | 89.7 | Confident | 135 Ų | 135 | 72.1 Ų | 72.1 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | trans | 51.8 | 19.6 | 179 | -53.1 | -58 | -17.3 | 0 | 0 | 116 | T277 C278 S279 | T277-Q282 HydrophobicContact CG2-CB 4.49Å; C278-Q282 WeakPolarHBondContact O-CA 3.37Å; C278-Q282 PolarHBondContact O-N 3.3Å; S279-Q282 PolarHBondContact O-NE2 3.08Å | ||
| 283 | K | 89.9 | Confident | 89.5 | Confident | 114 Ų | 114 | 73.9 Ų | 73.9 | 50% | 0.496 | 38% | 0.376 | S | S | . | . | trans | -77.1 | 125.5 | 174.9 | -72.6 | -177.4 | -179.4 | -177 | 0 | 109.9 | C278 C281 F285 | C278-K283 WeakPolarHBondContact CB-O 3.37Å; C278-K283 PolarHBondContact N-O 3.15Å; C281-K283 PolarHBondContact O-N 2.96Å; K283-F285 HydrophobicContact CB-CE2 4Å; K283-F285 HydrophobicContact CB-CZ 4.18Å; K283-F285 WeakPolarHBondContact O-CD2 3.17Å; K283-F285 WeakPolarHBondContact O-CE2 3.45Å | ||
| 284 | S | 92.6 | Very high | 89.4 | Confident | 43 Ų | 43 | 73.4 Ų | 73.4 | 30% | 0.301 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.8 | -178.6 | -44.8 | 0 | 0 | 0 | 0 | 113.3 | K274 Y276 T277 | K274-S284 WeakPolarHBondContact CD-O 3.39Å; K274-S284 WeakPolarHBondContact O-CB 3.44Å; Y276-S284 CarbonylContact O-C 3.52Å; Y276-S284 WeakPolarHBondContact O-CA 3.15Å; T277-S284 PolarHBondContact OG1-OG 3.36Å |
| 285 | F | 90.6 | Very high | 89.1 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 149.7 | -174.2 | -62.1 | -89.5 | 0 | 0 | 0 | 111.8 | K274 Y276 C278 K283 Q287 H290 L291 H294 | K274-F285 CarbonylContact C-O 3.59Å; K274-F285 VanDerWaalsContact C-O 3.26Å; K274-F285 VanDerWaalsContact CA-O 3.31Å; K274-F285 WeakPolarHBondContact CA-O 3.25Å; Y276-F285 PolarHBondContact N-O 2.83Å; Y276-F285 PolarHBondContact O-N 3.18Å; C278-F285 HydrophobicContact CB-CE2 4.3Å; K283-F285 HydrophobicContact CB-CE2 4Å; K283-F285 HydrophobicContact CB-CZ 4.18Å; K283-F285 WeakPolarHBondContact O-CD2 3.17Å; K283-F285 WeakPolarHBondContact O-CE2 3.45Å; F285-Q287 VanDerWaalsContact C-N 3.3Å; F285-H290 HydrophobicContact CB-CB 4.38Å; F285-H290 HydrophobicContact CD1-CB 4Å; F285-H290 HydrophobicContact CG-CB 4.45Å; F285-L291 HydrophobicContact CB-CB 4.31Å; F285-L291 HydrophobicContact CD2-CB 3.95Å; F285-L291 HydrophobicContact CD2-CD1 3.81Å; F285-L291 HydrophobicContact CD2-CG 4.47Å; F285-L291 HydrophobicContact CE2-CD1 4Å; F285-L291 HydrophobicContact CG-CB 4.28Å; F285-H294 HydrophobicContact CE1-CB 3.96Å; F285-H294 HydrophobicContact CE2-CB 3.92Å; F285-H294 AromaticContact CE2-CD2 3.44Å; F285-H294 VanDerWaalsContact CE2-CD2 3.44Å; F285-H294 WeakPolarHBondContact CE2-CD2 3.44Å; F285-H294 AromaticContact CE2-CG 3.69Å; F285-H294 HydrophobicContact CZ-CB 3.47Å; F285-H294 VanDerWaalsContact CZ-CB 3.47Å; F285-H294 AromaticContact CZ-CD2 3.44Å; F285-H294 VanDerWaalsContact CZ-CD2 3.44Å; F285-H294 WeakPolarHBondContact CZ-CD2 3.44Å; F285-H294 AromaticContact CZ-CG 3.23Å; F285-H294 AromaticContact CZ-ND1 3.75Å |
| 286 | R | 90.4 | Very high | 88.8 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 33% | 0.328 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -75.7 | -14.9 | 175.3 | -62.8 | -176.1 | 171.1 | 133.4 | -5.8 | 113.5 | R268 I269 K274 | R268-R286 PolarHBondContact NE-O 3.43Å; R268-R286 PolarHBondContact NH1-O 3.33Å; R268-R286 WeakPolarHBondContact O-CD 3.47Å; R268-R286 PolarHBondContact O-NE 3.06Å; I269-R286 PolarHBondContact O-NH2 3.06Å; K274-R286 HydrophobicContact CG-CG 3.94Å |
| 287 | Q | 89.6 | Confident | 88.2 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -141.2 | 142.7 | -176.4 | -52.6 | -173.2 | 17.8 | 0 | 0 | 111.3 | Q265 F285 S289 H290 L291 | Q265-Q287 HydrophobicContact CG-CG 4.39Å; F285-Q287 VanDerWaalsContact C-N 3.3Å; Q287-S289 PolarHBondContact OE1-OG 2.59Å; Q287-H290 HydrophobicContact CB-CB 4.41Å; Q287-H290 VanDerWaalsContact CD-CE1 3.44Å; Q287-H290 PolarHBondContact O-N 3.47Å; Q287-L291 PolarHBondContact O-N 2.87Å |
| 288 | L | 88.7 | Confident | 87.7 | Confident | 81 Ų | 81 | 68.9 Ų | 68.9 | 42% | 0.424 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 178.6 | -178.4 | 60.8 | 0 | 0 | 0 | 112.2 | Y276 H290 L291 Q292 | Y276-L288 HydrophobicContact CD1-CB 3.98Å; Y276-L288 HydrophobicContact CD1-CD1 3.95Å; Y276-L288 HydrophobicContact CD2-CB 4.44Å; Y276-L288 VanDerWaalsContact CD2-N 3.3Å; Y276-L288 HydrophobicContact CE1-CB 3.84Å; Y276-L288 HydrophobicContact CE1-CD1 4.36Å; Y276-L288 HydrophobicContact CE2-CB 4.29Å; Y276-L288 VanDerWaalsContact CE2-N 3.34Å; Y276-L288 HydrophobicContact CG-CB 4.28Å; L288-H290 VanDerWaalsContact C-N 3.31Å; L288-H290 PolarHBondContact O-N 3.36Å; L288-L291 HydrophobicContact CD1-CD2 4.39Å; L288-L291 PolarHBondContact O-N 3.43Å; L288-L291 VanDerWaalsContact O-N 3.16Å; L288-Q292 HydrophobicContact CD1-CG 4.46Å; L288-Q292 HydrophobicContact CG-CG 4.45Å; L288-Q292 WeakPolarHBondContact O-CG 3.48Å; L288-Q292 PolarHBondContact O-N 3.24Å |
| 289 | S | 87.3 | Confident | 86.9 | Confident | 55 Ų | 55 | 71 Ų | 71 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -53.7 | -46.4 | 173.1 | 48.2 | 0 | 0 | 0 | 0 | 112 | Q287 Q292 Q293 | Q287-S289 PolarHBondContact OE1-OG 2.59Å; S289-Q292 PolarHBondContact O-N 3.41Å; S289-Q293 VanDerWaalsContact O-CB 3.29Å; S289-Q293 WeakPolarHBondContact O-CB 3.42Å; S289-Q293 PolarHBondContact O-N 2.87Å |
| 290 | H | 88.9 | Confident | 85.8 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 177.7 | -61.2 | 165.2 | 0 | 0 | 0 | 112.3 | F285 Q287 L288 Q293 H294 | F285-H290 HydrophobicContact CB-CB 4.38Å; F285-H290 HydrophobicContact CD1-CB 4Å; F285-H290 HydrophobicContact CG-CB 4.45Å; Q287-H290 HydrophobicContact CB-CB 4.41Å; Q287-H290 VanDerWaalsContact CD-CE1 3.44Å; Q287-H290 PolarHBondContact O-N 3.47Å; L288-H290 VanDerWaalsContact C-N 3.31Å; L288-H290 PolarHBondContact O-N 3.36Å; H290-Q293 PolarHBondContact O-N 2.88Å; H290-H294 VanDerWaalsContact O-CB 3.24Å; H290-H294 WeakPolarHBondContact O-CB 3.29Å; H290-H294 PolarHBondContact O-N 2.84Å |
| 291 | L | 89.7 | Confident | 85 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 172.1 | 172.5 | 60 | 0 | 0 | 0 | 111.4 | C278 F285 Q287 L288 Q293 H294 S295 | C278-L291 HydrophobicContact CB-CD1 3.52Å; F285-L291 HydrophobicContact CB-CB 4.31Å; F285-L291 HydrophobicContact CD2-CB 3.95Å; F285-L291 HydrophobicContact CD2-CD1 3.81Å; F285-L291 HydrophobicContact CD2-CG 4.47Å; F285-L291 HydrophobicContact CE2-CD1 4Å; F285-L291 HydrophobicContact CG-CB 4.28Å; Q287-L291 PolarHBondContact O-N 2.87Å; L288-L291 HydrophobicContact CD1-CD2 4.39Å; L288-L291 PolarHBondContact O-N 3.43Å; L288-L291 VanDerWaalsContact O-N 3.16Å; L291-Q293 VanDerWaalsContact C-N 3.29Å; L291-Q293 PolarHBondContact O-N 3Å; L291-H294 CarbonylContact O-C 3.47Å; L291-H294 WeakPolarHBondContact O-CB 3.44Å; L291-H294 PolarHBondContact O-N 3.28Å; L291-H294 VanDerWaalsContact O-N 3.13Å; L291-S295 PolarHBondContact O-N 2.83Å; L291-S295 PolarHBondContact O-OG 3.19Å |
| 292 | Q | 86.6 | Confident | 84.5 | Confident | 108 Ų | 108 | 74.7 Ų | 74.7 | 51% | 0.505 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -33 | 177.2 | -71.6 | 177.3 | -13.6 | 0 | 0 | 112.8 | L288 S289 S295 | L288-Q292 HydrophobicContact CD1-CG 4.46Å; L288-Q292 HydrophobicContact CG-CG 4.45Å; L288-Q292 WeakPolarHBondContact O-CG 3.48Å; L288-Q292 PolarHBondContact O-N 3.24Å; S289-Q292 PolarHBondContact O-N 3.41Å; Q292-S295 PolarHBondContact O-OG 3.41Å; Q292-S295 VanDerWaalsContact O-OG 3.13Å |
| 293 | Q | 83.9 | Confident | 84.1 | Confident | 73 Ų | 73 | 71.4 Ų | 71.4 | 34% | 0.341 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 172.8 | -169 | -173.8 | -4.6 | 0 | 0 | 111.2 | S289 H290 L291 N315 | S289-Q293 VanDerWaalsContact O-CB 3.29Å; S289-Q293 WeakPolarHBondContact O-CB 3.42Å; S289-Q293 PolarHBondContact O-N 2.87Å; H290-Q293 PolarHBondContact O-N 2.88Å; L291-Q293 VanDerWaalsContact C-N 3.29Å; L291-Q293 PolarHBondContact O-N 3Å; Q293-N315 WeakPolarHBondContact CG-OD1 3.22Å; Q293-N315 PolarHBondContact NE2-ND2 2.84Å |
| 294 | H | 86.7 | Confident | 83.9 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 15% | 0.148 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71 | -41 | 177.3 | 172.6 | 69.4 | 0 | 0 | 0 | 112.8 | C281 F285 H290 L291 R296 N297 H298 | C281-H294 PolarHBondContact SG-NE2 3.34Å; F285-H294 HydrophobicContact CE1-CB 3.96Å; F285-H294 HydrophobicContact CE2-CB 3.92Å; F285-H294 AromaticContact CE2-CD2 3.44Å; F285-H294 VanDerWaalsContact CE2-CD2 3.44Å; F285-H294 WeakPolarHBondContact CE2-CD2 3.44Å; F285-H294 AromaticContact CE2-CG 3.69Å; F285-H294 HydrophobicContact CZ-CB 3.47Å; F285-H294 VanDerWaalsContact CZ-CB 3.47Å; F285-H294 AromaticContact CZ-CD2 3.44Å; F285-H294 VanDerWaalsContact CZ-CD2 3.44Å; F285-H294 WeakPolarHBondContact CZ-CD2 3.44Å; F285-H294 AromaticContact CZ-CG 3.23Å; F285-H294 AromaticContact CZ-ND1 3.75Å; H290-H294 VanDerWaalsContact O-CB 3.24Å; H290-H294 WeakPolarHBondContact O-CB 3.29Å; H290-H294 PolarHBondContact O-N 2.84Å; L291-H294 CarbonylContact O-C 3.47Å; L291-H294 WeakPolarHBondContact O-CB 3.44Å; L291-H294 PolarHBondContact O-N 3.28Å; L291-H294 VanDerWaalsContact O-N 3.13Å; H294-R296 PolarHBondContact O-N 3.07Å; H294-N297 WeakPolarHBondContact CA-ND2 3.48Å; H294-N297 WeakPolarHBondContact O-CB 3.29Å; H294-N297 PolarHBondContact O-N 2.87Å; H294-N297 PolarHBondContact O-ND2 2.99Å; H294-H298 AromaticContact CD2-NE2 3.86Å; H294-H298 AromaticContact CE1-NE2 3.54Å; H294-H298 AromaticContact NE2-CD2 3.79Å; H294-H298 AromaticContact NE2-NE2 3.03Å; H294-H298 PolarHBondContact NE2-NE2 3.48Å |
| 295 | S | 84.4 | Confident | 83.6 | Confident | 35 Ų | 35 | 74 Ų | 74 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -28.2 | -178 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | L291 Q292 N297 H298 T299 | L291-S295 PolarHBondContact O-N 2.83Å; L291-S295 PolarHBondContact O-OG 3.19Å; Q292-S295 PolarHBondContact O-OG 3.41Å; Q292-S295 VanDerWaalsContact O-OG 3.13Å; S295-N297 PolarHBondContact O-N 3.45Å; S295-N297 VanDerWaalsContact O-N 3.1Å; S295-H298 PolarHBondContact O-N 3.44Å; S295-T299 PolarHBondContact O-N 3.16Å |
| 296 | R | 83.9 | Confident | 83.7 | Confident | 70 Ų | 70 | 72.4 Ų | 72.4 | 26% | 0.264 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.8 | 170.1 | -67.5 | -179.6 | -163.9 | 171 | 7.6 | 114.9 | H294 A314 | H294-R296 PolarHBondContact O-N 3.07Å; R296-A314 HydrophobicContact CB-CB 3.77Å; R296-A314 WeakPolarHBondContact CD-O 3.28Å; R296-A314 PolarHBondContact NH1-O 2.85Å; R296-A314 VanDerWaalsContact NH1-O 3.08Å |
| 297 | N | 80.1 | Confident | 83.6 | Confident | 65 Ų | 65 | 73 Ų | 73 | 35% | 0.348 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -19.4 | 172.6 | -53.3 | -65.4 | 0 | 0 | 0 | 112.5 | H294 S295 | H294-N297 WeakPolarHBondContact CA-ND2 3.48Å; H294-N297 WeakPolarHBondContact O-CB 3.29Å; H294-N297 PolarHBondContact O-N 2.87Å; H294-N297 PolarHBondContact O-ND2 2.99Å; S295-N297 PolarHBondContact O-N 3.45Å; S295-N297 VanDerWaalsContact O-N 3.1Å |
| 298 | H | 80.6 | Confident | 83.6 | Confident | 67 Ų | 67 | 76 Ų | 76 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -33.9 | 175.4 | -62.5 | -66.1 | 0 | 0 | 0 | 111.7 | Y280 C281 H294 S295 | Y280-H298 HydrophobicContact CD1-CB 4.29Å; Y280-H298 HydrophobicContact CD2-CB 3.82Å; Y280-H298 AromaticContact CD2-CD2 3.91Å; Y280-H298 HydrophobicContact CE2-CB 4.32Å; Y280-H298 HydrophobicContact CG-CB 3.8Å; Y280-H298 AromaticContact CG-CG 3.88Å; C281-H298 PolarHBondContact SG-NE2 3.15Å; H294-H298 AromaticContact CD2-NE2 3.86Å; H294-H298 AromaticContact CE1-NE2 3.54Å; H294-H298 AromaticContact NE2-CD2 3.79Å; H294-H298 AromaticContact NE2-NE2 3.03Å; H294-H298 PolarHBondContact NE2-NE2 3.48Å; S295-H298 PolarHBondContact O-N 3.44Å |
| 299 | T | 74 | Confident | 83.7 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 29% | 0.288 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -79.5 | 146.7 | 168.7 | 68.5 | 0 | 0 | 0 | 0 | 110.7 | S295 S301 | S295-T299 PolarHBondContact O-N 3.16Å; T299-S301 PolarHBondContact O-N 3.19Å; T299-S301 PolarHBondContact OG1-N 3.16Å; T299-S301 PolarHBondContact OG1-OG 3.15Å |
| 300 | E | 67.1 | Low | 83.8 | Confident | 192 Ų | 192 | 78.1 Ų | 78.1 | 90% | 0.897 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -66.7 | -2.8 | 168 | -60.2 | -169.5 | 159.4 | 0 | 0 | 113.9 | K302 | E300-K302 VanDerWaalsContact C-N 3.29Å; E300-K302 PolarHBondContact O-N 2.81Å |
| 301 | S | 68.9 | Low | 83.7 | Confident | 69 Ų | 69 | 80.5 Ų | 80.5 | 48% | 0.483 | 41% | 0.413 | S | S | . | . | trans | -67.7 | 83.6 | 175.9 | 81.3 | 0 | 0 | 0 | 0 | 111.8 | T299 P303 | T299-S301 PolarHBondContact O-N 3.19Å; T299-S301 PolarHBondContact OG1-N 3.16Å; T299-S301 PolarHBondContact OG1-OG 3.15Å; S301-P303 VanDerWaalsContact C-CD 3.49Å; S301-P303 WeakPolarHBondContact O-CD 3.11Å | ||
| 302 | K | 80.1 | Confident | 83.6 | Confident | 101 Ų | 101 | 80.9 Ų | 80.9 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | trans | -102.7 | 83.2 | 172.7 | -63.1 | -172.9 | -165.3 | 170.8 | 0 | 109 | E300 H304 S312 F313 | E300-K302 VanDerWaalsContact C-N 3.29Å; E300-K302 PolarHBondContact O-N 2.81Å; K302-H304 PolarHBondContact O-N 2.88Å; K302-H304 VanDerWaalsContact O-N 3.12Å; K302-S312 WeakPolarHBondContact CD-O 3.42Å; K302-F313 CarbonylContact C-O 3.58Å | ||
| 303 | P | 81.6 | Confident | 83.6 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | trans | -69.1 | -11.6 | -168.5 | 27.1 | -36.3 | 0 | 0 | 0 | 114.6 | S301 | S301-P303 VanDerWaalsContact C-CD 3.49Å; S301-P303 WeakPolarHBondContact O-CD 3.11Å | ||
| 304 | H | 85.7 | Confident | 83.6 | Confident | 51 Ų | 51 | 74.7 Ų | 74.7 | 24% | 0.236 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 87.8 | -176.9 | -57.8 | -72.9 | 0 | 0 | 0 | 110.1 | K302 F313 S316 L319 | K302-H304 PolarHBondContact O-N 2.88Å; K302-H304 VanDerWaalsContact O-N 3.12Å; H304-F313 HydrophobicContact CB-CB 4.42Å; H304-F313 WeakPolarHBondContact CB-O 3.43Å; H304-F313 PolarHBondContact N-O 2.97Å; H304-F313 VanDerWaalsContact N-O 3.12Å; H304-F313 PolarHBondContact O-N 3.49Å; H304-S316 PolarHBondContact CD2-N 3.48Å; H304-S316 VanDerWaalsContact CD2-N 3.26Å; H304-S316 PolarHBondContact NE2-N 3.42Å; H304-L319 HydrophobicContact CB-CB 4.05Å; H304-L319 HydrophobicContact CB-CD2 3.81Å |
| 305 | K | 87.4 | Confident | 83.5 | Confident | 160 Ų | 160 | 73.6 Ų | 73.6 | 70% | 0.696 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 145.2 | 176.2 | -54.5 | -161.5 | 174.7 | -176.5 | 0 | 111.1 | S312 L319 | K305-S312 WeakPolarHBondContact CG-OG 3.21Å; K305-L319 VanDerWaalsContact O-CD2 3.31Å; K305-L319 WeakPolarHBondContact O-CD2 3.42Å |
