| 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 | 35.8 | Very low | 38 | Very low | 236 Ų | 236 | 168.4 Ų | 168.4 | 100% | 1.163 | 83% | 0.83 | S | S | * | * | 0 | 130.9 | 0 | -74.6 | -58.5 | 177.7 | 0 | 0 | 108.8 | |||||
| 2 | P | 49.6 | Very low | 37.6 | Very low | 114 Ų | 114 | 162.2 Ų | 162.2 | 74% | 0.74 | 83% | 0.826 | S | S | * | * | trans | -95.3 | 162.9 | -165.4 | 36.8 | -35.5 | 0 | 0 | 0 | 113.9 | ||||
| 3 | R | 41.5 | Very low | 37.4 | Very low | 259 Ų | 259 | 163.9 Ų | 163.9 | 98% | 0.977 | 83% | 0.828 | S | S | * | * | trans | -124.6 | 126.4 | 147 | -101 | -178 | 168.4 | 155.6 | -2.4 | 109.1 | ||||
| 4 | S | 35.2 | Very low | 37.1 | Very low | 76 Ų | 76 | 158.9 Ų | 158.9 | 53% | 0.531 | 82% | 0.815 | S | S | . | * | trans | -105.5 | -175.4 | -168.9 | 44.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 5 | F | 33.4 | Very low | 36.5 | Very low | 185 Ų | 185 | 163.1 Ų | 163.1 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | 81.1 | 129.6 | 170.6 | -48.4 | -64.8 | 0 | 0 | 0 | 114.6 | ||||
| 6 | L | 39.1 | Very low | 36.3 | Very low | 143 Ų | 143 | 163.5 Ų | 163.5 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | cis | -149.7 | 125.1 | 7.9 | -109.2 | 149.3 | 0 | 0 | 0 | 110.7 | ||||
| 7 | V | 37.7 | Very low | 36.3 | Very low | 131 Ų | 131 | 164.3 Ų | 164.3 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -85.5 | 112.1 | 167.5 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | S9 | V7-S9 PolarHBondContact O-N 3.42Š| ||
| 8 | K | 35.8 | Very low | 36.1 | Very low | 191 Ų | 191 | 162.1 Ų | 162.1 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | -84.9 | 103.6 | 167.6 | -80 | -179.1 | 176.4 | 174.9 | 0 | 109.6 | K10 | K8-K10 PolarHBondContact O-N 3.36Š| ||
| 9 | S | 36.7 | Very low | 35.8 | Very low | 109 Ų | 109 | 166.5 Ų | 166.5 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -56.9 | 124.8 | 178.7 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | V7 K11 | V7-S9 PolarHBondContact O-N 3.42Å; S9-K11 PolarHBondContact O-N 3Å | ||
| 10 | K | 38.5 | Very low | 35.7 | Very low | 212 Ų | 212 | 163.7 Ų | 163.7 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | trans | -69 | 98 | 170.4 | -71.8 | -180 | 178.5 | 175.1 | 0 | 109.2 | K8 A12 | K8-K10 PolarHBondContact O-N 3.36Å; K10-A12 PolarHBondContact O-N 3.34Å | ||
| 11 | K | 34.7 | Very low | 35.7 | Very low | 196 Ų | 196 | 161.9 Ų | 161.9 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | trans | -68.3 | 124 | 174.1 | -152.3 | 170.3 | -171.2 | 175.7 | 0 | 108.6 | S9 H13 | S9-K11 PolarHBondContact O-N 3Å; K11-H13 PolarHBondContact O-N 3.41Å | ||
| 12 | A | 33.8 | Very low | 35.3 | Very low | 94 Ų | 94 | 154.4 Ų | 154.4 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -63.7 | 126.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | K10 S14 | K10-A12 PolarHBondContact O-N 3.34Å; A12-S14 PolarHBondContact O-N 3.23Å | ||
| 13 | H | 34.8 | Very low | 34.4 | Very low | 185 Ų | 185 | 153.1 Ų | 153.1 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -72.1 | 91.6 | 171.9 | -90.1 | -93.6 | 0 | 0 | 0 | 109.7 | K11 Y15 | K11-H13 PolarHBondContact O-N 3.41Å; H13-Y15 PolarHBondContact O-N 2.92Å | ||
| 14 | S | 32.8 | Very low | 34.1 | Very low | 93 Ų | 93 | 148.3 Ų | 148.3 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -65.4 | 120.9 | 168 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | A12 H16 | A12-S14 PolarHBondContact O-N 3.23Å; S14-H16 PolarHBondContact O-N 3.26Å | ||
| 15 | Y | 28.9 | Very low | 33.8 | Very low | 223 Ų | 223 | 153.4 Ų | 153.4 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -72 | 88.7 | 175.4 | -102.6 | -91.3 | 0 | 0 | 0 | 110.1 | H13 Q17 | H13-Y15 PolarHBondContact O-N 2.92Å; Y15-Q17 PolarHBondContact O-N 2.97Å | ||
| 16 | H | 32 | Very low | 34 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -67.3 | 113.9 | 165.2 | -87.7 | -85.1 | 0 | 0 | 0 | 109.8 | S14 | S14-H16 PolarHBondContact O-N 3.26Š| ||
| 17 | Q | 37 | Very low | 33.7 | Very low | 177 Ų | 177 | 150.6 Ų | 150.6 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 135.5 | 164.5 | -67.3 | -177.5 | -0.7 | 0 | 0 | 109.1 | Y15 R19 | Y15-Q17 PolarHBondContact O-N 2.97Å; Q17-R19 PolarHBondContact O-N 3.19Å |
| 18 | P | 32.7 | Very low | 33.5 | Very low | 124 Ų | 124 | 153.9 Ų | 153.9 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 127.4 | 171.2 | 26.6 | -32.3 | 0 | 0 | 0 | 109.8 | S20 | P18-S20 PolarHBondContact O-N 2.95Š|
| 19 | R | 30.8 | Very low | 33.5 | Very low | 246 Ų | 246 | 153.2 Ų | 153.2 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64 | 127.2 | 172.7 | -71.2 | 177.5 | 169.3 | -175 | -4.4 | 109.3 | Q17 | Q17-R19 PolarHBondContact O-N 3.19Š|
| 20 | S | 33.3 | Very low | 33.3 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 137.3 | 161.8 | -58 | 0 | 0 | 0 | 0 | 109.3 | P18 | P18-S20 PolarHBondContact O-N 2.95Š|
| 21 | P | 35.3 | Very low | 33 | Very low | 126 Ų | 126 | 152 Ų | 152 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 142.8 | 171.7 | 27.7 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 22 | G | 28.8 | Very low | 33 | Very low | 79 Ų | 79 | 149.3 Ų | 149.3 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 141.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 23 | S | 30.6 | Very low | 33 | Very low | 87 Ų | 87 | 150.5 Ų | 150.5 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | trans | -101 | 88.8 | 169.5 | 64.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 24 | D | 33.5 | Very low | 32.9 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -70.5 | 125.2 | 164.4 | -132.4 | -36.6 | 0 | 0 | 0 | 108.2 | ||||
| 25 | Y | 29.7 | Very low | 32.9 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -155 | 95.9 | 163.7 | 42.9 | -99.3 | 0 | 0 | 0 | 111.5 | ||||
| 26 | S | 37.4 | Very low | 33 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -89.7 | 114.6 | 156.2 | -67.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 27 | L | 33.2 | Very low | 33 | Very low | 157 Ų | 157 | 146 Ų | 146 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -135.3 | 104.4 | 163.5 | -67.8 | 174.7 | 0 | 0 | 0 | 105.9 | ||||
| 28 | R | 32.4 | Very low | 32.5 | Very low | 200 Ų | 200 | 141.8 Ų | 141.8 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | 68.4 | 96.8 | 74.1 | -164.2 | 173.3 | -176.8 | 137.5 | 0.9 | 110.8 | E30 | R28-E30 IonicContact CZ-OE1 3.51Å; R28-E30 IonicContact NE-OE1 3.08Å; R28-E30 PolarHBondContact NE-OE1 3.35Å; R28-E30 VanDerWaalsContact NE-OE1 3.08Å; R28-E30 IonicContact NH2-OE1 2.99Å; R28-E30 PolarHBondContact NH2-OE1 2.85Å | |||
| 29 | L | 36.4 | Very low | 32.4 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | trans | -77.8 | 120 | 172 | -75.3 | 157.5 | 0 | 0 | 0 | 109.3 | ||||
| 30 | E | 33.8 | Very low | 32.4 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | trans | -137 | 116.4 | 161.9 | -72 | -177.3 | 176.8 | 0 | 0 | 110.7 | R28 | R28-E30 IonicContact CZ-OE1 3.51Å; R28-E30 IonicContact NE-OE1 3.08Å; R28-E30 PolarHBondContact NE-OE1 3.35Å; R28-E30 VanDerWaalsContact NE-OE1 3.08Å; R28-E30 IonicContact NH2-OE1 2.99Å; R28-E30 PolarHBondContact NH2-OE1 2.85Å | ||
| 31 | N | 30.9 | Very low | 32.2 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | 40.2 | 118.3 | 149.3 | -61.2 | -31.3 | 0 | 0 | 0 | 121.9 | ||||
| 32 | V | 34.4 | Very low | 32 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -107.2 | 133.8 | 150.2 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 33 | P | 34.5 | Very low | 32 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77 | 146.8 | -177.9 | 31.3 | -35.2 | 0 | 0 | 0 | 112.6 | ||
| 34 | A | 33.7 | Very low | 32 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 142.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 35 | P | 32.2 | Very low | 31.7 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 157 | 169.4 | 32.4 | -33.7 | 0 | 0 | 0 | 112.1 | ||
| 36 | S | 30.1 | Very low | 31.6 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -104.5 | 139.6 | -160.6 | 54.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 37 | R | 32 | Very low | 31.2 | Very low | 240 Ų | 240 | 130.6 Ų | 130.6 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | 51 | 128.4 | 139.4 | -67.7 | -176.6 | 171.3 | 176.1 | -3.5 | 121.4 | ||||
| 38 | A | 27.8 | Very low | 31 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | -150.9 | 120.3 | 116.8 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 39 | D | 29.3 | Very low | 30.7 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | 34.7 | 146.4 | 137.8 | -53.5 | -49.2 | 0 | 0 | 0 | 121.7 | ||||
| 40 | S | 30.5 | Very low | 30.4 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | cis | -153.1 | 156.4 | 35.4 | -51.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 41 | T | 30.8 | Very low | 30 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | 31.3 | 141.3 | 139.7 | 60.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 42 | S | 30.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | cis | 174.5 | 163.5 | 8.3 | 45 | 0 | 0 | 0 | 0 | 105 | ||||
| 43 | N | 29.4 | Very low | 29.8 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | cis | -155.1 | 177.2 | 22 | -163.5 | 1.3 | 0 | 0 | 0 | 110.2 | ||||
| 44 | A | 29.9 | Very low | 29.6 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -55.5 | 171.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 45 | G | 27.5 | Very low | 29.5 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | cis | 171 | -174.6 | 11.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 46 | G | 27.5 | Very low | 29.3 | Very low | 83 Ų | 83 | 134 Ų | 134 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | cis | -168.2 | 172 | -1.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 47 | A | 28.7 | Very low | 30.2 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -113.7 | 150.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 48 | K | 29.3 | Very low | 30.1 | Very low | 213 Ų | 213 | 130 Ų | 130 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | trans | 74.6 | 125.2 | 160.6 | -64.2 | -177.2 | 173.9 | -177.4 | 0 | 119.7 | ||||
| 49 | A | 26.1 | Very low | 30.3 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -147.2 | 145.7 | 133 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 50 | E | 28.7 | Very low | 30.3 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -25 | 165.7 | 145.9 | -76.4 | 174.6 | 86.5 | 0 | 0 | 117.7 | ||||
| 51 | S | 27.2 | Very low | 30.2 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | -169 | 174 | -7.4 | 52.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 52 | R | 31.5 | Very low | 30.1 | Very low | 221 Ų | 221 | 132.9 Ų | 132.9 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | 83.9 | 140.3 | 143.2 | -98.4 | -178.4 | 143.6 | 134.7 | 2.2 | 124.2 | ||||
| 53 | D | 29 | Very low | 30 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 53% | 0.529 | 77% | 0.774 | S | S | . | * | trans | 79.6 | 116.9 | 145.2 | -78.9 | -76.1 | 0 | 0 | 0 | 123.1 | ||||
| 54 | R | 31.2 | Very low | 30.2 | Very low | 214 Ų | 214 | 133.3 Ų | 133.3 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | 69.1 | 106 | 130.1 | -72.1 | 172.7 | -165.6 | -122.2 | 1.3 | 121.6 | ||||
| 55 | L | 30.4 | Very low | 30.9 | Very low | 170 Ų | 170 | 135 Ų | 135 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | 176.9 | 147.6 | 93.3 | -96 | 154.9 | 0 | 0 | 0 | 112.5 | |||||
| 56 | S | 27.8 | Very low | 31 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -121.5 | 172.8 | 161.1 | -132.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 57 | P | 48.9 | Very low | 31.1 | Very low | 104 Ų | 104 | 146 Ų | 146 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | -155.5 | -175 | 42.9 | 42.5 | -18.5 | 0 | 0 | 0 | 118.4 | ||||
| 58 | E | 31.3 | Very low | 31 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | 65.6 | 124.7 | 157.8 | -43.4 | -158.5 | 87.4 | 0 | 0 | 119.8 | ||||
| 59 | S | 31.3 | Very low | 31 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | -164.1 | 131.7 | 61.6 | 30.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 60 | Q | 29 | Very low | 31.1 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | 45.2 | 114.1 | 137.8 | -54.9 | -169.7 | 18.5 | 0 | 0 | 119.6 | ||||
| 61 | L | 29.2 | Very low | 31.2 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | 62.3 | 120 | 85.1 | -75.2 | 159.6 | 0 | 0 | 0 | 112.2 | |||||
| 62 | T | 27.6 | Very low | 31.9 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | -162.9 | 133.9 | 55.8 | 34.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 63 | E | 28.6 | Very low | 31.7 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | 84.7 | 129.8 | 109 | -65.1 | -170.8 | 120.4 | 0 | 0 | 117.5 | |||||
| 64 | A | 33.4 | Very low | 31.7 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -103.5 | 167.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 65 | P | 44.2 | Very low | 31.5 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | -143 | 175.2 | 119.1 | 34.1 | -18.1 | 0 | 0 | 0 | 115.9 | |||||
| 66 | D | 29.4 | Very low | 31.3 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -70.1 | 168.9 | -168.9 | -77.1 | -78.4 | 0 | 0 | 0 | 119.1 | ||||
| 67 | R | 29.3 | Very low | 31.3 | Very low | 240 Ų | 240 | 130.9 Ų | 130.9 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | 71 | 120.4 | 146.6 | -92.5 | 173.8 | 163.4 | 161.6 | -4.5 | 119 | ||||
| 68 | A | 26.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | -175.6 | 160.7 | 91.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 69 | S | 30.2 | Very low | 30.3 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -86.4 | 140.1 | 179.7 | 49.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 70 | A | 28.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -159.2 | 138.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 71 | S | 31.4 | Very low | 29.9 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -119.3 | 146.2 | 144.9 | -56.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 72 | P | 41.6 | Very low | 29.9 | Very low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | -150.4 | 168.2 | 106.1 | 34.3 | -14.8 | 0 | 0 | 0 | 116.4 | |||||
| 73 | D | 27.5 | Very low | 30 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 40.4 | 118.5 | 146.8 | -68.4 | -75.6 | 0 | 0 | 0 | 124.7 | ||||
| 74 | S | 28.9 | Very low | 30 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 57.1 | 117.7 | 113.4 | -153.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 75 | C | 26.2 | Very low | 29.9 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | -155.6 | 132.1 | 141.9 | -87 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 76 | E | 27 | Very low | 29 | Very low | 188 Ų | 188 | 137 Ų | 137 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | 54.3 | 129.4 | 74.6 | -59.7 | -160.8 | 131.6 | 0 | 0 | 113.4 | |||||
| 77 | G | 26.3 | Very low | 29.2 | Very low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 165.1 | 132.1 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 78 | S | 29.9 | Very low | 29.3 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -157.9 | 113.7 | 168.9 | -66.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 79 | V | 29.8 | Very low | 29.3 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | 61.3 | 117 | 63.6 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 80 | C | 26.5 | Very low | 29.3 | Very low | 117 Ų | 117 | 143 Ų | 143 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | cis | -147.5 | 177.1 | 0.4 | -111.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 81 | E | 25.9 | Very low | 29.4 | Very low | 181 Ų | 181 | 148.9 Ų | 148.9 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | cis | -165.8 | 161.1 | 48.4 | -148.4 | 173.5 | 146 | 0 | 0 | 114.2 | ||||
| 82 | R | 28.2 | Very low | 29.7 | Very low | 212 Ų | 212 | 148.6 Ų | 148.6 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -33.5 | 143.2 | 172.3 | -147.6 | 163.8 | -70.1 | -113.4 | -3 | 115.4 | ||||
| 83 | S | 29.5 | Very low | 29.3 | Very low | 98 Ų | 98 | 149 Ų | 149 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | -167.9 | 135.7 | 65.8 | -54.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 84 | S | 30.6 | Very low | 29.4 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | 41.3 | 124.8 | 76 | 67.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 85 | E | 30.7 | Very low | 30.6 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | cis | -134.1 | 171.1 | 16.3 | -60.9 | 161.8 | 99.1 | 0 | 0 | 108.3 | ||||
| 86 | F | 25.1 | Very low | 30.7 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | cis | -175.5 | 128 | 49.2 | -178.9 | -93.5 | 0 | 0 | 0 | 108.5 | ||||
| 87 | E | 32.9 | Very low | 30.7 | Very low | 158 Ų | 158 | 144 Ų | 144 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -93.5 | 158.4 | 177.7 | -78 | -82.5 | 86.3 | 0 | 0 | 112.2 | ||||
| 88 | D | 30.9 | Very low | 30.9 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 50.6 | 107.3 | 153.1 | -73.6 | -31.2 | 0 | 0 | 0 | 121.6 | ||||
| 89 | F | 27.8 | Very low | 31.5 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | -152 | 85.5 | 136.7 | -134 | -89.6 | 0 | 0 | 0 | 112.9 | ||||
| 90 | W | 29.8 | Very low | 31.5 | Very low | 255 Ų | 255 | 144.8 Ų | 144.8 | 97% | 0.966 | 79% | 0.792 | S | S | * | * | trans | -121.7 | 100.6 | 163.7 | -91 | 99.4 | 0 | 0 | 0 | 111.1 | ||||
| 91 | R | 31.6 | Very low | 31.6 | Very low | 221 Ų | 221 | 144.2 Ų | 144.2 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -130.6 | 127.6 | 166.2 | -144.2 | 177.8 | -152.9 | -151.4 | 6.6 | 109.3 | ||||
| 92 | P | 37.5 | Very low | 31.7 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -86.9 | 149.3 | -175.9 | 34.4 | -34.9 | 0 | 0 | 0 | 112.1 | ||||
| 93 | P | 32.5 | Very low | 31.9 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -100.8 | 146.7 | 165.9 | 35.7 | -30.3 | 0 | 0 | 0 | 112.9 | ||||
| 94 | S | 28.7 | Very low | 31.8 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -169.5 | 156.5 | 166.8 | -71.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 95 | P | 55.9 | Low | 31.7 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -121.8 | -158.4 | -49.3 | 38.7 | -24 | 0 | 0 | 0 | 110.6 | ||||
| 96 | S | 26.8 | Very low | 31.7 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 80.6 | 151.4 | 178.6 | 86.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 97 | A | 27 | Very low | 32.3 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | cis | -149.1 | 168.9 | -3.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 98 | S | 32.2 | Very low | 32.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -94.2 | 160.6 | 163.2 | -46.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 99 | P | 41.5 | Very low | 32.1 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -151.6 | -179.4 | 78.4 | 38.6 | -17.5 | 0 | 0 | 0 | 117.5 | |||||
