| 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 | 37.9 | Very low | 34.7 | Very low | 236 Ų | 236 | 157.6 Ų | 157.6 | 100% | 1.163 | 88% | 0.879 | S | S | * | * | 0 | 127.1 | 0 | -132.2 | 175.5 | -175.3 | 0 | 0 | 106 | |||||
| 2 | W | 35.7 | Very low | 34.6 | Very low | 259 Ų | 259 | 152.8 Ų | 152.8 | 98% | 0.981 | 88% | 0.875 | S | S | * | * | trans | 130.9 | 92.8 | 168 | -73.2 | 42.1 | 0 | 0 | 0 | 108.9 | ||||
| 3 | D | 35.3 | Very low | 34.2 | Very low | 173 Ų | 173 | 153.9 Ų | 153.9 | 93% | 0.925 | 88% | 0.875 | S | S | * | * | trans | -72.2 | 151.8 | 172.4 | -78.1 | -45.8 | 0 | 0 | 0 | 111.5 | ||||
| 4 | G | 34.7 | Very low | 34 | Very low | 73 Ų | 73 | 154.4 Ų | 154.4 | 75% | 0.753 | 87% | 0.871 | S | S | * | * | 111.9 | 102.3 | 123.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 5 | N | 31.8 | Very low | 33.7 | Very low | 147 Ų | 147 | 156.3 Ų | 156.3 | 79% | 0.786 | 87% | 0.87 | S | S | * | * | 111.1 | 92.5 | 125.8 | -147.3 | 47 | 0 | 0 | 0 | 118.9 | |||||
| 6 | D | 35.3 | Very low | 33.5 | Very low | 148 Ų | 148 | 157 Ų | 157 | 79% | 0.791 | 87% | 0.867 | S | S | * | * | 41.8 | 101.5 | 125.5 | -67.3 | -5.6 | 0 | 0 | 0 | 121.3 | |||||
| 7 | G | 39.2 | Very low | 33.4 | Very low | 72 Ų | 72 | 154.4 Ų | 154.4 | 74% | 0.742 | 86% | 0.863 | S | S | * | * | 47.5 | 108.4 | 112.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 8 | K | 32.9 | Very low | 33.3 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 92% | 0.917 | 86% | 0.855 | S | S | * | * | trans | -166.6 | 130.9 | 134.4 | -106 | 160.8 | -171.9 | 178.1 | 0 | 112 | ||||
| 9 | M | 32.3 | Very low | 33.3 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 96% | 0.961 | 86% | 0.86 | S | S | * | * | trans | -62 | 136.5 | 175.1 | -61.3 | -171.7 | -147.8 | 0 | 0 | 111.5 | ||||
| 10 | S | 32 | Very low | 33.1 | Very low | 130 Ų | 130 | 156.3 Ų | 156.3 | 91% | 0.909 | 86% | 0.859 | S | S | * | * | trans | -88.9 | 107.1 | 164.2 | -74.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 11 | A | 34.4 | Very low | 33.3 | Very low | 90 Ų | 90 | 160.6 Ų | 160.6 | 74% | 0.744 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 132.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 12 | A | 33.3 | Very low | 33.1 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 130.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I14 | A12-I14 PolarHBondContact O-N 3.13Š|
| 13 | L | 30 | Very low | 33 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 119.4 | 173.7 | -109.3 | 98.9 | 0 | 0 | 0 | 110.2 | ||
| 14 | I | 31.6 | Very low | 32.8 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 116.9 | 158.6 | -66.7 | 177 | 0 | 0 | 0 | 107.5 | A12 M16 | A12-I14 PolarHBondContact O-N 3.13Å; I14-M16 PolarHBondContact O-N 3.05Å |
| 15 | Q | 28.4 | Very low | 33 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | -83 | 94.9 | -177.8 | -162.2 | 175.8 | -4.3 | 0 | 0 | 109.5 | S17 | Q15-S17 PolarHBondContact O-N 2.98Š| ||
| 16 | M | 30.6 | Very low | 33.2 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 82% | 0.823 | 83% | 0.828 | S | S | * | * | trans | -76.6 | 114.2 | 166.3 | -88.6 | -150.3 | -79.8 | 0 | 0 | 109.8 | I14 C18 | I14-M16 PolarHBondContact O-N 3.05Å; M16-C18 PolarHBondContact O-N 3.3Å | ||