| 306 | C | 92.3 | Very high | 83.6 | Confident | 11 Ų | 11 | 75.2 Ų | 75.2 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | trans | -77.2 | 136.6 | 169.6 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | H308 K311 F313 L319 H322 H326 | C306-H308 VanDerWaalsContact C-N 3.29Å; C306-H308 PolarHBondContact SG-N 3.37Å; C306-K311 VanDerWaalsContact CB-O 3.22Å; C306-K311 WeakPolarHBondContact CB-O 3.32Å; C306-K311 PolarHBondContact N-O 2.91Å; C306-F313 HydrophobicContact CB-CE2 4.45Å; C306-L319 HydrophobicContact CB-CD1 3.93Å; C306-H322 VanDerWaalsContact SG-CD2 3.53Å; C306-H326 PolarHBondContact SG-NE2 2.75Å | ||
| 307 | P | 89.1 | Confident | 83.7 | Confident | 98 Ų | 98 | 76 Ų | 76 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -74.6 | -18.3 | 174 | 29.3 | -34.7 | 0 | 0 | 0 | 113.2 | ||
| 308 | H | 88.7 | Confident | 84.1 | Confident | 108 Ų | 108 | 77.4 Ų | 77.4 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -105.7 | -4.1 | -174.5 | -54 | -63.5 | 0 | 0 | 0 | 114.1 | C306 H326 | C306-H308 VanDerWaalsContact C-N 3.29Å; C306-H308 PolarHBondContact SG-N 3.37Å; H308-H326 HydrophobicContact CB-CB 4.07Å; H308-H326 AromaticContact CD2-CG 3.98Å; H308-H326 PolarHBondContact O-CE1 3.34Å; H308-H326 VanDerWaalsContact O-CE1 3.24Å |
| 309 | C | 91.3 | Very high | 84.6 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 25% | 0.25 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -162 | 169.3 | 172.6 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | K311 H322 H326 | C309-K311 PolarHBondContact O-N 3.15Å; C309-H322 PolarHBondContact SG-NE2 3.22Å; C309-H322 VanDerWaalsContact SG-NE2 3.36Å; C309-H326 WeakPolarHBondContact CB-CE1 3.36Å; C309-H326 PolarHBondContact SG-CE1 3.15Å; C309-H326 PolarHBondContact SG-NE2 2.78Å |
| 310 | T | 88.6 | Confident | 85.3 | Confident | 143 Ų | 143 | 75.7 Ų | 75.7 | 88% | 0.877 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -64.2 | -6.7 | -179.7 | 56.2 | 0 | 0 | 0 | 0 | 115 | ||
| 311 | K | 86.8 | Confident | 86.4 | Confident | 129 Ų | 129 | 69.7 Ų | 69.7 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | trans | -72.6 | 131.7 | -175.8 | -63.7 | -176.7 | 178.4 | 179.2 | 0 | 111.5 | C306 C309 F313 | C306-K311 VanDerWaalsContact CB-O 3.22Å; C306-K311 WeakPolarHBondContact CB-O 3.32Å; C306-K311 PolarHBondContact N-O 2.91Å; C309-K311 PolarHBondContact O-N 3.15Å; K311-F313 HydrophobicContact CB-CE2 4.02Å; K311-F313 HydrophobicContact CB-CZ 4.05Å | ||
| 312 | S | 88.4 | Confident | 87.5 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149.2 | 177.5 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | K302 K305 | K302-S312 WeakPolarHBondContact CD-O 3.42Å; K305-S312 WeakPolarHBondContact CG-OG 3.21Å |
| 313 | F | 85.3 | Confident | 88 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 20% | 0.197 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.3 | -173 | -58.8 | -89.4 | 0 | 0 | 0 | 111.9 | K302 H304 C306 K311 N315 L319 H322 | K302-F313 CarbonylContact C-O 3.58Å; H304-F313 HydrophobicContact CB-CB 4.42Å; H304-F313 WeakPolarHBondContact CB-O 3.43Å; H304-F313 PolarHBondContact N-O 2.97Å; H304-F313 VanDerWaalsContact N-O 3.12Å; H304-F313 PolarHBondContact O-N 3.49Å; C306-F313 HydrophobicContact CB-CE2 4.45Å; K311-F313 HydrophobicContact CB-CE2 4.02Å; K311-F313 HydrophobicContact CB-CZ 4.05Å; F313-N315 PolarHBondContact O-N 3.28Å; F313-L319 HydrophobicContact CB-CB 4.32Å; F313-L319 HydrophobicContact CD2-CB 4.02Å; F313-L319 HydrophobicContact CD2-CD1 3.92Å; F313-L319 HydrophobicContact CE2-CD1 4.18Å; F313-L319 HydrophobicContact CG-CB 4.35Å; F313-H322 HydrophobicContact CE1-CB 4.03Å; F313-H322 HydrophobicContact CE2-CB 3.87Å; F313-H322 AromaticContact CE2-CD2 3.32Å; F313-H322 WeakPolarHBondContact CE2-CD2 3.47Å; F313-H322 AromaticContact CE2-CG 3.58Å; F313-H322 HydrophobicContact CZ-CB 3.52Å; F313-H322 AromaticContact CZ-CD2 3.43Å; F313-H322 VanDerWaalsContact CZ-CD2 3.43Å; F313-H322 WeakPolarHBondContact CZ-CD2 3.36Å; F313-H322 AromaticContact CZ-CG 3.22Å; F313-H322 AromaticContact CZ-ND1 3.68Å; F313-H322 AromaticContact CZ-NE2 3.98Å |
| 314 | A | 84.6 | Confident | 88.6 | Confident | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -67.7 | -24.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R296 | R296-A314 HydrophobicContact CB-CB 3.77Å; R296-A314 WeakPolarHBondContact CD-O 3.28Å; R296-A314 PolarHBondContact NH1-O 2.85Å; R296-A314 VanDerWaalsContact NH1-O 3.08Å |
| 315 | N | 83.7 | Confident | 88.8 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.053 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -135.4 | 138.9 | -168.7 | -53.8 | -33.4 | 0 | 0 | 0 | 111.7 | Q293 F313 S317 Y318 L319 | Q293-N315 WeakPolarHBondContact CG-OD1 3.22Å; Q293-N315 PolarHBondContact NE2-ND2 2.84Å; F313-N315 PolarHBondContact O-N 3.28Å; N315-S317 VanDerWaalsContact C-N 3.35Å; N315-S317 PolarHBondContact O-N 3.41Å; N315-Y318 HydrophobicContact CB-CD2 3.86Å; N315-Y318 HydrophobicContact CB-CE2 4.48Å; N315-Y318 HydrophobicContact CB-CG 4.33Å; N315-Y318 VanDerWaalsContact ND2-CD2 3.31Å; N315-Y318 WeakPolarHBondContact ND2-CD2 3.38Å; N315-Y318 WeakPolarHBondContact ND2-CE2 3.35Å; N315-Y318 PolarHBondContact O-N 3.41Å; N315-L319 PolarHBondContact O-N 3.45Å |
| 316 | S | 87 | Confident | 89 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 176.2 | 50.3 | 0 | 0 | 0 | 0 | 113 | H304 Y318 L319 A320 | H304-S316 PolarHBondContact CD2-N 3.48Å; H304-S316 VanDerWaalsContact CD2-N 3.26Å; H304-S316 PolarHBondContact NE2-N 3.42Å; S316-Y318 VanDerWaalsContact C-N 3.3Å; S316-Y318 PolarHBondContact O-N 3.42Å; S316-L319 WeakPolarHBondContact O-CB 3.4Å; S316-L319 PolarHBondContact O-N 3.42Å; S316-L319 VanDerWaalsContact O-N 3.15Å; S316-A320 PolarHBondContact O-N 2.9Å |
| 317 | S | 87.2 | Confident | 88.9 | Confident | 86 Ų | 86 | 66.3 Ų | 66.3 | 60% | 0.601 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.9 | -35.8 | 178.9 | -41.5 | 0 | 0 | 0 | 0 | 112.9 | N315 Q321 | N315-S317 VanDerWaalsContact C-N 3.35Å; N315-S317 PolarHBondContact O-N 3.41Å; S317-Q321 WeakPolarHBondContact O-CB 3.16Å; S317-Q321 PolarHBondContact O-N 2.87Å |
| 318 | Y | 88 | Confident | 88.9 | Confident | 95 Ų | 95 | 63.6 Ų | 63.6 | 37% | 0.373 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -73.8 | -36.2 | 175 | -66.7 | -32.6 | 0 | 0 | 0 | 111.9 | S9 N315 S316 Q321 H322 | S9-Y318 PolarHBondContact OG-OH 3.16Å; N315-Y318 HydrophobicContact CB-CD2 3.86Å; N315-Y318 HydrophobicContact CB-CE2 4.48Å; N315-Y318 HydrophobicContact CB-CG 4.33Å; N315-Y318 VanDerWaalsContact ND2-CD2 3.31Å; N315-Y318 WeakPolarHBondContact ND2-CD2 3.38Å; N315-Y318 WeakPolarHBondContact ND2-CE2 3.35Å; N315-Y318 PolarHBondContact O-N 3.41Å; S316-Y318 VanDerWaalsContact C-N 3.3Å; S316-Y318 PolarHBondContact O-N 3.42Å; Y318-Q321 PolarHBondContact O-N 3.22Å; Y318-H322 VanDerWaalsContact O-CB 3.26Å; Y318-H322 WeakPolarHBondContact O-CB 3.5Å; Y318-H322 PolarHBondContact O-N 3.3Å |
| 319 | L | 90.3 | Very high | 89.1 | Confident | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 170 | 171.6 | 61 | 0 | 0 | 0 | 111.1 | H304 K305 C306 F313 N315 S316 Q321 H322 I323 | H304-L319 HydrophobicContact CB-CB 4.05Å; H304-L319 HydrophobicContact CB-CD2 3.81Å; K305-L319 VanDerWaalsContact O-CD2 3.31Å; K305-L319 WeakPolarHBondContact O-CD2 3.42Å; C306-L319 HydrophobicContact CB-CD1 3.93Å; F313-L319 HydrophobicContact CB-CB 4.32Å; F313-L319 HydrophobicContact CD2-CB 4.02Å; F313-L319 HydrophobicContact CD2-CD1 3.92Å; F313-L319 HydrophobicContact CE2-CD1 4.18Å; F313-L319 HydrophobicContact CG-CB 4.35Å; N315-L319 PolarHBondContact O-N 3.45Å; S316-L319 WeakPolarHBondContact O-CB 3.4Å; S316-L319 PolarHBondContact O-N 3.42Å; S316-L319 VanDerWaalsContact O-N 3.15Å; L319-Q321 VanDerWaalsContact C-N 3.31Å; L319-Q321 PolarHBondContact O-N 3.03Å; L319-H322 CarbonylContact O-C 3.34Å; L319-H322 WeakPolarHBondContact O-CA 3.49Å; L319-H322 WeakPolarHBondContact O-CB 3.39Å; L319-H322 PolarHBondContact O-N 2.89Å; L319-I323 HydrophobicContact CD1-CD1 3.86Å; L319-I323 HydrophobicContact CD1-CG1 3.92Å; L319-I323 HydrophobicContact CD2-CD1 4.5Å; L319-I323 HydrophobicContact CG-CD1 3.85Å; L319-I323 HydrophobicContact CG-CG1 4.37Å; L319-I323 WeakPolarHBondContact O-CG1 3.44Å; L319-I323 PolarHBondContact O-N 2.92Å |
| 320 | A | 89.3 | Confident | 89.1 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 44% | 0.438 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S316 | S316-A320 PolarHBondContact O-N 2.9Å |
| 321 | Q | 90 | Very high | 89.3 | Confident | 66 Ų | 66 | 62 Ų | 62 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 172.6 | -172.6 | -176.2 | 58.2 | 0 | 0 | 112.2 | S317 Y318 L319 R324 Q343 | S317-Q321 WeakPolarHBondContact O-CB 3.16Å; S317-Q321 PolarHBondContact O-N 2.87Å; Y318-Q321 PolarHBondContact O-N 3.22Å; L319-Q321 VanDerWaalsContact C-N 3.31Å; L319-Q321 PolarHBondContact O-N 3.03Å; Q321-R324 WeakPolarHBondContact O-CB 3.28Å; Q321-Q343 VanDerWaalsContact CD-NE2 3.35Å; Q321-Q343 HydrophobicContact CG-CG 4.2Å |
| 322 | H | 91.8 | Very high | 89.6 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 9% | 0.093 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.6 | -37.1 | 176.8 | 172.8 | 66.5 | 0 | 0 | 0 | 113 | C306 C309 F313 Y318 L319 R324 I325 H326 | C306-H322 VanDerWaalsContact SG-CD2 3.53Å; C309-H322 PolarHBondContact SG-NE2 3.22Å; C309-H322 VanDerWaalsContact SG-NE2 3.36Å; F313-H322 HydrophobicContact CE1-CB 4.03Å; F313-H322 HydrophobicContact CE2-CB 3.87Å; F313-H322 AromaticContact CE2-CD2 3.32Å; F313-H322 WeakPolarHBondContact CE2-CD2 3.47Å; F313-H322 AromaticContact CE2-CG 3.58Å; F313-H322 HydrophobicContact CZ-CB 3.52Å; F313-H322 AromaticContact CZ-CD2 3.43Å; F313-H322 VanDerWaalsContact CZ-CD2 3.43Å; F313-H322 WeakPolarHBondContact CZ-CD2 3.36Å; F313-H322 AromaticContact CZ-CG 3.22Å; F313-H322 AromaticContact CZ-ND1 3.68Å; F313-H322 AromaticContact CZ-NE2 3.98Å; Y318-H322 VanDerWaalsContact O-CB 3.26Å; Y318-H322 WeakPolarHBondContact O-CB 3.5Å; Y318-H322 PolarHBondContact O-N 3.3Å; L319-H322 CarbonylContact O-C 3.34Å; L319-H322 WeakPolarHBondContact O-CA 3.49Å; L319-H322 WeakPolarHBondContact O-CB 3.39Å; L319-H322 PolarHBondContact O-N 2.89Å; H322-R324 PolarHBondContact O-N 3.44Å; H322-I325 WeakPolarHBondContact O-CB 3.33Å; H322-I325 VanDerWaalsContact O-CG1 3.29Å; H322-I325 WeakPolarHBondContact O-CG1 3.24Å; H322-I325 PolarHBondContact O-N 3Å; H322-H326 AromaticContact CD2-NE2 3.39Å; H322-H326 PolarHBondContact CD2-NE2 3.18Å; H322-H326 AromaticContact CE1-NE2 3.1Å; H322-H326 PolarHBondContact CE1-NE2 3.3Å; H322-H326 AromaticContact NE2-CD2 3.77Å; H322-H326 AromaticContact NE2-NE2 2.4Å; H322-H326 PolarHBondContact NE2-NE2 2.77Å |
| 323 | I | 91.4 | Very high | 89.9 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.2 | -31.3 | 177.5 | -72.7 | 165.6 | 0 | 0 | 0 | 111.4 | L319 I325 H326 T327 | L319-I323 HydrophobicContact CD1-CD1 3.86Å; L319-I323 HydrophobicContact CD1-CG1 3.92Å; L319-I323 HydrophobicContact CD2-CD1 4.5Å; L319-I323 HydrophobicContact CG-CD1 3.85Å; L319-I323 HydrophobicContact CG-CG1 4.37Å; L319-I323 WeakPolarHBondContact O-CG1 3.44Å; L319-I323 PolarHBondContact O-N 2.92Å; I323-I325 PolarHBondContact O-N 3.38Å; I323-H326 PolarHBondContact O-N 2.84Å; I323-T327 HydrophobicContact CG2-CG2 3.87Å; I323-T327 PolarHBondContact O-N 3.21Å; I323-T327 PolarHBondContact O-OG1 2.81Å |
| 324 | R | 92.9 | Very high | 90.3 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 27% | 0.272 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.6 | -15.8 | 172.5 | -57.4 | 177.1 | -171.9 | -172.7 | -4 | 114.5 | Q321 H322 G328 R342 | Q321-R324 WeakPolarHBondContact O-CB 3.28Å; H322-R324 PolarHBondContact O-N 3.44Å; R324-G328 PolarHBondContact O-N 3.31Å; R324-R342 HydrophobicContact CB-CB 4.42Å; R324-R342 PolarHBondContact NH1-O 3.44Å; R324-R342 WeakPolarHBondContact O-CD 3.41Å |
| 325 | I | 91.6 | Very high | 90.7 | Very high | 86 Ų | 86 | 64.7 Ų | 64.7 | 44% | 0.441 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.3 | -42.6 | 172.1 | -57 | -174.9 | 0 | 0 | 0 | 109.9 | H322 I323 | H322-I325 WeakPolarHBondContact O-CB 3.33Å; H322-I325 VanDerWaalsContact O-CG1 3.29Å; H322-I325 WeakPolarHBondContact O-CG1 3.24Å; H322-I325 PolarHBondContact O-N 3Å; I323-I325 PolarHBondContact O-N 3.38Å |
| 326 | H | 90.8 | Very high | 91 | Very high | 89 Ų | 89 | 71 Ų | 71 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -77.8 | -42.7 | -179.2 | -62.7 | -74.6 | 0 | 0 | 0 | 112.2 | C306 H308 C309 H322 I323 G328 | C306-H326 PolarHBondContact SG-NE2 2.75Å; H308-H326 HydrophobicContact CB-CB 4.07Å; H308-H326 AromaticContact CD2-CG 3.98Å; H308-H326 PolarHBondContact O-CE1 3.34Å; H308-H326 VanDerWaalsContact O-CE1 3.24Å; C309-H326 WeakPolarHBondContact CB-CE1 3.36Å; C309-H326 PolarHBondContact SG-CE1 3.15Å; C309-H326 PolarHBondContact SG-NE2 2.78Å; H322-H326 AromaticContact CD2-NE2 3.39Å; H322-H326 PolarHBondContact CD2-NE2 3.18Å; H322-H326 AromaticContact CE1-NE2 3.1Å; H322-H326 PolarHBondContact CE1-NE2 3.3Å; H322-H326 AromaticContact NE2-CD2 3.77Å; H322-H326 AromaticContact NE2-NE2 2.4Å; H322-H326 PolarHBondContact NE2-NE2 2.77Å; I323-H326 PolarHBondContact O-N 2.84Å; H326-G328 PolarHBondContact O-N 3.45Å |
| 327 | T | 90.4 | Very high | 91.3 | Very high | 75 Ų | 75 | 69.4 Ų | 69.4 | 46% | 0.46 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -79.1 | -4.7 | 178.9 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | I323 V329 | I323-T327 HydrophobicContact CG2-CG2 3.87Å; I323-T327 PolarHBondContact O-N 3.21Å; I323-T327 PolarHBondContact O-OG1 2.81Å; T327-V329 PolarHBondContact O-N 3.32Å; T327-V329 WeakPolarHBondContact OG1-CG2 3.44Å |
| 328 | G | 89.7 | Confident | 91.5 | Very high | 40 Ų | 40 | 73 Ų | 73 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | trans | 67.6 | -7.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R324 H326 K330 | R324-G328 PolarHBondContact O-N 3.31Å; H326-G328 PolarHBondContact O-N 3.45Å; G328-K330 WeakPolarHBondContact O-CG 3.39Å; G328-K330 PolarHBondContact O-N 3.31Å | ||
| 329 | V | 91.8 | Very high | 91.7 | Very high | 76 Ų | 76 | 74.2 Ų | 74.2 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | trans | -59 | 120.1 | -171.3 | 176.9 | 0 | 0 | 0 | 0 | 112 | T327 P331 | T327-V329 PolarHBondContact O-N 3.32Å; T327-V329 WeakPolarHBondContact OG1-CG2 3.44Å; V329-P331 WeakPolarHBondContact O-CD 3.48Å | ||
| 330 | K | 92.6 | Very high | 91.8 | Very high | 113 Ų | 113 | 75.3 Ų | 75.3 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | trans | -118.1 | 81.2 | -179.6 | -71.8 | 156.6 | 171.1 | -177.1 | 0 | 109.8 | G328 Y332 C340 F341 R342 | G328-K330 WeakPolarHBondContact O-CG 3.39Å; G328-K330 PolarHBondContact O-N 3.31Å; K330-Y332 PolarHBondContact O-N 3.17Å; K330-Y332 VanDerWaalsContact O-N 3.16Å; K330-C340 HydrophobicContact CB-CB 3.68Å; K330-C340 HydrophobicContact CD-CB 4.12Å; K330-C340 WeakPolarHBondContact CD-O 3.48Å; K330-C340 HydrophobicContact CG-CB 4.44Å; K330-F341 CarbonylContact C-O 3.35Å; K330-F341 VanDerWaalsContact C-O 3.25Å; K330-F341 VanDerWaalsContact CA-O 3.29Å; K330-F341 WeakPolarHBondContact CA-O 3.26Å; K330-R342 HydrophobicContact CG-CG 3.93Å | ||