| 100 | A | 29 | Very low | 32.3 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 0.9 | 158.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 101 | S | 29.1 | Very low | 32.5 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -158.2 | 167.8 | 6.9 | 41.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 102 | E | 28.3 | Very low | 32.3 | Very low | 144 Ų | 144 | 124 Ų | 124 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | -172.9 | 144.2 | 69.1 | -78.4 | -164.7 | 86.9 | 0 | 0 | 115.1 | |||||
| 103 | K | 32.3 | Very low | 32.1 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | 44.2 | 133.4 | 136.8 | -59.7 | 172.6 | -172.8 | 151.2 | 0 | 125 | ||||
| 104 | S | 28.3 | Very low | 32.8 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 70.6 | 149.7 | 139.3 | 70 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 105 | M | 27.2 | Very low | 32.7 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | cis | -150.1 | 158.1 | -0 | -153 | 78.8 | 83.9 | 0 | 0 | 109.7 | ||||
| 106 | C | 32.1 | Very low | 32.1 | Very low | 110 Ų | 110 | 129 Ų | 129 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -86 | 164.7 | 163.6 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 107 | P | 36.1 | Very low | 32.6 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | -132.3 | 175.6 | 125.2 | 38 | -29.8 | 0 | 0 | 0 | 113.5 | |||||
| 108 | S | 29.4 | Very low | 33.5 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -139.6 | 150.4 | -173.9 | -57 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 109 | L | 31.8 | Very low | 33.3 | Very low | 152 Ų | 152 | 134 Ų | 134 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 69.6 | 152.6 | 153.3 | -97.5 | 82 | 0 | 0 | 0 | 123.1 | ||||
| 110 | D | 30.7 | Very low | 32.9 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 67.1 | 142.5 | 163.7 | -63.7 | -49.3 | 0 | 0 | 0 | 119.6 | ||||
| 111 | E | 34.2 | Very low | 33.7 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | cis | -157.6 | 177.2 | 0.8 | -136.5 | 179.9 | 122.9 | 0 | 0 | 112.6 | ||||
| 112 | A | 28.4 | Very low | 33.8 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | 73.4 | 101.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 113 | Q | 32.7 | Very low | 34 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | 29.1 | 166 | 117.2 | -63.1 | -68.4 | -49.9 | 0 | 0 | 123.2 | |||||
| 114 | P | 46.9 | Very low | 33.9 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 58% | 0.578 | 77% | 0.772 | S | S | * | * | -140.6 | -174.8 | -64.8 | 38.5 | -17.1 | 0 | 0 | 0 | 116.7 | |||||
| 115 | F | 26.3 | Very low | 34.1 | Very low | 180 Ų | 180 | 145 Ų | 145 | 79% | 0.789 | 77% | 0.773 | S | S | * | * | trans | 76.2 | 160.6 | 168.8 | -70 | -69.5 | 0 | 0 | 0 | 119.8 | ||||
| 116 | P | 43.8 | Very low | 34.2 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | cis | -124.7 | 179.3 | 5.3 | 37.7 | -19.4 | 0 | 0 | 0 | 117.8 | ||||
| 117 | L | 38.2 | Very low | 34.3 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -81.4 | -176.6 | -179.2 | -54.5 | 167 | 0 | 0 | 0 | 113.1 | ||||
| 118 | P | 45.8 | Very low | 34.3 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | -154.4 | 169.2 | 83.8 | 43.9 | -25.2 | 0 | 0 | 0 | 119.5 | |||||
| 119 | F | 26.6 | Very low | 34.3 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | 76.7 | 73.5 | 158 | -68.2 | -66.3 | 0 | 0 | 0 | 124.5 | ||||
| 120 | K | 32.8 | Very low | 34.4 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | 55.1 | 153.8 | 108.8 | -75.1 | -172.6 | 174.5 | -178.8 | 0 | 125.7 | |||||
| 121 | P | 47.1 | Very low | 34.5 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | -127.1 | -176.2 | -173 | 45.8 | -30 | 0 | 0 | 0 | 116.2 | ||||
| 122 | Y | 31.4 | Very low | 34.4 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -145.1 | 114.7 | 156.7 | -86.4 | -92 | 0 | 0 | 0 | 108.4 | ||||
| 123 | S | 31.2 | Very low | 34.6 | Very low | 87 Ų | 87 | 142.9 Ų | 142.9 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | 52.8 | 131.3 | 94.1 | 79.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 124 | W | 30.3 | Very low | 34.7 | Very low | 248 Ų | 248 | 141.6 Ų | 141.6 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | -139.6 | 146.8 | 66.5 | -93.7 | 44.5 | 0 | 0 | 0 | 115.7 | |||||
| 125 | S | 33.1 | Very low | 34 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -84.1 | 162.1 | 148.1 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 126 | G | 30.1 | Very low | 34.2 | Very low | 68 Ų | 68 | 142 Ų | 142 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | 138.1 | 134.7 | 9.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 127 | L | 33 | Very low | 33.7 | Very low | 189 Ų | 189 | 143.1 Ų | 143.1 | 99% | 0.99 | 77% | 0.774 | S | S | * | * | trans | -142.7 | 153.1 | 169.9 | -82.1 | -178.9 | 0 | 0 | 0 | 110.3 | ||||
| 128 | A | 35.8 | Very low | 33.2 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -121.8 | 167.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 129 | G | 30.2 | Very low | 32.2 | Very low | 69 Ų | 69 | 146.2 Ų | 146.2 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 139.4 | 103.7 | 159 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 130 | S | 33.8 | Very low | 32.5 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 34.9 | 112.3 | 140.8 | 56.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 131 | D | 32.7 | Very low | 32.9 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | 53.7 | 117.9 | 111.6 | -138 | -8.4 | 0 | 0 | 0 | 120.8 | |||||
| 132 | L | 32.3 | Very low | 32.2 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | 163.4 | 110 | 121.7 | -84.3 | 166.7 | 0 | 0 | 0 | 114.3 | |||||
| 133 | R | 33.2 | Very low | 32.1 | Very low | 202 Ų | 202 | 139 Ų | 139 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 68.2 | 153.8 | 139.8 | -52.4 | -177.7 | -179.8 | -162.6 | 2.8 | 124.1 | ||||
| 134 | H | 33.9 | Very low | 32 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | 88.8 | 103.1 | 152.5 | -71.5 | -63.6 | 0 | 0 | 0 | 121.5 | ||||
| 135 | L | 33.1 | Very low | 31.8 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 64% | 0.644 | 78% | 0.781 | S | S | * | * | trans | 72.3 | 90.6 | 133.5 | -124.1 | 73.9 | 0 | 0 | 0 | 119.2 | Q137 | L135-Q137 HydrophobicContact CD2-CB 4.39Å; L135-Q137 HydrophobicContact CD2-CG 4.37Å; L135-Q137 HydrophobicContact CG-CB 4.46Å; L135-Q137 HydrophobicContact CG-CG 4.33Å; L135-Q137 PolarHBondContact O-N 3.49Å | ||
| 136 | V | 30.5 | Very low | 31.7 | Very low | 153 Ų | 153 | 136 Ų | 136 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | trans | -77.4 | 97.8 | 146.3 | 176.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 137 | Q | 32.3 | Very low | 31.7 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | trans | -134.7 | 139.4 | 156.1 | -88.7 | 178.2 | -9.4 | 0 | 0 | 105.1 | L135 | L135-Q137 HydrophobicContact CD2-CB 4.39Å; L135-Q137 HydrophobicContact CD2-CG 4.37Å; L135-Q137 HydrophobicContact CG-CB 4.46Å; L135-Q137 HydrophobicContact CG-CG 4.33Å; L135-Q137 PolarHBondContact O-N 3.49Å | ||
| 138 | S | 28.1 | Very low | 31.4 | Very low | 87 Ų | 87 | 138 Ų | 138 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | cis | 172.4 | 131.7 | -4.7 | 42.4 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 139 | Y | 25.6 | Very low | 31.2 | Very low | 233 Ų | 233 | 138.2 Ų | 138.2 | 91% | 0.914 | 77% | 0.772 | S | S | * | * | trans | 69.9 | 126.1 | 160.7 | -74.7 | -116.7 | 0 | 0 | 0 | 120 | ||||
| 140 | R | 31.5 | Very low | 31.1 | Very low | 235 Ų | 235 | 138.1 Ų | 138.1 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | -23.9 | 158.2 | 137.4 | -90.7 | -178.7 | 171 | -167.6 | -2.6 | 115 | ||||
| 141 | P | 42.7 | Very low | 31.1 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | cis | -147.8 | -171.7 | 43.4 | 39.5 | -17.6 | 0 | 0 | 0 | 117.8 | ||||
| 142 | C | 31.3 | Very low | 30.8 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 91% | 0.905 | 78% | 0.78 | S | S | * | * | trans | -78.6 | 145.3 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 143 | G | 28.5 | Very low | 30.8 | Very low | 64 Ų | 64 | 140.6 Ų | 140.6 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | 168.7 | 102.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 144 | A | 29.1 | Very low | 30.4 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | 92.7 | 137.4 | 71.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 145 | L | 28 | Very low | 30.1 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | 90.6 | 98.8 | 157.9 | -139.1 | 68.6 | 0 | 0 | 0 | 120.6 | ||||
| 146 | E | 28.9 | Very low | 30 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 60% | 0.603 | 81% | 0.81 | S | S | * | * | 87.1 | 142.7 | 128 | -82.9 | -177.1 | -162.7 | 0 | 0 | 126.2 | |||||
| 147 | R | 30.7 | Very low | 30 | Very low | 225 Ų | 225 | 139.7 Ų | 139.7 | 85% | 0.849 | 81% | 0.806 | S | S | * | * | trans | 74.7 | 122.6 | 145.4 | -88 | 179.5 | -91.8 | 164.7 | -7.1 | 119.8 | ||||
| 148 | G | 27.6 | Very low | 30 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 152.8 | 82 | 147.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 149 | A | 31 | Very low | 30.9 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | 17.9 | 128.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 150 | G | 27.9 | Very low | 31.6 | Very low | 67 Ų | 67 | 136.3 Ų | 136.3 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | 119.2 | 134.9 | 110 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 151 | L | 33.9 | Very low | 32.6 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | trans | 69.8 | 107.1 | 167.6 | -49.2 | -177.1 | 0 | 0 | 0 | 115.5 | ||||
| 152 | G | 27.7 | Very low | 31.9 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -103.2 | -171.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 153 | L | 31.4 | Very low | 32.2 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | trans | -143.3 | 148.5 | 159.1 | -100.3 | 167.6 | 0 | 0 | 0 | 109.5 | ||||
| 154 | F | 25.6 | Very low | 33.2 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -70.2 | 150.6 | -176.5 | -115 | -119.5 | 0 | 0 | 0 | 112.9 | ||||
| 155 | C | 26.6 | Very low | 33.5 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | -172.8 | 144.1 | 118.7 | -103.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 156 | E | 30.3 | Very low | 33.5 | Very low | 170 Ų | 170 | 131.5 Ų | 131.5 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -84.5 | 167.2 | -178.8 | -59.6 | -174.8 | 97.3 | 0 | 0 | 113.9 | ||||
| 157 | P | 31.6 | Very low | 33.7 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -125.3 | 129.8 | 153.1 | 35.8 | -22.9 | 0 | 0 | 0 | 113.8 | ||||
| 158 | A | 31.7 | Very low | 33.7 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -166.1 | 162.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 159 | P | 48.4 | Very low | 33.7 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | cis | -135.6 | -174.1 | -30.5 | 35.4 | -15.7 | 0 | 0 | 0 | 114.5 | ||||
| 160 | E | 38.4 | Very low | 34.6 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -63.5 | 169.4 | 175.6 | -56.8 | -79.2 | 133.4 | 0 | 0 | 116 | ||||
| 161 | P | 53.6 | Low | 35 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | -143.1 | 159.8 | 122.1 | 38.3 | -25.4 | 0 | 0 | 0 | 114.5 | |||||
| 162 | G | 28.8 | Very low | 34.8 | Very low | 75 Ų | 75 | 143.1 Ų | 143.1 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | cis | -179.6 | 174.4 | 2.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 163 | H | 35.8 | Very low | 35 | Very low | 191 Ų | 191 | 144 Ų | 144 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -98.3 | 170.7 | -178.7 | -94 | -84.5 | 0 | 0 | 0 | 113.3 | ||||
| 164 | P | 51.3 | Low | 35.1 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | -147.3 | -179.9 | 101.9 | 37.7 | -21.5 | 0 | 0 | 0 | 113.6 | |||||
| 165 | A | 34 | Very low | 35.2 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | cis | -173.4 | 175.6 | -38.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 166 | A | 29.1 | Very low | 35.2 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | 91.8 | 134.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 167 | L | 32.1 | Very low | 35.2 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | cis | 137.2 | 112.3 | -10.3 | -90.7 | 175.2 | 0 | 0 | 0 | 108.7 | ||||
| 168 | Y | 30.3 | Very low | 35.1 | Very low | 244 Ų | 244 | 127.9 Ų | 127.9 | 96% | 0.957 | 82% | 0.824 | S | S | * | * | trans | 175.2 | 144.9 | 132 | -111.8 | -94.9 | 0 | 0 | 0 | 109.7 | ||||
| 169 | G | 27.4 | Very low | 35 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | trans | -115.2 | -147.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 170 | P | 51.5 | Low | 33.9 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 74% | 0.74 | 83% | 0.831 | S | S | * | * | cis | -146.8 | -175.7 | -9.6 | 45.3 | -27.2 | 0 | 0 | 0 | 116.5 | ||||
| 171 | K | 34.8 | Very low | 33.8 | Very low | 197 Ų | 197 | 122.5 Ų | 122.5 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | trans | 64.3 | 123.2 | 152.9 | -72.2 | 176.4 | -178.8 | 179.6 | 0 | 122.7 | ||||
| 172 | R | 31.2 | Very low | 33.4 | Very low | 254 Ų | 254 | 122.5 Ų | 122.5 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | -167.2 | 173.7 | 101.3 | -106.9 | -175.2 | 175.6 | -158.6 | -1.4 | 112.4 | |||||
| 173 | A | 31.8 | Very low | 33.5 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -134.2 | -177.4 | -150.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 174 | A | 31.9 | Very low | 33.3 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | 76.9 | 143.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 175 | G | 28.2 | Very low | 32.2 | Very low | 81 Ų | 81 | 119.2 Ų | 119.2 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | cis | -157.8 | 168.8 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 176 | G | 28 | Very low | 32.1 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | trans | -126.4 | -157.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 177 | A | 30.2 | Very low | 32.3 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | trans | 68.7 | 137.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 178 | G | 27.9 | Very low | 32.1 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | cis | 110.5 | 143.4 | 24.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 179 | A | 29.7 | Very low | 32.3 | Very low | 111 Ų | 111 | 111.5 Ų | 111.5 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | cis | -161.5 | -177.7 | -1.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 180 | G | 26.8 | Very low | 32.4 | Very low | 78 Ų | 78 | 112.5 Ų | 112.5 | 80% | 0.804 | 85% | 0.849 | S | S | * | * | trans | 119.1 | 94.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 181 | A | 34.5 | Very low | 31.4 | Very low | 95 Ų | 95 | 111.8 Ų | 111.8 | 79% | 0.785 | 85% | 0.852 | S | S | * | * | trans | -88 | 169.8 | 137.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 182 | P | 46 | Very low | 31.2 | Very low | 128 Ų | 128 | 109.7 Ų | 109.7 | 83% | 0.831 | 86% | 0.856 | S | S | * | * | -155 | 172 | 59.8 | 41.1 | -20 | 0 | 0 | 0 | 118.4 | |||||
| 183 | G | 31.6 | Very low | 31.2 | Very low | 77 Ų | 77 | 102.6 Ų | 102.6 | 79% | 0.794 | 85% | 0.852 | S | S | * | * | trans | 80 | 159.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 184 | S | 32 | Very low | 31 | Very low | 121 Ų | 121 | 101.5 Ų | 101.5 | 85% | 0.846 | 85% | 0.85 | S | S | * | * | cis | -160.2 | 175.4 | -5.2 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 185 | C | 27 | Very low | 31.9 | Very low | 120 Ų | 120 | 102.7 Ų | 102.7 | 81% | 0.811 | 85% | 0.848 | S | S | * | * | trans | -51.6 | 156.1 | -173.6 | -37.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 186 | S | 31.2 | Very low | 32.1 | Very low | 128 Ų | 128 | 102 Ų | 102 | 90% | 0.895 | 84% | 0.842 | S | S | * | * | -170.3 | 155.9 | 126.3 | 32 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 187 | A | 34.3 | Very low | 32.4 | Very low | 109 Ų | 109 | 107.1 Ų | 107.1 | 90% | 0.901 | 85% | 0.849 | S | S | * | * | trans | -124.3 | 157.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 188 | G | 28.7 | Very low | 32.4 | Very low | 82 Ų | 82 | 104.7 Ų | 104.7 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | trans | -166.9 | 139.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 189 | A | 34.5 | Very low | 32.6 | Very low | 113 Ų | 113 | 107.5 Ų | 107.5 | 93% | 0.934 | 83% | 0.832 | S | S | * | * | trans | -109.9 | 162.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 190 | G | 27.6 | Very low | 32.7 | Very low | 83 Ų | 83 | 112.4 Ų | 112.4 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | 179.6 | 132.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 191 | A | 32.4 | Very low | 32.8 | Very low | 99 Ų | 99 | 112.4 Ų | 112.4 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -130.6 | 143.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 192 | T | 30.5 | Very low | 32.8 | Very low | 154 Ų | 154 | 115.4 Ų | 115.4 | 95% | 0.945 | 83% | 0.831 | S | S | * | * | trans | -156.4 | 168.6 | 164.2 | 35.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 193 | A | 30.7 | Very low | 32.1 | Very low | 104 Ų | 104 | 119.7 Ų | 119.7 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -96.1 | 176.9 | -158.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 194 | G | 28.2 | Very low | 32 | Very low | 72 Ų | 72 | 119.3 Ų | 119.3 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | trans | -78.3 | -144.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 195 | P | 50.8 | Low | 32.2 | Very low | 136 Ų | 136 | 119.5 Ų | 119.5 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | cis | -108.2 | -168.1 | 4.1 | 42.3 | -32.4 | 0 | 0 | 0 | 112.6 | ||||
| 196 | G | 31.3 | Very low | 32.4 | Very low | 67 Ų | 67 | 118.4 Ų | 118.4 | 69% | 0.691 | 83% | 0.834 | S | S | * | * | cis | 131.5 | 131.1 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 197 | L | 34.3 | Very low | 32.4 | Very low | 183 Ų | 183 | 117.3 Ų | 117.3 | 96% | 0.958 | 83% | 0.832 | S | S | * | * | trans | -141 | 139.9 | 172.1 | -80.7 | -179.2 | 0 | 0 | 0 | 110.6 | ||||
| 198 | G | 29.3 | Very low | 32.3 | Very low | 61 Ų | 61 | 117.1 Ų | 117.1 | 63% | 0.629 | 83% | 0.831 | S | S | * | * | trans | -128.5 | -132.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 199 | L | 33 | Very low | 32.3 | Very low | 137 Ų | 137 | 117 Ų | 117 | 72% | 0.717 | 83% | 0.829 | S | S | * | * | trans | 82.2 | 135.1 | -178.7 | -43.8 | 158.1 | 0 | 0 | 0 | 112.8 | ||||
| 200 | Y | 31.1 | Very low | 32.2 | Very low | 214 Ų | 214 | 120.2 Ų | 120.2 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | cis | -147.7 | 164 | 0 | -48.3 | -102 | 0 | 0 | 0 | 107.1 | ||||
| 201 | G | 30.5 | Very low | 32.1 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | cis | 178.6 | 154.4 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 202 | D | 32.9 | Very low | 31.9 | Very low | 158 Ų | 158 | 128 Ų | 128 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -96.2 | 158.4 | -175.9 | -95.8 | -71.9 | 0 | 0 | 0 | 114.3 | ||||
| 203 | F | 32.4 | Very low | 32.1 | Very low | 217 Ų | 217 | 130.7 Ų | 130.7 | 95% | 0.952 | 81% | 0.813 | S | S | * | * | trans | -161.6 | 138.6 | 144.9 | -91.2 | -78.9 | 0 | 0 | 0 | 107.5 | ||||