| 17 | S | 33 | Very low | 33.3 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | trans | -85.5 | 90 | 170.3 | 48.4 | 0 | 0 | 0 | 0 | 110 | Q15 L19 | Q15-S17 PolarHBondContact O-N 2.98Å; S17-L19 PolarHBondContact O-N 3.24Å | ||
| 18 | C | 30.5 | Very low | 33.1 | Very low | 106 Ų | 106 | 153.7 Ų | 153.7 | 72% | 0.716 | 84% | 0.836 | S | S | * | * | trans | -72 | 109.2 | 164.6 | -64.6 | 0 | 0 | 0 | 0 | 109.2 | M16 Y20 | M16-C18 PolarHBondContact O-N 3.3Å; C18-Y20 PolarHBondContact O-N 3.06Å | ||
| 19 | L | 33.1 | Very low | 33.5 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 96% | 0.958 | 84% | 0.836 | S | S | * | * | trans | -78.8 | 74.2 | 167.2 | -76.3 | 166.7 | 0 | 0 | 0 | 109.8 | S17 | S17-L19 PolarHBondContact O-N 3.24Š| ||
| 20 | Y | 29.4 | Very low | 33.7 | Very low | 212 Ų | 212 | 145.1 Ų | 145.1 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | trans | -106.2 | 108.4 | 164.5 | -157.7 | -95.7 | 0 | 0 | 0 | 108.5 | C18 | C18-Y20 PolarHBondContact O-N 3.06Š| ||
| 21 | R | 37.4 | Very low | 34 | Very low | 247 Ų | 247 | 145.3 Ų | 145.3 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | trans | -97.2 | 118.5 | 177.2 | -144.2 | 173.7 | 176.5 | -174.4 | -1.1 | 107.7 | ||||
| 22 | G | 33.1 | Very low | 34.1 | Very low | 62 Ų | 62 | 152.1 Ų | 152.1 | 64% | 0.639 | 83% | 0.83 | S | S | * | * | trans | -59.3 | 173.3 | -161.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 23 | M | 34.1 | Very low | 34.3 | Very low | 187 Ų | 187 | 153 Ų | 153 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | -136.9 | 129.2 | 65.4 | -78.2 | 161.3 | 52.9 | 0 | 0 | 113.6 | |||||
| 24 | L | 32 | Very low | 35.1 | Very low | 162 Ų | 162 | 153.2 Ų | 153.2 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -75.1 | 117.6 | 156 | -99.3 | 133.8 | 0 | 0 | 0 | 108.3 | V26 | L24-V26 HydrophobicContact CD2-CG2 4.34Š| ||
| 25 | A | 37.4 | Very low | 35.5 | Very low | 92 Ų | 92 | 152.9 Ų | 152.9 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -103.2 | 96.9 | 161 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 26 | V | 36.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 72% | 0.715 | 82% | 0.823 | S | S | * | * | trans | -68.2 | 125.9 | 167.4 | 174.6 | 0 | 0 | 0 | 0 | 107.6 | L24 A28 | L24-V26 HydrophobicContact CD2-CG2 4.34Å; V26-A28 PolarHBondContact O-N 2.74Å; V26-A28 VanDerWaalsContact O-N 3.17Å | ||
| 27 | R | 38.3 | Very low | 36.6 | Very low | 247 Ų | 247 | 145.5 Ų | 145.5 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | trans | -63 | 113.3 | 170.8 | -80.2 | -179.6 | 173.9 | 175.3 | -2 | 108.8 | ||||
| 28 | A | 35.3 | Very low | 36.7 | Very low | 94 Ų | 94 | 147.8 Ų | 147.8 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | trans | -112.3 | 112.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | V26 | V26-A28 PolarHBondContact O-N 2.74Å; V26-A28 VanDerWaalsContact O-N 3.17Å | ||