| 331 | P | 91.5 | Very high | 92 | Very high | 67 Ų | 67 | 74.8 Ų | 74.8 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | trans | -79.2 | 5 | -169.1 | 33.2 | -34.2 | 0 | 0 | 0 | 114.3 | V329 F341 | V329-P331 WeakPolarHBondContact O-CD 3.48Å; P331-F341 WeakPolarHBondContact CD-O 3.48Å | ||
| 332 | Y | 94.5 | Very high | 92.1 | Very high | 71 Ų | 71 | 76.3 Ų | 76.3 | 28% | 0.278 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 98.4 | -179.2 | -51.1 | -72.8 | 0 | 0 | 0 | 110 | K330 C340 F341 L344 | K330-Y332 PolarHBondContact O-N 3.17Å; K330-Y332 VanDerWaalsContact O-N 3.16Å; Y332-C340 CarbonylContact O-C 3.25Å; Y332-C340 WeakPolarHBondContact O-CA 3.21Å; Y332-F341 PolarHBondContact N-O 3.34Å; Y332-F341 PolarHBondContact O-N 3.32Å; Y332-L344 HydrophobicContact CD1-CB 4.12Å; Y332-L344 HydrophobicContact CD1-CD1 4.04Å; Y332-L344 HydrophobicContact CD2-CB 4.45Å; Y332-L344 VanDerWaalsContact CD2-N 3.34Å; Y332-L344 HydrophobicContact CE1-CB 3.95Å; Y332-L344 HydrophobicContact CE1-CD1 4.41Å; Y332-L344 HydrophobicContact CE2-CB 4.27Å; Y332-L344 VanDerWaalsContact CE2-N 3.32Å; Y332-L344 HydrophobicContact CG-CB 4.38Å |
| 333 | S | 93.7 | Very high | 92.1 | Very high | 80 Ų | 80 | 77.3 Ų | 77.3 | 56% | 0.559 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 152.3 | 173.4 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | L347 | S333-L347 WeakPolarHBondContact O-CD2 3.38Å |
| 334 | C | 94.4 | Very high | 92.1 | Very high | 12 Ų | 12 | 79 Ų | 79 | 8% | 0.081 | 42% | 0.416 | C | S | . | . | trans | -84.8 | 143.3 | 167.4 | -166.9 | 0 | 0 | 0 | 0 | 110.4 | Y336 C337 K339 F341 L347 | C334-Y336 VanDerWaalsContact C-N 3.32Å; C334-C337 WeakPolarHBondContact CB-O 3.27Å; C334-C337 VanDerWaalsContact O-O 3.08Å; C334-K339 WeakPolarHBondContact CB-O 3.37Å; C334-K339 PolarHBondContact N-O 3.16Å; C334-K339 VanDerWaalsContact N-O 3.1Å; C334-F341 HydrophobicContact CB-CE2 4.49Å; C334-L347 HydrophobicContact CB-CD1 3.73Å | ||
| 335 | S | 92.6 | Very high | 92 | Very high | 108 Ų | 108 | 77 Ų | 77 | 76% | 0.755 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -80.1 | -13.4 | 176 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 336 | Y | 89.9 | Confident | 92 | Very high | 143 Ų | 143 | 76.4 Ų | 76.4 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -107.3 | -10.6 | -175.3 | -58 | -79.8 | 0 | 0 | 0 | 113.1 | C334 H354 | C334-Y336 VanDerWaalsContact C-N 3.32Å; Y336-H354 HydrophobicContact CD1-CB 4.34Å; Y336-H354 HydrophobicContact CD2-CB 3.85Å; Y336-H354 AromaticContact CD2-CD2 3.9Å; Y336-H354 HydrophobicContact CE2-CB 4.38Å; Y336-H354 HydrophobicContact CG-CB 3.83Å; Y336-H354 AromaticContact CG-CG 3.86Å |
| 337 | C | 92.4 | Very high | 92.2 | Very high | 34 Ų | 34 | 73.5 Ų | 73.5 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -166.8 | 164.5 | 175.2 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | C334 K339 H350 H354 | C334-C337 WeakPolarHBondContact CB-O 3.27Å; C334-C337 VanDerWaalsContact O-O 3.08Å; C337-K339 PolarHBondContact O-N 3.49Å; C337-H350 PolarHBondContact SG-NE2 2.87Å; C337-H350 VanDerWaalsContact SG-NE2 3.36Å; C337-H354 PolarHBondContact SG-NE2 3.36Å; C337-H354 VanDerWaalsContact SG-NE2 3.41Å |
| 338 | D | 91.7 | Very high | 92.3 | Very high | 161 Ų | 161 | 74.4 Ų | 74.4 | 86% | 0.861 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -71 | 9.8 | -174 | -48.7 | -65.3 | 0 | 0 | 0 | 115.4 | C340 | D338-C340 PolarHBondContact O-N 3.35Š|
| 339 | K | 91.6 | Very high | 92.3 | Very high | 120 Ų | 120 | 75.6 Ų | 75.6 | 52% | 0.522 | 39% | 0.39 | S | S | . | . | trans | -76 | 115.7 | -178.8 | -63.6 | -171.4 | -165.5 | -63.8 | 0 | 110.6 | C334 C337 F341 | C334-K339 WeakPolarHBondContact CB-O 3.37Å; C334-K339 PolarHBondContact N-O 3.16Å; C334-K339 VanDerWaalsContact N-O 3.1Å; C337-K339 PolarHBondContact O-N 3.49Å; K339-F341 HydrophobicContact CB-CE2 3.96Å; K339-F341 HydrophobicContact CB-CZ 4.04Å; K339-F341 WeakPolarHBondContact O-CD2 3.31Å; K339-F341 WeakPolarHBondContact O-CE2 3.23Å | ||
| 340 | C | 93.4 | Very high | 92.4 | Very high | 49 Ų | 49 | 73 Ų | 73 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.8 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | K330 Y332 D338 | K330-C340 HydrophobicContact CB-CB 3.68Å; K330-C340 HydrophobicContact CD-CB 4.12Å; K330-C340 WeakPolarHBondContact CD-O 3.48Å; K330-C340 HydrophobicContact CG-CB 4.44Å; Y332-C340 CarbonylContact O-C 3.25Å; Y332-C340 WeakPolarHBondContact O-CA 3.21Å; D338-C340 PolarHBondContact O-N 3.35Å |
| 341 | F | 92.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 69.3 Ų | 69.3 | 18% | 0.184 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 149.5 | -171.7 | -60.9 | -88.9 | 0 | 0 | 0 | 112.6 | K330 P331 Y332 C334 K339 Q343 H346 L347 H350 | K330-F341 CarbonylContact C-O 3.35Å; K330-F341 VanDerWaalsContact C-O 3.25Å; K330-F341 VanDerWaalsContact CA-O 3.29Å; K330-F341 WeakPolarHBondContact CA-O 3.26Å; P331-F341 WeakPolarHBondContact CD-O 3.48Å; Y332-F341 PolarHBondContact N-O 3.34Å; Y332-F341 PolarHBondContact O-N 3.32Å; C334-F341 HydrophobicContact CB-CE2 4.49Å; K339-F341 HydrophobicContact CB-CE2 3.96Å; K339-F341 HydrophobicContact CB-CZ 4.04Å; K339-F341 WeakPolarHBondContact O-CD2 3.31Å; K339-F341 WeakPolarHBondContact O-CE2 3.23Å; F341-Q343 VanDerWaalsContact C-N 3.35Å; F341-H346 HydrophobicContact CB-CB 4.36Å; F341-H346 HydrophobicContact CD1-CB 3.89Å; F341-H346 HydrophobicContact CG-CB 4.4Å; F341-L347 HydrophobicContact CB-CB 4.32Å; F341-L347 HydrophobicContact CD2-CB 3.96Å; F341-L347 HydrophobicContact CD2-CD1 3.92Å; F341-L347 HydrophobicContact CE2-CD1 4.11Å; F341-L347 HydrophobicContact CG-CB 4.27Å; F341-H350 HydrophobicContact CE1-CB 4.01Å; F341-H350 HydrophobicContact CE2-CB 3.93Å; F341-H350 AromaticContact CE2-CD2 3.45Å; F341-H350 VanDerWaalsContact CE2-CD2 3.45Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.49Å; F341-H350 AromaticContact CE2-CG 3.74Å; F341-H350 HydrophobicContact CZ-CB 3.47Å; F341-H350 VanDerWaalsContact CZ-CB 3.47Å; F341-H350 AromaticContact CZ-CD2 3.45Å; F341-H350 VanDerWaalsContact CZ-CD2 3.45Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.36Å; F341-H350 AromaticContact CZ-CG 3.29Å; F341-H350 AromaticContact CZ-ND1 3.91Å |
| 342 | R | 91.9 | Very high | 92.4 | Very high | 98 Ų | 98 | 69.2 Ų | 69.2 | 37% | 0.37 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -79 | -17.3 | 177.7 | -56.1 | 178.9 | -167.3 | 145.8 | 3.9 | 113.5 | R324 K330 | R324-R342 HydrophobicContact CB-CB 4.42Å; R324-R342 PolarHBondContact NH1-O 3.44Å; R324-R342 WeakPolarHBondContact O-CD 3.41Å; K330-R342 HydrophobicContact CG-CG 3.93Å |
| 343 | Q | 92.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 71 Ų | 71 | 19% | 0.192 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -138.3 | 140.9 | -174.9 | -52.5 | -171.4 | 14.3 | 0 | 0 | 110.9 | Q321 F341 S345 H346 L347 | Q321-Q343 VanDerWaalsContact CD-NE2 3.35Å; Q321-Q343 HydrophobicContact CG-CG 4.2Å; F341-Q343 VanDerWaalsContact C-N 3.35Å; Q343-S345 PolarHBondContact O-N 3.28Å; Q343-S345 PolarHBondContact OE1-OG 3.26Å; Q343-H346 HydrophobicContact CB-CB 4.5Å; Q343-H346 PolarHBondContact O-N 3.05Å; Q343-L347 PolarHBondContact O-N 3.21Å |
| 344 | L | 91.8 | Very high | 92 | Very high | 81 Ų | 81 | 70.5 Ų | 70.5 | 42% | 0.424 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 179.7 | -178.7 | 61.3 | 0 | 0 | 0 | 112.5 | Y332 H346 L347 Q348 | Y332-L344 HydrophobicContact CD1-CB 4.12Å; Y332-L344 HydrophobicContact CD1-CD1 4.04Å; Y332-L344 HydrophobicContact CD2-CB 4.45Å; Y332-L344 VanDerWaalsContact CD2-N 3.34Å; Y332-L344 HydrophobicContact CE1-CB 3.95Å; Y332-L344 HydrophobicContact CE1-CD1 4.41Å; Y332-L344 HydrophobicContact CE2-CB 4.27Å; Y332-L344 VanDerWaalsContact CE2-N 3.32Å; Y332-L344 HydrophobicContact CG-CB 4.38Å; L344-H346 VanDerWaalsContact C-N 3.29Å; L344-H346 PolarHBondContact O-N 3.35Å; L344-L347 HydrophobicContact CD1-CD2 4.25Å; L344-L347 WeakPolarHBondContact O-CB 3.49Å; L344-L347 PolarHBondContact O-N 3.48Å; L344-L347 VanDerWaalsContact O-N 3.15Å; L344-Q348 HydrophobicContact CD1-CG 4.47Å; L344-Q348 HydrophobicContact CG-CG 4.43Å; L344-Q348 WeakPolarHBondContact O-CG 3.34Å; L344-Q348 PolarHBondContact O-N 3.45Å |
| 345 | S | 90.5 | Very high | 91.7 | Very high | 32 Ų | 32 | 73.8 Ų | 73.8 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.4 | -41.8 | 174.6 | 46.5 | 0 | 0 | 0 | 0 | 112.3 | Q343 Q348 Q349 | Q343-S345 PolarHBondContact O-N 3.28Å; Q343-S345 PolarHBondContact OE1-OG 3.26Å; S345-Q348 PolarHBondContact O-N 3.32Å; S345-Q349 VanDerWaalsContact O-CB 3.28Å; S345-Q349 WeakPolarHBondContact O-CB 3.44Å; S345-Q349 PolarHBondContact O-N 3.01Å |
| 346 | H | 92.6 | Very high | 91.5 | Very high | 73 Ų | 73 | 70.9 Ų | 70.9 | 34% | 0.338 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.6 | -36.1 | 177.4 | -61.7 | 171.3 | 0 | 0 | 0 | 112 | F341 Q343 L344 Q349 H350 | F341-H346 HydrophobicContact CB-CB 4.36Å; F341-H346 HydrophobicContact CD1-CB 3.89Å; F341-H346 HydrophobicContact CG-CB 4.4Å; Q343-H346 HydrophobicContact CB-CB 4.5Å; Q343-H346 PolarHBondContact O-N 3.05Å; L344-H346 VanDerWaalsContact C-N 3.29Å; L344-H346 PolarHBondContact O-N 3.35Å; H346-Q349 PolarHBondContact O-N 2.92Å; H346-H350 VanDerWaalsContact O-CB 3.29Å; H346-H350 WeakPolarHBondContact O-CB 3.45Å; H346-H350 PolarHBondContact O-N 3.22Å |
| 347 | L | 94.3 | Very high | 91.5 | Very high | 28 Ų | 28 | 67.4 Ų | 67.4 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64 | -47.4 | 171.7 | 171 | 60.9 | 0 | 0 | 0 | 111.2 | S333 C334 F341 Q343 L344 Q349 H350 S351 | S333-L347 WeakPolarHBondContact O-CD2 3.38Å; C334-L347 HydrophobicContact CB-CD1 3.73Å; F341-L347 HydrophobicContact CB-CB 4.32Å; F341-L347 HydrophobicContact CD2-CB 3.96Å; F341-L347 HydrophobicContact CD2-CD1 3.92Å; F341-L347 HydrophobicContact CE2-CD1 4.11Å; F341-L347 HydrophobicContact CG-CB 4.27Å; Q343-L347 PolarHBondContact O-N 3.21Å; L344-L347 HydrophobicContact CD1-CD2 4.25Å; L344-L347 WeakPolarHBondContact O-CB 3.49Å; L344-L347 PolarHBondContact O-N 3.48Å; L344-L347 VanDerWaalsContact O-N 3.15Å; L347-Q349 VanDerWaalsContact C-N 3.29Å; L347-Q349 PolarHBondContact O-N 3.29Å; L347-H350 CarbonylContact O-C 3.4Å; L347-H350 WeakPolarHBondContact O-CB 3.27Å; L347-H350 PolarHBondContact O-N 2.85Å; L347-H350 VanDerWaalsContact O-N 3.08Å; L347-S351 PolarHBondContact O-N 2.8Å; L347-S351 PolarHBondContact O-OG 3.43Å |
| 348 | Q | 91.8 | Very high | 91.4 | Very high | 93 Ų | 93 | 72.3 Ų | 72.3 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -35.5 | 177.4 | -71.7 | 176.7 | -33 | 0 | 0 | 112.6 | L344 S345 S351 | L344-Q348 HydrophobicContact CD1-CG 4.47Å; L344-Q348 HydrophobicContact CG-CG 4.43Å; L344-Q348 WeakPolarHBondContact O-CG 3.34Å; L344-Q348 PolarHBondContact O-N 3.45Å; S345-Q348 PolarHBondContact O-N 3.32Å; Q348-S351 PolarHBondContact O-OG 3.43Å |
| 349 | Q | 91.1 | Very high | 91.3 | Very high | 65 Ų | 65 | 67.6 Ų | 67.6 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.6 | -35.7 | 172.9 | 177.1 | -176.8 | -18.7 | 0 | 0 | 112 | S345 H346 L347 Q373 | S345-Q349 VanDerWaalsContact O-CB 3.28Å; S345-Q349 WeakPolarHBondContact O-CB 3.44Å; S345-Q349 PolarHBondContact O-N 3.01Å; H346-Q349 PolarHBondContact O-N 2.92Å; L347-Q349 VanDerWaalsContact C-N 3.29Å; L347-Q349 PolarHBondContact O-N 3.29Å; Q349-Q373 HydrophobicContact CG-CG 4.16Å |
| 350 | H | 92.9 | Very high | 91.3 | Very high | 23 Ų | 23 | 64.8 Ų | 64.8 | 11% | 0.106 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.7 | -40.3 | 176.3 | 174.6 | 63.2 | 0 | 0 | 0 | 112.4 | C337 F341 H346 L347 R352 I353 H354 | C337-H350 PolarHBondContact SG-NE2 2.87Å; C337-H350 VanDerWaalsContact SG-NE2 3.36Å; F341-H350 HydrophobicContact CE1-CB 4.01Å; F341-H350 HydrophobicContact CE2-CB 3.93Å; F341-H350 AromaticContact CE2-CD2 3.45Å; F341-H350 VanDerWaalsContact CE2-CD2 3.45Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.49Å; F341-H350 AromaticContact CE2-CG 3.74Å; F341-H350 HydrophobicContact CZ-CB 3.47Å; F341-H350 VanDerWaalsContact CZ-CB 3.47Å; F341-H350 AromaticContact CZ-CD2 3.45Å; F341-H350 VanDerWaalsContact CZ-CD2 3.45Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.36Å; F341-H350 AromaticContact CZ-CG 3.29Å; F341-H350 AromaticContact CZ-ND1 3.91Å; H346-H350 VanDerWaalsContact O-CB 3.29Å; H346-H350 WeakPolarHBondContact O-CB 3.45Å; H346-H350 PolarHBondContact O-N 3.22Å; L347-H350 CarbonylContact O-C 3.4Å; L347-H350 WeakPolarHBondContact O-CB 3.27Å; L347-H350 PolarHBondContact O-N 2.85Å; L347-H350 VanDerWaalsContact O-N 3.08Å; H350-R352 PolarHBondContact O-N 3.32Å; H350-R352 VanDerWaalsContact O-N 3.15Å; H350-I353 VanDerWaalsContact O-CB 3.25Å; H350-I353 WeakPolarHBondContact O-CB 3.17Å; H350-I353 WeakPolarHBondContact O-CG1 3.46Å; H350-I353 PolarHBondContact O-N 3.23Å; H350-H354 AromaticContact CD2-NE2 3.95Å; H350-H354 AromaticContact CE1-NE2 3.65Å; H350-H354 AromaticContact NE2-CD2 3.82Å; H350-H354 AromaticContact NE2-NE2 3.13Å; H350-H354 PolarHBondContact NE2-NE2 3.4Å; H350-H354 VanDerWaalsContact NE2-NE2 3.13Å |
| 351 | S | 91.2 | Very high | 91.1 | Very high | 35 Ų | 35 | 69.4 Ų | 69.4 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -26.2 | -179.3 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | L347 Q348 I353 H354 T355 | L347-S351 PolarHBondContact O-N 2.8Å; L347-S351 PolarHBondContact O-OG 3.43Å; Q348-S351 PolarHBondContact O-OG 3.43Å; S351-I353 PolarHBondContact O-N 3.33Å; S351-H354 PolarHBondContact O-N 3.44Å; S351-T355 PolarHBondContact O-N 3.18Å; S351-T355 PolarHBondContact O-OG1 2.94Å |
| 352 | R | 92.7 | Very high | 91 | Very high | 65 Ų | 65 | 68 Ų | 68 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.1 | -21.4 | 170.5 | -68.1 | -175.9 | 178.3 | 160.3 | 6.4 | 114.6 | H350 T355 G356 D357 T372 | H350-R352 PolarHBondContact O-N 3.32Å; H350-R352 VanDerWaalsContact O-N 3.15Å; R352-T355 WeakPolarHBondContact CA-OG1 3.15Å; R352-G356 CarbonylContact O-C 3.56Å; R352-G356 WeakPolarHBondContact O-CA 3.45Å; R352-G356 PolarHBondContact O-N 3.42Å; R352-G356 VanDerWaalsContact O-N 3.15Å; R352-D357 HydrophobicContact CB-CB 4.32Å; R352-D357 HydrophobicContact CG-CB 4.08Å; R352-D357 IonicContact NE-OD2 3.31Å; R352-D357 PolarHBondContact NE-OD2 2.96Å; R352-D357 PolarHBondContact O-N 3.31Å; R352-D357 VanDerWaalsContact O-N 3.16Å; R352-T372 HydrophobicContact CB-CG2 4.19Å; R352-T372 PolarHBondContact NH1-O 2.9Å |
| 353 | I | 90 | Very high | 90.9 | Very high | 108 Ų | 108 | 69.2 Ų | 69.2 | 55% | 0.554 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72 | -41.1 | 175 | -59.6 | 172.2 | 0 | 0 | 0 | 109.6 | H350 S351 | H350-I353 VanDerWaalsContact O-CB 3.25Å; H350-I353 WeakPolarHBondContact O-CB 3.17Å; H350-I353 WeakPolarHBondContact O-CG1 3.46Å; H350-I353 PolarHBondContact O-N 3.23Å; S351-I353 PolarHBondContact O-N 3.33Å |