| 204 | G | 29.8 | Very low | 32.3 | Very low | 70 Ų | 70 | 131.9 Ų | 131.9 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | cis | 163.7 | 112.8 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 205 | S | 36.3 | Very low | 32.5 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -26.6 | 159.9 | 172.9 | -50.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 206 | A | 31.3 | Very low | 31.5 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | -177.9 | 148.8 | 108.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 207 | A | 30.1 | Very low | 31.6 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | 77.5 | 132.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 208 | A | 31.7 | Very low | 31.4 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | -105.1 | 159.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 209 | G | 28.7 | Very low | 31.7 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -147.4 | 132.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 210 | L | 32.6 | Very low | 31.5 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | trans | -87.2 | 133.4 | 176.7 | -66.8 | 158.1 | 0 | 0 | 0 | 110.1 | ||||
| 211 | Y | 26.4 | Very low | 31.4 | Very low | 205 Ų | 205 | 128.7 Ų | 128.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -162.9 | 161.8 | 138.1 | -163 | -117 | 0 | 0 | 0 | 112.6 | ||||
| 212 | E | 28.7 | Very low | 31.3 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 66% | 0.664 | 82% | 0.821 | S | S | * | * | trans | -62.5 | 167.2 | -151.4 | -68.4 | -175.6 | 136.1 | 0 | 0 | 122.1 | ||||
| 213 | R | 33.8 | Very low | 31.4 | Very low | 210 Ų | 210 | 133.3 Ų | 133.3 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -75.2 | 151.1 | 165.8 | -70.2 | 163 | 57.4 | 179.6 | -3.1 | 111.2 | ||||
| 214 | P | 35.3 | Very low | 31.5 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | -117 | 149.8 | 129.6 | -2.7 | 22.6 | 0 | 0 | 0 | 112.3 | |||||
| 215 | T | 32.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 69% | 0.693 | 82% | 0.823 | S | S | * | * | trans | -84.2 | 128.1 | 171.4 | 43.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 216 | A | 29.2 | Very low | 31.4 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -148.6 | 136.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 217 | A | 33.3 | Very low | 31.4 | Very low | 108 Ų | 108 | 142 Ų | 142 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | -85.5 | 136 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 218 | A | 31.8 | Very low | 31.3 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | trans | -152.7 | 104.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 219 | G | 34.5 | Very low | 31.3 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -76.2 | 123.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 220 | L | 28.6 | Very low | 31.4 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | trans | -118.7 | 100.7 | 175.7 | -72.6 | 177.6 | 0 | 0 | 0 | 110.8 | ||||
| 221 | L | 29.4 | Very low | 31.4 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 131.4 | 152 | -67 | 159.1 | 0 | 0 | 0 | 108.2 | ||
| 222 | Y | 27.7 | Very low | 31.6 | Very low | 216 Ų | 216 | 143.2 Ų | 143.2 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 145.8 | 169.6 | -104 | -100.9 | 0 | 0 | 0 | 110.9 | ||
| 223 | P | 35.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 153.9 | -153.7 | 38.2 | -34.4 | 0 | 0 | 0 | 115.6 | ||
| 224 | E | 33.9 | Very low | 31.8 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 129.1 | 165.4 | -82.5 | -95.4 | 101.6 | 0 | 0 | 111.8 | ||
| 225 | R | 34.1 | Very low | 31.5 | Very low | 247 Ų | 247 | 138.1 Ų | 138.1 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | trans | -166.6 | 133.6 | 152.2 | -105.2 | 178.3 | -171.2 | 178.9 | 3.5 | 107 | ||||
| 226 | G | 30.8 | Very low | 31.3 | Very low | 64 Ų | 64 | 136.6 Ų | 136.6 | 66% | 0.66 | 83% | 0.829 | S | S | * | * | cis | 118.7 | 74.8 | 11.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 227 | H | 32.2 | Very low | 31.4 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | trans | -134.5 | 115.8 | 166.3 | -95.6 | -86.7 | 0 | 0 | 0 | 109.1 | ||||
| 228 | G | 27.9 | Very low | 31.4 | Very low | 75 Ų | 75 | 141.3 Ų | 141.3 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -77.3 | 158.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 229 | L | 31.4 | Very low | 31.4 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | trans | -120 | 144.6 | 168 | -73.4 | 176 | 0 | 0 | 0 | 110.2 | ||||
| 230 | H | 30.2 | Very low | 31.4 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -58.2 | 146.8 | -177.3 | -93 | -125.2 | 0 | 0 | 0 | 112.9 | ||||
| 231 | A | 33.4 | Very low | 32 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 129.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 232 | D | 30.4 | Very low | 32.6 | Very low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -133.3 | 149.3 | 159.4 | -141 | -44.4 | 0 | 0 | 0 | 110.7 | ||||
| 233 | K | 37.5 | Very low | 33.5 | Very low | 204 Ų | 204 | 137.3 Ų | 137.3 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -100.7 | 124.6 | -166.5 | -65.8 | 169.8 | 178.9 | 171.2 | 0 | 110 | ||||
| 234 | G | 27.7 | Very low | 34.1 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 178.3 | 121.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 235 | A | 29.8 | Very low | 34.7 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | 49.6 | 70.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | V237 | A235-V237 PolarHBondContact O-N 3.16Š| ||
| 236 | G | 28.3 | Very low | 35.5 | Very low | 81 Ų | 81 | 124 Ų | 124 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | trans | -65.8 | 94.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K238 | G236-K238 PolarHBondContact O-N 3.22Å; G236-K238 VanDerWaalsContact O-N 3.11Å | ||
| 237 | V | 31 | Very low | 36.3 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | trans | -76.1 | 94.4 | 164.3 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | A235 V239 | A235-V237 PolarHBondContact O-N 3.16Å; V237-V239 HydrophobicContact CG1-CG2 3.84Å; V237-V239 PolarHBondContact O-N 3.28Å | ||
| 238 | K | 33.6 | Very low | 36.9 | Very low | 190 Ų | 190 | 125.6 Ų | 125.6 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | -57.8 | 108.1 | 172.1 | -80.1 | -178.8 | 172.6 | 178.6 | 0 | 110.1 | G236 | G236-K238 PolarHBondContact O-N 3.22Å; G236-K238 VanDerWaalsContact O-N 3.11Å | ||
| 239 | V | 32.6 | Very low | 38 | Very low | 105 Ų | 105 | 129 Ų | 129 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | trans | -124.5 | 30.9 | 165.7 | -155.5 | 0 | 0 | 0 | 0 | 110.8 | V237 | V237-V239 HydrophobicContact CG1-CG2 3.84Å; V237-V239 PolarHBondContact O-N 3.28Å | ||
| 240 | E | 34.3 | Very low | 39 | Very low | 188 Ų | 188 | 128.1 Ų | 128.1 | 88% | 0.879 | 72% | 0.718 | S | S | * | * | trans | -92.8 | 7.8 | -179.9 | -63.4 | -169.7 | 129.8 | 0 | 0 | 113.7 | ||||
| 241 | S | 40.9 | Very low | 39.9 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -104 | -7.5 | -173.4 | 60.8 | 0 | 0 | 0 | 0 | 116.3 | ||
| 242 | E | 41.8 | Very low | 41 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 58% | 0.579 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -105.8 | -1.1 | -176.7 | -85.8 | -74.6 | 129.5 | 0 | 0 | 114.4 | K259 | E242-K259 IonicContact OE2-NZ 2.67Å; E242-K259 PolarHBondContact OE2-NZ 2.86Å |
| 243 | L | 45.6 | Very low | 42.4 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 51% | 0.508 | 69% | 0.694 | S | S | . | * | trans | -103.2 | 59.8 | 175.2 | -83.6 | 136.8 | 0 | 0 | 0 | 111.1 | C245 E271 | L243-C245 VanDerWaalsContact C-N 3.33Å; L243-C245 PolarHBondContact O-N 3.42Å; L243-E271 HydrophobicContact CD2-CB 4.22Å; L243-E271 HydrophobicContact CD2-CG 4.19Å | ||
| 244 | L | 49.3 | Very low | 44.1 | Very low | 126 Ų | 126 | 108.4 Ų | 108.4 | 66% | 0.66 | 67% | 0.665 | S | S | * | * | trans | -61.4 | 92.9 | 169.7 | -76.6 | 170.6 | 0 | 0 | 0 | 110.3 | I258 | L244-I258 HydrophobicContact CB-CD1 3.38Å; L244-I258 HydrophobicContact CD1-CD1 4.15Å; L244-I258 HydrophobicContact CG-CD1 4.42Å; L244-I258 WeakPolarHBondContact O-CD1 3.39Å | ||
| 245 | C | 46.2 | Very low | 46.4 | Very low | 60 Ų | 60 | 107.2 Ų | 107.2 | 41% | 0.405 | 64% | 0.638 | S | S | . | * | trans | -104.9 | 89.5 | -176.8 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | L243 R247 Y255 | L243-C245 VanDerWaalsContact C-N 3.33Å; L243-C245 PolarHBondContact O-N 3.42Å; C245-R247 PolarHBondContact O-N 3.26Å; C245-Y255 VanDerWaalsContact SG-CD1 3.52Å | ||
| 246 | T | 50.1 | Low | 48.7 | Very low | 84 Ų | 84 | 106.7 Ų | 106.7 | 52% | 0.515 | 62% | 0.618 | S | S | . | * | trans | -71.6 | 98.4 | 173.3 | 46.4 | 0 | 0 | 0 | 0 | 110.6 | L248 | T246-L248 PolarHBondContact O-N 3.15Å; T246-L248 VanDerWaalsContact O-N 3.1Å | ||
| 247 | R | 47 | Very low | 51.3 | Low | 185 Ų | 185 | 103 Ų | 103 | 70% | 0.698 | 58% | 0.579 | S | S | * | * | trans | -67.8 | 100.6 | 171 | -173.8 | 177.7 | -173.5 | 166.1 | 0.4 | 108.7 | C245 L249 | C245-R247 PolarHBondContact O-N 3.26Å; R247-L249 HydrophobicContact CG-CD2 4.12Å; R247-L249 PolarHBondContact O-N 3.46Å; R247-L249 VanDerWaalsContact O-N 3.07Å | ||
| 248 | L | 46.5 | Very low | 53.5 | Low | 107 Ų | 107 | 102 Ų | 102 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | trans | -67.6 | 106 | 172.1 | -74.2 | 171.4 | 0 | 0 | 0 | 109 | T246 L250 | T246-L248 PolarHBondContact O-N 3.15Å; T246-L248 VanDerWaalsContact O-N 3.1Å; L248-L250 PolarHBondContact O-N 3.05Å | ||
| 249 | L | 50.1 | Low | 55.6 | Low | 146 Ų | 146 | 98.8 Ų | 98.8 | 76% | 0.764 | 56% | 0.555 | S | S | * | * | trans | -79.1 | 55.4 | -177.2 | -70.9 | 172.8 | 0 | 0 | 0 | 112.5 | R247 | R247-L249 HydrophobicContact CG-CD2 4.12Å; R247-L249 PolarHBondContact O-N 3.46Å; R247-L249 VanDerWaalsContact O-N 3.07Å | ||
| 250 | L | 53.6 | Low | 57.9 | Low | 160 Ų | 160 | 96.2 Ų | 96.2 | 84% | 0.838 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -140.3 | 106.4 | 169.7 | -71.4 | 176.6 | 0 | 0 | 0 | 110.8 | L248 G252 | L248-L250 PolarHBondContact O-N 3.05Å; L250-G252 VanDerWaalsContact C-N 3.25Å; L250-G252 PolarHBondContact O-N 3.16Å |
| 251 | G | 48.6 | Very low | 60.1 | Low | 99 Ų | 99 | 90.5 Ų | 90.5 | 100% | 1.021 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 70.1 | -16 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 252 | G | 55.9 | Low | 62 | Low | 49 Ų | 49 | 91.8 Ų | 91.8 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -174.8 | 114 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | L250 S254 | L250-G252 VanDerWaalsContact C-N 3.25Å; L250-G252 PolarHBondContact O-N 3.16Å; G252-S254 PolarHBondContact O-N 2.91Å |
| 253 | G | 59.5 | Low | 64 | Low | 49 Ų | 49 | 90.2 Ų | 90.2 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | trans | -62.4 | 96.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y255 | G253-Y255 WeakPolarHBondContact O-CE2 3.49Š| ||
| 254 | S | 73.8 | Confident | 65.7 | Low | 39 Ų | 39 | 87.9 Ų | 87.9 | 27% | 0.273 | 50% | 0.5 | S | S | . | . | trans | -113.1 | 141.1 | 176.3 | 71.1 | 0 | 0 | 0 | 0 | 111.2 | G252 F264 | G252-S254 PolarHBondContact O-N 2.91Å; S254-F264 CarbonylContact C-O 3.58Å; S254-F264 WeakPolarHBondContact CA-O 3.4Å | ||
| 255 | Y | 76.4 | Confident | 67.2 | Low | 47 Ų | 47 | 86.7 Ų | 86.7 | 18% | 0.184 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 108.6 | -164.3 | -65.9 | -91.9 | 0 | 0 | 0 | 109.1 | C245 G253 V263 F264 T266 P267 | C245-Y255 VanDerWaalsContact SG-CD1 3.52Å; G253-Y255 WeakPolarHBondContact O-CE2 3.49Å; Y255-V263 CarbonylContact O-C 3.23Å; Y255-V263 WeakPolarHBondContact O-CA 3.44Å; Y255-F264 PolarHBondContact N-O 2.72Å; Y255-F264 WeakPolarHBondContact O-CD2 3.25Å; Y255-F264 PolarHBondContact O-N 3.21Å; Y255-T266 VanDerWaalsContact CD2-C 3.43Å; Y255-P267 HydrophobicContact CD1-CB 3.98Å; Y255-P267 HydrophobicContact CE1-CB 3.58Å; Y255-P267 HydrophobicContact CE1-CG 4.21Å; Y255-P267 HydrophobicContact CE2-CB 4.45Å; Y255-P267 HydrophobicContact CE2-CG 4.45Å |
| 256 | K | 78.7 | Confident | 68.9 | Low | 87 Ų | 87 | 87.1 Ų | 87.1 | 38% | 0.378 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.4 | -176.2 | -170.7 | 178.4 | 177.4 | -175 | 0 | 111.6 | I258 S261 K262 V263 | K256-I258 PolarHBondContact O-N 2.89Å; K256-S261 VanDerWaalsContact CE-CB 3.45Å; K256-S261 WeakPolarHBondContact CE-OG 3.28Å; K256-S261 PolarHBondContact NZ-OG 2.97Å; K256-K262 CarbonylContact C-O 3.55Å; K256-K262 WeakPolarHBondContact CA-O 3.31Å; K256-V263 HydrophobicContact CB-CG2 4.43Å; K256-V263 HydrophobicContact CG-CG2 4.26Å |
| 257 | C | 81 | Confident | 70.2 | Confident | 3 Ų | 3 | 86.5 Ų | 86.5 | 2% | 0.02 | 50% | 0.5 | C | S | . | . | trans | -74.3 | 123.1 | 169.9 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | S261 K262 F264 L270 H273 H278 | C257-S261 WeakPolarHBondContact O-CA 3.15Å; C257-S261 PolarHBondContact O-N 3.41Å; C257-K262 PolarHBondContact N-O 3.18Å; C257-F264 HydrophobicContact CB-CE2 4.29Å; C257-L270 HydrophobicContact CB-CD1 3.53Å; C257-H273 WeakPolarHBondContact CB-NE2 3.48Å; C257-H273 PolarHBondContact SG-NE2 3.27Å; C257-H278 PolarHBondContact SG-NE2 3.31Å | ||
| 258 | I | 79.1 | Confident | 71.8 | Confident | 101 Ų | 101 | 83.5 Ų | 83.5 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -40.3 | 179.1 | -66.1 | 171.1 | 0 | 0 | 0 | 111.5 | L244 K256 C260 | L244-I258 HydrophobicContact CB-CD1 3.38Å; L244-I258 HydrophobicContact CD1-CD1 4.15Å; L244-I258 HydrophobicContact CG-CD1 4.42Å; L244-I258 WeakPolarHBondContact O-CD1 3.39Å; K256-I258 PolarHBondContact O-N 2.89Å; I258-C260 VanDerWaalsContact C-N 3.32Å; I258-C260 PolarHBondContact O-N 3.24Å |
| 259 | K | 77.4 | Confident | 73.4 | Confident | 122 Ų | 122 | 79.4 Ų | 79.4 | 53% | 0.53 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -13.7 | -174.7 | -65.2 | 177.8 | -177.7 | 170.5 | 0 | 114.4 | E242 H278 | E242-K259 IonicContact OE2-NZ 2.67Å; E242-K259 PolarHBondContact OE2-NZ 2.86Å; K259-H278 HydrophobicContact CD-CB 3.95Å |
| 260 | C | 80.8 | Confident | 74.9 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 35% | 0.345 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.7 | 12.8 | 173.8 | 74.7 | 0 | 0 | 0 | 0 | 116.3 | I258 K262 H273 | I258-C260 VanDerWaalsContact C-N 3.32Å; I258-C260 PolarHBondContact O-N 3.24Å; C260-K262 PolarHBondContact O-N 3.23Å; C260-H273 PolarHBondContact SG-CE1 3.11Å; C260-H273 PolarHBondContact SG-NE2 3.31Å |
| 261 | S | 80.6 | Confident | 76 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 48% | 0.483 | 42% | 0.42 | S | S | . | . | trans | 54.9 | 10.6 | 179.9 | -77.1 | 0 | 0 | 0 | 0 | 117.7 | K256 C257 | K256-S261 VanDerWaalsContact CE-CB 3.45Å; K256-S261 WeakPolarHBondContact CE-OG 3.28Å; K256-S261 PolarHBondContact NZ-OG 2.97Å; C257-S261 WeakPolarHBondContact O-CA 3.15Å; C257-S261 PolarHBondContact O-N 3.41Å | ||
| 262 | K | 81.2 | Confident | 77.4 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 54% | 0.535 | 38% | 0.378 | S | S | . | . | trans | -68.3 | 138.9 | 174.5 | -72.1 | -179.5 | -175.7 | 178 | 0 | 111.7 | K256 C257 C260 F264 | K256-K262 CarbonylContact C-O 3.55Å; K256-K262 WeakPolarHBondContact CA-O 3.31Å; C257-K262 PolarHBondContact N-O 3.18Å; C260-K262 PolarHBondContact O-N 3.23Å; K262-F264 HydrophobicContact CB-CE2 3.68Å; K262-F264 HydrophobicContact CB-CZ 3.92Å; K262-F264 HydrophobicContact CD-CZ 4.45Å | ||
| 263 | V | 81.8 | Confident | 78.6 | Confident | 90 Ų | 90 | 63.7 Ų | 63.7 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.7 | 179 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | Y255 K256 | Y255-V263 CarbonylContact O-C 3.23Å; Y255-V263 WeakPolarHBondContact O-CA 3.44Å; K256-V263 HydrophobicContact CB-CG2 4.43Å; K256-V263 HydrophobicContact CG-CG2 4.26Å |
| 264 | F | 81.9 | Confident | 79.5 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148.7 | 179.2 | -61.2 | -89.2 | 0 | 0 | 0 | 109.9 | S254 Y255 C257 K262 T266 L270 H273 | S254-F264 CarbonylContact C-O 3.58Å; S254-F264 WeakPolarHBondContact CA-O 3.4Å; Y255-F264 PolarHBondContact N-O 2.72Å; Y255-F264 WeakPolarHBondContact O-CD2 3.25Å; Y255-F264 PolarHBondContact O-N 3.21Å; C257-F264 HydrophobicContact CB-CE2 4.29Å; K262-F264 HydrophobicContact CB-CE2 3.68Å; K262-F264 HydrophobicContact CB-CZ 3.92Å; K262-F264 HydrophobicContact CD-CZ 4.45Å; F264-T266 VanDerWaalsContact C-N 3.34Å; F264-L270 HydrophobicContact CB-CB 4.3Å; F264-L270 HydrophobicContact CD2-CB 3.98Å; F264-L270 HydrophobicContact CD2-CD1 3.87Å; F264-L270 HydrophobicContact CE2-CD1 4.07Å; F264-L270 HydrophobicContact CG-CB 4.27Å; F264-H273 HydrophobicContact CE1-CB 3.74Å; F264-H273 HydrophobicContact CE2-CB 3.9Å; F264-H273 AromaticContact CE2-CD2 3.36Å; F264-H273 WeakPolarHBondContact CE2-CD2 3.43Å; F264-H273 AromaticContact CE2-CG 3.61Å; F264-H273 HydrophobicContact CZ-CB 3.36Å; F264-H273 AromaticContact CZ-CD2 3.46Å; F264-H273 VanDerWaalsContact CZ-CD2 3.46Å; F264-H273 WeakPolarHBondContact CZ-CD2 3.4Å; F264-H273 AromaticContact CZ-CG 3.18Å; F264-H273 AromaticContact CZ-ND1 3.77Å |
| 265 | S | 81.6 | Confident | 79.5 | Confident | 101 Ų | 101 | 66.9 Ų | 66.9 | 71% | 0.706 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -81.7 | -11.2 | 176 | 49.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 266 | T | 81.1 | Confident | 79.4 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -136.8 | 148.6 | -176.7 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | Y255 F264 G269 L270 | Y255-T266 VanDerWaalsContact CD2-C 3.43Å; F264-T266 VanDerWaalsContact C-N 3.34Å; T266-G269 PolarHBondContact O-N 2.74Å; T266-G269 PolarHBondContact OG1-N 3.46Å; T266-G269 VanDerWaalsContact OG1-N 3.15Å; T266-L270 PolarHBondContact O-N 2.79Å |
| 267 | P | 78.2 | Confident | 79.1 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 47% | 0.468 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 179.1 | 23.8 | -29.6 | 0 | 0 | 0 | 110.8 | Y255 G269 L270 E271 | Y255-P267 HydrophobicContact CD1-CB 3.98Å; Y255-P267 HydrophobicContact CE1-CB 3.58Å; Y255-P267 HydrophobicContact CE1-CG 4.21Å; Y255-P267 HydrophobicContact CE2-CB 4.45Å; Y255-P267 HydrophobicContact CE2-CG 4.45Å; P267-G269 VanDerWaalsContact C-N 3.27Å; P267-G269 PolarHBondContact O-N 3.06Å; P267-L270 WeakPolarHBondContact O-CB 3.44Å; P267-L270 PolarHBondContact O-N 3.22Å; P267-L270 VanDerWaalsContact O-N 3.08Å; P267-E271 WeakPolarHBondContact O-CB 3.15Å; P267-E271 PolarHBondContact O-N 3.27Å |
| 268 | H | 79.8 | Confident | 78.9 | Confident | 121 Ų | 121 | 70.7 Ų | 70.7 | 56% | 0.56 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.4 | -38.1 | 175 | -173.6 | 60.5 | 0 | 0 | 0 | 111.9 | L270 E271 V272 | H268-L270 VanDerWaalsContact C-N 3.34Å; H268-L270 PolarHBondContact O-N 2.93Å; H268-E271 IonicContact ND1-OE2 3.2Å; H268-E271 PolarHBondContact ND1-OE2 2.92Å; H268-E271 PolarHBondContact O-N 2.92Å; H268-V272 WeakPolarHBondContact CE1-CG2 3.41Å; H268-V272 WeakPolarHBondContact O-CB 3.31Å; H268-V272 WeakPolarHBondContact O-CG2 3.22Å; H268-V272 PolarHBondContact O-N 3.28Å |
| 269 | G | 80.7 | Confident | 78.3 | Confident | 21 Ų | 21 | 69 Ų | 69 | 22% | 0.216 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | T266 P267 H273 | T266-G269 PolarHBondContact O-N 2.74Å; T266-G269 PolarHBondContact OG1-N 3.46Å; T266-G269 VanDerWaalsContact OG1-N 3.15Å; P267-G269 VanDerWaalsContact C-N 3.27Å; P267-G269 PolarHBondContact O-N 3.06Å; G269-H273 VanDerWaalsContact O-CB 3.24Å; G269-H273 WeakPolarHBondContact O-CB 3.48Å; G269-H273 PolarHBondContact O-N 3.35Å |
| 270 | L | 80.8 | Confident | 77.6 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 5% | 0.052 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.9 | -51 | 174.7 | 172 | 61 | 0 | 0 | 0 | 112 | C257 F264 T266 P267 H268 V272 H273 V274 | C257-L270 HydrophobicContact CB-CD1 3.53Å; F264-L270 HydrophobicContact CB-CB 4.3Å; F264-L270 HydrophobicContact CD2-CB 3.98Å; F264-L270 HydrophobicContact CD2-CD1 3.87Å; F264-L270 HydrophobicContact CE2-CD1 4.07Å; F264-L270 HydrophobicContact CG-CB 4.27Å; T266-L270 PolarHBondContact O-N 2.79Å; P267-L270 WeakPolarHBondContact O-CB 3.44Å; P267-L270 PolarHBondContact O-N 3.22Å; P267-L270 VanDerWaalsContact O-N 3.08Å; H268-L270 VanDerWaalsContact C-N 3.34Å; H268-L270 PolarHBondContact O-N 2.93Å; L270-V272 VanDerWaalsContact C-N 3.33Å; L270-V272 PolarHBondContact O-N 3.12Å; L270-H273 CarbonylContact O-C 3.6Å; L270-H273 WeakPolarHBondContact O-CA 3.26Å; L270-H273 WeakPolarHBondContact O-CB 3.24Å; L270-H273 PolarHBondContact O-N 3.06Å; L270-H273 VanDerWaalsContact O-N 3.07Å; L270-V274 HydrophobicContact CD1-CG2 3.87Å; L270-V274 HydrophobicContact CG-CG2 4.43Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 3.41Å |
| 271 | E | 77.1 | Confident | 76.9 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -53.2 | -51.9 | 179.1 | -177.7 | -137.2 | 146.1 | 0 | 0 | 110.8 | L243 P267 H268 H273 V274 R275 | L243-E271 HydrophobicContact CD2-CB 4.22Å; L243-E271 HydrophobicContact CD2-CG 4.19Å; P267-E271 WeakPolarHBondContact O-CB 3.15Å; P267-E271 PolarHBondContact O-N 3.27Å; H268-E271 IonicContact ND1-OE2 3.2Å; H268-E271 PolarHBondContact ND1-OE2 2.92Å; H268-E271 PolarHBondContact O-N 2.92Å; E271-H273 VanDerWaalsContact C-N 3.32Å; E271-H273 PolarHBondContact O-N 3.03Å; E271-V274 PolarHBondContact O-N 3.49Å; E271-R275 WeakPolarHBondContact O-CB 3.23Å; E271-R275 PolarHBondContact O-N 2.91Å |
| 272 | V | 77.5 | Confident | 76.5 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 177.1 | 168 | 0 | 0 | 0 | 0 | 112.1 | H268 L270 R276 | H268-V272 WeakPolarHBondContact CE1-CG2 3.41Å; H268-V272 WeakPolarHBondContact O-CB 3.31Å; H268-V272 WeakPolarHBondContact O-CG2 3.22Å; H268-V272 PolarHBondContact O-N 3.28Å; L270-V272 VanDerWaalsContact C-N 3.33Å; L270-V272 PolarHBondContact O-N 3.12Å; V272-R276 HydrophobicContact CG1-CG 4.46Å; V272-R276 VanDerWaalsContact O-CB 3.29Å; V272-R276 WeakPolarHBondContact O-CB 3.47Å; V272-R276 WeakPolarHBondContact O-CG 3.15Å; V272-R276 PolarHBondContact O-N 3Å |
| 273 | H | 81.1 | Confident | 76.3 | Confident | 18 Ų | 18 | 66 Ų | 66 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 173.1 | 159.1 | 66.6 | 0 | 0 | 0 | 112 | C257 C260 F264 G269 L270 E271 R275 R276 S277 H278 | C257-H273 WeakPolarHBondContact CB-NE2 3.48Å; C257-H273 PolarHBondContact SG-NE2 3.27Å; C260-H273 PolarHBondContact SG-CE1 3.11Å; C260-H273 PolarHBondContact SG-NE2 3.31Å; F264-H273 HydrophobicContact CE1-CB 3.74Å; F264-H273 HydrophobicContact CE2-CB 3.9Å; F264-H273 AromaticContact CE2-CD2 3.36Å; F264-H273 WeakPolarHBondContact CE2-CD2 3.43Å; F264-H273 AromaticContact CE2-CG 3.61Å; F264-H273 HydrophobicContact CZ-CB 3.36Å; F264-H273 AromaticContact CZ-CD2 3.46Å; F264-H273 VanDerWaalsContact CZ-CD2 3.46Å; F264-H273 WeakPolarHBondContact CZ-CD2 3.4Å; F264-H273 AromaticContact CZ-CG 3.18Å; F264-H273 AromaticContact CZ-ND1 3.77Å; G269-H273 VanDerWaalsContact O-CB 3.24Å; G269-H273 WeakPolarHBondContact O-CB 3.48Å; G269-H273 PolarHBondContact O-N 3.35Å; L270-H273 CarbonylContact O-C 3.6Å; L270-H273 WeakPolarHBondContact O-CA 3.26Å; L270-H273 WeakPolarHBondContact O-CB 3.24Å; L270-H273 PolarHBondContact O-N 3.06Å; L270-H273 VanDerWaalsContact O-N 3.07Å; E271-H273 VanDerWaalsContact C-N 3.32Å; E271-H273 PolarHBondContact O-N 3.03Å; H273-R275 VanDerWaalsContact C-N 3.34Å; H273-R275 PolarHBondContact O-N 2.96Å; H273-R276 PolarHBondContact O-N 2.79Å; H273-S277 PolarHBondContact CE1-OG 3.18Å; H273-S277 VanDerWaalsContact CE1-OG 3.32Å; H273-S277 PolarHBondContact ND1-OG 3.27Å; H273-S277 WeakPolarHBondContact O-CB 3.41Å; H273-S277 PolarHBondContact O-N 2.76Å; H273-S277 PolarHBondContact O-OG 2.86Å; H273-H278 AromaticContact CE1-NE2 3.78Å; H273-H278 AromaticContact NE2-CD2 3.82Å; H273-H278 AromaticContact NE2-NE2 3.5Å; H273-H278 PolarHBondContact NE2-NE2 2.82Å |
| 274 | V | 78.6 | Confident | 76.2 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 178.2 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | L270 E271 R276 S277 H278 S279 | L270-V274 HydrophobicContact CD1-CG2 3.87Å; L270-V274 HydrophobicContact CG-CG2 4.43Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 3.41Å; E271-V274 PolarHBondContact O-N 3.49Å; V274-R276 PolarHBondContact O-N 3.13Å; V274-S277 PolarHBondContact O-N 2.85Å; V274-H278 HydrophobicContact CG1-CB 4.46Å; V274-H278 WeakPolarHBondContact O-CA 3.24Å; V274-H278 WeakPolarHBondContact O-CB 3.48Å; V274-H278 PolarHBondContact O-N 2.89Å; V274-S279 PolarHBondContact O-N 2.87Å; V274-S279 VanDerWaalsContact O-N 3.1Å |
| 275 | R | 73.8 | Confident | 76.2 | Confident | 125 Ų | 125 | 65.3 Ų | 65.3 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 176.7 | -167 | 173.7 | -178.9 | 170.9 | 0 | 112.5 | E271 H273 S279 T281 | E271-R275 WeakPolarHBondContact O-CB 3.23Å; E271-R275 PolarHBondContact O-N 2.91Å; H273-R275 VanDerWaalsContact C-N 3.34Å; H273-R275 PolarHBondContact O-N 2.96Å; R275-S279 WeakPolarHBondContact CA-OG 3.21Å; R275-S279 PolarHBondContact O-OG 3.36Å; R275-T281 WeakPolarHBondContact CG-OG1 3.49Å |
| 276 | R | 74.6 | Confident | 76.4 | Confident | 87 Ų | 87 | 60.6 Ų | 60.6 | 33% | 0.328 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -77.2 | -27.9 | -177.5 | -70.1 | 172.6 | 178.2 | 152.2 | 11.7 | 114.8 | V272 H273 V274 G294 H295 | V272-R276 HydrophobicContact CG1-CG 4.46Å; V272-R276 VanDerWaalsContact O-CB 3.29Å; V272-R276 WeakPolarHBondContact O-CB 3.47Å; V272-R276 WeakPolarHBondContact O-CG 3.15Å; V272-R276 PolarHBondContact O-N 3Å; H273-R276 PolarHBondContact O-N 2.79Å; V274-R276 PolarHBondContact O-N 3.13Å; R276-G294 VanDerWaalsContact CZ-O 3.31Å; R276-G294 PolarHBondContact NE-O 2.72Å; R276-G294 PolarHBondContact NH2-O 3.06Å; R276-H295 PolarHBondContact NH1-CE1 2.78Å; R276-H295 PolarHBondContact NH1-ND1 3.44Å; R276-H295 PolarHBondContact NH1-NE2 3.13Å; R276-H295 VanDerWaalsContact NH1-NE2 3.1Å |
| 277 | S | 72.8 | Confident | 76.4 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 46% | 0.462 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -111.7 | -22.6 | -166.7 | -36.9 | 0 | 0 | 0 | 0 | 114 | H273 V274 | H273-S277 PolarHBondContact CE1-OG 3.18Å; H273-S277 VanDerWaalsContact CE1-OG 3.32Å; H273-S277 PolarHBondContact ND1-OG 3.27Å; H273-S277 WeakPolarHBondContact O-CB 3.41Å; H273-S277 PolarHBondContact O-N 2.76Å; H273-S277 PolarHBondContact O-OG 2.86Å; V274-S277 PolarHBondContact O-N 2.85Å |
| 278 | H | 76.1 | Confident | 76.6 | Confident | 63 Ų | 63 | 69.2 Ų | 69.2 | 29% | 0.292 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -34.2 | -173.7 | -63.2 | -57.8 | 0 | 0 | 0 | 113.7 | C257 K259 H273 V274 | C257-H278 PolarHBondContact SG-NE2 3.31Å; K259-H278 HydrophobicContact CD-CB 3.95Å; H273-H278 AromaticContact CE1-NE2 3.78Å; H273-H278 AromaticContact NE2-CD2 3.82Å; H273-H278 AromaticContact NE2-NE2 3.5Å; H273-H278 PolarHBondContact NE2-NE2 2.82Å; V274-H278 HydrophobicContact CG1-CB 4.46Å; V274-H278 WeakPolarHBondContact O-CA 3.24Å; V274-H278 WeakPolarHBondContact O-CB 3.48Å; V274-H278 PolarHBondContact O-N 2.89Å |
| 279 | S | 65.9 | Low | 76.8 | Confident | 66 Ų | 66 | 65.6 Ų | 65.6 | 46% | 0.462 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -88.1 | -3.1 | 179.2 | 80.4 | 0 | 0 | 0 | 0 | 114.8 | V274 R275 T281 | V274-S279 PolarHBondContact O-N 2.87Å; V274-S279 VanDerWaalsContact O-N 3.1Å; R275-S279 WeakPolarHBondContact CA-OG 3.21Å; R275-S279 PolarHBondContact O-OG 3.36Å; S279-T281 PolarHBondContact O-N 3.2Å; S279-T281 PolarHBondContact OG-OG1 2.88Å |
| 280 | G | 64.2 | Low | 76.7 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 58% | 0.577 | 38% | 0.375 | S | S | * | . | trans | 68.6 | -12.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | R282 | G280-R282 PolarHBondContact O-N 3.48Š| ||
| 281 | T | 65.9 | Low | 76.8 | Confident | 65 Ų | 65 | 72.5 Ų | 72.5 | 40% | 0.399 | 40% | 0.397 | S | S | . | . | trans | -68.7 | 100.9 | -179.6 | 65 | 0 | 0 | 0 | 0 | 110.7 | R275 S279 P283 | R275-T281 WeakPolarHBondContact CG-OG1 3.49Å; S279-T281 PolarHBondContact O-N 3.2Å; S279-T281 PolarHBondContact OG-OG1 2.88Å; T281-P283 WeakPolarHBondContact O-CD 3.31Å | ||
| 282 | R | 71.7 | Confident | 77 | Confident | 112 Ų | 112 | 71.8 Ų | 71.8 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | trans | -106.3 | 93.5 | 176.8 | -73.7 | 168.9 | 69.5 | 111.4 | -2.7 | 106.9 | G280 F284 T292 F293 | G280-R282 PolarHBondContact O-N 3.48Å; R282-F284 PolarHBondContact O-N 2.86Å; R282-F284 VanDerWaalsContact O-N 3.13Å; R282-T292 WeakPolarHBondContact CB-OG1 3.37Å; R282-T292 PolarHBondContact NE-O 3.23Å; R282-T292 PolarHBondContact NH2-O 3.22Å; R282-T292 WeakPolarHBondContact O-CB 3.37Å; R282-F293 CarbonylContact C-O 3.38Å; R282-F293 VanDerWaalsContact C-O 3.23Å; R282-F293 WeakPolarHBondContact CA-O 3.3Å | ||
| 283 | P | 76.4 | Confident | 77.2 | Confident | 69 Ų | 69 | 72.2 Ų | 72.2 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | trans | -67.2 | -21.4 | -161 | -21.6 | 34 | 0 | 0 | 0 | 114.4 | T281 A285 | T281-P283 WeakPolarHBondContact O-CD 3.31Å; P283-A285 PolarHBondContact O-N 3.47Å | ||
| 284 | F | 79.6 | Confident | 77.1 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 32% | 0.316 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 90.9 | -170.3 | -56.9 | -78.7 | 0 | 0 | 0 | 109.7 | R282 T292 F293 G294 A296 L299 | R282-F284 PolarHBondContact O-N 2.86Å; R282-F284 VanDerWaalsContact O-N 3.13Å; F284-T292 CarbonylContact O-C 3.47Å; F284-T292 WeakPolarHBondContact O-CA 3.31Å; F284-F293 HydrophobicContact CB-CB 4.22Å; F284-F293 PolarHBondContact N-O 3.15Å; F284-F293 WeakPolarHBondContact O-CD2 3.35Å; F284-F293 PolarHBondContact O-N 3.15Å; F284-G294 WeakPolarHBondContact CE2-O 3.46Å; F284-A296 HydrophobicContact CD1-CB 3.91Å; F284-A296 HydrophobicContact CE1-CB 3.69Å; F284-A296 HydrophobicContact CG-CB 4.49Å; F284-A296 HydrophobicContact CZ-CB 4.09Å; F284-L299 HydrophobicContact CB-CB 3.89Å; F284-L299 HydrophobicContact CB-CD2 3.83Å; F284-L299 HydrophobicContact CB-CG 4.47Å |
| 285 | A | 82.4 | Confident | 77.1 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 145 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P283 T292 L299 | P283-A285 PolarHBondContact O-N 3.47Å; A285-T292 HydrophobicContact CB-CG2 4.17Å; A285-L299 WeakPolarHBondContact O-CD1 3.26Å; A285-L299 VanDerWaalsContact O-CD2 3.3Å; A285-L299 WeakPolarHBondContact O-CD2 3.32Å |
| 286 | C | 85.7 | Confident | 77.4 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.02 | 41% | 0.408 | C | S | . | . | trans | -92.5 | 110.2 | 169 | -175 | 0 | 0 | 0 | 0 | 110.1 | M288 C289 G290 K291 F293 L299 H306 | C286-M288 PolarHBondContact O-N 2.87Å; C286-C289 PolarHBondContact O-N 3.5Å; C286-C289 VanDerWaalsContact O-N 3.13Å; C286-G290 WeakPolarHBondContact O-CA 3.4Å; C286-G290 PolarHBondContact O-N 2.85Å; C286-K291 WeakPolarHBondContact CB-O 3.31Å; C286-K291 PolarHBondContact N-O 3.26Å; C286-F293 HydrophobicContact CB-CE2 4.3Å; C286-L299 HydrophobicContact CB-CD1 3.57Å; C286-H306 PolarHBondContact SG-NE2 3.04Å | ||
| 287 | E | 82.7 | Confident | 77.9 | Confident | 175 Ų | 175 | 71.8 Ų | 71.8 | 82% | 0.818 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -39 | 178 | -67.8 | 145 | -139.1 | 0 | 0 | 112.8 | C289 | E287-C289 VanDerWaalsContact C-N 3.34Å; E287-C289 PolarHBondContact O-N 2.93Å |
| 288 | M | 80.8 | Confident | 78.4 | Confident | 145 Ų | 145 | 71 Ų | 71 | 71% | 0.714 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -16.3 | -177.1 | -61.8 | -57.5 | -65.4 | 0 | 0 | 115.2 | C286 | C286-M288 PolarHBondContact O-N 2.87Š|
| 289 | C | 84.4 | Confident | 78.8 | Confident | 46 Ų | 46 | 69 Ų | 69 | 31% | 0.311 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -153 | 10.1 | -176.3 | 69.8 | 0 | 0 | 0 | 0 | 116.2 | C286 E287 K291 H302 H306 | C286-C289 PolarHBondContact O-N 3.5Å; C286-C289 VanDerWaalsContact O-N 3.13Å; E287-C289 VanDerWaalsContact C-N 3.34Å; E287-C289 PolarHBondContact O-N 2.93Å; C289-K291 PolarHBondContact O-N 3.19Å; C289-H302 PolarHBondContact SG-NE2 3.22Å; C289-H306 WeakPolarHBondContact CB-CE1 3.45Å; C289-H306 WeakPolarHBondContact CB-NE2 3.4Å; C289-H306 PolarHBondContact SG-CE1 3.44Å; C289-H306 PolarHBondContact SG-NE2 3.41Å |
| 290 | G | 79.6 | Confident | 79.6 | Confident | 58 Ų | 58 | 72.3 Ų | 72.3 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | trans | 66.3 | -1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | C286 T292 | C286-G290 WeakPolarHBondContact O-CA 3.4Å; C286-G290 PolarHBondContact O-N 2.85Å; G290-T292 PolarHBondContact O-N 2.95Å | ||
| 291 | K | 81.4 | Confident | 80.3 | Confident | 118 Ų | 118 | 74.3 Ų | 74.3 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | trans | -70 | 124.5 | -177.4 | -70.9 | 177.4 | -174.5 | 169.4 | 0 | 110.6 | C286 C289 F293 | C286-K291 WeakPolarHBondContact CB-O 3.31Å; C286-K291 PolarHBondContact N-O 3.26Å; C289-K291 PolarHBondContact O-N 3.19Å; K291-F293 HydrophobicContact CB-CE2 3.83Å; K291-F293 HydrophobicContact CB-CZ 3.99Å; K291-F293 WeakPolarHBondContact O-CD2 3.46Å; K291-F293 WeakPolarHBondContact O-CE2 3.47Å | ||
| 292 | T | 81.9 | Confident | 81.2 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 36% | 0.362 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 149.4 | 179.2 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | R282 F284 A285 G290 | R282-T292 WeakPolarHBondContact CB-OG1 3.37Å; R282-T292 PolarHBondContact NE-O 3.23Å; R282-T292 PolarHBondContact NH2-O 3.22Å; R282-T292 WeakPolarHBondContact O-CB 3.37Å; F284-T292 CarbonylContact O-C 3.47Å; F284-T292 WeakPolarHBondContact O-CA 3.31Å; A285-T292 HydrophobicContact CB-CG2 4.17Å; G290-T292 PolarHBondContact O-N 2.95Å |
| 293 | F | 81.4 | Confident | 81.7 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 150.9 | -178.5 | -62 | -87.1 | 0 | 0 | 0 | 111.3 | R282 F284 C286 K291 L299 H302 | R282-F293 CarbonylContact C-O 3.38Å; R282-F293 VanDerWaalsContact C-O 3.23Å; R282-F293 WeakPolarHBondContact CA-O 3.3Å; F284-F293 HydrophobicContact CB-CB 4.22Å; F284-F293 PolarHBondContact N-O 3.15Å; F284-F293 WeakPolarHBondContact O-CD2 3.35Å; F284-F293 PolarHBondContact O-N 3.15Å; C286-F293 HydrophobicContact CB-CE2 4.3Å; K291-F293 HydrophobicContact CB-CE2 3.83Å; K291-F293 HydrophobicContact CB-CZ 3.99Å; K291-F293 WeakPolarHBondContact O-CD2 3.46Å; K291-F293 WeakPolarHBondContact O-CE2 3.47Å; F293-L299 HydrophobicContact CB-CB 4.28Å; F293-L299 HydrophobicContact CD2-CB 3.98Å; F293-L299 HydrophobicContact CD2-CD1 3.91Å; F293-L299 HydrophobicContact CE2-CD1 4.17Å; F293-L299 HydrophobicContact CG-CB 4.31Å; F293-H302 HydrophobicContact CE1-CB 3.97Å; F293-H302 HydrophobicContact CE2-CB 3.79Å; F293-H302 AromaticContact CE2-CD2 3.37Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.44Å; F293-H302 AromaticContact CE2-CG 3.59Å; F293-H302 HydrophobicContact CZ-CB 3.46Å; F293-H302 VanDerWaalsContact CZ-CB 3.46Å; F293-H302 AromaticContact CZ-CD2 3.4Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.47Å; F293-H302 AromaticContact CZ-CG 3.2Å; F293-H302 AromaticContact CZ-ND1 3.76Å |
| 294 | G | 78.8 | Confident | 81.8 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -77.2 | -21.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | R276 F284 | R276-G294 VanDerWaalsContact CZ-O 3.31Å; R276-G294 PolarHBondContact NE-O 2.72Å; R276-G294 PolarHBondContact NH2-O 3.06Å; F284-G294 WeakPolarHBondContact CE2-O 3.46Å |
| 295 | H | 78.9 | Confident | 81.8 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -132.6 | 144.8 | -176.2 | -60 | -120.3 | 0 | 0 | 0 | 110.8 | R276 V297 S298 L299 | R276-H295 PolarHBondContact NH1-CE1 2.78Å; R276-H295 PolarHBondContact NH1-ND1 3.44Å; R276-H295 PolarHBondContact NH1-NE2 3.13Å; R276-H295 VanDerWaalsContact NH1-NE2 3.1Å; H295-V297 PolarHBondContact O-N 2.82Å; H295-S298 WeakPolarHBondContact O-CB 3.41Å; H295-S298 PolarHBondContact O-N 3.18Å; H295-S298 VanDerWaalsContact O-N 3.13Å; H295-L299 PolarHBondContact O-N 3.34Å |
| 296 | A | 81.3 | Confident | 81.6 | Confident | 50 Ų | 50 | 72.6 Ų | 72.6 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -54.7 | -49.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F284 S298 L299 E300 | F284-A296 HydrophobicContact CD1-CB 3.91Å; F284-A296 HydrophobicContact CE1-CB 3.69Å; F284-A296 HydrophobicContact CG-CB 4.49Å; F284-A296 HydrophobicContact CZ-CB 4.09Å; A296-S298 PolarHBondContact O-N 2.53Å; A296-S298 VanDerWaalsContact O-N 3.14Å; A296-L299 CarbonylContact O-C 3.58Å; A296-L299 WeakPolarHBondContact O-CA 3.44Å; A296-L299 WeakPolarHBondContact O-CB 3.42Å; A296-L299 PolarHBondContact O-N 3.11Å; A296-E300 PolarHBondContact O-N 2.91Å |
| 297 | V | 83.4 | Confident | 81 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 59% | 0.594 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -57 | -32.3 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | H295 Q301 | H295-V297 PolarHBondContact O-N 2.82Å; V297-Q301 VanDerWaalsContact O-CB 3.25Å; V297-Q301 WeakPolarHBondContact O-CB 2.94Å; V297-Q301 PolarHBondContact O-N 3.38Å |
| 298 | S | 83.4 | Confident | 80.1 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -74.5 | -34.1 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | H295 A296 H302 | H295-S298 WeakPolarHBondContact O-CB 3.41Å; H295-S298 PolarHBondContact O-N 3.18Å; H295-S298 VanDerWaalsContact O-N 3.13Å; A296-S298 PolarHBondContact O-N 2.53Å; A296-S298 VanDerWaalsContact O-N 3.14Å; S298-H302 VanDerWaalsContact O-CB 3.25Å; S298-H302 WeakPolarHBondContact O-CB 3.42Å; S298-H302 PolarHBondContact O-N 3.25Å |