| 354 | H | 89.8 | Confident | 90.6 | Very high | 69 Ų | 69 | 71 Ų | 71 | 32% | 0.319 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -75.5 | -40.5 | 179 | -60.4 | -67.9 | 0 | 0 | 0 | 112.6 | Y336 C337 H350 S351 G356 | Y336-H354 HydrophobicContact CD1-CB 4.34Å; Y336-H354 HydrophobicContact CD2-CB 3.85Å; Y336-H354 AromaticContact CD2-CD2 3.9Å; Y336-H354 HydrophobicContact CE2-CB 4.38Å; Y336-H354 HydrophobicContact CG-CB 3.83Å; Y336-H354 AromaticContact CG-CG 3.86Å; C337-H354 PolarHBondContact SG-NE2 3.36Å; C337-H354 VanDerWaalsContact SG-NE2 3.41Å; H350-H354 AromaticContact CD2-NE2 3.95Å; H350-H354 AromaticContact CE1-NE2 3.65Å; H350-H354 AromaticContact NE2-CD2 3.82Å; H350-H354 AromaticContact NE2-NE2 3.13Å; H350-H354 PolarHBondContact NE2-NE2 3.4Å; H350-H354 VanDerWaalsContact NE2-NE2 3.13Å; S351-H354 PolarHBondContact O-N 3.44Å; H354-G356 VanDerWaalsContact C-N 3.28Å; H354-G356 PolarHBondContact O-N 3.44Å |
| 355 | T | 89.3 | Confident | 90.1 | Very high | 82 Ų | 82 | 72.4 Ų | 72.4 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -80.8 | -6.4 | 178 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | S351 R352 D357 | S351-T355 PolarHBondContact O-N 3.18Å; S351-T355 PolarHBondContact O-OG1 2.94Å; R352-T355 WeakPolarHBondContact CA-OG1 3.15Å; T355-D357 PolarHBondContact O-N 3.47Å; T355-D357 VanDerWaalsContact O-N 3.16Å; T355-D357 WeakPolarHBondContact OG1-CB 3.31Å; T355-D357 PolarHBondContact OG1-N 3.26Å |
| 356 | G | 88 | Confident | 89.7 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 47% | 0.474 | 42% | 0.416 | S | S | . | . | trans | 65.7 | 8.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | R352 H354 R358 | R352-G356 CarbonylContact O-C 3.56Å; R352-G356 WeakPolarHBondContact O-CA 3.45Å; R352-G356 PolarHBondContact O-N 3.42Å; R352-G356 VanDerWaalsContact O-N 3.15Å; H354-G356 VanDerWaalsContact C-N 3.28Å; H354-G356 PolarHBondContact O-N 3.44Å; G356-R358 WeakPolarHBondContact O-CG 3.07Å; G356-R358 PolarHBondContact O-N 3.2Å | ||
| 357 | D | 90.4 | Very high | 89.4 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | trans | -65 | 113.6 | -174.8 | 172.7 | 37.1 | 0 | 0 | 0 | 112.1 | R352 T355 P359 | R352-D357 HydrophobicContact CB-CB 4.32Å; R352-D357 HydrophobicContact CG-CB 4.08Å; R352-D357 IonicContact NE-OD2 3.31Å; R352-D357 PolarHBondContact NE-OD2 2.96Å; R352-D357 PolarHBondContact O-N 3.31Å; R352-D357 VanDerWaalsContact O-N 3.16Å; T355-D357 PolarHBondContact O-N 3.47Å; T355-D357 VanDerWaalsContact O-N 3.16Å; T355-D357 WeakPolarHBondContact OG1-CB 3.31Å; T355-D357 PolarHBondContact OG1-N 3.26Å; D357-P359 VanDerWaalsContact C-CD 3.49Å; D357-P359 WeakPolarHBondContact O-CD 3.43Å; D357-P359 WeakPolarHBondContact OD1-CD 3.11Å | ||
| 358 | R | 89.5 | Confident | 89.1 | Confident | 137 Ų | 137 | 80.1 Ų | 80.1 | 52% | 0.517 | 44% | 0.439 | S | S | . | . | trans | -123.4 | 71.5 | -176.6 | -68.6 | 167.9 | 106.5 | 111.5 | 0.3 | 109.8 | G356 Y360 S370 F371 T372 | G356-R358 WeakPolarHBondContact O-CG 3.07Å; G356-R358 PolarHBondContact O-N 3.2Å; R358-Y360 PolarHBondContact O-N 3.45Å; R358-S370 PolarHBondContact NE-O 3.26Å; R358-S370 PolarHBondContact NH2-O 3.4Å; R358-F371 CarbonylContact C-O 3.6Å; R358-F371 WeakPolarHBondContact CA-O 3.42Å; R358-T372 HydrophobicContact CG-CG2 3.97Å | ||
| 359 | P | 89.9 | Confident | 88.9 | Confident | 63 Ų | 63 | 81.5 Ų | 81.5 | 41% | 0.409 | 44% | 0.444 | S | S | . | . | trans | -70.1 | -15.5 | -171.1 | 28.2 | -33.9 | 0 | 0 | 0 | 113.1 | D357 K361 | D357-P359 VanDerWaalsContact C-CD 3.49Å; D357-P359 WeakPolarHBondContact O-CD 3.43Å; D357-P359 WeakPolarHBondContact OD1-CD 3.11Å; P359-K361 PolarHBondContact O-N 3.44Å | ||
| 360 | Y | 90.9 | Very high | 88.9 | Confident | 60 Ų | 60 | 79.8 Ų | 79.8 | 24% | 0.235 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 87.3 | -178.5 | -53.4 | -70.3 | 0 | 0 | 0 | 111 | R358 F371 T372 L374 | R358-Y360 PolarHBondContact O-N 3.45Å; Y360-F371 WeakPolarHBondContact CB-O 3.38Å; Y360-F371 PolarHBondContact N-O 2.84Å; Y360-F371 VanDerWaalsContact N-O 3.16Å; Y360-F371 PolarHBondContact O-N 2.87Å; Y360-T372 WeakPolarHBondContact CE2-O 3.4Å; Y360-L374 HydrophobicContact CD1-CB 4.09Å; Y360-L374 HydrophobicContact CD1-CD1 4.04Å; Y360-L374 HydrophobicContact CE1-CB 3.95Å; Y360-L374 HydrophobicContact CE1-CD1 4.39Å; Y360-L374 HydrophobicContact CE2-CB 4.39Å; Y360-L374 HydrophobicContact CG-CB 4.38Å |
| 361 | K | 89.8 | Confident | 88.7 | Confident | 146 Ų | 146 | 80.5 Ų | 80.5 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 146 | 175.9 | -52.5 | -162.3 | 176.4 | -178 | 0 | 111.7 | P359 S370 L377 | P359-K361 PolarHBondContact O-N 3.44Å; K361-S370 WeakPolarHBondContact CG-OG 3.36Å; K361-L377 WeakPolarHBondContact O-CD2 3.47Å |
| 362 | C | 91.3 | Very high | 88.7 | Confident | 14 Ų | 14 | 80 Ų | 80 | 10% | 0.095 | 44% | 0.437 | C | S | . | . | trans | -72.5 | 141 | 166.5 | -159 | 0 | 0 | 0 | 0 | 110.1 | C367 K369 L377 H384 | C362-C367 HydrophobicContact CB-CB 4.48Å; C362-K369 VanDerWaalsContact CB-O 3.27Å; C362-K369 WeakPolarHBondContact CB-O 3.42Å; C362-K369 PolarHBondContact N-O 3.15Å; C362-L377 HydrophobicContact CB-CD1 4.06Å; C362-H384 PolarHBondContact SG-NE2 3.38Å | ||
| 363 | T | 89.1 | Confident | 88.5 | Confident | 123 Ų | 123 | 79.6 Ų | 79.6 | 76% | 0.755 | 44% | 0.439 | S | S | * | . | trans | -110.2 | 13.7 | 177.2 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 364 | H | 84.8 | Confident | 88.4 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 36% | 0.361 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -80.8 | 135.4 | 177.6 | -169.2 | 72.9 | 0 | 0 | 0 | 109.5 | G366 C367 H384 | H364-G366 PolarHBondContact O-N 3.12Å; H364-C367 HydrophobicContact CB-CB 4.28Å; H364-C367 PolarHBondContact O-N 3.12Å; H364-H384 HydrophobicContact CB-CB 4.49Å; H364-H384 VanDerWaalsContact CB-CD2 3.46Å; H364-H384 WeakPolarHBondContact CB-CD2 3.49Å; H364-H384 AromaticContact CD2-CD2 3.9Å; H364-H384 AromaticContact CD2-CE1 3.86Å; H364-H384 AromaticContact CD2-CG 3.49Å; H364-H384 VanDerWaalsContact CD2-CG 3.49Å; H364-H384 AromaticContact CD2-ND1 3.5Å; H364-H384 AromaticContact CG-CD2 3.66Å; H364-H384 AromaticContact CG-CG 3.58Å |
| 365 | P | 82.4 | Confident | 88.2 | Confident | 110 Ų | 110 | 75.9 Ų | 75.9 | 71% | 0.714 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 135.9 | 178.2 | -26.6 | 35.5 | 0 | 0 | 0 | 111.8 | C367 | P365-C367 VanDerWaalsContact C-N 3.27Å; P365-C367 PolarHBondContact O-N 3.18Å |
| 366 | G | 82 | Confident | 88.2 | Confident | 94 Ų | 94 | 75.2 Ų | 75.2 | 97% | 0.969 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 13.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | H364 | H364-G366 PolarHBondContact O-N 3.12Š|
| 367 | C | 86.6 | Confident | 88.3 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | trans | -127.2 | 101.9 | 177.6 | -160.9 | 0 | 0 | 0 | 0 | 114.3 | C362 H364 P365 K369 H380 H384 | C362-C367 HydrophobicContact CB-CB 4.48Å; H364-C367 HydrophobicContact CB-CB 4.28Å; H364-C367 PolarHBondContact O-N 3.12Å; P365-C367 VanDerWaalsContact C-N 3.27Å; P365-C367 PolarHBondContact O-N 3.18Å; C367-K369 VanDerWaalsContact C-N 3.27Å; C367-K369 PolarHBondContact O-N 3.36Å; C367-H380 PolarHBondContact SG-NE2 2.78Å; C367-H384 PolarHBondContact SG-CE1 3.24Å; C367-H384 PolarHBondContact SG-NE2 3.26Å | ||
| 368 | E | 87 | Confident | 88 | Confident | 185 Ų | 185 | 75.2 Ų | 75.2 | 86% | 0.864 | 40% | 0.404 | S | S | * | . | trans | -85.6 | 6.6 | -179.1 | -59.1 | 179.6 | 171.7 | 0 | 0 | 113.9 | S370 | E368-S370 PolarHBondContact O-N 2.9Å; E368-S370 PolarHBondContact O-OG 3.41Å | ||
| 369 | K | 88.1 | Confident | 87.7 | Confident | 121 Ų | 121 | 70.5 Ų | 70.5 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | trans | -66.7 | 126.1 | -172.7 | -69.4 | 179.6 | -179.9 | 176.4 | 0 | 111.6 | C362 C367 F371 | C362-K369 VanDerWaalsContact CB-O 3.27Å; C362-K369 WeakPolarHBondContact CB-O 3.42Å; C362-K369 PolarHBondContact N-O 3.15Å; C367-K369 VanDerWaalsContact C-N 3.27Å; C367-K369 PolarHBondContact O-N 3.36Å; K369-F371 HydrophobicContact CB-CE2 3.85Å; K369-F371 HydrophobicContact CB-CZ 3.94Å | ||
| 370 | S | 90.7 | Very high | 87.6 | Confident | 30 Ų | 30 | 67.9 Ų | 67.9 | 21% | 0.21 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.7 | -179.4 | -57 | 0 | 0 | 0 | 0 | 111.6 | R358 K361 E368 | R358-S370 PolarHBondContact NE-O 3.26Å; R358-S370 PolarHBondContact NH2-O 3.4Å; K361-S370 WeakPolarHBondContact CG-OG 3.36Å; E368-S370 PolarHBondContact O-N 2.9Å; E368-S370 PolarHBondContact O-OG 3.41Å |
| 371 | F | 89.3 | Confident | 87.2 | Confident | 37 Ų | 37 | 71 Ų | 71 | 16% | 0.162 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.7 | -169.7 | -57.8 | -90.9 | 0 | 0 | 0 | 112.5 | R358 Y360 K369 Q373 N376 L377 H380 | R358-F371 CarbonylContact C-O 3.6Å; R358-F371 WeakPolarHBondContact CA-O 3.42Å; Y360-F371 WeakPolarHBondContact CB-O 3.38Å; Y360-F371 PolarHBondContact N-O 2.84Å; Y360-F371 VanDerWaalsContact N-O 3.16Å; Y360-F371 PolarHBondContact O-N 2.87Å; K369-F371 HydrophobicContact CB-CE2 3.85Å; K369-F371 HydrophobicContact CB-CZ 3.94Å; F371-Q373 VanDerWaalsContact C-N 3.31Å; F371-N376 HydrophobicContact CB-CB 4.26Å; F371-N376 HydrophobicContact CD1-CB 3.82Å; F371-N376 HydrophobicContact CG-CB 4.27Å; F371-L377 HydrophobicContact CB-CB 4.45Å; F371-L377 HydrophobicContact CD2-CB 3.97Å; F371-L377 HydrophobicContact CD2-CD1 3.93Å; F371-L377 HydrophobicContact CE2-CD1 4.09Å; F371-L377 HydrophobicContact CG-CB 4.37Å; F371-H380 HydrophobicContact CE1-CB 4.15Å; F371-H380 HydrophobicContact CE2-CB 3.92Å; F371-H380 AromaticContact CE2-CD2 3.36Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.29Å; F371-H380 AromaticContact CE2-CG 3.77Å; F371-H380 HydrophobicContact CZ-CB 3.5Å; F371-H380 VanDerWaalsContact CZ-CB 3.5Å; F371-H380 AromaticContact CZ-CD2 3.47Å; F371-H380 VanDerWaalsContact CZ-CD2 3.47Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.26Å; F371-H380 AromaticContact CZ-CG 3.41Å; F371-H380 VanDerWaalsContact CZ-CG 3.41Å |
| 372 | T | 90.1 | Very high | 86.8 | Confident | 24 Ų | 24 | 66.9 Ų | 66.9 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -76.6 | -16.9 | 175.5 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | R352 R358 Y360 | R352-T372 HydrophobicContact CB-CG2 4.19Å; R352-T372 PolarHBondContact NH1-O 2.9Å; R358-T372 HydrophobicContact CG-CG2 3.97Å; Y360-T372 WeakPolarHBondContact CE2-O 3.4Å |
| 373 | Q | 89.3 | Confident | 86.2 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 27% | 0.271 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -136.1 | 143.8 | -175.3 | -61.3 | 173.8 | 46.5 | 0 | 0 | 112.3 | Q349 F371 S375 N376 L377 | Q349-Q373 HydrophobicContact CG-CG 4.16Å; F371-Q373 VanDerWaalsContact C-N 3.31Å; Q373-S375 PolarHBondContact OE1-OG 3.01Å; Q373-N376 HydrophobicContact CB-CB 4.42Å; Q373-N376 PolarHBondContact O-N 2.88Å; Q373-L377 PolarHBondContact O-N 3.26Å |
| 374 | L | 88.2 | Confident | 85.7 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 29% | 0.293 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.1 | -37 | 178.7 | -178.9 | 61.4 | 0 | 0 | 0 | 112.9 | Y360 N376 L377 Q378 | Y360-L374 HydrophobicContact CD1-CB 4.09Å; Y360-L374 HydrophobicContact CD1-CD1 4.04Å; Y360-L374 HydrophobicContact CE1-CB 3.95Å; Y360-L374 HydrophobicContact CE1-CD1 4.39Å; Y360-L374 HydrophobicContact CE2-CB 4.39Å; Y360-L374 HydrophobicContact CG-CB 4.38Å; L374-N376 VanDerWaalsContact C-N 3.3Å; L374-N376 PolarHBondContact O-N 3.03Å; L374-L377 HydrophobicContact CD1-CD2 4.35Å; L374-L377 PolarHBondContact O-N 2.96Å; L374-Q378 HydrophobicContact CD1-CG 4.49Å; L374-Q378 HydrophobicContact CG-CG 4.44Å; L374-Q378 WeakPolarHBondContact O-CG 3.29Å; L374-Q378 PolarHBondContact O-N 3.02Å |
| 375 | S | 86.4 | Confident | 84.9 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 30% | 0.301 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.9 | -45.6 | 174.2 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | Q373 Q378 S379 | Q373-S375 PolarHBondContact OE1-OG 3.01Å; S375-Q378 PolarHBondContact O-N 3.49Å; S375-S379 PolarHBondContact O-N 3.08Å; S375-S379 PolarHBondContact O-OG 3.02Å |
| 376 | N | 88.3 | Confident | 84.2 | Confident | 68 Ų | 68 | 72.2 Ų | 72.2 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 178.7 | -64.7 | -2.3 | 0 | 0 | 0 | 111.2 | F371 Q373 L374 S379 H380 | F371-N376 HydrophobicContact CB-CB 4.26Å; F371-N376 HydrophobicContact CD1-CB 3.82Å; F371-N376 HydrophobicContact CG-CB 4.27Å; Q373-N376 HydrophobicContact CB-CB 4.42Å; Q373-N376 PolarHBondContact O-N 2.88Å; L374-N376 VanDerWaalsContact C-N 3.3Å; L374-N376 PolarHBondContact O-N 3.03Å; N376-S379 PolarHBondContact O-N 3.1Å; N376-H380 WeakPolarHBondContact O-CB 3.24Å; N376-H380 PolarHBondContact O-N 2.96Å |
| 377 | L | 89.3 | Confident | 83.4 | Confident | 15 Ų | 15 | 71.9 Ų | 71.9 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 171.9 | 174.9 | 61.8 | 0 | 0 | 0 | 111.8 | K361 C362 F371 Q373 L374 H380 R381 | K361-L377 WeakPolarHBondContact O-CD2 3.47Å; C362-L377 HydrophobicContact CB-CD1 4.06Å; F371-L377 HydrophobicContact CB-CB 4.45Å; F371-L377 HydrophobicContact CD2-CB 3.97Å; F371-L377 HydrophobicContact CD2-CD1 3.93Å; F371-L377 HydrophobicContact CE2-CD1 4.09Å; F371-L377 HydrophobicContact CG-CB 4.37Å; Q373-L377 PolarHBondContact O-N 3.26Å; L374-L377 HydrophobicContact CD1-CD2 4.35Å; L374-L377 PolarHBondContact O-N 2.96Å; L377-H380 PolarHBondContact O-N 2.74Å; L377-R381 HydrophobicContact CD1-CG 4Å; L377-R381 HydrophobicContact CG-CG 4.36Å; L377-R381 WeakPolarHBondContact O-CB 3.5Å; L377-R381 WeakPolarHBondContact O-CG 3.39Å; L377-R381 PolarHBondContact O-N 3.19Å |
| 378 | Q | 85.9 | Confident | 82.7 | Confident | 101 Ų | 101 | 75.9 Ų | 75.9 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 177.7 | -74 | 173.8 | -25.6 | 0 | 0 | 112.4 | L374 S375 R381 R382 | L374-Q378 HydrophobicContact CD1-CG 4.49Å; L374-Q378 HydrophobicContact CG-CG 4.44Å; L374-Q378 WeakPolarHBondContact O-CG 3.29Å; L374-Q378 PolarHBondContact O-N 3.02Å; S375-Q378 PolarHBondContact O-N 3.49Å; Q378-R381 PolarHBondContact O-N 2.83Å; Q378-R382 PolarHBondContact O-N 3.4Å; Q378-R382 PolarHBondContact O-NE 3.03Å |
| 379 | S | 83.1 | Confident | 82.1 | Confident | 38 Ų | 38 | 70.5 Ų | 70.5 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 172.7 | -64 | 0 | 0 | 0 | 0 | 112.3 | S375 N376 R382 | S375-S379 PolarHBondContact O-N 3.08Å; S375-S379 PolarHBondContact O-OG 3.02Å; N376-S379 PolarHBondContact O-N 3.1Å; S379-R382 PolarHBondContact OG-NH2 3Å |