| 299 | L | 84.3 | Confident | 79.3 | Confident | 21 Ų | 21 | 74 Ų | 74 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 171.9 | 169.6 | 62.4 | 0 | 0 | 0 | 110.8 | F284 A285 C286 F293 H295 A296 H302 K303 | F284-L299 HydrophobicContact CB-CB 3.89Å; F284-L299 HydrophobicContact CB-CD2 3.83Å; F284-L299 HydrophobicContact CB-CG 4.47Å; A285-L299 WeakPolarHBondContact O-CD1 3.26Å; A285-L299 VanDerWaalsContact O-CD2 3.3Å; A285-L299 WeakPolarHBondContact O-CD2 3.32Å; C286-L299 HydrophobicContact CB-CD1 3.57Å; F293-L299 HydrophobicContact CB-CB 4.28Å; F293-L299 HydrophobicContact CD2-CB 3.98Å; F293-L299 HydrophobicContact CD2-CD1 3.91Å; F293-L299 HydrophobicContact CE2-CD1 4.17Å; F293-L299 HydrophobicContact CG-CB 4.31Å; H295-L299 PolarHBondContact O-N 3.34Å; A296-L299 CarbonylContact O-C 3.58Å; A296-L299 WeakPolarHBondContact O-CA 3.44Å; A296-L299 WeakPolarHBondContact O-CB 3.42Å; A296-L299 PolarHBondContact O-N 3.11Å; L299-H302 CarbonylContact O-C 3.3Å; L299-H302 WeakPolarHBondContact O-CA 3.24Å; L299-H302 VanDerWaalsContact O-CB 3.31Å; L299-H302 WeakPolarHBondContact O-CB 3.47Å; L299-H302 PolarHBondContact O-N 3.33Å; L299-K303 PolarHBondContact O-N 3.01Å |
| 300 | E | 82.4 | Confident | 78.4 | Confident | 134 Ų | 134 | 78 Ų | 78 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.5 | -50.6 | 177 | -175.1 | 179.9 | -165.5 | 0 | 0 | 111.6 | A296 H302 K303 A304 | A296-E300 PolarHBondContact O-N 2.91Å; E300-H302 PolarHBondContact O-N 2.97Å; E300-H302 VanDerWaalsContact O-N 3.15Å; E300-K303 WeakPolarHBondContact O-CB 3.3Å; E300-K303 PolarHBondContact O-N 3.42Å; E300-A304 PolarHBondContact O-N 3.19Å |
| 301 | Q | 80.8 | Confident | 78.2 | Confident | 98 Ų | 98 | 78.8 Ų | 78.8 | 46% | 0.458 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.7 | -27.1 | 170.6 | -178.7 | 167.6 | 117.2 | 0 | 0 | 112.6 | V297 R323 | V297-Q301 VanDerWaalsContact O-CB 3.25Å; V297-Q301 WeakPolarHBondContact O-CB 2.94Å; V297-Q301 PolarHBondContact O-N 3.38Å; Q301-R323 HydrophobicContact CG-CG 4.35Å |
| 302 | H | 83.4 | Confident | 78.2 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 9% | 0.093 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -79.3 | -30.1 | 173.8 | -177.8 | 60.8 | 0 | 0 | 0 | 113.5 | C289 F293 S298 L299 E300 A304 V305 H306 | C289-H302 PolarHBondContact SG-NE2 3.22Å; F293-H302 HydrophobicContact CE1-CB 3.97Å; F293-H302 HydrophobicContact CE2-CB 3.79Å; F293-H302 AromaticContact CE2-CD2 3.37Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.44Å; F293-H302 AromaticContact CE2-CG 3.59Å; F293-H302 HydrophobicContact CZ-CB 3.46Å; F293-H302 VanDerWaalsContact CZ-CB 3.46Å; F293-H302 AromaticContact CZ-CD2 3.4Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.47Å; F293-H302 AromaticContact CZ-CG 3.2Å; F293-H302 AromaticContact CZ-ND1 3.76Å; S298-H302 VanDerWaalsContact O-CB 3.25Å; S298-H302 WeakPolarHBondContact O-CB 3.42Å; S298-H302 PolarHBondContact O-N 3.25Å; L299-H302 CarbonylContact O-C 3.3Å; L299-H302 WeakPolarHBondContact O-CA 3.24Å; L299-H302 VanDerWaalsContact O-CB 3.31Å; L299-H302 WeakPolarHBondContact O-CB 3.47Å; L299-H302 PolarHBondContact O-N 3.33Å; E300-H302 PolarHBondContact O-N 2.97Å; E300-H302 VanDerWaalsContact O-N 3.15Å; H302-A304 PolarHBondContact O-N 2.72Å; H302-V305 WeakPolarHBondContact O-CA 3.41Å; H302-V305 WeakPolarHBondContact O-CB 3.35Å; H302-V305 WeakPolarHBondContact O-CG2 3.45Å; H302-V305 PolarHBondContact O-N 2.75Å; H302-H306 AromaticContact CD2-NE2 3.48Å; H302-H306 PolarHBondContact CD2-NE2 2.73Å; H302-H306 AromaticContact CE1-NE2 3.73Å; H302-H306 AromaticContact NE2-NE2 2.8Å; H302-H306 PolarHBondContact NE2-NE2 2.82Å |
| 303 | K | 82.6 | Confident | 78.3 | Confident | 111 Ų | 111 | 77.9 Ų | 77.9 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.1 | -35.3 | 172.3 | -70.3 | -175.7 | 176.3 | -169.9 | 0 | 110.8 | L299 E300 V305 H306 S307 | L299-K303 PolarHBondContact O-N 3.01Å; E300-K303 WeakPolarHBondContact O-CB 3.3Å; E300-K303 PolarHBondContact O-N 3.42Å; K303-V305 PolarHBondContact O-N 3.47Å; K303-V305 VanDerWaalsContact O-N 3.07Å; K303-H306 PolarHBondContact O-N 3.08Å; K303-S307 PolarHBondContact O-N 3.49Å |
| 304 | A | 78.4 | Confident | 78.7 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 25% | 0.248 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.4 | -11.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E300 H302 S307 K322 | E300-A304 PolarHBondContact O-N 3.19Å; H302-A304 PolarHBondContact O-N 2.72Å; A304-S307 VanDerWaalsContact O-O 3.07Å; A304-K322 VanDerWaalsContact O-CD 3.25Å; A304-K322 WeakPolarHBondContact O-CD 3.49Å; A304-K322 WeakPolarHBondContact O-CE 3.45Å; A304-K322 PolarHBondContact O-NZ 3.37Å |
| 305 | V | 79 | Confident | 79 | Confident | 83 Ų | 83 | 85.3 Ų | 85.3 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.1 | -39.9 | 169.3 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | H302 K303 K322 | H302-V305 WeakPolarHBondContact O-CA 3.41Å; H302-V305 WeakPolarHBondContact O-CB 3.35Å; H302-V305 WeakPolarHBondContact O-CG2 3.45Å; H302-V305 PolarHBondContact O-N 2.75Å; K303-V305 PolarHBondContact O-N 3.47Å; K303-V305 VanDerWaalsContact O-N 3.07Å; V305-K322 PolarHBondContact O-NZ 3.47Å |
| 306 | H | 79.9 | Confident | 79.5 | Confident | 90 Ų | 90 | 86.4 Ų | 86.4 | 42% | 0.417 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -79.1 | -35.9 | 179.1 | -62.3 | -66 | 0 | 0 | 0 | 112.6 | C286 C289 H302 K303 | C286-H306 PolarHBondContact SG-NE2 3.04Å; C289-H306 WeakPolarHBondContact CB-CE1 3.45Å; C289-H306 WeakPolarHBondContact CB-NE2 3.4Å; C289-H306 PolarHBondContact SG-CE1 3.44Å; C289-H306 PolarHBondContact SG-NE2 3.41Å; H302-H306 AromaticContact CD2-NE2 3.48Å; H302-H306 PolarHBondContact CD2-NE2 2.73Å; H302-H306 AromaticContact CE1-NE2 3.73Å; H302-H306 AromaticContact NE2-NE2 2.8Å; H302-H306 PolarHBondContact NE2-NE2 2.82Å; K303-H306 PolarHBondContact O-N 3.08Å |
| 307 | S | 72 | Confident | 79.8 | Confident | 46 Ų | 46 | 86 Ų | 86 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -67.3 | 139.2 | 167.7 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | K303 A304 E309 K322 | K303-S307 PolarHBondContact O-N 3.49Å; A304-S307 VanDerWaalsContact O-O 3.07Å; S307-E309 PolarHBondContact O-N 2.83Å; S307-E309 WeakPolarHBondContact OG-CB 3.2Å; S307-E309 PolarHBondContact OG-N 3.48Å; S307-K322 PolarHBondContact O-NZ 2.8Å |
| 308 | Q | 64.3 | Low | 79.8 | Confident | 171 Ų | 171 | 84.1 Ų | 84.1 | 80% | 0.799 | 44% | 0.437 | S | S | * | . | trans | -73.4 | -12.2 | 169.8 | -162.2 | 81.8 | -37.3 | 0 | 0 | 111.3 | R310 | Q308-R310 WeakPolarHBondContact O-CG 3.48Å; Q308-R310 PolarHBondContact O-N 3.28Å | ||
| 309 | E | 64.3 | Low | 80 | Confident | 136 Ų | 136 | 87.4 Ų | 87.4 | 64% | 0.636 | 45% | 0.445 | S | S | * | . | trans | -59.9 | 129.3 | -178.2 | -167.9 | 175.3 | -167.2 | 0 | 0 | 112.4 | S307 | S307-E309 PolarHBondContact O-N 2.83Å; S307-E309 WeakPolarHBondContact OG-CB 3.2Å; S307-E309 PolarHBondContact OG-N 3.48Å | ||
| 310 | R | 65.4 | Low | 80 | Confident | 129 Ų | 129 | 88.6 Ų | 88.6 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | trans | -133.4 | 81.1 | -178.2 | -62.9 | 170.3 | 93.1 | 103.4 | 0.5 | 107.2 | Q308 F312 S320 F321 K322 | Q308-R310 WeakPolarHBondContact O-CG 3.48Å; Q308-R310 PolarHBondContact O-N 3.28Å; R310-F312 PolarHBondContact O-N 2.98Å; R310-F312 VanDerWaalsContact O-N 3.17Å; R310-S320 VanDerWaalsContact CB-CB 3.4Å; R310-S320 PolarHBondContact NE-O 3.07Å; R310-S320 PolarHBondContact NH2-O 2.95Å; R310-S320 WeakPolarHBondContact O-CB 3.41Å; R310-F321 CarbonylContact C-O 3.51Å; R310-F321 WeakPolarHBondContact CA-O 3.49Å; R310-K322 HydrophobicContact CG-CG 3.97Å | ||
| 311 | S | 74.8 | Confident | 80.1 | Confident | 76 Ų | 76 | 84.2 Ų | 84.2 | 53% | 0.531 | 43% | 0.434 | S | S | . | . | trans | -71.4 | -3.3 | -168.5 | 44.5 | 0 | 0 | 0 | 0 | 115.9 | F321 | S311-F321 PolarHBondContact N-O 3.2Š| ||
| 312 | F | 80.7 | Confident | 80.2 | Confident | 73 Ų | 73 | 82.2 Ų | 82.2 | 32% | 0.32 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 92.3 | -177.3 | -59 | -76.7 | 0 | 0 | 0 | 111 | R310 S320 F321 L327 | R310-F312 PolarHBondContact O-N 2.98Å; R310-F312 VanDerWaalsContact O-N 3.17Å; F312-S320 CarbonylContact O-C 3.44Å; F312-S320 WeakPolarHBondContact O-CA 3.21Å; F312-F321 HydrophobicContact CB-CB 4.33Å; F312-F321 PolarHBondContact N-O 2.77Å; F312-F321 PolarHBondContact O-N 3.48Å; F312-L327 HydrophobicContact CB-CB 4.14Å; F312-L327 HydrophobicContact CB-CD2 3.9Å |
| 313 | D | 85.6 | Confident | 80.2 | Confident | 85 Ų | 85 | 86 Ų | 86 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 148.8 | 176.9 | 64.7 | -72.7 | 0 | 0 | 0 | 113.1 | L327 | D313-L327 WeakPolarHBondContact O-CD2 3.34Å |
| 314 | C | 88.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 83.6 Ų | 83.6 | 1% | 0.007 | 43% | 0.434 | C | S | . | . | trans | -95.6 | 106.3 | 167.4 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | I316 C317 G318 K319 F321 L327 H334 | C314-I316 PolarHBondContact O-N 3.13Å; C314-C317 PolarHBondContact O-N 3.03Å; C314-C317 VanDerWaalsContact O-N 3.13Å; C314-C317 VanDerWaalsContact SG-SG 3.64Å; C314-G318 WeakPolarHBondContact O-CA 3.44Å; C314-G318 PolarHBondContact O-N 2.75Å; C314-K319 WeakPolarHBondContact CB-O 3.48Å; C314-K319 PolarHBondContact N-O 2.9Å; C314-F321 HydrophobicContact CB-CE2 4.26Å; C314-L327 HydrophobicContact CB-CD1 3.7Å; C314-H334 PolarHBondContact SG-NE2 3.46Å | ||
| 315 | K | 86.1 | Confident | 80.7 | Confident | 197 Ų | 197 | 85.3 Ų | 85.3 | 86% | 0.857 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -19.8 | 178.2 | -59 | -170.6 | 178.3 | -171.7 | 0 | 115.4 | ||
| 316 | I | 87.8 | Confident | 81.1 | Confident | 114 Ų | 114 | 83 Ų | 83 | 59% | 0.585 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -29.8 | -177.3 | -55.5 | 172.8 | 0 | 0 | 0 | 112.3 | C314 H334 | C314-I316 PolarHBondContact O-N 3.13Å; I316-H334 HydrophobicContact CD1-CB 3.54Å; I316-H334 HydrophobicContact CG2-CB 4.37Å; I316-H334 WeakPolarHBondContact CG2-ND1 3.08Å |
| 317 | C | 88.7 | Confident | 81.5 | Confident | 41 Ų | 41 | 79.9 Ų | 79.9 | 28% | 0.277 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.2 | 13.7 | -175.4 | 70 | 0 | 0 | 0 | 0 | 115.3 | C314 K319 H330 H334 | C314-C317 PolarHBondContact O-N 3.03Å; C314-C317 VanDerWaalsContact O-N 3.13Å; C314-C317 VanDerWaalsContact SG-SG 3.64Å; C317-K319 PolarHBondContact O-N 3.1Å; C317-H330 PolarHBondContact SG-NE2 3.44Å; C317-H334 WeakPolarHBondContact CB-CE1 3.31Å; C317-H334 PolarHBondContact SG-CE1 2.9Å; C317-H334 PolarHBondContact SG-NE2 2.85Å |
| 318 | G | 84 | Confident | 82.2 | Confident | 59 Ų | 59 | 80.7 Ų | 80.7 | 61% | 0.608 | 42% | 0.423 | S | S | * | . | trans | 66 | -0.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | C314 S320 | C314-G318 WeakPolarHBondContact O-CA 3.44Å; C314-G318 PolarHBondContact O-N 2.75Å; G318-S320 PolarHBondContact O-N 2.91Å | ||
| 319 | K | 85.9 | Confident | 83.3 | Confident | 120 Ų | 120 | 75 Ų | 75 | 52% | 0.522 | 40% | 0.4 | S | S | . | . | trans | -73.7 | 120.5 | -174.8 | -69.2 | 175.8 | -169.2 | 165.7 | 0 | 111.2 | C314 C317 F321 | C314-K319 WeakPolarHBondContact CB-O 3.48Å; C314-K319 PolarHBondContact N-O 2.9Å; C317-K319 PolarHBondContact O-N 3.1Å; K319-F321 HydrophobicContact CB-CE2 3.85Å; K319-F321 HydrophobicContact CB-CZ 4.14Å; K319-F321 VanDerWaalsContact O-CD2 3.26Å; K319-F321 WeakPolarHBondContact O-CD2 3.37Å; K319-F321 WeakPolarHBondContact O-CE2 3.4Å | ||
| 320 | S | 85.6 | Confident | 84.5 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 33% | 0.329 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 139.8 | 177.7 | -34.3 | 0 | 0 | 0 | 0 | 112.7 | R310 F312 G318 | R310-S320 VanDerWaalsContact CB-CB 3.4Å; R310-S320 PolarHBondContact NE-O 3.07Å; R310-S320 PolarHBondContact NH2-O 2.95Å; R310-S320 WeakPolarHBondContact O-CB 3.41Å; F312-S320 CarbonylContact O-C 3.44Å; F312-S320 WeakPolarHBondContact O-CA 3.21Å; G318-S320 PolarHBondContact O-N 2.91Å |
| 321 | F | 84.4 | Confident | 85.6 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 18% | 0.18 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.8 | -177.4 | -64.3 | -91.3 | 0 | 0 | 0 | 111.3 | R310 S311 F312 C314 K319 R323 L327 H330 | R310-F321 CarbonylContact C-O 3.51Å; R310-F321 WeakPolarHBondContact CA-O 3.49Å; S311-F321 PolarHBondContact N-O 3.2Å; F312-F321 HydrophobicContact CB-CB 4.33Å; F312-F321 PolarHBondContact N-O 2.77Å; F312-F321 PolarHBondContact O-N 3.48Å; C314-F321 HydrophobicContact CB-CE2 4.26Å; K319-F321 HydrophobicContact CB-CE2 3.85Å; K319-F321 HydrophobicContact CB-CZ 4.14Å; K319-F321 VanDerWaalsContact O-CD2 3.26Å; K319-F321 WeakPolarHBondContact O-CD2 3.37Å; K319-F321 WeakPolarHBondContact O-CE2 3.4Å; F321-R323 VanDerWaalsContact C-N 3.32Å; F321-L327 HydrophobicContact CB-CB 4.32Å; F321-L327 HydrophobicContact CD2-CB 4.11Å; F321-L327 HydrophobicContact CD2-CD1 3.85Å; F321-L327 HydrophobicContact CE2-CD1 4.09Å; F321-L327 HydrophobicContact CG-CB 4.32Å; F321-H330 HydrophobicContact CE1-CB 4Å; F321-H330 HydrophobicContact CE2-CB 4.05Å; F321-H330 AromaticContact CE2-CD2 3.26Å; F321-H330 WeakPolarHBondContact CE2-CD2 3.42Å; F321-H330 AromaticContact CE2-CG 3.68Å; F321-H330 AromaticContact CE2-NE2 3.96Å; F321-H330 HydrophobicContact CZ-CB 3.59Å; F321-H330 AromaticContact CZ-CD2 3.3Å; F321-H330 WeakPolarHBondContact CZ-CD2 3.42Å; F321-H330 AromaticContact CZ-CG 3.25Å; F321-H330 AromaticContact CZ-ND1 3.84Å; F321-H330 AromaticContact CZ-NE2 3.9Å |
| 322 | K | 83 | Confident | 86.3 | Confident | 56 Ų | 56 | 64.8 Ų | 64.8 | 24% | 0.243 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -82.8 | -5.9 | 178.7 | -64.7 | -171.3 | 167.3 | -144.1 | 0 | 113.6 | A304 V305 S307 R310 | A304-K322 VanDerWaalsContact O-CD 3.25Å; A304-K322 WeakPolarHBondContact O-CD 3.49Å; A304-K322 WeakPolarHBondContact O-CE 3.45Å; A304-K322 PolarHBondContact O-NZ 3.37Å; V305-K322 PolarHBondContact O-NZ 3.47Å; S307-K322 PolarHBondContact O-NZ 2.8Å; R310-K322 HydrophobicContact CG-CG 3.97Å |
| 323 | R | 83.1 | Confident | 86.6 | Confident | 99 Ų | 99 | 66 Ų | 66 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -149.5 | 138.3 | -179.2 | -52.4 | -174.2 | -62 | 171.3 | 3.7 | 111.3 | Q301 F321 S325 T326 L327 | Q301-R323 HydrophobicContact CG-CG 4.35Å; F321-R323 VanDerWaalsContact C-N 3.32Å; R323-S325 VanDerWaalsContact C-N 3.32Å; R323-S325 PolarHBondContact O-N 2.85Å; R323-T326 HydrophobicContact CB-CG2 4.5Å; R323-T326 PolarHBondContact O-N 3.34Å; R323-T326 VanDerWaalsContact O-N 3.08Å; R323-T326 PolarHBondContact O-OG1 2.67Å; R323-L327 PolarHBondContact O-N 3.46Å |
| 324 | S | 85.2 | Confident | 86.6 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 43% | 0.427 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -52.1 | -48.3 | 172.7 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | T326 L327 S328 | S324-T326 PolarHBondContact O-N 2.98Å; S324-T326 VanDerWaalsContact O-N 3.1Å; S324-L327 CarbonylContact O-C 3.59Å; S324-L327 WeakPolarHBondContact O-CA 3.43Å; S324-L327 WeakPolarHBondContact O-CB 3.43Å; S324-L327 PolarHBondContact O-N 3.32Å; S324-S328 PolarHBondContact O-N 3.38Å; S324-S328 PolarHBondContact O-OG 3.01Å; S324-S328 VanDerWaalsContact O-OG 3.12Å |
| 325 | S | 85.7 | Confident | 86.1 | Confident | 67 Ų | 67 | 67.8 Ų | 67.8 | 47% | 0.469 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59 | -30.7 | -179.7 | 74 | 0 | 0 | 0 | 0 | 114 | R323 T329 | R323-S325 VanDerWaalsContact C-N 3.32Å; R323-S325 PolarHBondContact O-N 2.85Å; S325-T329 PolarHBondContact O-N 2.95Å; S325-T329 VanDerWaalsContact O-N 3.16Å; S325-T329 PolarHBondContact O-OG1 3.13Å |
| 326 | T | 86.9 | Confident | 85.7 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -76.5 | -34.6 | 174.9 | 46.8 | 0 | 0 | 0 | 0 | 112.5 | R323 S324 T329 H330 | R323-T326 HydrophobicContact CB-CG2 4.5Å; R323-T326 PolarHBondContact O-N 3.34Å; R323-T326 VanDerWaalsContact O-N 3.08Å; R323-T326 PolarHBondContact O-OG1 2.67Å; S324-T326 PolarHBondContact O-N 2.98Å; S324-T326 VanDerWaalsContact O-N 3.1Å; T326-T329 WeakPolarHBondContact CA-OG1 3.41Å; T326-T329 PolarHBondContact O-OG1 3.5Å; T326-H330 WeakPolarHBondContact O-CB 3.09Å; T326-H330 PolarHBondContact O-N 3.47Å |
| 327 | L | 88.4 | Confident | 85.5 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 12% | 0.12 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 168.9 | 173.6 | 63.1 | 0 | 0 | 0 | 110.3 | F312 D313 C314 F321 R323 S324 T329 H330 L331 | F312-L327 HydrophobicContact CB-CB 4.14Å; F312-L327 HydrophobicContact CB-CD2 3.9Å; D313-L327 WeakPolarHBondContact O-CD2 3.34Å; C314-L327 HydrophobicContact CB-CD1 3.7Å; F321-L327 HydrophobicContact CB-CB 4.32Å; F321-L327 HydrophobicContact CD2-CB 4.11Å; F321-L327 HydrophobicContact CD2-CD1 3.85Å; F321-L327 HydrophobicContact CE2-CD1 4.09Å; F321-L327 HydrophobicContact CG-CB 4.32Å; R323-L327 PolarHBondContact O-N 3.46Å; S324-L327 CarbonylContact O-C 3.59Å; S324-L327 WeakPolarHBondContact O-CA 3.43Å; S324-L327 WeakPolarHBondContact O-CB 3.43Å; S324-L327 PolarHBondContact O-N 3.32Å; L327-T329 VanDerWaalsContact C-N 3.34Å; L327-T329 PolarHBondContact O-N 3.34Å; L327-H330 CarbonylContact O-C 3.41Å; L327-H330 WeakPolarHBondContact O-CA 3.45Å; L327-H330 WeakPolarHBondContact O-CB 3.31Å; L327-H330 PolarHBondContact O-N 3.48Å; L327-L331 HydrophobicContact CD1-CD1 4.47Å; L327-L331 HydrophobicContact CD1-CD2 4.19Å; L327-L331 HydrophobicContact CD1-CG 4.08Å; L327-L331 HydrophobicContact CG-CD1 4.25Å; L327-L331 HydrophobicContact CG-CG 4.31Å; L327-L331 WeakPolarHBondContact O-CG 3.46Å; L327-L331 PolarHBondContact O-N 3.19Å |
| 328 | S | 87.6 | Confident | 85.5 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55.4 | -46.7 | 176.9 | -46.6 | 0 | 0 | 0 | 0 | 112.2 | S324 H330 L331 L332 | S324-S328 PolarHBondContact O-N 3.38Å; S324-S328 PolarHBondContact O-OG 3.01Å; S324-S328 VanDerWaalsContact O-OG 3.12Å; S328-H330 PolarHBondContact O-N 3.19Å; S328-L331 PolarHBondContact O-N 3.07Å; S328-L332 PolarHBondContact O-N 2.74Å |
| 329 | T | 87.8 | Confident | 85.7 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.4 | -19.9 | 175.1 | 56 | 0 | 0 | 0 | 0 | 114.2 | S325 T326 L327 | S325-T329 PolarHBondContact O-N 2.95Å; S325-T329 VanDerWaalsContact O-N 3.16Å; S325-T329 PolarHBondContact O-OG1 3.13Å; T326-T329 WeakPolarHBondContact CA-OG1 3.41Å; T326-T329 PolarHBondContact O-OG1 3.5Å; L327-T329 VanDerWaalsContact C-N 3.34Å; L327-T329 PolarHBondContact O-N 3.34Å |
| 330 | H | 89 | Confident | 86.1 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 9% | 0.088 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -83.8 | -34.9 | 175 | 170.8 | 59.7 | 0 | 0 | 0 | 112.1 | C317 F321 T326 L327 S328 L332 I333 H334 | C317-H330 PolarHBondContact SG-NE2 3.44Å; F321-H330 HydrophobicContact CE1-CB 4Å; F321-H330 HydrophobicContact CE2-CB 4.05Å; F321-H330 AromaticContact CE2-CD2 3.26Å; F321-H330 WeakPolarHBondContact CE2-CD2 3.42Å; F321-H330 AromaticContact CE2-CG 3.68Å; F321-H330 AromaticContact CE2-NE2 3.96Å; F321-H330 HydrophobicContact CZ-CB 3.59Å; F321-H330 AromaticContact CZ-CD2 3.3Å; F321-H330 WeakPolarHBondContact CZ-CD2 3.42Å; F321-H330 AromaticContact CZ-CG 3.25Å; F321-H330 AromaticContact CZ-ND1 3.84Å; F321-H330 AromaticContact CZ-NE2 3.9Å; T326-H330 WeakPolarHBondContact O-CB 3.09Å; T326-H330 PolarHBondContact O-N 3.47Å; L327-H330 CarbonylContact O-C 3.41Å; L327-H330 WeakPolarHBondContact O-CA 3.45Å; L327-H330 WeakPolarHBondContact O-CB 3.31Å; L327-H330 PolarHBondContact O-N 3.48Å; S328-H330 PolarHBondContact O-N 3.19Å; H330-L332 PolarHBondContact O-N 2.69Å; H330-I333 VanDerWaalsContact O-CB 3.25Å; H330-I333 WeakPolarHBondContact O-CB 3.35Å; H330-I333 WeakPolarHBondContact O-CG1 3.47Å; H330-I333 PolarHBondContact O-N 3.43Å; H330-H334 AromaticContact CD2-NE2 3.4Å; H330-H334 PolarHBondContact CD2-NE2 2.99Å; H330-H334 AromaticContact CE1-NE2 2.88Å; H330-H334 PolarHBondContact CE1-NE2 2.81Å; H330-H334 AromaticContact ND1-NE2 3.99Å; H330-H334 AromaticContact NE2-CD2 3.83Å; H330-H334 AromaticContact NE2-NE2 2.36Å; H330-H334 PolarHBondContact NE2-NE2 3.02Å |
| 331 | L | 88.9 | Confident | 86.4 | Confident | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.2 | -27.9 | 173.5 | -65.9 | 174.4 | 0 | 0 | 0 | 112 | L327 S328 I333 H334 S335 | L327-L331 HydrophobicContact CD1-CD1 4.47Å; L327-L331 HydrophobicContact CD1-CD2 4.19Å; L327-L331 HydrophobicContact CD1-CG 4.08Å; L327-L331 HydrophobicContact CG-CD1 4.25Å; L327-L331 HydrophobicContact CG-CG 4.31Å; L327-L331 WeakPolarHBondContact O-CG 3.46Å; L327-L331 PolarHBondContact O-N 3.19Å; S328-L331 PolarHBondContact O-N 3.07Å; L331-I333 PolarHBondContact O-N 3.5Å; L331-I333 VanDerWaalsContact O-N 3.07Å; L331-H334 PolarHBondContact O-N 3.13Å; L331-S335 PolarHBondContact O-N 3Å; L331-S335 PolarHBondContact O-OG 3.15Å |
| 332 | L | 88.6 | Confident | 86.9 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -13.6 | 168.4 | -60.4 | 178.5 | 0 | 0 | 0 | 114.1 | S328 H330 S335 T337 P339 H350 | S328-L332 PolarHBondContact O-N 2.74Å; H330-L332 PolarHBondContact O-N 2.69Å; L332-S335 CarbonylContact C-O 3.42Å; L332-T337 VanDerWaalsContact CD2-OG1 3.29Å; L332-T337 WeakPolarHBondContact CD2-OG1 3.42Å; L332-P339 HydrophobicContact CD1-CG 4.14Å; L332-H350 HydrophobicContact CB-CB 4.17Å; L332-H350 WeakPolarHBondContact CD1-O 3.35Å; L332-H350 PolarHBondContact O-CE1 3.04Å; L332-H350 PolarHBondContact O-ND1 2.68Å |
| 333 | I | 87.3 | Confident | 87.3 | Confident | 98 Ų | 98 | 68.6 Ų | 68.6 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -25.6 | 174.1 | -55 | 179.4 | 0 | 0 | 0 | 111 | H330 L331 | H330-I333 VanDerWaalsContact O-CB 3.25Å; H330-I333 WeakPolarHBondContact O-CB 3.35Å; H330-I333 WeakPolarHBondContact O-CG1 3.47Å; H330-I333 PolarHBondContact O-N 3.43Å; L331-I333 PolarHBondContact O-N 3.5Å; L331-I333 VanDerWaalsContact O-N 3.07Å |
| 334 | H | 86.3 | Confident | 87.7 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 35% | 0.347 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -34.1 | -179.5 | -65.9 | -66.8 | 0 | 0 | 0 | 112.9 | C314 I316 C317 H330 L331 | C314-H334 PolarHBondContact SG-NE2 3.46Å; I316-H334 HydrophobicContact CD1-CB 3.54Å; I316-H334 HydrophobicContact CG2-CB 4.37Å; I316-H334 WeakPolarHBondContact CG2-ND1 3.08Å; C317-H334 WeakPolarHBondContact CB-CE1 3.31Å; C317-H334 PolarHBondContact SG-CE1 2.9Å; C317-H334 PolarHBondContact SG-NE2 2.85Å; H330-H334 AromaticContact CD2-NE2 3.4Å; H330-H334 PolarHBondContact CD2-NE2 2.99Å; H330-H334 AromaticContact CE1-NE2 2.88Å; H330-H334 PolarHBondContact CE1-NE2 2.81Å; H330-H334 AromaticContact ND1-NE2 3.99Å; H330-H334 AromaticContact NE2-CD2 3.83Å; H330-H334 AromaticContact NE2-NE2 2.36Å; H330-H334 PolarHBondContact NE2-NE2 3.02Å; L331-H334 PolarHBondContact O-N 3.13Å |
| 335 | S | 78.9 | Confident | 88.1 | Confident | 49 Ų | 49 | 70.4 Ų | 70.4 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -81.4 | 136.8 | 159.8 | 69 | 0 | 0 | 0 | 0 | 108.3 | L331 L332 T337 | L331-S335 PolarHBondContact O-N 3Å; L331-S335 PolarHBondContact O-OG 3.15Å; L332-S335 CarbonylContact C-O 3.42Å; S335-T337 PolarHBondContact O-N 3.2Å; S335-T337 PolarHBondContact OG-OG1 2.93Å |
| 336 | D | 77.6 | Confident | 88.2 | Confident | 146 Ų | 146 | 69.5 Ų | 69.5 | 78% | 0.781 | 37% | 0.373 | S | S | * | . | trans | -66.4 | 10.2 | 175 | -75.2 | -62.6 | 0 | 0 | 0 | 114.9 | R338 | D336-R338 PolarHBondContact O-N 3.05Š| ||
| 337 | T | 83.3 | Confident | 88.5 | Confident | 73 Ų | 73 | 74.3 Ų | 74.3 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | trans | -66.9 | 113.2 | 176.1 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | L332 S335 P339 H350 | L332-T337 VanDerWaalsContact CD2-OG1 3.29Å; L332-T337 WeakPolarHBondContact CD2-OG1 3.42Å; S335-T337 PolarHBondContact O-N 3.2Å; S335-T337 PolarHBondContact OG-OG1 2.93Å; T337-P339 WeakPolarHBondContact O-CD 3.33Å; T337-H350 PolarHBondContact O-ND1 2.85Å | ||
| 338 | R | 87.9 | Confident | 88.7 | Confident | 110 Ų | 110 | 79.4 Ų | 79.4 | 42% | 0.415 | 41% | 0.408 | S | S | . | . | trans | -116.2 | 86 | 174 | -70 | 162.1 | 178.6 | -103.1 | -0.8 | 108.1 | D336 Y340 R348 F349 H350 | D336-R338 PolarHBondContact O-N 3.05Å; R338-Y340 PolarHBondContact O-N 2.73Å; R338-R348 HydrophobicContact CB-CB 3.39Å; R338-R348 WeakPolarHBondContact CD-O 3.49Å; R338-R348 HydrophobicContact CG-CB 4.36Å; R338-R348 PolarHBondContact NH1-O 3.22Å; R338-R348 VanDerWaalsContact O-CZ 3.32Å; R338-R348 PolarHBondContact O-NE 3.3Å; R338-R348 PolarHBondContact O-NH2 2.8Å; R338-F349 CarbonylContact C-O 3.58Å; R338-H350 WeakPolarHBondContact CG-CE1 3.29Å; R338-H350 PolarHBondContact NH2-NE2 3.07Å | ||
| 339 | P | 88.8 | Confident | 88.8 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | trans | -68.4 | -16.1 | -168.9 | 22.5 | -32.2 | 0 | 0 | 0 | 114.6 | L332 T337 P341 | L332-P339 HydrophobicContact CD1-CG 4.14Å; T337-P339 WeakPolarHBondContact O-CD 3.33Å; P339-P341 WeakPolarHBondContact O-CD 3.25Å | ||
| 340 | Y | 93.3 | Very high | 88.9 | Confident | 90 Ų | 90 | 77.7 Ų | 77.7 | 35% | 0.353 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 94.2 | -174.5 | -53.4 | -68.7 | 0 | 0 | 0 | 112.3 | R338 R348 F349 H350 K352 | R338-Y340 PolarHBondContact O-N 2.73Å; Y340-R348 WeakPolarHBondContact O-CA 3.34Å; Y340-F349 PolarHBondContact N-O 2.83Å; Y340-F349 VanDerWaalsContact N-O 3.12Å; Y340-F349 PolarHBondContact O-N 3.4Å; Y340-H350 WeakPolarHBondContact CE2-O 3.2Å; Y340-K352 HydrophobicContact CD1-CB 3.88Å; Y340-K352 HydrophobicContact CD1-CG 4.36Å; Y340-K352 HydrophobicContact CD2-CB 4.34Å; Y340-K352 HydrophobicContact CE1-CB 3.85Å; Y340-K352 HydrophobicContact CE1-CG 4.5Å; Y340-K352 HydrophobicContact CE2-CB 4.28Å; Y340-K352 HydrophobicContact CG-CB 4.12Å |
| 341 | P | 93.1 | Very high | 89 | Confident | 44 Ų | 44 | 80.5 Ų | 80.5 | 29% | 0.286 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 149.1 | 171.9 | 31.6 | -35.1 | 0 | 0 | 0 | 112 | P339 K347 R348 | P339-P341 WeakPolarHBondContact O-CD 3.25Å; P341-K347 CarbonylContact C-O 3.49Å; P341-R348 HydrophobicContact CB-CG 4.28Å |
| 342 | C | 94.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 84 Ų | 84 | 1% | 0.014 | 41% | 0.414 | C | S | . | . | trans | -83.2 | 126.5 | 165.1 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | Y344 G346 K347 F349 H358 | C342-Y344 VanDerWaalsContact C-N 3.29Å; C342-Y344 PolarHBondContact O-N 2.87Å; C342-G346 WeakPolarHBondContact O-CA 3.45Å; C342-G346 PolarHBondContact O-N 3.29Å; C342-K347 WeakPolarHBondContact CB-O 3.45Å; C342-K347 PolarHBondContact N-O 2.93Å; C342-F349 HydrophobicContact CB-CE2 4.24Å; C342-H358 PolarHBondContact SG-CD2 3.14Å | ||
| 343 | Q | 92.4 | Very high | 89.2 | Confident | 170 Ų | 170 | 84.7 Ų | 84.7 | 79% | 0.794 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -27.6 | -178.3 | -60.6 | -62.2 | -8.1 | 0 | 0 | 113.4 | ||
| 344 | Y | 91.5 | Very high | 89.5 | Confident | 145 Ų | 145 | 82.8 Ų | 82.8 | 57% | 0.569 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -22.7 | -176.8 | -59.4 | -77.6 | 0 | 0 | 0 | 114.5 | C342 T359 H362 T363 | C342-Y344 VanDerWaalsContact C-N 3.29Å; C342-Y344 PolarHBondContact O-N 2.87Å; Y344-T359 HydrophobicContact CD2-CG2 4.2Å; Y344-T359 HydrophobicContact CE2-CG2 4.13Å; Y344-H362 VanDerWaalsContact CB-CG 3.47Å; Y344-H362 HydrophobicContact CD1-CB 4.19Å; Y344-H362 HydrophobicContact CD2-CB 3.71Å; Y344-H362 AromaticContact CD2-CD2 3.87Å; Y344-H362 AromaticContact CD2-CG 3.9Å; Y344-H362 HydrophobicContact CE2-CB 4.25Å; Y344-H362 HydrophobicContact CG-CB 3.68Å; Y344-H362 AromaticContact CG-CG 3.77Å; Y344-T363 HydrophobicContact CE2-CG2 4.34Å |
| 345 | C | 92.7 | Very high | 89.8 | Confident | 52 Ų | 52 | 80.9 Ų | 80.9 | 35% | 0.351 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.8 | 14.7 | -172.2 | 71.2 | 0 | 0 | 0 | 0 | 115.3 | K347 H358 H362 | C345-K347 PolarHBondContact O-N 3.48Å; C345-H358 PolarHBondContact SG-NE2 3.49Å; C345-H362 VanDerWaalsContact SG-CE1 3.6Å; C345-H362 PolarHBondContact SG-NE2 3.06Å |
| 346 | G | 88.4 | Confident | 90.5 | Very high | 49 Ų | 49 | 85 Ų | 85 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | trans | 67.9 | -17.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | C342 R348 | C342-G346 WeakPolarHBondContact O-CA 3.45Å; C342-G346 PolarHBondContact O-N 3.29Å; G346-R348 WeakPolarHBondContact O-CG 3.38Å; G346-R348 PolarHBondContact O-N 3.4Å | ||
| 347 | K | 92.4 | Very high | 91.1 | Very high | 135 Ų | 135 | 82.2 Ų | 82.2 | 59% | 0.587 | 40% | 0.398 | S | S | * | . | trans | -53.7 | 128.9 | -176.3 | -72.1 | -177.4 | 179.8 | 179.9 | 0 | 111.6 | P341 C342 C345 F349 | P341-K347 CarbonylContact C-O 3.49Å; C342-K347 WeakPolarHBondContact CB-O 3.45Å; C342-K347 PolarHBondContact N-O 2.93Å; C345-K347 PolarHBondContact O-N 3.48Å; K347-F349 HydrophobicContact CB-CE2 4.14Å; K347-F349 HydrophobicContact CB-CZ 4.42Å; K347-F349 WeakPolarHBondContact O-CD2 3.43Å; K347-F349 VanDerWaalsContact O-CE2 3.29Å; K347-F349 WeakPolarHBondContact O-CE2 3.25Å | ||
| 348 | R | 91.9 | Very high | 91.6 | Very high | 131 Ų | 131 | 80 Ų | 80 | 49% | 0.494 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.6 | -171.1 | -50 | -172.6 | 64.6 | 112.7 | 2 | 112.9 | R338 Y340 P341 G346 | R338-R348 HydrophobicContact CB-CB 3.39Å; R338-R348 WeakPolarHBondContact CD-O 3.49Å; R338-R348 HydrophobicContact CG-CB 4.36Å; R338-R348 PolarHBondContact NH1-O 3.22Å; R338-R348 VanDerWaalsContact O-CZ 3.32Å; R338-R348 PolarHBondContact O-NE 3.3Å; R338-R348 PolarHBondContact O-NH2 2.8Å; Y340-R348 WeakPolarHBondContact O-CA 3.34Å; P341-R348 HydrophobicContact CB-CG 4.28Å; G346-R348 WeakPolarHBondContact O-CG 3.38Å; G346-R348 PolarHBondContact O-N 3.4Å |
| 349 | F | 91.1 | Very high | 91.8 | Very high | 43 Ų | 43 | 76 Ų | 76 | 19% | 0.189 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 152.6 | -175.4 | -59.8 | -93.1 | 0 | 0 | 0 | 112 | R338 Y340 C342 K347 D354 M355 H358 | R338-F349 CarbonylContact C-O 3.58Å; Y340-F349 PolarHBondContact N-O 2.83Å; Y340-F349 VanDerWaalsContact N-O 3.12Å; Y340-F349 PolarHBondContact O-N 3.4Å; C342-F349 HydrophobicContact CB-CE2 4.24Å; K347-F349 HydrophobicContact CB-CE2 4.14Å; K347-F349 HydrophobicContact CB-CZ 4.42Å; K347-F349 WeakPolarHBondContact O-CD2 3.43Å; K347-F349 VanDerWaalsContact O-CE2 3.29Å; K347-F349 WeakPolarHBondContact O-CE2 3.25Å; F349-D354 HydrophobicContact CD1-CB 4.28Å; F349-M355 HydrophobicContact CB-CB 4.08Å; F349-M355 HydrophobicContact CD2-CB 3.66Å; F349-M355 HydrophobicContact CD2-CG 3.93Å; F349-M355 HydrophobicContact CE2-CB 4.42Å; F349-M355 HydrophobicContact CE2-CG 4.45Å; F349-M355 HydrophobicContact CG-CB 3.98Å; F349-H358 HydrophobicContact CE1-CB 4.02Å; F349-H358 HydrophobicContact CE2-CB 4.05Å; F349-H358 AromaticContact CE2-CD2 3.59Å; F349-H358 AromaticContact CE2-CG 3.84Å; F349-H358 HydrophobicContact CZ-CB 3.5Å; F349-H358 AromaticContact CZ-CD2 3.53Å; F349-H358 AromaticContact CZ-CG 3.33Å; F349-H358 AromaticContact CZ-ND1 3.89Å |
| 350 | H | 90.1 | Very high | 92 | Very high | 36 Ų | 36 | 75 Ų | 75 | 17% | 0.167 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -79.6 | -19 | 175.2 | -50.1 | -77.1 | 0 | 0 | 0 | 113 | L332 T337 R338 Y340 | L332-H350 HydrophobicContact CB-CB 4.17Å; L332-H350 WeakPolarHBondContact CD1-O 3.35Å; L332-H350 PolarHBondContact O-CE1 3.04Å; L332-H350 PolarHBondContact O-ND1 2.68Å; T337-H350 PolarHBondContact O-ND1 2.85Å; R338-H350 WeakPolarHBondContact CG-CE1 3.29Å; R338-H350 PolarHBondContact NH2-NE2 3.07Å; Y340-H350 WeakPolarHBondContact CE2-O 3.2Å |
| 351 | Q | 90.8 | Very high | 91.9 | Very high | 77 Ų | 77 | 76.5 Ų | 76.5 | 36% | 0.36 | 37% | 0.373 | S | S | . | . | trans | -131.7 | 138.6 | 177.6 | -57.5 | -170.5 | 12.3 | 0 | 0 | 112.6 | S353 D354 M355 | Q351-S353 VanDerWaalsContact C-N 3.25Å; Q351-S353 WeakPolarHBondContact CB-OG 3.47Å; Q351-S353 PolarHBondContact O-N 3.32Å; Q351-S353 PolarHBondContact OE1-OG 3.15Å; Q351-D354 PolarHBondContact O-N 3.24Å; Q351-D354 VanDerWaalsContact O-N 3.14Å; Q351-M355 PolarHBondContact O-N 3.5Å; Q351-M355 VanDerWaalsContact O-N 3.15Å | ||
| 352 | K | 90.9 | Very high | 91.8 | Very high | 142 Ų | 142 | 78.1 Ų | 78.1 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.9 | -33.4 | 176.9 | -173.9 | 173.6 | -179.1 | 173.7 | 0 | 112.7 | Y340 D354 M355 K356 | Y340-K352 HydrophobicContact CD1-CB 3.88Å; Y340-K352 HydrophobicContact CD1-CG 4.36Å; Y340-K352 HydrophobicContact CD2-CB 4.34Å; Y340-K352 HydrophobicContact CE1-CB 3.85Å; Y340-K352 HydrophobicContact CE1-CG 4.5Å; Y340-K352 HydrophobicContact CE2-CB 4.28Å; Y340-K352 HydrophobicContact CG-CB 4.12Å; K352-D354 VanDerWaalsContact C-N 3.34Å; K352-M355 HydrophobicContact CG-CE 4.27Å; K352-K356 WeakPolarHBondContact O-CB 3.14Å; K352-K356 PolarHBondContact O-N 2.84Å |
| 353 | S | 90.9 | Very high | 91.6 | Very high | 54 Ų | 54 | 80.8 Ų | 80.8 | 38% | 0.378 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 174.8 | 41.4 | 0 | 0 | 0 | 0 | 112.5 | Q351 K356 K357 | Q351-S353 VanDerWaalsContact C-N 3.25Å; Q351-S353 WeakPolarHBondContact CB-OG 3.47Å; Q351-S353 PolarHBondContact O-N 3.32Å; Q351-S353 PolarHBondContact OE1-OG 3.15Å; S353-K356 PolarHBondContact O-N 2.92Å; S353-K357 VanDerWaalsContact O-CG 3.31Å; S353-K357 WeakPolarHBondContact O-CG 3.46Å; S353-K357 PolarHBondContact O-N 2.81Å |
| 354 | D | 91.9 | Very high | 91.5 | Very high | 57 Ų | 57 | 74.8 Ų | 74.8 | 31% | 0.305 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -80.6 | -36.4 | -177.6 | -62 | -33.4 | 0 | 0 | 0 | 111.6 | F349 Q351 K352 K356 K357 H358 | F349-D354 HydrophobicContact CD1-CB 4.28Å; Q351-D354 PolarHBondContact O-N 3.24Å; Q351-D354 VanDerWaalsContact O-N 3.14Å; K352-D354 VanDerWaalsContact C-N 3.34Å; D354-K356 VanDerWaalsContact C-N 3.34Å; D354-K356 PolarHBondContact O-N 3.4Å; D354-K357 PolarHBondContact O-N 2.96Å; D354-K357 IonicContact OD1-NZ 3.13Å; D354-K357 PolarHBondContact OD1-NZ 3.42Å; D354-H358 WeakPolarHBondContact O-CB 3.43Å; D354-H358 PolarHBondContact O-N 3.29Å |
| 355 | M | 94.4 | Very high | 91.4 | Very high | 36 Ų | 36 | 73 Ų | 73 | 18% | 0.177 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 165.8 | -176.9 | -79.9 | -70.2 | 0 | 0 | 111.1 | F349 Q351 K352 K357 H358 T359 | F349-M355 HydrophobicContact CB-CB 4.08Å; F349-M355 HydrophobicContact CD2-CB 3.66Å; F349-M355 HydrophobicContact CD2-CG 3.93Å; F349-M355 HydrophobicContact CE2-CB 4.42Å; F349-M355 HydrophobicContact CE2-CG 4.45Å; F349-M355 HydrophobicContact CG-CB 3.98Å; Q351-M355 PolarHBondContact O-N 3.5Å; Q351-M355 VanDerWaalsContact O-N 3.15Å; K352-M355 HydrophobicContact CG-CE 4.27Å; M355-K357 PolarHBondContact O-N 3.03Å; M355-H358 WeakPolarHBondContact O-CA 3.41Å; M355-H358 WeakPolarHBondContact O-CB 3.47Å; M355-H358 PolarHBondContact O-N 2.76Å; M355-T359 PolarHBondContact O-N 3.47Å; M355-T359 HydrophobicContact SD-CG2 3.86Å |
| 356 | K | 92.3 | Very high | 91.3 | Very high | 134 Ų | 134 | 76.2 Ų | 76.2 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.1 | -33.7 | 177.2 | -174.2 | 173.7 | -178.6 | 176.8 | 0 | 113.6 | K352 S353 D354 H358 T359 | K352-K356 WeakPolarHBondContact O-CB 3.14Å; K352-K356 PolarHBondContact O-N 2.84Å; S353-K356 PolarHBondContact O-N 2.92Å; D354-K356 VanDerWaalsContact C-N 3.34Å; D354-K356 PolarHBondContact O-N 3.4Å; K356-H358 VanDerWaalsContact C-N 3.3Å; K356-T359 PolarHBondContact O-OG1 2.97Å |
| 357 | K | 91.6 | Very high | 91.4 | Very high | 89 Ų | 89 | 77.6 Ų | 77.6 | 39% | 0.387 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.3 | -32.8 | 171.6 | -68.5 | 165.1 | -157.3 | 162.5 | 0 | 111.6 | S353 D354 M355 | S353-K357 VanDerWaalsContact O-CG 3.31Å; S353-K357 WeakPolarHBondContact O-CG 3.46Å; S353-K357 PolarHBondContact O-N 2.81Å; D354-K357 PolarHBondContact O-N 2.96Å; D354-K357 IonicContact OD1-NZ 3.13Å; D354-K357 PolarHBondContact OD1-NZ 3.42Å; M355-K357 PolarHBondContact O-N 3.03Å |
| 358 | H | 93.1 | Very high | 91.4 | Very high | 25 Ų | 25 | 74.2 Ų | 74.2 | 12% | 0.116 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.6 | -34.4 | 178 | 170.7 | 71.7 | 0 | 0 | 0 | 112.6 | C342 C345 F349 D354 M355 K356 F360 I361 H362 | C342-H358 PolarHBondContact SG-CD2 3.14Å; C345-H358 PolarHBondContact SG-NE2 3.49Å; F349-H358 HydrophobicContact CE1-CB 4.02Å; F349-H358 HydrophobicContact CE2-CB 4.05Å; F349-H358 AromaticContact CE2-CD2 3.59Å; F349-H358 AromaticContact CE2-CG 3.84Å; F349-H358 HydrophobicContact CZ-CB 3.5Å; F349-H358 AromaticContact CZ-CD2 3.53Å; F349-H358 AromaticContact CZ-CG 3.33Å; F349-H358 AromaticContact CZ-ND1 3.89Å; D354-H358 WeakPolarHBondContact O-CB 3.43Å; D354-H358 PolarHBondContact O-N 3.29Å; M355-H358 WeakPolarHBondContact O-CA 3.41Å; M355-H358 WeakPolarHBondContact O-CB 3.47Å; M355-H358 PolarHBondContact O-N 2.76Å; K356-H358 VanDerWaalsContact C-N 3.3Å; H358-F360 PolarHBondContact O-N 3.26Å; H358-F360 VanDerWaalsContact O-N 3.16Å; H358-I361 WeakPolarHBondContact O-CB 3.36Å; H358-I361 WeakPolarHBondContact O-CG1 3.42Å; H358-I361 PolarHBondContact O-N 3.15Å; H358-H362 AromaticContact CD2-NE2 3.96Å; H358-H362 AromaticContact CE1-NE2 3.62Å; H358-H362 AromaticContact NE2-CD2 3.81Å; H358-H362 AromaticContact NE2-NE2 3.1Å; H358-H362 PolarHBondContact NE2-NE2 2.94Å; H358-H362 VanDerWaalsContact NE2-NE2 3.1Å |
| 359 | T | 92.3 | Very high | 91.5 | Very high | 26 Ų | 26 | 74.6 Ų | 74.6 | 16% | 0.16 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60 | -26.6 | 177.8 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | Y344 M355 K356 I361 H362 T363 | Y344-T359 HydrophobicContact CD2-CG2 4.2Å; Y344-T359 HydrophobicContact CE2-CG2 4.13Å; M355-T359 PolarHBondContact O-N 3.47Å; M355-T359 HydrophobicContact SD-CG2 3.86Å; K356-T359 PolarHBondContact O-OG1 2.97Å; T359-I361 PolarHBondContact O-N 3.45Å; T359-I361 VanDerWaalsContact O-N 3.13Å; T359-H362 PolarHBondContact O-N 2.86Å; T359-T363 PolarHBondContact O-N 3.1Å; T359-T363 PolarHBondContact O-OG1 3.33Å |
| 360 | F | 92.6 | Very high | 91.6 | Very high | 37 Ų | 37 | 72.8 Ų | 72.8 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.1 | -16.8 | 172.7 | -59.4 | -37.9 | 0 | 0 | 0 | 114.6 | H358 G364 E365 S378 | H358-F360 PolarHBondContact O-N 3.26Å; H358-F360 VanDerWaalsContact O-N 3.16Å; F360-G364 WeakPolarHBondContact O-CA 3.16Å; F360-G364 PolarHBondContact O-N 3.48Å; F360-E365 HydrophobicContact CD1-CB 3.86Å; F360-E365 WeakPolarHBondContact CD1-OE2 3.44Å; F360-E365 HydrophobicContact CE1-CB 4.39Å; F360-E365 WeakPolarHBondContact CE1-OE2 3.08Å; F360-S378 WeakPolarHBondContact CD2-O 3.41Å |