| 380 | H | 86.5 | Confident | 81.5 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 3% | 0.032 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67 | -43 | 174.2 | 172.5 | 51.2 | 0 | 0 | 0 | 112.7 | C367 F371 N376 L377 R382 Q383 H384 | C367-H380 PolarHBondContact SG-NE2 2.78Å; F371-H380 HydrophobicContact CE1-CB 4.15Å; F371-H380 HydrophobicContact CE2-CB 3.92Å; F371-H380 AromaticContact CE2-CD2 3.36Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.29Å; F371-H380 AromaticContact CE2-CG 3.77Å; F371-H380 HydrophobicContact CZ-CB 3.5Å; F371-H380 VanDerWaalsContact CZ-CB 3.5Å; F371-H380 AromaticContact CZ-CD2 3.47Å; F371-H380 VanDerWaalsContact CZ-CD2 3.47Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.26Å; F371-H380 AromaticContact CZ-CG 3.41Å; F371-H380 VanDerWaalsContact CZ-CG 3.41Å; N376-H380 WeakPolarHBondContact O-CB 3.24Å; N376-H380 PolarHBondContact O-N 2.96Å; L377-H380 PolarHBondContact O-N 2.74Å; H380-R382 PolarHBondContact O-N 3.48Å; H380-Q383 PolarHBondContact ND1-OE1 3.08Å; H380-Q383 WeakPolarHBondContact O-CB 3.44Å; H380-Q383 WeakPolarHBondContact O-CG 3.44Å; H380-Q383 PolarHBondContact O-N 2.62Å; H380-H384 AromaticContact CD2-NE2 3.98Å; H380-H384 AromaticContact CE1-CE1 3.59Å; H380-H384 AromaticContact CE1-NE2 3.22Å; H380-H384 PolarHBondContact CE1-NE2 2.81Å; H380-H384 AromaticContact NE2-CD2 3.87Å; H380-H384 AromaticContact NE2-CE1 3.78Å; H380-H384 AromaticContact NE2-NE2 3.01Å; H380-H384 PolarHBondContact NE2-NE2 3.3Å |
| 381 | R | 83.6 | Confident | 80.9 | Confident | 126 Ų | 126 | 73.7 Ų | 73.7 | 48% | 0.475 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.4 | -31.7 | 178.5 | -78.8 | -179.1 | 67.3 | -171 | 0.4 | 113.3 | L377 Q378 Q383 H384 N385 | L377-R381 HydrophobicContact CD1-CG 4Å; L377-R381 HydrophobicContact CG-CG 4.36Å; L377-R381 WeakPolarHBondContact O-CB 3.5Å; L377-R381 WeakPolarHBondContact O-CG 3.39Å; L377-R381 PolarHBondContact O-N 3.19Å; Q378-R381 PolarHBondContact O-N 2.83Å; R381-Q383 PolarHBondContact O-N 2.95Å; R381-H384 PolarHBondContact O-N 3.4Å; R381-N385 PolarHBondContact O-N 3.38Å |
| 382 | R | 81.1 | Confident | 80.5 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 22% | 0.223 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.6 | -25.6 | 173.1 | -75.3 | 178.7 | -82.5 | -177.9 | -8.4 | 113.2 | Q378 S379 H380 K386 D387 I400 | Q378-R382 PolarHBondContact O-N 3.4Å; Q378-R382 PolarHBondContact O-NE 3.03Å; S379-R382 PolarHBondContact OG-NH2 3Å; H380-R382 PolarHBondContact O-N 3.48Å; R382-K386 PolarHBondContact O-N 2.78Å; R382-D387 PolarHBondContact O-N 2.99Å; R382-I400 HydrophobicContact CB-CG2 3.59Å; R382-I400 PolarHBondContact NH1-O 3.48Å |
| 383 | Q | 78.2 | Confident | 79.9 | Confident | 103 Ų | 103 | 75.6 Ų | 75.6 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 174.2 | -61.3 | 164.6 | 2.3 | 0 | 0 | 111.5 | H380 R381 K386 I400 | H380-Q383 PolarHBondContact ND1-OE1 3.08Å; H380-Q383 WeakPolarHBondContact O-CB 3.44Å; H380-Q383 WeakPolarHBondContact O-CG 3.44Å; H380-Q383 PolarHBondContact O-N 2.62Å; R381-Q383 PolarHBondContact O-N 2.95Å; Q383-K386 PolarHBondContact O-N 2.91Å; Q383-I400 HydrophobicContact CB-CD1 4.33Å; Q383-I400 HydrophobicContact CG-CD1 3.63Å |
| 384 | H | 78.1 | Confident | 79.1 | Confident | 51 Ų | 51 | 78.1 Ų | 78.1 | 24% | 0.236 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.6 | -45 | -179 | -64.9 | -46.2 | 0 | 0 | 0 | 112.6 | C362 H364 C367 H380 R381 K386 | C362-H384 PolarHBondContact SG-NE2 3.38Å; H364-H384 HydrophobicContact CB-CB 4.49Å; H364-H384 VanDerWaalsContact CB-CD2 3.46Å; H364-H384 WeakPolarHBondContact CB-CD2 3.49Å; H364-H384 AromaticContact CD2-CD2 3.9Å; H364-H384 AromaticContact CD2-CE1 3.86Å; H364-H384 AromaticContact CD2-CG 3.49Å; H364-H384 VanDerWaalsContact CD2-CG 3.49Å; H364-H384 AromaticContact CD2-ND1 3.5Å; H364-H384 AromaticContact CG-CD2 3.66Å; H364-H384 AromaticContact CG-CG 3.58Å; C367-H384 PolarHBondContact SG-CE1 3.24Å; C367-H384 PolarHBondContact SG-NE2 3.26Å; H380-H384 AromaticContact CD2-NE2 3.98Å; H380-H384 AromaticContact CE1-CE1 3.59Å; H380-H384 AromaticContact CE1-NE2 3.22Å; H380-H384 PolarHBondContact CE1-NE2 2.81Å; H380-H384 AromaticContact NE2-CD2 3.87Å; H380-H384 AromaticContact NE2-CE1 3.78Å; H380-H384 AromaticContact NE2-NE2 3.01Å; H380-H384 PolarHBondContact NE2-NE2 3.3Å; R381-H384 PolarHBondContact O-N 3.4Å; H384-K386 PolarHBondContact O-N 2.94Å |
| 385 | N | 69.6 | Low | 78.6 | Confident | 109 Ų | 109 | 77.7 Ų | 77.7 | 58% | 0.583 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -4.9 | -177.1 | -67.3 | 7.1 | 0 | 0 | 0 | 113.3 | R381 D387 | R381-N385 PolarHBondContact O-N 3.38Å; N385-D387 HydrophobicContact CB-CB 4.14Å; N385-D387 PolarHBondContact O-N 2.88Å |
| 386 | K | 65.9 | Low | 77.9 | Confident | 175 Ų | 175 | 81.6 Ų | 81.6 | 76% | 0.761 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 13.6 | -166.4 | -60.7 | 178.4 | -177.6 | 173.1 | 0 | 114.1 | R382 Q383 H384 K388 | R382-K386 PolarHBondContact O-N 2.78Å; Q383-K386 PolarHBondContact O-N 2.91Å; H384-K386 PolarHBondContact O-N 2.94Å; K386-K388 PolarHBondContact O-N 3.41Å |
| 387 | D | 66.3 | Low | 77.3 | Confident | 87 Ų | 87 | 84.2 Ų | 84.2 | 47% | 0.465 | 41% | 0.413 | S | S | . | . | trans | -69.3 | 122.2 | -179.6 | -174.6 | 10.3 | 0 | 0 | 0 | 108.8 | R382 N385 | R382-D387 PolarHBondContact O-N 2.99Å; N385-D387 HydrophobicContact CB-CB 4.14Å; N385-D387 PolarHBondContact O-N 2.88Å | ||
| 388 | K | 71.1 | Confident | 76.6 | Confident | 101 Ų | 101 | 84.2 Ų | 84.2 | 44% | 0.439 | 42% | 0.416 | S | S | . | . | trans | -129 | 75.1 | -172.5 | -78.4 | 163.4 | 165.9 | -124.1 | 0 | 107.8 | K386 Y390 G398 Y399 I400 | K386-K388 PolarHBondContact O-N 3.41Å; K388-Y390 PolarHBondContact O-N 2.87Å; K388-G398 VanDerWaalsContact CD-O 3.27Å; K388-G398 WeakPolarHBondContact CD-O 3.5Å; K388-G398 WeakPolarHBondContact CE-O 3.5Å; K388-G398 PolarHBondContact NZ-O 3.46Å; K388-Y399 CarbonylContact C-O 3.58Å; K388-Y399 VanDerWaalsContact CA-O 3.23Å; K388-Y399 WeakPolarHBondContact CA-O 3.32Å; K388-I400 HydrophobicContact CG-CG1 4.37Å | ||
| 389 | P | 75.1 | Confident | 76.2 | Confident | 72 Ų | 72 | 81.9 Ų | 81.9 | 47% | 0.468 | 40% | 0.403 | S | S | . | . | trans | -63.3 | -27.3 | -174.8 | -21.6 | 33.9 | 0 | 0 | 0 | 112.3 | K391 | P389-K391 PolarHBondContact O-N 3.35Š| ||
| 390 | Y | 74.8 | Confident | 75.8 | Confident | 76 Ų | 76 | 82 Ų | 82 | 30% | 0.298 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 90.3 | -174.7 | -60.8 | -80.5 | 0 | 0 | 0 | 109.8 | K388 Y399 I400 D401 A402 L405 | K388-Y390 PolarHBondContact O-N 2.87Å; Y390-Y399 PolarHBondContact N-O 3.35Å; Y390-Y399 PolarHBondContact O-N 3.2Å; Y390-I400 WeakPolarHBondContact CD2-O 3.29Å; Y390-D401 VanDerWaalsContact CD2-C 3.49Å; Y390-A402 HydrophobicContact CD1-CB 4.01Å; Y390-A402 HydrophobicContact CE1-CB 3.7Å; Y390-L405 HydrophobicContact CD1-CD2 4.41Å |
| 391 | K | 80 | Confident | 75.4 | Confident | 141 Ų | 141 | 84 Ų | 84 | 61% | 0.613 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 138.6 | 175.8 | -63.4 | -177.7 | -176.1 | 177.8 | 0 | 111 | P389 | P389-K391 PolarHBondContact O-N 3.35Å |
| 392 | C | 80.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 41% | 0.408 | C | S | . | . | trans | -67.1 | 124.1 | 168.7 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | N394 C395 N396 K397 L405 M409 H412 | C392-N394 VanDerWaalsContact C-N 3.33Å; C392-N394 PolarHBondContact O-N 3.13Å; C392-N394 PolarHBondContact SG-N 2.87Å; C392-C395 PolarHBondContact SG-N 3.44Å; C392-N396 WeakPolarHBondContact O-CA 3.48Å; C392-N396 PolarHBondContact O-N 2.82Å; C392-K397 HydrophobicContact CB-CB 4.47Å; C392-K397 PolarHBondContact N-O 3.31Å; C392-L405 HydrophobicContact CB-CD1 4.16Å; C392-M409 HydrophobicContact CB-CE 3.67Å; C392-M409 WeakPolarHBondContact SG-CE 3.49Å; C392-H412 VanDerWaalsContact SG-CD2 3.51Å; C392-H412 PolarHBondContact SG-NE2 3.41Å | ||
| 393 | P | 77.1 | Confident | 75.2 | Confident | 102 Ų | 102 | 80.1 Ų | 80.1 | 66% | 0.662 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -34.1 | 174.3 | 24.6 | -31.1 | 0 | 0 | 0 | 112.4 | M409 | P393-M409 HydrophobicContact CG-SD 4.45Š|
| 394 | N | 72.3 | Confident | 75.3 | Confident | 110 Ų | 110 | 77.8 Ų | 77.8 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -29.2 | -176.5 | -59.4 | 71.7 | 0 | 0 | 0 | 114.7 | C392 H412 | C392-N394 VanDerWaalsContact C-N 3.33Å; C392-N394 PolarHBondContact O-N 3.13Å; C392-N394 PolarHBondContact SG-N 2.87Å; N394-H412 HydrophobicContact CB-CB 4.15Å |
| 395 | C | 77.3 | Confident | 75.4 | Confident | 47 Ų | 47 | 76.7 Ų | 76.7 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.4 | 16.2 | -176.6 | 82.9 | 0 | 0 | 0 | 0 | 115.3 | C392 K397 H408 H412 | C392-C395 PolarHBondContact SG-N 3.44Å; C395-K397 PolarHBondContact O-N 3.03Å; C395-K397 VanDerWaalsContact SG-CG 3.59Å; C395-H408 PolarHBondContact SG-NE2 3.24Å; C395-H412 PolarHBondContact SG-CE1 2.8Å; C395-H412 PolarHBondContact SG-NE2 3.05Å |
| 396 | N | 73.1 | Confident | 75.9 | Confident | 126 Ų | 126 | 78.2 Ų | 78.2 | 67% | 0.674 | 41% | 0.413 | S | S | * | . | trans | 54.1 | 10.6 | 175.7 | -78.2 | -51.5 | 0 | 0 | 0 | 117.4 | C392 G398 | C392-N396 WeakPolarHBondContact O-CA 3.48Å; C392-N396 PolarHBondContact O-N 2.82Å; N396-G398 PolarHBondContact O-N 3.13Å | ||
| 397 | K | 74 | Confident | 76.5 | Confident | 123 Ų | 123 | 74.7 Ų | 74.7 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | trans | -64.5 | 126.4 | 173.1 | -74.2 | 177.6 | -173.4 | 174.6 | 0 | 109.4 | C392 C395 Y399 | C392-K397 HydrophobicContact CB-CB 4.47Å; C392-K397 PolarHBondContact N-O 3.31Å; C395-K397 PolarHBondContact O-N 3.03Å; C395-K397 VanDerWaalsContact SG-CG 3.59Å; K397-Y399 HydrophobicContact CB-CE2 3.61Å; K397-Y399 VanDerWaalsContact O-CD2 3.28Å; K397-Y399 WeakPolarHBondContact O-CD2 3.26Å; K397-Y399 WeakPolarHBondContact O-CE2 3.34Å | ||
| 398 | G | 75.8 | Confident | 77 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 14% | 0.144 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K388 N396 | K388-G398 VanDerWaalsContact CD-O 3.27Å; K388-G398 WeakPolarHBondContact CD-O 3.5Å; K388-G398 WeakPolarHBondContact CE-O 3.5Å; K388-G398 PolarHBondContact NZ-O 3.46Å; N396-G398 PolarHBondContact O-N 3.13Å |
| 399 | Y | 76.8 | Confident | 77.1 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 152.2 | -178.8 | -64.2 | -91.1 | 0 | 0 | 0 | 110.8 | K388 Y390 K397 L405 H408 | K388-Y399 CarbonylContact C-O 3.58Å; K388-Y399 VanDerWaalsContact CA-O 3.23Å; K388-Y399 WeakPolarHBondContact CA-O 3.32Å; Y390-Y399 PolarHBondContact N-O 3.35Å; Y390-Y399 PolarHBondContact O-N 3.2Å; K397-Y399 HydrophobicContact CB-CE2 3.61Å; K397-Y399 VanDerWaalsContact O-CD2 3.28Å; K397-Y399 WeakPolarHBondContact O-CD2 3.26Å; K397-Y399 WeakPolarHBondContact O-CE2 3.34Å; Y399-L405 HydrophobicContact CD2-CB 4.37Å; Y399-L405 HydrophobicContact CD2-CD1 3.67Å; Y399-L405 HydrophobicContact CE2-CD1 4.25Å; Y399-L405 HydrophobicContact CG-CB 4.31Å; Y399-L405 HydrophobicContact CG-CD1 4.43Å; Y399-H408 HydrophobicContact CE1-CB 3.92Å; Y399-H408 HydrophobicContact CE2-CB 3.99Å; Y399-H408 AromaticContact CE2-CD2 3.15Å; Y399-H408 WeakPolarHBondContact CE2-CD2 3.3Å; Y399-H408 AromaticContact CE2-CG 3.69Å; Y399-H408 AromaticContact CE2-NE2 3.91Å; Y399-H408 AromaticContact CZ-CD2 3.33Å; Y399-H408 AromaticContact CZ-CG 3.38Å; Y399-H408 PolarHBondContact OH-CD2 2.89Å; Y399-H408 PolarHBondContact OH-ND1 3.41Å; Y399-H408 PolarHBondContact OH-NE2 2.8Å |
| 400 | I | 75.8 | Confident | 77.1 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -78.8 | -33.9 | -174.9 | -74.2 | 162.1 | 0 | 0 | 0 | 111.2 | R382 Q383 K388 Y390 | R382-I400 HydrophobicContact CB-CG2 3.59Å; R382-I400 PolarHBondContact NH1-O 3.48Å; Q383-I400 HydrophobicContact CB-CD1 4.33Å; Q383-I400 HydrophobicContact CG-CD1 3.63Å; K388-I400 HydrophobicContact CG-CG1 4.37Å; Y390-I400 WeakPolarHBondContact CD2-O 3.29Å |
| 401 | D | 77.7 | Confident | 76.8 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -137.6 | 159.1 | -177 | 64.1 | -27.2 | 0 | 0 | 0 | 112.3 | Y390 A403 S404 L405 | Y390-D401 VanDerWaalsContact CD2-C 3.49Å; D401-A403 VanDerWaalsContact C-N 3.32Å; D401-A403 PolarHBondContact O-N 3.41Å; D401-S404 PolarHBondContact O-N 3.31Å; D401-S404 WeakPolarHBondContact OD1-CB 3.5Å; D401-S404 PolarHBondContact OD1-OG 3.37Å; D401-L405 PolarHBondContact O-N 3.08Å |
| 402 | A | 79.3 | Confident | 76.1 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.7 | -35.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y390 L405 E406 | Y390-A402 HydrophobicContact CD1-CB 4.01Å; Y390-A402 HydrophobicContact CE1-CB 3.7Å; A402-L405 CarbonylContact O-C 3.36Å; A402-L405 WeakPolarHBondContact O-CB 3.44Å; A402-L405 PolarHBondContact O-N 2.78Å; A402-E406 WeakPolarHBondContact O-CB 3.4Å; A402-E406 PolarHBondContact O-N 2.83Å |
| 403 | A | 80.1 | Confident | 75.3 | Confident | 55 Ų | 55 | 69.1 Ų | 69.1 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D401 L405 E406 V407 | D401-A403 VanDerWaalsContact C-N 3.32Å; D401-A403 PolarHBondContact O-N 3.41Å; A403-L405 VanDerWaalsContact C-N 3.29Å; A403-L405 PolarHBondContact O-N 3.43Å; A403-E406 PolarHBondContact O-N 3.07Å; A403-V407 WeakPolarHBondContact O-CG2 3.37Å; A403-V407 PolarHBondContact O-N 3.44Å |
| 404 | S | 80.6 | Confident | 74.4 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68 | -30.7 | 174 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | D401 H408 | D401-S404 PolarHBondContact O-N 3.31Å; D401-S404 WeakPolarHBondContact OD1-CB 3.5Å; D401-S404 PolarHBondContact OD1-OG 3.37Å; S404-H408 WeakPolarHBondContact O-CB 3.19Å; S404-H408 PolarHBondContact O-N 3.36Å |
| 405 | L | 81.4 | Confident | 73.4 | Confident | 29 Ų | 29 | 71 Ų | 71 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 170.8 | -179.8 | 69.7 | 0 | 0 | 0 | 110.8 | Y390 C392 Y399 D401 A402 A403 H408 M409 | Y390-L405 HydrophobicContact CD1-CD2 4.41Å; C392-L405 HydrophobicContact CB-CD1 4.16Å; Y399-L405 HydrophobicContact CD2-CB 4.37Å; Y399-L405 HydrophobicContact CD2-CD1 3.67Å; Y399-L405 HydrophobicContact CE2-CD1 4.25Å; Y399-L405 HydrophobicContact CG-CB 4.31Å; Y399-L405 HydrophobicContact CG-CD1 4.43Å; D401-L405 PolarHBondContact O-N 3.08Å; A402-L405 CarbonylContact O-C 3.36Å; A402-L405 WeakPolarHBondContact O-CB 3.44Å; A402-L405 PolarHBondContact O-N 2.78Å; A403-L405 VanDerWaalsContact C-N 3.29Å; A403-L405 PolarHBondContact O-N 3.43Å; L405-H408 CarbonylContact O-C 3.58Å; L405-H408 WeakPolarHBondContact O-CA 3.44Å; L405-H408 WeakPolarHBondContact O-CB 3.4Å; L405-H408 PolarHBondContact O-N 2.86Å; L405-M409 HydrophobicContact CD1-CE 3.4Å; L405-M409 VanDerWaalsContact CD1-CE 3.4Å; L405-M409 HydrophobicContact CD1-SD 4.25Å; L405-M409 HydrophobicContact CG-CE 4.06Å; L405-M409 HydrophobicContact CG-CG 4.36Å; L405-M409 HydrophobicContact CG-SD 4.49Å; L405-M409 WeakPolarHBondContact O-CE 3.38Å; L405-M409 WeakPolarHBondContact O-CG 3.18Å; L405-M409 PolarHBondContact O-N 3.05Å |