| 361 | I | 91.7 | Very high | 91.7 | Very high | 123 Ų | 123 | 79.9 Ų | 79.9 | 63% | 0.631 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.7 | -34.2 | 172.5 | -58.4 | 178.9 | 0 | 0 | 0 | 110.5 | H358 T359 | H358-I361 WeakPolarHBondContact O-CB 3.36Å; H358-I361 WeakPolarHBondContact O-CG1 3.42Å; H358-I361 PolarHBondContact O-N 3.15Å; T359-I361 PolarHBondContact O-N 3.45Å; T359-I361 VanDerWaalsContact O-N 3.13Å |
| 362 | H | 91 | Very high | 91.8 | Very high | 78 Ų | 78 | 81.1 Ų | 81.1 | 36% | 0.361 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -85.4 | -42.2 | -179.8 | -59.6 | -71.6 | 0 | 0 | 0 | 112.2 | Y344 C345 H358 T359 G364 | Y344-H362 VanDerWaalsContact CB-CG 3.47Å; Y344-H362 HydrophobicContact CD1-CB 4.19Å; Y344-H362 HydrophobicContact CD2-CB 3.71Å; Y344-H362 AromaticContact CD2-CD2 3.87Å; Y344-H362 AromaticContact CD2-CG 3.9Å; Y344-H362 HydrophobicContact CE2-CB 4.25Å; Y344-H362 HydrophobicContact CG-CB 3.68Å; Y344-H362 AromaticContact CG-CG 3.77Å; C345-H362 VanDerWaalsContact SG-CE1 3.6Å; C345-H362 PolarHBondContact SG-NE2 3.06Å; H358-H362 AromaticContact CD2-NE2 3.96Å; H358-H362 AromaticContact CE1-NE2 3.62Å; H358-H362 AromaticContact NE2-CD2 3.81Å; H358-H362 AromaticContact NE2-NE2 3.1Å; H358-H362 PolarHBondContact NE2-NE2 2.94Å; H358-H362 VanDerWaalsContact NE2-NE2 3.1Å; T359-H362 PolarHBondContact O-N 2.86Å; H362-G364 VanDerWaalsContact C-N 3.29Å; H362-G364 PolarHBondContact O-N 2.96Å |
| 363 | T | 89.6 | Confident | 91.8 | Very high | 57 Ų | 57 | 76.5 Ų | 76.5 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -78.7 | -13 | 178.7 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | Y344 T359 E365 | Y344-T363 HydrophobicContact CE2-CG2 4.34Å; T359-T363 PolarHBondContact O-N 3.1Å; T359-T363 PolarHBondContact O-OG1 3.33Å; T363-E365 PolarHBondContact O-N 3.16Å; T363-E365 VanDerWaalsContact O-N 3.08Å; T363-E365 WeakPolarHBondContact OG1-CB 3.37Å; T363-E365 WeakPolarHBondContact OG1-CG 3.47Å; T363-E365 PolarHBondContact OG1-N 3.3Å; T363-E365 PolarHBondContact OG1-OE2 3.49Å |
| 364 | G | 89.5 | Confident | 91.8 | Very high | 45 Ų | 45 | 76.5 Ų | 76.5 | 46% | 0.464 | 41% | 0.405 | S | S | . | . | trans | 67 | 1.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F360 H362 K366 | F360-G364 WeakPolarHBondContact O-CA 3.16Å; F360-G364 PolarHBondContact O-N 3.48Å; H362-G364 VanDerWaalsContact C-N 3.29Å; H362-G364 PolarHBondContact O-N 2.96Å; G364-K366 PolarHBondContact O-N 3.17Å | ||
| 365 | E | 89.8 | Confident | 91.8 | Very high | 108 Ų | 108 | 80 Ų | 80 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | trans | -60.6 | 127.1 | -175.6 | -75.1 | 176.8 | 155.1 | 0 | 0 | 112 | F360 T363 P367 | F360-E365 HydrophobicContact CD1-CB 3.86Å; F360-E365 WeakPolarHBondContact CD1-OE2 3.44Å; F360-E365 HydrophobicContact CE1-CB 4.39Å; F360-E365 WeakPolarHBondContact CE1-OE2 3.08Å; T363-E365 PolarHBondContact O-N 3.16Å; T363-E365 VanDerWaalsContact O-N 3.08Å; T363-E365 WeakPolarHBondContact OG1-CB 3.37Å; T363-E365 WeakPolarHBondContact OG1-CG 3.47Å; T363-E365 PolarHBondContact OG1-N 3.3Å; T363-E365 PolarHBondContact OG1-OE2 3.49Å; E365-P367 WeakPolarHBondContact O-CD 3.33Å | ||
| 366 | K | 91.5 | Very high | 91.8 | Very high | 119 Ų | 119 | 79.9 Ų | 79.9 | 52% | 0.517 | 42% | 0.422 | S | S | . | . | trans | -127.2 | 73.6 | -179.4 | -72 | 161.7 | -178 | 173.1 | 0 | 109.8 | G364 H368 A376 F377 | G364-K366 PolarHBondContact O-N 3.17Å; K366-H368 PolarHBondContact O-N 3.34Å; K366-H368 VanDerWaalsContact O-N 3.15Å; K366-A376 HydrophobicContact CB-CB 3.52Å; K366-A376 HydrophobicContact CD-CB 4.19Å; K366-A376 HydrophobicContact CG-CB 4.41Å; K366-F377 CarbonylContact C-O 3.58Å; K366-F377 VanDerWaalsContact C-O 3.3Å; K366-F377 WeakPolarHBondContact CA-O 3.5Å | ||
| 367 | P | 90.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 75.7 Ų | 75.7 | 50% | 0.5 | 40% | 0.404 | S | S | . | . | trans | -65.6 | -15.5 | -174 | 25.6 | -35 | 0 | 0 | 0 | 114.2 | E365 | E365-P367 WeakPolarHBondContact O-CD 3.33Š| ||
| 368 | H | 92.8 | Very high | 91.7 | Very high | 64 Ų | 64 | 73.1 Ų | 73.1 | 30% | 0.296 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 91.4 | -176 | -58.2 | -62.8 | 0 | 0 | 0 | 111.3 | K366 F377 S380 L383 | K366-H368 PolarHBondContact O-N 3.34Å; K366-H368 VanDerWaalsContact O-N 3.15Å; H368-F377 HydrophobicContact CB-CB 4.42Å; H368-F377 WeakPolarHBondContact CB-O 3.5Å; H368-F377 PolarHBondContact N-O 2.99Å; H368-F377 PolarHBondContact O-N 2.94Å; H368-S380 PolarHBondContact CD2-N 3.08Å; H368-S380 PolarHBondContact NE2-N 3.14Å; H368-L383 HydrophobicContact CB-CB 4.07Å; H368-L383 HydrophobicContact CB-CD2 3.86Å |
| 369 | K | 93.1 | Very high | 91.7 | Very high | 139 Ų | 139 | 75.2 Ų | 75.2 | 60% | 0.604 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 138.8 | 177.9 | -62.8 | -176.1 | 179.9 | -178.5 | 0 | 112.1 | A376 | K369-A376 HydrophobicContact CG-CB 3.9Å |
| 370 | C | 94.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 77 Ų | 77 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | trans | -81.3 | 122.8 | 170.4 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | V372 G374 K375 F377 L383 | C370-V372 VanDerWaalsContact C-N 3.29Å; C370-V372 PolarHBondContact O-N 2.97Å; C370-G374 WeakPolarHBondContact O-CA 3.5Å; C370-G374 PolarHBondContact O-N 2.91Å; C370-K375 WeakPolarHBondContact CB-O 3.26Å; C370-K375 PolarHBondContact N-O 3.2Å; C370-F377 HydrophobicContact CB-CE2 4.47Å; C370-L383 HydrophobicContact CB-CD1 3.61Å | ||
| 371 | Q | 92.4 | Very high | 91.6 | Very high | 184 Ų | 184 | 77.9 Ų | 77.9 | 86% | 0.86 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -22.6 | -179 | -57.1 | -60.1 | -10.4 | 0 | 0 | 113.2 | ||
| 372 | V | 91.4 | Very high | 91.6 | Very high | 104 Ų | 104 | 75.1 Ų | 75.1 | 63% | 0.63 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -31.7 | -177.2 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | C370 H390 | C370-V372 VanDerWaalsContact C-N 3.29Å; C370-V372 PolarHBondContact O-N 2.97Å; V372-H390 HydrophobicContact CG1-CB 4.24Å |
| 373 | C | 92.7 | Very high | 91.8 | Very high | 45 Ų | 45 | 73.2 Ų | 73.2 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.8 | 14.9 | -174.5 | 69.2 | 0 | 0 | 0 | 0 | 114.7 | K375 H386 H390 | C373-K375 PolarHBondContact O-N 2.99Å; C373-H386 PolarHBondContact SG-NE2 2.55Å; C373-H390 WeakPolarHBondContact CB-NE2 3.25Å; C373-H390 PolarHBondContact SG-NE2 2.77Å |
| 374 | G | 90.1 | Very high | 91.9 | Very high | 53 Ų | 53 | 75 Ų | 75 | 55% | 0.546 | 42% | 0.416 | S | S | . | . | trans | 68 | -15.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | C370 A376 | C370-G374 WeakPolarHBondContact O-CA 3.5Å; C370-G374 PolarHBondContact O-N 2.91Å; G374-A376 PolarHBondContact O-N 3.1Å | ||
| 375 | K | 92.1 | Very high | 92 | Very high | 130 Ų | 130 | 74.7 Ų | 74.7 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | trans | -59.5 | 127 | -171.9 | -69.5 | -176.5 | -178.8 | -178.5 | 0 | 112 | C370 C373 F377 | C370-K375 WeakPolarHBondContact CB-O 3.26Å; C370-K375 PolarHBondContact N-O 3.2Å; C373-K375 PolarHBondContact O-N 2.99Å; K375-F377 HydrophobicContact CB-CE2 4.07Å; K375-F377 HydrophobicContact CB-CZ 4.17Å; K375-F377 VanDerWaalsContact O-CE2 3.31Å; K375-F377 WeakPolarHBondContact O-CE2 3.15Å | ||
| 376 | A | 93.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 70.7 Ų | 70.7 | 28% | 0.281 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K366 K369 G374 | K366-A376 HydrophobicContact CB-CB 3.52Å; K366-A376 HydrophobicContact CD-CB 4.19Å; K366-A376 HydrophobicContact CG-CB 4.41Å; K369-A376 HydrophobicContact CG-CB 3.9Å; G374-A376 PolarHBondContact O-N 3.1Å |
| 377 | F | 91 | Very high | 92.1 | Very high | 46 Ų | 46 | 67.1 Ų | 67.1 | 20% | 0.202 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147.9 | -177.1 | -58 | -86.5 | 0 | 0 | 0 | 111.7 | K366 H368 C370 K375 Q379 N382 L383 H386 | K366-F377 CarbonylContact C-O 3.58Å; K366-F377 VanDerWaalsContact C-O 3.3Å; K366-F377 WeakPolarHBondContact CA-O 3.5Å; H368-F377 HydrophobicContact CB-CB 4.42Å; H368-F377 WeakPolarHBondContact CB-O 3.5Å; H368-F377 PolarHBondContact N-O 2.99Å; H368-F377 PolarHBondContact O-N 2.94Å; C370-F377 HydrophobicContact CB-CE2 4.47Å; K375-F377 HydrophobicContact CB-CE2 4.07Å; K375-F377 HydrophobicContact CB-CZ 4.17Å; K375-F377 VanDerWaalsContact O-CE2 3.31Å; K375-F377 WeakPolarHBondContact O-CE2 3.15Å; F377-Q379 VanDerWaalsContact C-N 3.31Å; F377-N382 HydrophobicContact CB-CB 4.19Å; F377-N382 HydrophobicContact CD1-CB 3.93Å; F377-N382 HydrophobicContact CG-CB 4.26Å; F377-L383 HydrophobicContact CD2-CB 4Å; F377-L383 HydrophobicContact CD2-CD1 4.02Å; F377-L383 HydrophobicContact CE2-CD1 4.19Å; F377-L383 HydrophobicContact CG-CB 4.47Å; F377-H386 HydrophobicContact CE1-CB 4.2Å; F377-H386 HydrophobicContact CE2-CB 3.89Å; F377-H386 AromaticContact CE2-CD2 3.47Å; F377-H386 VanDerWaalsContact CE2-CD2 3.47Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.26Å; F377-H386 AromaticContact CE2-CG 3.64Å; F377-H386 HydrophobicContact CZ-CB 3.56Å; F377-H386 AromaticContact CZ-CD2 3.62Å; F377-H386 AromaticContact CZ-CG 3.32Å; F377-H386 AromaticContact CZ-ND1 3.71Å |
| 378 | S | 91.6 | Very high | 92.2 | Very high | 35 Ų | 35 | 66 Ų | 66 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -78.3 | -11.8 | 174.7 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | F360 | F360-S378 WeakPolarHBondContact CD2-O 3.41Š|
| 379 | Q | 92.3 | Very high | 92 | Very high | 70 Ų | 70 | 69.5 Ų | 69.5 | 33% | 0.327 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -137.9 | 139.1 | -179.5 | -58.6 | -175 | 6.9 | 0 | 0 | 111.5 | F377 S381 N382 L383 | F377-Q379 VanDerWaalsContact C-N 3.31Å; Q379-S381 VanDerWaalsContact C-N 3.32Å; Q379-S381 PolarHBondContact O-N 2.92Å; Q379-S381 PolarHBondContact OE1-OG 3.04Å; Q379-N382 HydrophobicContact CB-CB 4.46Å; Q379-N382 WeakPolarHBondContact O-CB 3.38Å; Q379-N382 PolarHBondContact O-N 3.08Å; Q379-N382 VanDerWaalsContact O-N 3.15Å; Q379-L383 PolarHBondContact O-N 3.1Å |
| 380 | S | 92.7 | Very high | 91.9 | Very high | 63 Ų | 63 | 67.7 Ų | 67.7 | 44% | 0.441 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -33.2 | 179.3 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | H368 N382 L383 I384 | H368-S380 PolarHBondContact CD2-N 3.08Å; H368-S380 PolarHBondContact NE2-N 3.14Å; S380-N382 VanDerWaalsContact C-N 3.29Å; S380-N382 PolarHBondContact O-N 3.48Å; S380-L383 PolarHBondContact O-N 2.7Å; S380-I384 VanDerWaalsContact O-CG1 3.3Å; S380-I384 WeakPolarHBondContact O-CG1 3.12Å; S380-I384 PolarHBondContact O-N 3.35Å |
| 381 | S | 90.9 | Very high | 91.6 | Very high | 55 Ų | 55 | 72.3 Ų | 72.3 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.6 | -39.3 | 171.5 | 45.9 | 0 | 0 | 0 | 0 | 112.9 | Q379 T385 | Q379-S381 VanDerWaalsContact C-N 3.32Å; Q379-S381 PolarHBondContact O-N 2.92Å; Q379-S381 PolarHBondContact OE1-OG 3.04Å; S381-T385 WeakPolarHBondContact O-CG2 3.35Å; S381-T385 PolarHBondContact O-N 3.4Å; S381-T385 PolarHBondContact O-OG1 3.26Å |
| 382 | N | 92.6 | Very high | 91.3 | Very high | 66 Ų | 66 | 65.5 Ų | 65.5 | 35% | 0.353 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.7 | -38.6 | 177.5 | -65.6 | -11.6 | 0 | 0 | 0 | 110.8 | F377 Q379 S380 T385 H386 | F377-N382 HydrophobicContact CB-CB 4.19Å; F377-N382 HydrophobicContact CD1-CB 3.93Å; F377-N382 HydrophobicContact CG-CB 4.26Å; Q379-N382 HydrophobicContact CB-CB 4.46Å; Q379-N382 WeakPolarHBondContact O-CB 3.38Å; Q379-N382 PolarHBondContact O-N 3.08Å; Q379-N382 VanDerWaalsContact O-N 3.15Å; S380-N382 VanDerWaalsContact C-N 3.29Å; S380-N382 PolarHBondContact O-N 3.48Å; N382-T385 WeakPolarHBondContact CA-OG1 3.47Å; N382-T385 PolarHBondContact O-OG1 2.36Å; N382-H386 WeakPolarHBondContact O-CB 3.3Å; N382-H386 PolarHBondContact O-N 2.88Å |
| 383 | L | 93.9 | Very high | 91.2 | Very high | 38 Ų | 38 | 66.3 Ų | 66.3 | 20% | 0.199 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 171.5 | 174.1 | 60.4 | 0 | 0 | 0 | 112 | H368 C370 F377 Q379 S380 H386 S387 | H368-L383 HydrophobicContact CB-CB 4.07Å; H368-L383 HydrophobicContact CB-CD2 3.86Å; C370-L383 HydrophobicContact CB-CD1 3.61Å; F377-L383 HydrophobicContact CD2-CB 4Å; F377-L383 HydrophobicContact CD2-CD1 4.02Å; F377-L383 HydrophobicContact CE2-CD1 4.19Å; F377-L383 HydrophobicContact CG-CB 4.47Å; Q379-L383 PolarHBondContact O-N 3.1Å; S380-L383 PolarHBondContact O-N 2.7Å; L383-H386 PolarHBondContact O-N 3.18Å; L383-S387 PolarHBondContact O-N 3.38Å |
| 384 | I | 92.1 | Very high | 91.1 | Very high | 93 Ų | 93 | 70.1 Ų | 70.1 | 48% | 0.477 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 178.5 | -68.2 | 162.2 | 0 | 0 | 0 | 111.6 | S380 H386 S387 | S380-I384 VanDerWaalsContact O-CG1 3.3Å; S380-I384 WeakPolarHBondContact O-CG1 3.12Å; S380-I384 PolarHBondContact O-N 3.35Å; I384-H386 VanDerWaalsContact C-N 3.35Å; I384-S387 PolarHBondContact O-OG 3.34Å |
| 385 | T | 91.1 | Very high | 91.1 | Very high | 40 Ų | 40 | 70.2 Ų | 70.2 | 25% | 0.245 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -73.2 | -30.3 | 176.6 | 48 | 0 | 0 | 0 | 0 | 112.1 | S381 N382 R407 | S381-T385 WeakPolarHBondContact O-CG2 3.35Å; S381-T385 PolarHBondContact O-N 3.4Å; S381-T385 PolarHBondContact O-OG1 3.26Å; N382-T385 WeakPolarHBondContact CA-OG1 3.47Å; N382-T385 PolarHBondContact O-OG1 2.36Å; T385-R407 HydrophobicContact CG2-CG 4.45Å |
| 386 | H | 92.8 | Very high | 91 | Very high | 23 Ų | 23 | 67 Ų | 67 | 11% | 0.106 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.3 | -42 | 171.7 | 170.9 | 71.8 | 0 | 0 | 0 | 112.6 | C373 F377 N382 L383 I384 R388 K389 | C373-H386 PolarHBondContact SG-NE2 2.55Å; F377-H386 HydrophobicContact CE1-CB 4.2Å; F377-H386 HydrophobicContact CE2-CB 3.89Å; F377-H386 AromaticContact CE2-CD2 3.47Å; F377-H386 VanDerWaalsContact CE2-CD2 3.47Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.26Å; F377-H386 AromaticContact CE2-CG 3.64Å; F377-H386 HydrophobicContact CZ-CB 3.56Å; F377-H386 AromaticContact CZ-CD2 3.62Å; F377-H386 AromaticContact CZ-CG 3.32Å; F377-H386 AromaticContact CZ-ND1 3.71Å; N382-H386 WeakPolarHBondContact O-CB 3.3Å; N382-H386 PolarHBondContact O-N 2.88Å; L383-H386 PolarHBondContact O-N 3.18Å; I384-H386 VanDerWaalsContact C-N 3.35Å; H386-R388 PolarHBondContact O-N 3.15Å; H386-K389 VanDerWaalsContact O-CB 3.24Å; H386-K389 WeakPolarHBondContact O-CB 3.36Å; H386-K389 WeakPolarHBondContact O-CG 3.47Å; H386-K389 PolarHBondContact O-N 3.08Å |
| 387 | S | 91.5 | Very high | 90.9 | Very high | 45 Ų | 45 | 67 Ų | 67 | 32% | 0.315 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.7 | -25.8 | -178.7 | 68.2 | 0 | 0 | 0 | 0 | 113.5 | L383 I384 K389 H390 T391 | L383-S387 PolarHBondContact O-N 3.38Å; I384-S387 PolarHBondContact O-OG 3.34Å; S387-K389 PolarHBondContact O-N 3.47Å; S387-K389 VanDerWaalsContact O-N 3.16Å; S387-H390 PolarHBondContact O-N 2.86Å; S387-T391 PolarHBondContact O-N 3.31Å; S387-T391 PolarHBondContact O-OG1 3.47Å |
| 388 | R | 92.2 | Very high | 91 | Very high | 53 Ų | 53 | 65 Ų | 65 | 20% | 0.2 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -17.7 | 170.2 | -65.4 | 175.4 | -167.7 | 176.7 | -0.9 | 114.3 | H386 G392 F393 Q406 | H386-R388 PolarHBondContact O-N 3.15Å; R388-G392 CarbonylContact O-C 3.57Å; R388-G392 WeakPolarHBondContact O-CA 3.1Å; R388-G392 PolarHBondContact O-N 3.01Å; R388-F393 HydrophobicContact CG-CD1 4.39Å; R388-F393 PolarHBondContact O-N 2.83Å; R388-Q406 HydrophobicContact CB-CB 4.45Å; R388-Q406 HydrophobicContact CB-CG 4.2Å; R388-Q406 PolarHBondContact NH1-O 3.45Å; R388-Q406 PolarHBondContact O-NE2 3.22Å |
| 389 | K | 89 | Confident | 91 | Very high | 138 Ų | 138 | 69.5 Ų | 69.5 | 60% | 0.6 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72.4 | -39 | 172.2 | -64 | -171.3 | 173.3 | -160.7 | 0 | 111.8 | H386 S387 | H386-K389 VanDerWaalsContact O-CB 3.24Å; H386-K389 WeakPolarHBondContact O-CB 3.36Å; H386-K389 WeakPolarHBondContact O-CG 3.47Å; H386-K389 PolarHBondContact O-N 3.08Å; S387-K389 PolarHBondContact O-N 3.47Å; S387-K389 VanDerWaalsContact O-N 3.16Å |
| 390 | H | 89.4 | Confident | 90.9 | Very high | 100 Ų | 100 | 71.3 Ų | 71.3 | 46% | 0.463 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -73.9 | -37.9 | 178.6 | -58.9 | -57.4 | 0 | 0 | 0 | 112.2 | V372 C373 S387 | V372-H390 HydrophobicContact CG1-CB 4.24Å; C373-H390 WeakPolarHBondContact CB-NE2 3.25Å; C373-H390 PolarHBondContact SG-NE2 2.77Å; S387-H390 PolarHBondContact O-N 2.86Å |
| 391 | T | 87.9 | Confident | 90.9 | Very high | 103 Ų | 103 | 70.8 Ų | 70.8 | 63% | 0.632 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -87.4 | -2.5 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | S387 F393 | S387-T391 PolarHBondContact O-N 3.31Å; S387-T391 PolarHBondContact O-OG1 3.47Å; T391-F393 PolarHBondContact O-N 3.22Å; T391-F393 WeakPolarHBondContact OG1-CB 3.24Å |
| 392 | G | 86.5 | Confident | 90.7 | Very high | 41 Ų | 41 | 71.2 Ų | 71.2 | 42% | 0.423 | 40% | 0.398 | S | S | . | . | trans | 63.1 | 0.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R388 K394 | R388-G392 CarbonylContact O-C 3.57Å; R388-G392 WeakPolarHBondContact O-CA 3.1Å; R388-G392 PolarHBondContact O-N 3.01Å; G392-K394 WeakPolarHBondContact O-CG 3.49Å; G392-K394 PolarHBondContact O-N 3.1Å | ||
| 393 | F | 89.6 | Confident | 90.6 | Very high | 122 Ų | 122 | 73.8 Ų | 73.8 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | trans | -66.8 | 116.8 | -166.8 | -175.9 | -113.3 | 0 | 0 | 0 | 112.9 | R388 T391 P395 | R388-F393 HydrophobicContact CG-CD1 4.39Å; R388-F393 PolarHBondContact O-N 2.83Å; T391-F393 PolarHBondContact O-N 3.22Å; T391-F393 WeakPolarHBondContact OG1-CB 3.24Å; F393-P395 HydrophobicContact CD1-CB 4.38Å; F393-P395 HydrophobicContact CD1-CG 4.15Å; F393-P395 HydrophobicContact CE1-CB 3.65Å; F393-P395 HydrophobicContact CE1-CG 3.84Å; F393-P395 HydrophobicContact CZ-CB 3.93Å; F393-P395 VanDerWaalsContact O-CD 3.25Å; F393-P395 WeakPolarHBondContact O-CD 3.44Å | ||
| 394 | K | 90.5 | Very high | 90.5 | Very high | 125 Ų | 125 | 73.3 Ų | 73.3 | 54% | 0.543 | 41% | 0.411 | S | S | . | . | trans | -116.1 | 81.3 | -175.2 | -75.2 | 158.4 | 172.8 | -179.2 | 0 | 110.8 | G392 F396 G404 F405 Q406 | G392-K394 WeakPolarHBondContact O-CG 3.49Å; G392-K394 PolarHBondContact O-N 3.1Å; K394-F396 PolarHBondContact O-N 3.33Å; K394-F396 VanDerWaalsContact O-N 3.16Å; K394-G404 VanDerWaalsContact CD-O 3.31Å; K394-G404 WeakPolarHBondContact CD-O 3.49Å; K394-F405 CarbonylContact C-O 3.39Å; K394-F405 WeakPolarHBondContact CA-O 3.25Å; K394-Q406 HydrophobicContact CG-CG 4.2Å | ||
| 395 | P | 89.5 | Confident | 90.4 | Very high | 54 Ų | 54 | 71 Ų | 71 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | trans | -72.7 | -2.6 | -174.8 | 27.4 | -33.9 | 0 | 0 | 0 | 115.2 | F393 | F393-P395 HydrophobicContact CD1-CB 4.38Å; F393-P395 HydrophobicContact CD1-CG 4.15Å; F393-P395 HydrophobicContact CE1-CB 3.65Å; F393-P395 HydrophobicContact CE1-CG 3.84Å; F393-P395 HydrophobicContact CZ-CB 3.93Å; F393-P395 VanDerWaalsContact O-CD 3.25Å; F393-P395 WeakPolarHBondContact O-CD 3.44Å | ||