| 406 | E | 79.2 | Confident | 72.1 | Confident | 141 Ų | 141 | 77.2 Ų | 77.2 | 66% | 0.659 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.2 | -48 | 179.6 | -174.5 | 174.5 | -169.9 | 0 | 0 | 111.9 | A402 A403 H408 M409 S410 | A402-E406 WeakPolarHBondContact O-CB 3.4Å; A402-E406 PolarHBondContact O-N 2.83Å; A403-E406 PolarHBondContact O-N 3.07Å; E406-H408 PolarHBondContact O-N 2.9Å; E406-M409 PolarHBondContact O-N 3.26Å; E406-S410 PolarHBondContact O-N 3.49Å; E406-S410 VanDerWaalsContact O-N 3.08Å |
| 407 | V | 77.9 | Confident | 71.3 | Confident | 101 Ų | 101 | 73.6 Ų | 73.6 | 61% | 0.612 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.7 | -24.7 | 172 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | A403 S410 | A403-V407 WeakPolarHBondContact O-CG2 3.37Å; A403-V407 PolarHBondContact O-N 3.44Å; V407-S410 PolarHBondContact O-OG 3.19Å |
| 408 | H | 78.4 | Confident | 70.5 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 7% | 0.074 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -84.9 | -30.6 | 170.8 | 178.1 | 50.3 | 0 | 0 | 0 | 113.3 | C395 Y399 S404 L405 E406 S410 T411 H412 | C395-H408 PolarHBondContact SG-NE2 3.24Å; Y399-H408 HydrophobicContact CE1-CB 3.92Å; Y399-H408 HydrophobicContact CE2-CB 3.99Å; Y399-H408 AromaticContact CE2-CD2 3.15Å; Y399-H408 WeakPolarHBondContact CE2-CD2 3.3Å; Y399-H408 AromaticContact CE2-CG 3.69Å; Y399-H408 AromaticContact CE2-NE2 3.91Å; Y399-H408 AromaticContact CZ-CD2 3.33Å; Y399-H408 AromaticContact CZ-CG 3.38Å; Y399-H408 PolarHBondContact OH-CD2 2.89Å; Y399-H408 PolarHBondContact OH-ND1 3.41Å; Y399-H408 PolarHBondContact OH-NE2 2.8Å; S404-H408 WeakPolarHBondContact O-CB 3.19Å; S404-H408 PolarHBondContact O-N 3.36Å; L405-H408 CarbonylContact O-C 3.58Å; L405-H408 WeakPolarHBondContact O-CA 3.44Å; L405-H408 WeakPolarHBondContact O-CB 3.4Å; L405-H408 PolarHBondContact O-N 2.86Å; E406-H408 PolarHBondContact O-N 2.9Å; H408-S410 PolarHBondContact O-N 3.47Å; H408-T411 PolarHBondContact CE1-OG1 3.11Å; H408-T411 PolarHBondContact ND1-OG1 2.85Å; H408-T411 WeakPolarHBondContact O-CB 3.5Å; H408-T411 PolarHBondContact O-N 2.78Å; H408-T411 PolarHBondContact O-OG1 2.87Å; H408-H412 AromaticContact CD2-NE2 3.89Å; H408-H412 AromaticContact CE1-CD2 3.74Å; H408-H412 AromaticContact CE1-CE1 3.98Å; H408-H412 AromaticContact CE1-NE2 3.04Å; H408-H412 PolarHBondContact CE1-NE2 3.4Å; H408-H412 AromaticContact ND1-NE2 3.95Å; H408-H412 AromaticContact NE2-CD2 3.71Å; H408-H412 AromaticContact NE2-NE2 2.99Å; H408-H412 PolarHBondContact NE2-NE2 2.86Å; H408-H412 PolarHBondContact O-CD2 3.26Å |
| 409 | M | 72.3 | Confident | 69.8 | Low | 42 Ų | 42 | 79.8 Ų | 79.8 | 21% | 0.207 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 174.2 | -65.8 | -47.3 | 84.5 | 0 | 0 | 110.5 | C392 P393 L405 E406 T411 H412 T413 | C392-M409 HydrophobicContact CB-CE 3.67Å; C392-M409 WeakPolarHBondContact SG-CE 3.49Å; P393-M409 HydrophobicContact CG-SD 4.45Å; L405-M409 HydrophobicContact CD1-CE 3.4Å; L405-M409 VanDerWaalsContact CD1-CE 3.4Å; L405-M409 HydrophobicContact CD1-SD 4.25Å; L405-M409 HydrophobicContact CG-CE 4.06Å; L405-M409 HydrophobicContact CG-CG 4.36Å; L405-M409 HydrophobicContact CG-SD 4.49Å; L405-M409 WeakPolarHBondContact O-CE 3.38Å; L405-M409 WeakPolarHBondContact O-CG 3.18Å; L405-M409 PolarHBondContact O-N 3.05Å; E406-M409 PolarHBondContact O-N 3.26Å; M409-T411 PolarHBondContact O-N 3.16Å; M409-H412 PolarHBondContact O-N 2.92Å; M409-T413 PolarHBondContact O-N 3.25Å; M409-T413 PolarHBondContact O-OG1 2.86Å |
| 410 | S | 74.4 | Confident | 69.2 | Low | 65 Ų | 65 | 80.8 Ų | 80.8 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 8.3 | 168.2 | 62.7 | 0 | 0 | 0 | 0 | 115 | E406 V407 H408 V414 | E406-S410 PolarHBondContact O-N 3.49Å; E406-S410 VanDerWaalsContact O-N 3.08Å; V407-S410 PolarHBondContact O-OG 3.19Å; H408-S410 PolarHBondContact O-N 3.47Å; S410-V414 WeakPolarHBondContact O-CG2 3.17Å |
| 411 | T | 69.3 | Low | 68.4 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 34% | 0.344 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -11.9 | 163.7 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | H408 M409 | H408-T411 PolarHBondContact CE1-OG1 3.11Å; H408-T411 PolarHBondContact ND1-OG1 2.85Å; H408-T411 WeakPolarHBondContact O-CB 3.5Å; H408-T411 PolarHBondContact O-N 2.78Å; H408-T411 PolarHBondContact O-OG1 2.87Å; M409-T411 PolarHBondContact O-N 3.16Å |
| 412 | H | 65.3 | Low | 68.1 | Low | 63 Ų | 63 | 79.9 Ų | 79.9 | 29% | 0.292 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -32.6 | 177.2 | -68.1 | -71.4 | 0 | 0 | 0 | 113.4 | C392 N394 C395 H408 M409 V414 | C392-H412 VanDerWaalsContact SG-CD2 3.51Å; C392-H412 PolarHBondContact SG-NE2 3.41Å; N394-H412 HydrophobicContact CB-CB 4.15Å; C395-H412 PolarHBondContact SG-CE1 2.8Å; C395-H412 PolarHBondContact SG-NE2 3.05Å; H408-H412 AromaticContact CD2-NE2 3.89Å; H408-H412 AromaticContact CE1-CD2 3.74Å; H408-H412 AromaticContact CE1-CE1 3.98Å; H408-H412 AromaticContact CE1-NE2 3.04Å; H408-H412 PolarHBondContact CE1-NE2 3.4Å; H408-H412 AromaticContact ND1-NE2 3.95Å; H408-H412 AromaticContact NE2-CD2 3.71Å; H408-H412 AromaticContact NE2-NE2 2.99Å; H408-H412 PolarHBondContact NE2-NE2 2.86Å; H408-H412 PolarHBondContact O-CD2 3.26Å; M409-H412 PolarHBondContact O-N 2.92Å; H412-V414 PolarHBondContact O-N 3.25Å |
| 413 | T | 63.9 | Low | 67.6 | Low | 118 Ų | 118 | 80.9 Ų | 80.9 | 72% | 0.724 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -70.2 | 8.2 | 174.3 | 55.1 | 0 | 0 | 0 | 0 | 113 | M409 | M409-T413 PolarHBondContact O-N 3.25Å; M409-T413 PolarHBondContact O-OG1 2.86Å |
| 414 | V | 57.3 | Low | 67.2 | Low | 44 Ų | 44 | 83.8 Ų | 83.8 | 27% | 0.267 | 46% | 0.459 | S | S | . | . | trans | -137.1 | 81.8 | -153.7 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | S410 H412 H416 A417 | S410-V414 WeakPolarHBondContact O-CG2 3.17Å; H412-V414 PolarHBondContact O-N 3.25Å; V414-H416 WeakPolarHBondContact CG1-O 3.49Å; V414-H416 PolarHBondContact O-N 2.9Å; V414-A417 HydrophobicContact CG1-CB 3.51Å | ||
| 415 | K | 52.7 | Low | 67 | Low | 207 Ų | 207 | 83.6 Ų | 83.6 | 90% | 0.9 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -71.2 | -2.7 | 153.6 | -70.7 | -173.2 | 177.4 | -179 | 0 | 112.5 | ||
| 416 | H | 49.7 | Very low | 66.1 | Low | 178 Ų | 178 | 88.6 Ų | 88.6 | 82% | 0.824 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -126.5 | 53 | -178.5 | -65.5 | -75.8 | 0 | 0 | 0 | 112 | V414 K418 | V414-H416 WeakPolarHBondContact CG1-O 3.49Å; V414-H416 PolarHBondContact O-N 2.9Å; H416-K418 PolarHBondContact O-N 2.92Å |
| 417 | A | 55.5 | Low | 65.5 | Low | 49 Ų | 49 | 89.3 Ų | 89.3 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | trans | -78 | 125.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | V414 I419 | V414-A417 HydrophobicContact CG1-CB 3.51Å; A417-I419 HydrophobicContact CB-CG1 4.22Å; A417-I419 PolarHBondContact O-N 3.27Å | ||
| 418 | K | 56.4 | Low | 64.8 | Low | 159 Ų | 159 | 88.5 Ų | 88.5 | 69% | 0.691 | 48% | 0.48 | S | S | * | . | trans | -64.3 | 94.9 | 156.3 | -85.5 | -171.9 | 173.6 | -177.8 | 0 | 106.7 | H416 Y420 | H416-K418 PolarHBondContact O-N 2.92Å; K418-Y420 HydrophobicContact CB-CE1 4.39Å; K418-Y420 HydrophobicContact CB-CE2 3.96Å; K418-Y420 WeakPolarHBondContact O-CD2 3.45Å; K418-Y420 VanDerWaalsContact O-CE2 3.26Å; K418-Y420 WeakPolarHBondContact O-CE2 3.41Å; K418-Y420 PolarHBondContact O-N 3.21Å | ||
| 419 | I | 61.4 | Low | 64.4 | Low | 109 Ų | 109 | 90.1 Ų | 90.1 | 56% | 0.559 | 49% | 0.486 | S | S | * | . | trans | -72.7 | 107.6 | 168.7 | -63.8 | 175.6 | 0 | 0 | 0 | 105.3 | A417 S421 | A417-I419 HydrophobicContact CB-CG1 4.22Å; A417-I419 PolarHBondContact O-N 3.27Å; I419-S421 PolarHBondContact O-N 3.41Å | ||
| 420 | Y | 65.6 | Low | 64.1 | Low | 72 Ų | 72 | 93.3 Ų | 93.3 | 28% | 0.282 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 97.7 | 177.1 | -66.1 | -80 | 0 | 0 | 0 | 107.7 | K418 Y429 E432 | K418-Y420 HydrophobicContact CB-CE1 4.39Å; K418-Y420 HydrophobicContact CB-CE2 3.96Å; K418-Y420 WeakPolarHBondContact O-CD2 3.45Å; K418-Y420 VanDerWaalsContact O-CE2 3.26Å; K418-Y420 WeakPolarHBondContact O-CE2 3.41Å; K418-Y420 PolarHBondContact O-N 3.21Å; Y420-Y429 PolarHBondContact N-O 3.3Å; Y420-Y429 WeakPolarHBondContact O-CD2 3.23Å; Y420-Y429 PolarHBondContact O-N 3.32Å; Y420-E432 HydrophobicContact CD1-CB 4.41Å; Y420-E432 HydrophobicContact CD2-CB 4.36Å; Y420-E432 HydrophobicContact CE1-CB 4.12Å; Y420-E432 HydrophobicContact CE1-CG 4.35Å; Y420-E432 HydrophobicContact CE2-CB 4.06Å |
| 421 | S | 57.1 | Low | 63.6 | Low | 73 Ų | 73 | 92 Ų | 92 | 51% | 0.51 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 137.6 | 174.5 | 46.9 | 0 | 0 | 0 | 0 | 111 | I419 G423 R427 | I419-S421 PolarHBondContact O-N 3.41Å; S421-G423 PolarHBondContact O-N 2.85Å; S421-R427 CarbonylContact C-O 3.49Å; S421-R427 WeakPolarHBondContact CA-O 3.25Å |
| 422 | C | 71.3 | Confident | 63.5 | Low | 0 Ų | 0 | 94.9 Ų | 94.9 | 0% | 0 | 51% | 0.508 | C | S | . | . | trans | -80.5 | 112.9 | 171.1 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | L424 C425 N426 R427 Y429 L435 H442 | C422-L424 PolarHBondContact O-N 2.36Å; C422-C425 PolarHBondContact O-N 3.39Å; C422-C425 VanDerWaalsContact O-N 3.16Å; C422-N426 VanDerWaalsContact O-CA 3.3Å; C422-N426 WeakPolarHBondContact O-CA 3.46Å; C422-N426 PolarHBondContact O-N 3.13Å; C422-R427 PolarHBondContact N-O 3.11Å; C422-Y429 HydrophobicContact CB-CE2 4.43Å; C422-L435 HydrophobicContact CB-CD1 3.62Å; C422-H442 VanDerWaalsContact SG-CD2 3.56Å; C422-H442 PolarHBondContact SG-NE2 2.74Å; C422-H442 VanDerWaalsContact SG-NE2 3.44Å | ||
| 423 | G | 70.1 | Confident | 63.8 | Low | 69 Ų | 69 | 95.9 Ų | 95.9 | 71% | 0.711 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S421 | S421-G423 PolarHBondContact O-N 2.85Š|
| 424 | L | 70.4 | Confident | 64.2 | Low | 115 Ų | 115 | 97.7 Ų | 97.7 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -18 | 179.1 | -60.3 | 176.1 | 0 | 0 | 0 | 113.9 | C422 H442 | C422-L424 PolarHBondContact O-N 2.36Å; L424-H442 HydrophobicContact CD1-CB 3.6Å |
| 425 | C | 77 | Confident | 65 | Low | 49 Ų | 49 | 96.7 Ų | 96.7 | 33% | 0.331 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149 | 7.9 | -176.4 | 71.9 | 0 | 0 | 0 | 0 | 115 | C422 R427 H438 H442 | C422-C425 PolarHBondContact O-N 3.39Å; C422-C425 VanDerWaalsContact O-N 3.16Å; C425-R427 PolarHBondContact O-N 2.73Å; C425-H438 PolarHBondContact SG-NE2 3.21Å; C425-H442 PolarHBondContact SG-NE2 3.03Å |
| 426 | N | 62.6 | Low | 66.1 | Low | 134 Ų | 134 | 90.3 Ų | 90.3 | 72% | 0.717 | 49% | 0.485 | S | S | * | . | trans | 51.5 | 20.1 | -178.4 | -72.3 | -27.6 | 0 | 0 | 0 | 116.3 | C422 | C422-N426 VanDerWaalsContact O-CA 3.3Å; C422-N426 WeakPolarHBondContact O-CA 3.46Å; C422-N426 PolarHBondContact O-N 3.13Å | ||
| 427 | R | 67.6 | Low | 67.3 | Low | 156 Ų | 156 | 88 Ų | 88 | 59% | 0.589 | 47% | 0.472 | S | S | * | . | trans | -73.8 | 133.2 | 172 | -73.1 | -177.8 | 173.7 | 162.5 | 0.8 | 111.2 | S421 C422 C425 Y429 | S421-R427 CarbonylContact C-O 3.49Å; S421-R427 WeakPolarHBondContact CA-O 3.25Å; C422-R427 PolarHBondContact N-O 3.11Å; C425-R427 PolarHBondContact O-N 2.73Å; R427-Y429 HydrophobicContact CB-CE2 3.62Å; R427-Y429 WeakPolarHBondContact O-CD2 3.41Å; R427-Y429 WeakPolarHBondContact O-CE2 3.33Å | ||
| 428 | S | 61.9 | Low | 68.2 | Low | 85 Ų | 85 | 86.6 Ų | 86.6 | 59% | 0.594 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 135.8 | -178.4 | 42.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 429 | Y | 69.7 | Low | 68.7 | Low | 49 Ų | 49 | 83.1 Ų | 83.1 | 19% | 0.192 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.4 | 179.4 | -62.2 | -86.3 | 0 | 0 | 0 | 110.7 | Y420 C422 R427 S431 L435 H438 | Y420-Y429 PolarHBondContact N-O 3.3Å; Y420-Y429 WeakPolarHBondContact O-CD2 3.23Å; Y420-Y429 PolarHBondContact O-N 3.32Å; C422-Y429 HydrophobicContact CB-CE2 4.43Å; R427-Y429 HydrophobicContact CB-CE2 3.62Å; R427-Y429 WeakPolarHBondContact O-CD2 3.41Å; R427-Y429 WeakPolarHBondContact O-CE2 3.33Å; Y429-S431 VanDerWaalsContact C-N 3.29Å; Y429-L435 HydrophobicContact CD2-CB 4.28Å; Y429-L435 HydrophobicContact CD2-CD1 3.9Å; Y429-L435 HydrophobicContact CE2-CD1 4.27Å; Y429-L435 HydrophobicContact CG-CB 4.39Å; Y429-H438 HydrophobicContact CE1-CB 4.25Å; Y429-H438 HydrophobicContact CE2-CB 4.15Å; Y429-H438 AromaticContact CE2-CD2 3.28Å; Y429-H438 WeakPolarHBondContact CE2-CD2 3.39Å; Y429-H438 AromaticContact CE2-CG 3.85Å; Y429-H438 AromaticContact CZ-CD2 3.42Å; Y429-H438 VanDerWaalsContact CZ-CD2 3.42Å; Y429-H438 AromaticContact CZ-CG 3.56Å; Y429-H438 PolarHBondContact OH-CD2 3.04Å; Y429-H438 PolarHBondContact OH-NE2 3.05Å |
| 430 | T | 66.9 | Low | 69.4 | Low | 110 Ų | 110 | 83.9 Ų | 83.9 | 68% | 0.675 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -87.1 | 3.5 | 177.5 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 431 | S | 65 | Low | 69.5 | Low | 38 Ų | 38 | 88.7 Ų | 88.7 | 27% | 0.266 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -149 | 131.1 | -179.9 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | Y429 T433 Y434 L435 | Y429-S431 VanDerWaalsContact C-N 3.29Å; S431-T433 VanDerWaalsContact C-N 3.3Å; S431-T433 PolarHBondContact O-N 3.5Å; S431-T433 PolarHBondContact OG-OG1 3.26Å; S431-Y434 PolarHBondContact O-N 3.19Å; S431-L435 PolarHBondContact O-N 3.21Å; S431-L435 VanDerWaalsContact O-N 3.13Å |
| 432 | E | 65.6 | Low | 70.1 | Confident | 115 Ų | 115 | 88.3 Ų | 88.3 | 54% | 0.537 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -54.7 | -43.6 | 175.9 | -174.7 | 173.4 | -156.7 | 0 | 0 | 111.9 | Y420 Y434 L435 V436 | Y420-E432 HydrophobicContact CD1-CB 4.41Å; Y420-E432 HydrophobicContact CD2-CB 4.36Å; Y420-E432 HydrophobicContact CE1-CB 4.12Å; Y420-E432 HydrophobicContact CE1-CG 4.35Å; Y420-E432 HydrophobicContact CE2-CB 4.06Å; E432-Y434 PolarHBondContact O-N 3.21Å; E432-Y434 VanDerWaalsContact O-N 3.15Å; E432-L435 PolarHBondContact O-N 3.41Å; E432-V436 WeakPolarHBondContact O-CG2 3.16Å; E432-V436 PolarHBondContact O-N 3.35Å |
| 433 | T | 73.1 | Confident | 69.7 | Low | 84 Ų | 84 | 93.1 Ų | 93.1 | 52% | 0.515 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -25.4 | 178 | 65 | 0 | 0 | 0 | 0 | 113.9 | S431 K437 | S431-T433 VanDerWaalsContact C-N 3.3Å; S431-T433 PolarHBondContact O-N 3.5Å; S431-T433 PolarHBondContact OG-OG1 3.26Å; T433-K437 WeakPolarHBondContact O-CG 3.47Å; T433-K437 PolarHBondContact O-N 2.85Å |
| 434 | Y | 70.9 | Confident | 69 | Low | 156 Ų | 156 | 94.7 Ų | 94.7 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -85.6 | -30.7 | 174.2 | -85.4 | -91.9 | 0 | 0 | 0 | 112.4 | S431 E432 H438 | S431-Y434 PolarHBondContact O-N 3.19Å; E432-Y434 PolarHBondContact O-N 3.21Å; E432-Y434 VanDerWaalsContact O-N 3.15Å; Y434-H438 WeakPolarHBondContact O-CB 3.44Å; Y434-H438 PolarHBondContact O-N 2.81Å; Y434-H438 VanDerWaalsContact O-N 3.15Å |