| 396 | F | 91.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 71.2 Ų | 71.2 | 28% | 0.276 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 101.3 | -174.8 | -57.4 | -66.3 | 0 | 0 | 0 | 110.8 | K394 F405 R407 K408 L411 | K394-F396 PolarHBondContact O-N 3.33Å; K394-F396 VanDerWaalsContact O-N 3.16Å; F396-F405 HydrophobicContact CB-CB 4.42Å; F396-F405 PolarHBondContact N-O 2.96Å; F396-F405 PolarHBondContact O-N 2.85Å; F396-R407 VanDerWaalsContact CD2-C 3.45Å; F396-K408 HydrophobicContact CD1-CB 4.39Å; F396-K408 HydrophobicContact CE1-CB 4.2Å; F396-K408 HydrophobicContact CE2-CB 4.37Å; F396-K408 HydrophobicContact CZ-CB 4.19Å; F396-L411 HydrophobicContact CB-CB 4.25Å; F396-L411 HydrophobicContact CB-CD2 3.83Å |
| 397 | G | 91.2 | Very high | 90.2 | Very high | 34 Ų | 34 | 75.4 Ų | 75.4 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 151.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K403 L411 R415 | G397-K403 CarbonylContact C-O 3.51Å; G397-L411 VanDerWaalsContact O-CD1 3.26Å; G397-L411 WeakPolarHBondContact O-CD1 3.49Å; G397-L411 VanDerWaalsContact O-CD2 3.22Å; G397-L411 WeakPolarHBondContact O-CD2 3.42Å; G397-R415 PolarHBondContact O-NH2 3.24Å |
| 398 | C | 93.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 80.5 Ų | 80.5 | 3% | 0.027 | 43% | 0.427 | C | S | . | . | trans | -84.8 | 120 | 160.6 | -167.3 | 0 | 0 | 0 | 0 | 109.6 | L400 C401 G402 K403 F405 L411 H414 H419 | C398-L400 PolarHBondContact O-N 3.2Å; C398-C401 PolarHBondContact O-N 3.07Å; C398-G402 VanDerWaalsContact O-CA 3.31Å; C398-G402 WeakPolarHBondContact O-CA 3.46Å; C398-G402 PolarHBondContact O-N 2.82Å; C398-K403 PolarHBondContact N-O 3.36Å; C398-F405 HydrophobicContact CB-CE2 4.37Å; C398-L411 HydrophobicContact CB-CD1 3.83Å; C398-H414 PolarHBondContact SG-NE2 2.81Å; C398-H419 VanDerWaalsContact SG-CD2 3.59Å | ||
| 399 | D | 90.6 | Very high | 90.2 | Very high | 129 Ų | 129 | 81.7 Ų | 81.7 | 69% | 0.69 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -17.9 | -176.2 | -45.3 | -37.5 | 0 | 0 | 0 | 112 | R415 | D399-R415 IonicContact OD1-NH2 3.22Å; D399-R415 PolarHBondContact OD1-NH2 3.02Å; D399-R415 IonicContact OD2-CZ 3.16Å; D399-R415 IonicContact OD2-NH1 2.74Å; D399-R415 PolarHBondContact OD2-NH1 3.46Å; D399-R415 IonicContact OD2-NH2 2.72Å; D399-R415 PolarHBondContact OD2-NH2 2.71Å |
| 400 | L | 89.4 | Confident | 90.4 | Very high | 108 Ų | 108 | 76.4 Ų | 76.4 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -30.7 | -179 | -63.7 | -179.8 | 0 | 0 | 0 | 114.4 | C398 H419 L421 | C398-L400 PolarHBondContact O-N 3.2Å; L400-H419 HydrophobicContact CD1-CB 3.54Å; L400-H419 VanDerWaalsContact CD1-CG 3.47Å; L400-L421 HydrophobicContact CD1-CD1 3.62Å; L400-L421 HydrophobicContact CD1-CG 4.47Å |
| 401 | C | 92.4 | Very high | 90.6 | Very high | 52 Ų | 52 | 72.3 Ų | 72.3 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | 10.1 | -174.3 | 70.9 | 0 | 0 | 0 | 0 | 114.6 | C398 K403 H414 H419 | C398-C401 PolarHBondContact O-N 3.07Å; C401-K403 PolarHBondContact O-N 3.34Å; C401-H414 PolarHBondContact SG-NE2 2.95Å; C401-H419 PolarHBondContact SG-NE2 2.81Å; C401-H419 VanDerWaalsContact SG-NE2 3.42Å |
| 402 | G | 87.2 | Confident | 90.8 | Very high | 64 Ų | 64 | 74 Ų | 74 | 66% | 0.66 | 40% | 0.395 | S | S | * | . | trans | 68.8 | -10.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | C398 G404 | C398-G402 VanDerWaalsContact O-CA 3.31Å; C398-G402 WeakPolarHBondContact O-CA 3.46Å; C398-G402 PolarHBondContact O-N 2.82Å; G402-G404 PolarHBondContact O-N 2.92Å | ||
| 403 | K | 90.7 | Very high | 91.1 | Very high | 120 Ų | 120 | 78.7 Ų | 78.7 | 52% | 0.522 | 40% | 0.4 | S | S | . | . | trans | -59.4 | 125.8 | -175.8 | -70.9 | -179.6 | -179.7 | 176.2 | 0 | 111.5 | G397 C398 C401 F405 | G397-K403 CarbonylContact C-O 3.51Å; C398-K403 PolarHBondContact N-O 3.36Å; C401-K403 PolarHBondContact O-N 3.34Å; K403-F405 HydrophobicContact CB-CE2 3.83Å; K403-F405 HydrophobicContact CB-CZ 4.03Å; K403-F405 VanDerWaalsContact O-CD2 3.28Å; K403-F405 WeakPolarHBondContact O-CD2 3.44Å; K403-F405 WeakPolarHBondContact O-CE2 3.29Å | ||
| 404 | G | 91.4 | Very high | 91.3 | Very high | 29 Ų | 29 | 73.7 Ų | 73.7 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 136.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | K394 G402 | K394-G404 VanDerWaalsContact CD-O 3.31Å; K394-G404 WeakPolarHBondContact CD-O 3.49Å; G402-G404 PolarHBondContact O-N 2.92Å |
| 405 | F | 90.4 | Very high | 91.3 | Very high | 43 Ų | 43 | 70.4 Ų | 70.4 | 19% | 0.189 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.7 | -175.9 | -60.4 | -89.2 | 0 | 0 | 0 | 112.7 | K394 F396 C398 K403 D410 L411 H414 | K394-F405 CarbonylContact C-O 3.39Å; K394-F405 WeakPolarHBondContact CA-O 3.25Å; F396-F405 HydrophobicContact CB-CB 4.42Å; F396-F405 PolarHBondContact N-O 2.96Å; F396-F405 PolarHBondContact O-N 2.85Å; C398-F405 HydrophobicContact CB-CE2 4.37Å; K403-F405 HydrophobicContact CB-CE2 3.83Å; K403-F405 HydrophobicContact CB-CZ 4.03Å; K403-F405 VanDerWaalsContact O-CD2 3.28Å; K403-F405 WeakPolarHBondContact O-CD2 3.44Å; K403-F405 WeakPolarHBondContact O-CE2 3.29Å; F405-D410 HydrophobicContact CB-CB 4.29Å; F405-D410 HydrophobicContact CD1-CB 3.82Å; F405-D410 HydrophobicContact CG-CB 4.37Å; F405-L411 HydrophobicContact CB-CB 4.21Å; F405-L411 HydrophobicContact CD2-CB 3.98Å; F405-L411 HydrophobicContact CD2-CD1 3.74Å; F405-L411 HydrophobicContact CD2-CG 4.48Å; F405-L411 HydrophobicContact CE2-CD1 3.98Å; F405-L411 HydrophobicContact CG-CB 4.19Å; F405-H414 HydrophobicContact CE1-CB 3.92Å; F405-H414 HydrophobicContact CE2-CB 4.07Å; F405-H414 AromaticContact CE2-CD2 3.39Å; F405-H414 WeakPolarHBondContact CE2-CD2 3.46Å; F405-H414 AromaticContact CE2-CG 3.73Å; F405-H414 HydrophobicContact CZ-CB 3.5Å; F405-H414 AromaticContact CZ-CD2 3.4Å; F405-H414 VanDerWaalsContact CZ-CD2 3.4Å; F405-H414 WeakPolarHBondContact CZ-CD2 3.44Å; F405-H414 AromaticContact CZ-CG 3.24Å; F405-H414 AromaticContact CZ-ND1 3.78Å; F405-H414 AromaticContact CZ-NE2 3.99Å |
| 406 | Q | 89.5 | Confident | 91.5 | Very high | 46 Ų | 46 | 70.9 Ų | 70.9 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -82 | -24.5 | -180 | -69.5 | 171.8 | -7.4 | 0 | 0 | 113.6 | R388 K394 | R388-Q406 HydrophobicContact CB-CB 4.45Å; R388-Q406 HydrophobicContact CB-CG 4.2Å; R388-Q406 PolarHBondContact NH1-O 3.45Å; R388-Q406 PolarHBondContact O-NE2 3.22Å; K394-Q406 HydrophobicContact CG-CG 4.2Å |
| 407 | R | 91.1 | Very high | 91.5 | Very high | 111 Ų | 111 | 72.3 Ų | 72.3 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -132.5 | 144.6 | -179.7 | -47.9 | -179.2 | -62.8 | 164.7 | 4.5 | 110.9 | T385 F396 V409 D410 L411 | T385-R407 HydrophobicContact CG2-CG 4.45Å; F396-R407 VanDerWaalsContact CD2-C 3.45Å; R407-V409 VanDerWaalsContact C-N 3.25Å; R407-V409 HydrophobicContact CB-CG2 3.98Å; R407-V409 PolarHBondContact O-N 3.23Å; R407-D410 WeakPolarHBondContact CB-OD2 3.35Å; R407-D410 IonicContact CZ-OD1 3.86Å; R407-D410 IonicContact CZ-OD2 2.72Å; R407-D410 IonicContact NE-OD1 3.84Å; R407-D410 IonicContact NE-OD2 2.76Å; R407-D410 PolarHBondContact NE-OD2 2.84Å; R407-D410 VanDerWaalsContact NH2-CG 3.32Å; R407-D410 IonicContact NH2-OD1 3.72Å; R407-D410 PolarHBondContact NH2-OD1 2.93Å; R407-D410 IonicContact NH2-OD2 3.35Å; R407-D410 PolarHBondContact NH2-OD2 2.9Å; R407-D410 VanDerWaalsContact NH2-OD2 3.13Å; R407-D410 PolarHBondContact O-N 2.81Å; R407-D410 VanDerWaalsContact O-N 3.11Å; R407-L411 PolarHBondContact O-N 3.13Å |
| 408 | K | 91.6 | Very high | 91.4 | Very high | 152 Ų | 152 | 76.5 Ų | 76.5 | 66% | 0.661 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.2 | -32.1 | 177.8 | -171.3 | 175.9 | -178.9 | 179.4 | 0 | 113.2 | F396 D410 L411 R412 | F396-K408 HydrophobicContact CD1-CB 4.39Å; F396-K408 HydrophobicContact CE1-CB 4.2Å; F396-K408 HydrophobicContact CE2-CB 4.37Å; F396-K408 HydrophobicContact CZ-CB 4.19Å; K408-D410 VanDerWaalsContact C-N 3.34Å; K408-D410 PolarHBondContact O-N 3.12Å; K408-L411 PolarHBondContact O-N 3.33Å; K408-R412 PolarHBondContact O-N 3.16Å |
| 409 | V | 91.6 | Very high | 91.2 | Very high | 77 Ų | 77 | 79.3 Ų | 79.3 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.1 | -32 | 176.7 | -64.8 | 0 | 0 | 0 | 0 | 113.1 | R407 R413 | R407-V409 VanDerWaalsContact C-N 3.25Å; R407-V409 HydrophobicContact CB-CG2 3.98Å; R407-V409 PolarHBondContact O-N 3.23Å; V409-R413 VanDerWaalsContact O-CB 3.31Å; V409-R413 WeakPolarHBondContact O-CB 3.48Å; V409-R413 PolarHBondContact O-N 2.96Å |
| 410 | D | 92.3 | Very high | 90.8 | Very high | 27 Ų | 27 | 76 Ų | 76 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -73.5 | -40.8 | 176.3 | -61.5 | -49.4 | 0 | 0 | 0 | 110.6 | F405 R407 K408 R413 H414 | F405-D410 HydrophobicContact CB-CB 4.29Å; F405-D410 HydrophobicContact CD1-CB 3.82Å; F405-D410 HydrophobicContact CG-CB 4.37Å; R407-D410 WeakPolarHBondContact CB-OD2 3.35Å; R407-D410 IonicContact CZ-OD1 3.86Å; R407-D410 IonicContact CZ-OD2 2.72Å; R407-D410 IonicContact NE-OD1 3.84Å; R407-D410 IonicContact NE-OD2 2.76Å; R407-D410 PolarHBondContact NE-OD2 2.84Å; R407-D410 VanDerWaalsContact NH2-CG 3.32Å; R407-D410 IonicContact NH2-OD1 3.72Å; R407-D410 PolarHBondContact NH2-OD1 2.93Å; R407-D410 IonicContact NH2-OD2 3.35Å; R407-D410 PolarHBondContact NH2-OD2 2.9Å; R407-D410 VanDerWaalsContact NH2-OD2 3.13Å; R407-D410 PolarHBondContact O-N 2.81Å; R407-D410 VanDerWaalsContact O-N 3.11Å; K408-D410 VanDerWaalsContact C-N 3.34Å; K408-D410 PolarHBondContact O-N 3.12Å; D410-R413 IonicContact OD1-CZ 3.53Å; D410-R413 IonicContact OD1-NH2 2.79Å; D410-R413 PolarHBondContact OD1-NH2 3.34Å; D410-H414 VanDerWaalsContact O-CB 3.23Å; D410-H414 WeakPolarHBondContact O-CB 3.37Å; D410-H414 PolarHBondContact O-N 2.85Å |
| 411 | L | 93.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 75 Ų | 75 | 7% | 0.073 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 171.4 | 173.6 | 62.2 | 0 | 0 | 0 | 111.9 | F396 G397 C398 F405 R407 K408 H414 R415 | F396-L411 HydrophobicContact CB-CB 4.25Å; F396-L411 HydrophobicContact CB-CD2 3.83Å; G397-L411 VanDerWaalsContact O-CD1 3.26Å; G397-L411 WeakPolarHBondContact O-CD1 3.49Å; G397-L411 VanDerWaalsContact O-CD2 3.22Å; G397-L411 WeakPolarHBondContact O-CD2 3.42Å; C398-L411 HydrophobicContact CB-CD1 3.83Å; F405-L411 HydrophobicContact CB-CB 4.21Å; F405-L411 HydrophobicContact CD2-CB 3.98Å; F405-L411 HydrophobicContact CD2-CD1 3.74Å; F405-L411 HydrophobicContact CD2-CG 4.48Å; F405-L411 HydrophobicContact CE2-CD1 3.98Å; F405-L411 HydrophobicContact CG-CB 4.19Å; R407-L411 PolarHBondContact O-N 3.13Å; K408-L411 PolarHBondContact O-N 3.33Å; L411-H414 WeakPolarHBondContact O-CB 3.2Å; L411-H414 PolarHBondContact O-N 2.99Å; L411-R415 HydrophobicContact CD1-CG 4.21Å; L411-R415 WeakPolarHBondContact O-CG 3.34Å; L411-R415 PolarHBondContact O-N 3.07Å |
| 412 | R | 92.9 | Very high | 88.3 | Confident | 140 Ų | 140 | 84.2 Ų | 84.2 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62 | -51.4 | -179.7 | -164.8 | -168 | 67.6 | -166.2 | -3.9 | 110.7 | K408 H414 R415 E416 | K408-R412 PolarHBondContact O-N 3.16Å; R412-H414 PolarHBondContact O-N 3.27Å; R412-R415 PolarHBondContact O-N 3.04Å; R412-E416 VanDerWaalsContact CD-OE1 3.24Å; R412-E416 WeakPolarHBondContact CD-OE1 3.35Å; R412-E416 HydrophobicContact CG-CG 4.43Å; R412-E416 VanDerWaalsContact CG-OE1 3.31Å; R412-E416 WeakPolarHBondContact CG-OE1 3.43Å; R412-E416 IonicContact CZ-OE1 3.8Å; R412-E416 IonicContact NE-OE1 2.75Å; R412-E416 PolarHBondContact NE-OE1 2.87Å; R412-E416 IonicContact NH2-OE1 2.72Å; R412-E416 VanDerWaalsContact O-CG 3.32Å; R412-E416 WeakPolarHBondContact O-CG 3.42Å; R412-E416 PolarHBondContact O-N 2.79Å |
| 413 | R | 93.4 | Very high | 88.4 | Confident | 139 Ų | 139 | 85.2 Ų | 85.2 | 53% | 0.525 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -54.5 | -40.8 | 174.3 | 175.3 | 172 | 54.8 | 158.7 | -2.4 | 112.6 | V409 D410 E416 T417 | V409-R413 VanDerWaalsContact O-CB 3.31Å; V409-R413 WeakPolarHBondContact O-CB 3.48Å; V409-R413 PolarHBondContact O-N 2.96Å; D410-R413 IonicContact OD1-CZ 3.53Å; D410-R413 IonicContact OD1-NH2 2.79Å; D410-R413 PolarHBondContact OD1-NH2 3.34Å; R413-E416 WeakPolarHBondContact CA-OE2 3.42Å; R413-E416 PolarHBondContact O-N 2.79Å; R413-T417 HydrophobicContact CG-CG2 4.41Å; R413-T417 WeakPolarHBondContact O-CB 3.38Å; R413-T417 WeakPolarHBondContact O-CG2 3.4Å; R413-T417 PolarHBondContact O-N 3.46Å; R413-T417 PolarHBondContact O-OG1 3.12Å |
| 414 | H | 92.6 | Very high | 88.3 | Confident | 17 Ų | 17 | 83.4 Ų | 83.4 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 175.6 | 165.6 | 68.4 | 0 | 0 | 0 | 112.7 | C398 C401 F405 D410 L411 R412 T417 Q418 H419 | C398-H414 PolarHBondContact SG-NE2 2.81Å; C401-H414 PolarHBondContact SG-NE2 2.95Å; F405-H414 HydrophobicContact CE1-CB 3.92Å; F405-H414 HydrophobicContact CE2-CB 4.07Å; F405-H414 AromaticContact CE2-CD2 3.39Å; F405-H414 WeakPolarHBondContact CE2-CD2 3.46Å; F405-H414 AromaticContact CE2-CG 3.73Å; F405-H414 HydrophobicContact CZ-CB 3.5Å; F405-H414 AromaticContact CZ-CD2 3.4Å; F405-H414 VanDerWaalsContact CZ-CD2 3.4Å; F405-H414 WeakPolarHBondContact CZ-CD2 3.44Å; F405-H414 AromaticContact CZ-CG 3.24Å; F405-H414 AromaticContact CZ-ND1 3.78Å; F405-H414 AromaticContact CZ-NE2 3.99Å; D410-H414 VanDerWaalsContact O-CB 3.23Å; D410-H414 WeakPolarHBondContact O-CB 3.37Å; D410-H414 PolarHBondContact O-N 2.85Å; L411-H414 WeakPolarHBondContact O-CB 3.2Å; L411-H414 PolarHBondContact O-N 2.99Å; R412-H414 PolarHBondContact O-N 3.27Å; H414-T417 PolarHBondContact O-N 2.88Å; H414-Q418 WeakPolarHBondContact ND1-CG 3.08Å; H414-Q418 VanDerWaalsContact O-CB 3.24Å; H414-Q418 WeakPolarHBondContact O-CB 3.43Å; H414-Q418 WeakPolarHBondContact O-CG 3.38Å; H414-Q418 PolarHBondContact O-N 3.31Å; H414-H419 AromaticContact CE1-NE2 3.97Å; H414-H419 AromaticContact NE2-NE2 3.6Å |
| 415 | R | 92.1 | Very high | 88.1 | Confident | 55 Ų | 55 | 86.4 Ų | 86.4 | 21% | 0.208 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 174.3 | -69.5 | -179.6 | -169.4 | -143.1 | -0.6 | 111.6 | G397 D399 L411 R412 H419 G420 L421 | G397-R415 PolarHBondContact O-NH2 3.24Å; D399-R415 IonicContact OD1-NH2 3.22Å; D399-R415 PolarHBondContact OD1-NH2 3.02Å; D399-R415 IonicContact OD2-CZ 3.16Å; D399-R415 IonicContact OD2-NH1 2.74Å; D399-R415 PolarHBondContact OD2-NH1 3.46Å; D399-R415 IonicContact OD2-NH2 2.72Å; D399-R415 PolarHBondContact OD2-NH2 2.71Å; L411-R415 HydrophobicContact CD1-CG 4.21Å; L411-R415 WeakPolarHBondContact O-CG 3.34Å; L411-R415 PolarHBondContact O-N 3.07Å; R412-R415 PolarHBondContact O-N 3.04Å; R415-H419 CarbonylContact O-C 3.58Å; R415-H419 WeakPolarHBondContact O-CA 3.34Å; R415-H419 WeakPolarHBondContact O-CB 3.41Å; R415-H419 PolarHBondContact O-N 3.2Å; R415-G420 PolarHBondContact O-N 3.17Å; R415-G420 VanDerWaalsContact O-N 3.12Å; R415-L421 CarbonylContact C-O 3.43Å; R415-L421 HydrophobicContact CB-CB 4.31Å; R415-L421 PolarHBondContact O-N 2.8Å |
| 416 | E | 92.4 | Very high | 88 | Confident | 65 Ų | 65 | 88.9 Ų | 88.9 | 30% | 0.304 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 175.4 | -69.2 | 161.5 | -177.6 | 0 | 0 | 111.4 | R412 R413 G420 L421 | R412-E416 VanDerWaalsContact CD-OE1 3.24Å; R412-E416 WeakPolarHBondContact CD-OE1 3.35Å; R412-E416 HydrophobicContact CG-CG 4.43Å; R412-E416 VanDerWaalsContact CG-OE1 3.31Å; R412-E416 WeakPolarHBondContact CG-OE1 3.43Å; R412-E416 IonicContact CZ-OE1 3.8Å; R412-E416 IonicContact NE-OE1 2.75Å; R412-E416 PolarHBondContact NE-OE1 2.87Å; R412-E416 IonicContact NH2-OE1 2.72Å; R412-E416 VanDerWaalsContact O-CG 3.32Å; R412-E416 WeakPolarHBondContact O-CG 3.42Å; R412-E416 PolarHBondContact O-N 2.79Å; R413-E416 WeakPolarHBondContact CA-OE2 3.42Å; R413-E416 PolarHBondContact O-N 2.79Å; E416-G420 WeakPolarHBondContact O-CA 3.18Å; E416-G420 PolarHBondContact O-N 2.95Å; E416-L421 VanDerWaalsContact CA-O 3.26Å; E416-L421 WeakPolarHBondContact CA-O 3.19Å; E416-L421 WeakPolarHBondContact CG-O 3.29Å; E416-L421 PolarHBondContact N-O 2.87Å |
| 417 | T | 92.6 | Very high | 87.9 | Confident | 93 Ų | 93 | 91.6 Ų | 91.6 | 57% | 0.571 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -90.8 | -19 | -172 | 62.8 | 0 | 0 | 0 | 0 | 116 | R413 H414 | R413-T417 HydrophobicContact CG-CG2 4.41Å; R413-T417 WeakPolarHBondContact O-CB 3.38Å; R413-T417 WeakPolarHBondContact O-CG2 3.4Å; R413-T417 PolarHBondContact O-N 3.46Å; R413-T417 PolarHBondContact O-OG1 3.12Å; H414-T417 PolarHBondContact O-N 2.88Å |
| 418 | Q | 87.8 | Confident | 87.7 | Confident | 121 Ų | 121 | 90.3 Ų | 90.3 | 57% | 0.565 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -113.3 | -17 | -177.5 | -57.1 | -70.8 | -94 | 0 | 0 | 113.2 | H414 | H414-Q418 WeakPolarHBondContact ND1-CG 3.08Å; H414-Q418 VanDerWaalsContact O-CB 3.24Å; H414-Q418 WeakPolarHBondContact O-CB 3.43Å; H414-Q418 WeakPolarHBondContact O-CG 3.38Å; H414-Q418 PolarHBondContact O-N 3.31Å |
| 419 | H | 89.1 | Confident | 87.4 | Confident | 64 Ų | 64 | 85.9 Ų | 85.9 | 30% | 0.296 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -131.7 | 1.3 | -177.6 | -55.1 | -53.6 | 0 | 0 | 0 | 113 | C398 L400 C401 H414 R415 L421 | C398-H419 VanDerWaalsContact SG-CD2 3.59Å; L400-H419 HydrophobicContact CD1-CB 3.54Å; L400-H419 VanDerWaalsContact CD1-CG 3.47Å; C401-H419 PolarHBondContact SG-NE2 2.81Å; C401-H419 VanDerWaalsContact SG-NE2 3.42Å; H414-H419 AromaticContact CE1-NE2 3.97Å; H414-H419 AromaticContact NE2-NE2 3.6Å; R415-H419 CarbonylContact O-C 3.58Å; R415-H419 WeakPolarHBondContact O-CA 3.34Å; R415-H419 WeakPolarHBondContact O-CB 3.41Å; R415-H419 PolarHBondContact O-N 3.2Å; H419-L421 HydrophobicContact CB-CG 4.27Å; H419-L421 PolarHBondContact O-N 2.95Å |
| 420 | G | 82.4 | Confident | 87.1 | Confident | 59 Ų | 59 | 86.6 Ų | 86.6 | 61% | 0.608 | 42% | 0.417 | S | S | * | . | trans | 66.8 | 3.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R415 E416 K422 | R415-G420 PolarHBondContact O-N 3.17Å; R415-G420 VanDerWaalsContact O-N 3.12Å; E416-G420 WeakPolarHBondContact O-CA 3.18Å; E416-G420 PolarHBondContact O-N 2.95Å; G420-K422 PolarHBondContact O-N 3.28Å | ||
| 421 | L | 70.6 | Confident | 86.6 | Confident | 88 Ų | 88 | 91.6 Ų | 91.6 | 46% | 0.461 | 44% | 0.44 | S | S | . | . | trans | -81.6 | 117.6 | -175.7 | -65.8 | -177.7 | 0 | 0 | 0 | 110.7 | L400 R415 E416 H419 | L400-L421 HydrophobicContact CD1-CD1 3.62Å; L400-L421 HydrophobicContact CD1-CG 4.47Å; R415-L421 CarbonylContact C-O 3.43Å; R415-L421 HydrophobicContact CB-CB 4.31Å; R415-L421 PolarHBondContact O-N 2.8Å; E416-L421 VanDerWaalsContact CA-O 3.26Å; E416-L421 WeakPolarHBondContact CA-O 3.19Å; E416-L421 WeakPolarHBondContact CG-O 3.29Å; E416-L421 PolarHBondContact N-O 2.87Å; H419-L421 HydrophobicContact CB-CG 4.27Å; H419-L421 PolarHBondContact O-N 2.95Å | ||
| 422 | K | 60.2 | Low | 86 | Confident | 244 Ų | 244 | 98.6 Ų | 98.6 | 100% | 1.061 | 47% | 0.473 | S | S | * | . | trans | -90 | 0 | 174.5 | -68.4 | -180 | 178.5 | 173.5 | 0 | 111.7 | G420 | G420-K422 PolarHBondContact O-N 3.28Š|
Retrieved 422 of 422 residues in 395.9 ms
(Link to these results)