| 435 | L | 74.8 | Confident | 67.9 | Low | 23 Ų | 23 | 96.1 Ų | 96.1 | 12% | 0.12 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 168.3 | 175.6 | 62.3 | 0 | 0 | 0 | 110.5 | C422 Y429 S431 E432 K437 H438 M439 | C422-L435 HydrophobicContact CB-CD1 3.62Å; Y429-L435 HydrophobicContact CD2-CB 4.28Å; Y429-L435 HydrophobicContact CD2-CD1 3.9Å; Y429-L435 HydrophobicContact CE2-CD1 4.27Å; Y429-L435 HydrophobicContact CG-CB 4.39Å; S431-L435 PolarHBondContact O-N 3.21Å; S431-L435 VanDerWaalsContact O-N 3.13Å; E432-L435 PolarHBondContact O-N 3.41Å; L435-K437 PolarHBondContact O-N 3.36Å; L435-H438 CarbonylContact O-C 3.49Å; L435-H438 WeakPolarHBondContact O-CA 3.42Å; L435-H438 WeakPolarHBondContact O-CB 3.37Å; L435-H438 PolarHBondContact O-N 3.34Å; L435-M439 HydrophobicContact CD1-CG 3.86Å; L435-M439 HydrophobicContact CD1-SD 4.19Å; L435-M439 HydrophobicContact CD2-SD 4.42Å; L435-M439 HydrophobicContact CG-CG 4.17Å; L435-M439 HydrophobicContact CG-SD 4.17Å; L435-M439 WeakPolarHBondContact O-CG 3.43Å; L435-M439 PolarHBondContact O-N 3.44Å |
| 436 | V | 74.6 | Confident | 66.4 | Low | 73 Ų | 73 | 101 Ų | 101 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.4 | -51 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | E432 H438 M439 E440 | E432-V436 WeakPolarHBondContact O-CG2 3.16Å; E432-V436 PolarHBondContact O-N 3.35Å; V436-H438 PolarHBondContact O-N 3.01Å; V436-H438 VanDerWaalsContact O-N 3.1Å; V436-M439 PolarHBondContact O-N 2.99Å; V436-E440 WeakPolarHBondContact O-CG 3.31Å; V436-E440 PolarHBondContact O-N 3.19Å |
| 437 | K | 75.4 | Confident | 65.7 | Low | 131 Ų | 131 | 103.1 Ų | 103.1 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -15.2 | 174.3 | -72.4 | 180 | 178.6 | 179.3 | 0 | 115.3 | T433 L435 E440 | T433-K437 WeakPolarHBondContact O-CG 3.47Å; T433-K437 PolarHBondContact O-N 2.85Å; L435-K437 PolarHBondContact O-N 3.36Å; K437-E440 WeakPolarHBondContact CA-OE2 3.47Å |
| 438 | H | 74.9 | Confident | 64.3 | Low | 19 Ų | 19 | 101.3 Ų | 101.3 | 9% | 0.088 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -89.5 | -36.7 | 171.6 | 176.5 | 44.1 | 0 | 0 | 0 | 111.8 | C425 Y429 Y434 L435 V436 K441 H442 | C425-H438 PolarHBondContact SG-NE2 3.21Å; Y429-H438 HydrophobicContact CE1-CB 4.25Å; Y429-H438 HydrophobicContact CE2-CB 4.15Å; Y429-H438 AromaticContact CE2-CD2 3.28Å; Y429-H438 WeakPolarHBondContact CE2-CD2 3.39Å; Y429-H438 AromaticContact CE2-CG 3.85Å; Y429-H438 AromaticContact CZ-CD2 3.42Å; Y429-H438 VanDerWaalsContact CZ-CD2 3.42Å; Y429-H438 AromaticContact CZ-CG 3.56Å; Y429-H438 PolarHBondContact OH-CD2 3.04Å; Y429-H438 PolarHBondContact OH-NE2 3.05Å; Y434-H438 WeakPolarHBondContact O-CB 3.44Å; Y434-H438 PolarHBondContact O-N 2.81Å; Y434-H438 VanDerWaalsContact O-N 3.15Å; L435-H438 CarbonylContact O-C 3.49Å; L435-H438 WeakPolarHBondContact O-CA 3.42Å; L435-H438 WeakPolarHBondContact O-CB 3.37Å; L435-H438 PolarHBondContact O-N 3.34Å; V436-H438 PolarHBondContact O-N 3.01Å; V436-H438 VanDerWaalsContact O-N 3.1Å; H438-K441 WeakPolarHBondContact O-CB 3.49Å; H438-K441 PolarHBondContact O-N 3.41Å; H438-K441 VanDerWaalsContact O-N 3.09Å; H438-H442 AromaticContact CD2-NE2 3.91Å; H438-H442 AromaticContact CE1-CD2 3.73Å; H438-H442 AromaticContact CE1-CE1 3.94Å; H438-H442 AromaticContact CE1-NE2 3.11Å; H438-H442 PolarHBondContact CE1-NE2 2.83Å; H438-H442 AromaticContact NE2-CD2 3.7Å; H438-H442 AromaticContact NE2-NE2 3Å; H438-H442 PolarHBondContact NE2-NE2 3.34Å; H438-H442 PolarHBondContact O-CD2 3.22Å |
| 439 | M | 67.6 | Low | 63.3 | Low | 86 Ų | 86 | 102.2 Ų | 102.2 | 42% | 0.424 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.8 | -33.9 | 174 | -67.1 | -164.2 | 72.1 | 0 | 0 | 112.3 | L435 V436 K441 H442 N443 | L435-M439 HydrophobicContact CD1-CG 3.86Å; L435-M439 HydrophobicContact CD1-SD 4.19Å; L435-M439 HydrophobicContact CD2-SD 4.42Å; L435-M439 HydrophobicContact CG-CG 4.17Å; L435-M439 HydrophobicContact CG-SD 4.17Å; L435-M439 WeakPolarHBondContact O-CG 3.43Å; L435-M439 PolarHBondContact O-N 3.44Å; V436-M439 PolarHBondContact O-N 2.99Å; M439-K441 PolarHBondContact O-N 3.49Å; M439-K441 VanDerWaalsContact O-N 3.09Å; M439-H442 PolarHBondContact O-N 2.93Å; M439-N443 PolarHBondContact O-N 3.41Å |
| 440 | E | 74.9 | Confident | 61.9 | Low | 125 Ų | 125 | 105.3 Ų | 105.3 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -23.9 | 166.7 | -73.7 | 168.4 | -175.3 | 0 | 0 | 113 | V436 K437 | V436-E440 WeakPolarHBondContact O-CG 3.31Å; V436-E440 PolarHBondContact O-N 3.19Å; K437-E440 WeakPolarHBondContact CA-OE2 3.47Å |
| 441 | K | 68.6 | Low | 60.6 | Low | 172 Ų | 172 | 106.5 Ų | 106.5 | 75% | 0.748 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -12.8 | 175.5 | -62.4 | -174.6 | 176.1 | -169 | 0 | 114.3 | H438 M439 | H438-K441 WeakPolarHBondContact O-CB 3.49Å; H438-K441 PolarHBondContact O-N 3.41Å; H438-K441 VanDerWaalsContact O-N 3.09Å; M439-K441 PolarHBondContact O-N 3.49Å; M439-K441 VanDerWaalsContact O-N 3.09Å |
| 442 | H | 68.6 | Low | 59.3 | Low | 65 Ų | 65 | 111.5 Ų | 111.5 | 30% | 0.301 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.1 | -25.7 | 173.4 | -73.1 | -68.3 | 0 | 0 | 0 | 112.1 | C422 L424 C425 H438 M439 P444 | C422-H442 VanDerWaalsContact SG-CD2 3.56Å; C422-H442 PolarHBondContact SG-NE2 2.74Å; C422-H442 VanDerWaalsContact SG-NE2 3.44Å; L424-H442 HydrophobicContact CD1-CB 3.6Å; C425-H442 PolarHBondContact SG-NE2 3.03Å; H438-H442 AromaticContact CD2-NE2 3.91Å; H438-H442 AromaticContact CE1-CD2 3.73Å; H438-H442 AromaticContact CE1-CE1 3.94Å; H438-H442 AromaticContact CE1-NE2 3.11Å; H438-H442 PolarHBondContact CE1-NE2 2.83Å; H438-H442 AromaticContact NE2-CD2 3.7Å; H438-H442 AromaticContact NE2-NE2 3Å; H438-H442 PolarHBondContact NE2-NE2 3.34Å; H438-H442 PolarHBondContact O-CD2 3.22Å; M439-H442 PolarHBondContact O-N 2.93Å; H442-P444 WeakPolarHBondContact O-CD 3.37Å |
| 443 | N | 63.7 | Low | 57.8 | Low | 102 Ų | 102 | 111.8 Ų | 111.8 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | trans | -120.6 | 82.5 | 178.6 | -91.8 | -9 | 0 | 0 | 0 | 112.4 | M439 | M439-N443 PolarHBondContact O-N 3.41Š| ||
| 444 | P | 54.9 | Low | 56 | Low | 102 Ų | 102 | 112.2 Ų | 112.2 | 66% | 0.662 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -73.6 | -30.4 | 158.9 | 28.2 | -30.7 | 0 | 0 | 0 | 113 | H442 | H442-P444 WeakPolarHBondContact O-CD 3.37Š|
| 445 | D | 46.8 | Very low | 54.1 | Low | 145 Ų | 145 | 109.5 Ų | 109.5 | 78% | 0.775 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -130.1 | 16 | -157.2 | -69.4 | -54.1 | 0 | 0 | 0 | 117.8 | ||
| 446 | Q | 45.7 | Very low | 52.3 | Low | 150 Ų | 150 | 118 Ų | 118 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | trans | -120.3 | 75.5 | 175.7 | -69.7 | -156.2 | 10 | 0 | 0 | 114.8 | T448 | Q446-T448 VanDerWaalsContact C-N 3.34Š| ||
| 447 | L | 49 | Very low | 50.3 | Low | 180 Ų | 180 | 119.5 Ų | 119.5 | 94% | 0.942 | 70% | 0.697 | S | S | * | * | trans | -90.3 | 56.2 | 158.2 | -107.8 | 169.2 | 0 | 0 | 0 | 111 | ||||
| 448 | T | 38.3 | Very low | 48.3 | Very low | 118 Ų | 118 | 117.8 Ų | 117.8 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -144 | 141.1 | 168.1 | 47 | 0 | 0 | 0 | 0 | 112 | Q446 | Q446-T448 VanDerWaalsContact C-N 3.34Š|
| 449 | A | 39.7 | Very low | 46.5 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | -51.4 | 162.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 450 | S | 40.7 | Very low | 45 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 101.2 | 63.9 | 159.9 | -165.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 451 | V | 38.9 | Very low | 42.8 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -140 | 70.1 | 150.3 | -160.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 452 | V | 38.2 | Very low | 41.2 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -116.8 | -9.6 | 173.3 | 174.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 453 | S | 34.3 | Very low | 39.4 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -122.7 | 19.8 | -164.3 | -51.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 454 | A | 35.6 | Very low | 37.9 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -125 | 25.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 455 | A | 31.1 | Very low | 36.6 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -136.7 | 32.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 456 | Q | 36.3 | Very low | 35.9 | Very low | 202 Ų | 202 | 141.5 Ų | 141.5 | 94% | 0.944 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -129.8 | 5.8 | 175.3 | -78.3 | -173.2 | -31.8 | 0 | 0 | 115 | ||
| 457 | A | 32.7 | Very low | 35 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -129.2 | 52.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 458 | A | 34.6 | Very low | 34.2 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 79% | 0.785 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -163.1 | 58 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 459 | Q | 35.9 | Very low | 33.6 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 92% | 0.921 | 85% | 0.852 | S | S | * | * | trans | -156.3 | 46.2 | 168.3 | -120 | 167.9 | 27.9 | 0 | 0 | 114.7 | ||||
| 460 | Q | 37.1 | Very low | 33 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 92% | 0.921 | 85% | 0.852 | S | S | * | * | trans | -140.5 | 75.8 | 166.1 | -80.1 | -166.6 | -16.1 | 0 | 0 | 111.6 | ||||
| 461 | S | 29 | Very low | 32.3 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 85% | 0.852 | S | S | * | * | trans | -172.4 | 149.2 | 161.5 | 52 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 462 | Q | 35.1 | Very low | 31.9 | Very low | 191 Ų | 191 | 139 Ų | 139 | 89% | 0.893 | 86% | 0.857 | S | S | * | * | trans | 81.4 | 67.6 | 171.4 | -54.5 | -176.3 | -0.9 | 0 | 0 | 117.4 | ||||
| 463 | S | 30 | Very low | 31.4 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | trans | -125.6 | 78.9 | 145.5 | 62.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 464 | Q | 31.4 | Very low | 31 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 90% | 0.902 | 85% | 0.851 | S | S | * | * | trans | -168.5 | 158.2 | 164.3 | -110.6 | 163.5 | 22.9 | 0 | 0 | 111 | ||||
| 465 | A | 28.6 | Very low | 30.6 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 83% | 0.826 | 85% | 0.846 | S | S | * | * | trans | 70.8 | 75 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 466 | Q | 31.5 | Very low | 30.3 | Very low | 207 Ų | 207 | 144.3 Ų | 144.3 | 97% | 0.967 | 84% | 0.842 | S | S | * | * | trans | -78.3 | 128.2 | 134.4 | -80.4 | -175.9 | -36.1 | 0 | 0 | 108 | ||||
| 467 | G | 28 | Very low | 29.9 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | trans | -166.1 | 103 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 468 | Q | 31 | Very low | 29.6 | Very low | 195 Ų | 195 | 140.1 Ų | 140.1 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | 68.1 | 115.7 | 157.1 | -62.4 | 179.2 | -14.6 | 0 | 0 | 120.4 | ||||
| 469 | A | 26.5 | Very low | 29.3 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | 47.9 | 128.9 | 126.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 470 | G | 26 | Very low | 28.8 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | 171.5 | 118.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 471 | A | 26.9 | Very low | 28.3 | Very low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -94.2 | 159.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 472 | Q | 30.5 | Very low | 28.3 | Very low | 198 Ų | 198 | 132.6 Ų | 132.6 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | 156.1 | 148.3 | 125.1 | -83.8 | 174 | 3.3 | 0 | 0 | 114.2 | |||||
| 473 | G | 26.6 | Very low | 28 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | trans | 77.1 | 129.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 474 | R | 26.4 | Very low | 28.1 | Very low | 229 Ų | 229 | 141.3 Ų | 141.3 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | cis | 59.5 | 128.4 | 29.7 | -131.2 | -162.4 | 167.5 | 158.1 | -2.5 | 111.3 | ||||
| 475 | V | 27.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 66% | 0.661 | 83% | 0.826 | S | S | * | * | cis | -151.6 | 169 | 27.1 | -147.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 476 | E | 25.5 | Very low | 28.1 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | trans | -26.9 | 177.6 | 168.2 | -67.8 | 159 | 85.1 | 0 | 0 | 124.7 | ||||
| 477 | S | 27.4 | Very low | 27.9 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | trans | 91.6 | 114.7 | 157.2 | -62.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 478 | T | 26.7 | Very low | 27.9 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 73% | 0.73 | 82% | 0.823 | S | S | * | * | cis | 91.3 | 145.9 | 46 | 66.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 479 | D | 27.4 | Very low | 27.6 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | 70 | 104 | 170.8 | -62.3 | -44.9 | 0 | 0 | 0 | 120.6 | ||||
| 480 | G | 25.7 | Very low | 27.6 | Very low | 82 Ų | 82 | 126 Ų | 126 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | 90.4 | 140.1 | 89.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 481 | G | 26.6 | Very low | 27.6 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 143.9 | 74.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 482 | S | 29.1 | Very low | 27.5 | Very low | 125 Ų | 125 | 126 Ų | 126 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -63.2 | 130.8 | 164.1 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 483 | R | 28.9 | Very low | 27.2 | Very low | 254 Ų | 254 | 121.7 Ų | 121.7 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -137.9 | 139.7 | 152.5 | -73.8 | -161.4 | 179.6 | -138 | -1.4 | 112.8 | ||||
| 484 | R | 32.8 | Very low | 27.1 | Very low | 237 Ų | 237 | 122.2 Ų | 122.2 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | trans | -107.1 | 155.2 | 177.4 | -147.1 | -178.4 | 179.8 | -154.8 | 0.6 | 108.1 | ||||
| 485 | P | 34 | Very low | 27 | Very low | 127 Ų | 127 | 115.3 Ų | 115.3 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | -133.5 | 168.1 | 123.1 | 36.4 | -27.3 | 0 | 0 | 0 | 111.6 | |||||
| 486 | G | 25.4 | Very low | 26.9 | Very low | 72 Ų | 72 | 113.8 Ų | 113.8 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | cis | 143.9 | 67.9 | -6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 487 | G | 27.6 | Very low | 27 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | 81.4 | 170.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 488 | A | 27.6 | Very low | 26.9 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 87% | 0.868 | 85% | 0.848 | S | S | * | * | cis | -169.7 | 155.3 | -19.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 489 | G | 25.4 | Very low | 26.8 | Very low | 87 Ų | 87 | 120.8 Ų | 120.8 | 90% | 0.897 | 86% | 0.856 | S | S | * | * | trans | 77.4 | 154.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 490 | G | 26.1 | Very low | 26.8 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 81% | 0.814 | 86% | 0.855 | S | S | * | * | cis | 159.3 | 115.6 | -11.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 491 | G | 24.8 | Very low | 26.7 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 85% | 0.853 | S | S | * | * | trans | 71.6 | 171 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 492 | A | 25.4 | Very low | 26.6 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 86% | 0.855 | S | S | * | * | cis | -166.8 | 154 | -25 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 493 | A | 25.1 | Very low | 26.5 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 88% | 0.884 | 86% | 0.855 | S | S | * | * | trans | 57.6 | 135.6 | 153 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 494 | G | 24.1 | Very low | 26.4 | Very low | 82 Ų | 82 | 125.2 Ų | 125.2 | 85% | 0.845 | 85% | 0.845 | S | S | * | * | 121 | 133.1 | 125.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 495 | G | 24.8 | Very low | 26 | Very low | 85 Ų | 85 | 122.5 Ų | 122.5 | 88% | 0.876 | 84% | 0.843 | S | S | * | * | trans | 106 | 96.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 496 | G | 24 | Very low | 26.1 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 79% | 0.794 | 85% | 0.845 | S | S | * | * | trans | -100.1 | 153.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 497 | Q | 28.1 | Very low | 26.1 | Very low | 199 Ų | 199 | 127.5 Ų | 127.5 | 93% | 0.93 | 85% | 0.846 | S | S | * | * | trans | -146 | 138.6 | 160.1 | -103.7 | 173.6 | 19.2 | 0 | 0 | 110 | ||||
| 498 | Q | 25.7 | Very low | 26.4 | Very low | 198 Ų | 198 | 130.7 Ų | 130.7 | 93% | 0.925 | 85% | 0.85 | S | S | * | * | trans | -81.2 | 143.6 | 169.4 | -65.6 | 165 | -43.4 | 0 | 0 | 108.9 | ||||
| 499 | S | 25 | Very low | 26.5 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 88% | 0.881 | 85% | 0.845 | S | S | * | * | trans | -144.1 | 150.2 | 155.4 | -167.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 500 | Q | 26.2 | Very low | 26.8 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 84% | 0.837 | S | S | * | * | trans | -97.1 | 151.9 | -166 | -64.1 | 179.4 | -10.4 | 0 | 0 | 112.6 | ||||
| 501 | N | 24.1 | Very low | 27 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | 17 | 122.4 | 153.5 | -65.9 | -13.7 | 0 | 0 | 0 | 119.7 | ||||
| 502 | S | 23.7 | Very low | 27.2 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | -154.7 | 124.2 | 127.8 | -80.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 503 | Y | 26.9 | Very low | 27.4 | Very low | 227 Ų | 227 | 141.2 Ų | 141.2 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -81.8 | 149.6 | 166.6 | -93 | -95.8 | 0 | 0 | 0 | 109.6 | ||||
| 504 | P | 28.2 | Very low | 27.6 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | trans | -120.9 | 168.9 | 139.7 | 31.7 | -21.2 | 0 | 0 | 0 | 112.9 | ||||
| 505 | Q | 24.8 | Very low | 28.1 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -58.5 | 158.1 | -162.2 | -74 | 149.2 | -77.8 | 0 | 0 | 117.7 | E507 | Q505-E507 PolarHBondContact O-N 2.96Š| ||
| 506 | T | 35 | Very low | 28.6 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -35.9 | 116.1 | 162.2 | 49.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 507 | E | 26.4 | Very low | 28.9 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -113 | 134 | 153 | -69.5 | -165.9 | 153.9 | 0 | 0 | 110.1 | Q505 M509 | Q505-E507 PolarHBondContact O-N 2.96Å; E507-M509 PolarHBondContact O-N 3.26Å; E507-M509 VanDerWaalsContact O-N 3.08Å | ||
| 508 | T | 34.2 | Very low | 28.9 | Very low | 148 Ų | 148 | 155 Ų | 155 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | trans | -75.2 | 93.3 | 179 | 43.8 | 0 | 0 | 0 | 0 | 110.9 | P510 | T508-P510 WeakPolarHBondContact O-CD 3.45Š| ||
| 509 | M | 28.9 | Very low | 29 | Very low | 158 Ų | 158 | 155 Ų | 155 | 78% | 0.778 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74 | 121.9 | 175.3 | -78.6 | -73.7 | 162.3 | 0 | 0 | 112 | E507 | E507-M509 PolarHBondContact O-N 3.26Å; E507-M509 VanDerWaalsContact O-N 3.08Å |
| 510 | P | 30.6 | Very low | 29.2 | Very low | 112 Ų | 112 | 155.6 Ų | 155.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 148 | 176.2 | 29.7 | -33.7 | 0 | 0 | 0 | 112 | T508 P512 | T508-P510 WeakPolarHBondContact O-CD 3.45Å; P510-P512 WeakPolarHBondContact O-CD 3.4Å |
| 511 | C | 30.7 | Very low | 29.3 | Very low | 103 Ų | 103 | 153.1 Ų | 153.1 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 118.6 | -176.6 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | F513 | C511-F513 PolarHBondContact O-N 3.17Š|
| 512 | P | 30.3 | Very low | 29.4 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -83.6 | 47.8 | -165.8 | 35.2 | -38.8 | 0 | 0 | 0 | 113.9 | P510 | P510-P512 WeakPolarHBondContact O-CD 3.4Š|
| 513 | F | 29.7 | Very low | 29.8 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 79% | 0.789 | 79% | 0.792 | S | S | * | * | trans | -143 | 69.8 | 172.7 | -96.2 | -80 | 0 | 0 | 0 | 110.7 | C511 | C511-F513 PolarHBondContact O-N 3.17Š| ||
| 514 | D | 27.6 | Very low | 30.3 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -90.3 | 105.8 | 170.2 | -152.6 | -6.9 | 0 | 0 | 0 | 109.8 | H516 | D514-H516 PolarHBondContact O-N 3.21Š| ||
| 515 | L | 35.9 | Very low | 30.5 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | -101.3 | 68 | -179.6 | -170.9 | 77.7 | 0 | 0 | 0 | 109.1 | Y518 | L515-Y518 HydrophobicContact CD1-CE2 4.45Å; L515-Y518 HydrophobicContact CG-CE2 4.46Å | ||
| 516 | H | 34.3 | Very low | 30.9 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | trans | -146.8 | 51.3 | 178.7 | -125.7 | -86.1 | 0 | 0 | 0 | 115.2 | D514 | D514-H516 PolarHBondContact O-N 3.21Š| ||
| 517 | Q | 30.2 | Very low | 30.6 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -133.4 | 80.7 | 157.5 | -84.2 | -170.1 | 0.3 | 0 | 0 | 111.5 | ||||
| 518 | Y | 28.6 | Very low | 30.8 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -107.4 | 102.5 | 156.5 | -69.7 | -72.5 | 0 | 0 | 0 | 108.1 | L515 T520 | L515-Y518 HydrophobicContact CD1-CE2 4.45Å; L515-Y518 HydrophobicContact CG-CE2 4.46Å; Y518-T520 PolarHBondContact O-N 2.81Å | ||
| 519 | K | 28.8 | Very low | 30.5 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | -73.9 | 115.5 | 171.7 | -161.3 | 176.8 | -173 | -178.1 | 0 | 107.4 | V521 | K519-V521 PolarHBondContact O-N 3.16Š| ||
| 520 | T | 28.9 | Very low | 30.6 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -64.8 | 113.6 | 176.2 | 45.2 | 0 | 0 | 0 | 0 | 109.8 | Y518 | Y518-T520 PolarHBondContact O-N 2.81Š| ||
| 521 | V | 28.5 | Very low | 30.5 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -87.4 | 131.2 | 167.1 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | K519 | K519-V521 PolarHBondContact O-N 3.16Š| ||
| 522 | S | 25.9 | Very low | 30.5 | Very low | 91 Ų | 91 | 146.3 Ų | 146.3 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | -72.9 | 149.1 | -179.6 | -168.9 | 0 | 0 | 0 | 0 | 111 | G524 | S522-G524 PolarHBondContact O-N 3.46Š| ||
| 523 | A | 31.8 | Very low | 30.8 | Very low | 100 Ų | 100 | 147 Ų | 147 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 13.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 524 | G | 36.2 | Very low | 31.1 | Very low | 61 Ų | 61 | 142.1 Ų | 142.1 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -20.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S522 | S522-G524 PolarHBondContact O-N 3.46Š|
| 525 | D | 32.4 | Very low | 31.4 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -98.4 | 14.3 | -165.3 | -60.8 | -41 | 0 | 0 | 0 | 114.7 | ||||
| 526 | I | 34 | Very low | 31.6 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | -101.5 | 97 | 177 | -55.4 | 179.3 | 0 | 0 | 0 | 109.8 | Y528 | I526-Y528 HydrophobicContact CG2-CD2 4.16Å; I526-Y528 HydrophobicContact CG2-CE2 3.85Å; I526-Y528 PolarHBondContact O-N 3.26Å | ||
| 527 | Q | 27.9 | Very low | 31.8 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 116.8 | 169.3 | -69.4 | -173.2 | 1 | 0 | 0 | 110.7 | ||
| 528 | Y | 31 | Very low | 32.3 | Very low | 208 Ų | 208 | 137 Ų | 137 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 128.1 | 169.2 | -78.5 | -95.3 | 0 | 0 | 0 | 110.8 | I526 | I526-Y528 HydrophobicContact CG2-CD2 4.16Å; I526-Y528 HydrophobicContact CG2-CE2 3.85Å; I526-Y528 PolarHBondContact O-N 3.26Å |
| 529 | K | 28.1 | Very low | 32.6 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 118.2 | 159.8 | -103.7 | -174.4 | 175.5 | -179.1 | 0 | 108.9 | ||
| 530 | P | 30.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 141.1 | 174.6 | 30.7 | -33.1 | 0 | 0 | 0 | 110.8 | ||
| 531 | V | 29.9 | Very low | 33.5 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -105.7 | 133.8 | 167.2 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 532 | S | 29.7 | Very low | 33.6 | Very low | 95 Ų | 95 | 138.6 Ų | 138.6 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | -74.6 | 144.5 | -175.7 | 48.6 | 0 | 0 | 0 | 0 | 113 | S534 | S532-S534 PolarHBondContact O-N 3.32Å; S532-S534 VanDerWaalsContact O-N 3.15Å | ||
| 533 | V | 37.9 | Very low | 33.8 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -79.7 | 94.7 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 534 | S | 34.9 | Very low | 33.8 | Very low | 78 Ų | 78 | 142.2 Ų | 142.2 | 55% | 0.545 | 78% | 0.776 | S | S | . | * | trans | -136.6 | -21.6 | 175.9 | -53.5 | 0 | 0 | 0 | 0 | 114.6 | S532 | S532-S534 PolarHBondContact O-N 3.32Å; S532-S534 VanDerWaalsContact O-N 3.15Å | ||
| 535 | D | 34.8 | Very low | 33.5 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -101.9 | 18.8 | -169 | -60 | -32.3 | 0 | 0 | 0 | 115.1 | ||
| 536 | I | 40.1 | Very low | 33.3 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | -105.7 | 40.6 | 179.8 | -38.4 | -177.7 | 0 | 0 | 0 | 111.7 | ||||
| 537 | T | 37.6 | Very low | 33 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -135.6 | 42 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 538 | S | 41.4 | Very low | 33.2 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -147.9 | 81.6 | 160.4 | 67.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 539 | H | 33.6 | Very low | 33.1 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -164.8 | 111.4 | 136.6 | -91.7 | -60.1 | 0 | 0 | 0 | 107.7 | ||||
| 540 | K | 40.1 | Very low | 33.2 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -71.9 | 159.3 | 170.7 | -68.5 | 176.4 | 177.6 | 178 | 0 | 109 | ||||
| 541 | D | 37.4 | Very low | 33.1 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | 93.5 | 58.5 | 176.9 | -51.3 | -17.3 | 0 | 0 | 0 | 116.2 | ||||
| 542 | L | 30.7 | Very low | 32.9 | Very low | 142 Ų | 142 | 136 Ų | 136 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -127.4 | 85.2 | 162.4 | -156.4 | 80 | 0 | 0 | 0 | 111.2 | L544 | L542-L544 HydrophobicContact CD2-CD1 3.74Å; L542-L544 HydrophobicContact CD2-CD2 4.41Å; L542-L544 HydrophobicContact CD2-CG 3.86Å; L542-L544 HydrophobicContact CG-CG 4.13Å; L542-L544 PolarHBondContact O-N 3.33Å | ||
| 543 | C | 30.3 | Very low | 32.9 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | -73.1 | 90.5 | 168.2 | -82.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 544 | L | 30.8 | Very low | 32.4 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | trans | -83.5 | 107.7 | 170.3 | -77.7 | 168.2 | 0 | 0 | 0 | 110.8 | L542 V546 | L542-L544 HydrophobicContact CD2-CD1 3.74Å; L542-L544 HydrophobicContact CD2-CD2 4.41Å; L542-L544 HydrophobicContact CD2-CG 3.86Å; L542-L544 HydrophobicContact CG-CG 4.13Å; L542-L544 PolarHBondContact O-N 3.33Å; L544-V546 HydrophobicContact CB-CG2 4.26Å; L544-V546 PolarHBondContact O-N 3.45Å; L544-V546 VanDerWaalsContact O-N 3.14Å | ||
| 545 | T | 29.4 | Very low | 32.2 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -74.9 | 93.6 | 159.3 | 36.7 | 0 | 0 | 0 | 0 | 109.4 | S547 | T545-S547 PolarHBondContact O-N 3.44Š| ||
| 546 | V | 30.1 | Very low | 31.9 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | -77.7 | 108 | 174.9 | 180 | 0 | 0 | 0 | 0 | 109.7 | L544 | L544-V546 HydrophobicContact CB-CG2 4.26Å; L544-V546 PolarHBondContact O-N 3.45Å; L544-V546 VanDerWaalsContact O-N 3.14Å | ||
| 547 | S | 26.4 | Very low | 31.7 | Very low | 117 Ų | 117 | 144 Ų | 144 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -94.1 | 112.9 | 158.7 | 51.3 | 0 | 0 | 0 | 0 | 109.2 | T545 | T545-S547 PolarHBondContact O-N 3.44Š| ||
| 548 | A | 31.6 | Very low | 31.8 | Very low | 88 Ų | 88 | 147.4 Ų | 147.4 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | -77.3 | 134.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 549 | S | 29.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 84% | 0.84 | S | S | * | * | trans | -156.9 | 74.4 | 160.7 | -76.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 550 | T | 30.2 | Very low | 31.2 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | trans | 25 | 100 | 151.1 | 39.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 551 | I | 27.9 | Very low | 30.7 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 81% | 0.805 | 84% | 0.836 | S | S | * | * | trans | -91.3 | 111.4 | 152.4 | -61.7 | 172.4 | 0 | 0 | 0 | 106.8 | V553 | I551-V553 HydrophobicContact CG2-CG2 4.15Š| ||
| 552 | Q | 26.5 | Very low | 30.3 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -82.6 | 115.5 | 165.3 | -85.1 | -177.9 | -46 | 0 | 0 | 109.1 | ||||
| 553 | V | 29.4 | Very low | 30.2 | Very low | 119 Ų | 119 | 144 Ų | 144 | 72% | 0.721 | 84% | 0.84 | S | S | * | * | trans | -91.7 | 109.6 | 166.6 | 177.9 | 0 | 0 | 0 | 0 | 106.8 | I551 H555 | I551-V553 HydrophobicContact CG2-CG2 4.15Å; V553-H555 PolarHBondContact O-N 3.24Å | ||
| 554 | E | 28.2 | Very low | 30.2 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -75.8 | 113.9 | 169.9 | -76.3 | -169.9 | 146.8 | 0 | 0 | 109.6 | L556 | E554-L556 PolarHBondContact O-N 2.82Š| ||
| 555 | H | 29.1 | Very low | 30.2 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 75% | 0.75 | 85% | 0.845 | S | S | * | * | trans | -63 | 121.1 | 166.9 | -110.6 | -106.6 | 0 | 0 | 0 | 109.6 | V553 | V553-H555 PolarHBondContact O-N 3.24Š| ||
| 556 | L | 28.7 | Very low | 30.3 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | trans | -83.1 | 109.9 | 159.6 | -82.1 | 164 | 0 | 0 | 0 | 108.3 | E554 | E554-L556 PolarHBondContact O-N 2.82Š| ||
| 557 | N | 36 | Very low | 30.3 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 73% | 0.733 | 85% | 0.852 | S | S | * | * | trans | -134.1 | 105.6 | 171.1 | -117 | 22.8 | 0 | 0 | 0 | 109 | ||||
| 558 | S | 39.4 | Very low | 30.6 | Very low | 204 Ų | 204 | 150.5 Ų | 150.5 | 100% | 1.427 | 86% | 0.855 | S | S | * | * | trans | 168.1 | 0 | 140.9 | -71.1 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 558 of 558 residues in 155.2 ms
(Link to these results)