| 29 | T | 41.2 | Very low | 37.1 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 92% | 0.92 | 83% | 0.827 | S | S | * | * | trans | -71 | 120 | 166 | 40.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 30 | G | 35.5 | Very low | 37.2 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -162.1 | 126.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 31 | T | 38.6 | Very low | 37.8 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -74 | 149 | -167.2 | 40.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 32 | R | 37.4 | Very low | 37.9 | Very low | 232 Ų | 232 | 139.7 Ų | 139.7 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | 68.1 | 147.4 | 153.6 | -80.6 | -175.9 | 168.7 | -169.7 | -1.6 | 117.1 | ||||
| 33 | T | 36.4 | Very low | 37.9 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | cis | -154.7 | 149.9 | 16.6 | -3.4 | 0 | 0 | 0 | 0 | 108.9 | I35 | T33-I35 PolarHBondContact O-N 3.47Š| ||
| 34 | L | 46.1 | Very low | 37.9 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -67.1 | 120.5 | 175.6 | -66 | 163.6 | 0 | 0 | 0 | 111.1 | ||||
| 35 | I | 40.9 | Very low | 37.9 | Very low | 155 Ų | 155 | 143 Ų | 143 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | trans | -118.2 | 111.6 | 156.4 | -56.6 | -178.8 | 0 | 0 | 0 | 106.7 | T33 | T33-I35 PolarHBondContact O-N 3.47Š| ||
| 36 | P | 36.7 | Very low | 37.5 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -74.1 | 126 | 171.4 | -8.2 | 24.5 | 0 | 0 | 0 | 109.3 | ||||
| 37 | G | 44.6 | Very low | 37.4 | Very low | 70 Ų | 70 | 145.2 Ų | 145.2 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 119.9 | 41.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 38 | L | 34.9 | Very low | 37.4 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -152.7 | 102.2 | 152.4 | -142.7 | 78.2 | 0 | 0 | 0 | 109.1 | P40 | L38-P40 WeakPolarHBondContact O-CD 3.33Š| ||
| 39 | V | 40 | Very low | 37.7 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -83.5 | 116 | 169.3 | -176.3 | 0 | 0 | 0 | 0 | 106.3 | Q41 | V39-Q41 PolarHBondContact O-N 3.11Š| ||
| 40 | P | 35.8 | Very low | 37.9 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | trans | -61.8 | 126.9 | 169.1 | -17.5 | 31.3 | 0 | 0 | 0 | 107.8 | L38 Q42 | L38-P40 WeakPolarHBondContact O-CD 3.33Å; P40-Q42 HydrophobicContact CB-CG 4.5Å; P40-Q42 PolarHBondContact O-N 3Å | ||
| 41 | Q | 42 | Very low | 38.8 | Very low | 175 Ų | 175 | 144 Ų | 144 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -68.5 | 73.3 | 173.9 | -165.3 | 174 | 4.2 | 0 | 0 | 108.8 | V39 F43 | V39-Q41 PolarHBondContact O-N 3.11Å; Q41-F43 PolarHBondContact O-N 3.23Å; Q41-F43 VanDerWaalsContact O-N 3.07Å | ||
| 42 | Q | 38.1 | Very low | 39.4 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -68.8 | 105.4 | 167.5 | -68.2 | -172 | -10.7 | 0 | 0 | 106.2 | P40 R44 | P40-Q42 HydrophobicContact CB-CG 4.5Å; P40-Q42 PolarHBondContact O-N 3Å; Q42-R44 PolarHBondContact O-N 3.41Å | ||
| 43 | F | 34.5 | Very low | 40.3 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | trans | -47.7 | 106.7 | 164.8 | -87.4 | -92.8 | 0 | 0 | 0 | 108.3 | Q41 A45 | Q41-F43 PolarHBondContact O-N 3.23Å; Q41-F43 VanDerWaalsContact O-N 3.07Å; F43-A45 PolarHBondContact O-N 3.46Å | ||
| 44 | R | 32.8 | Very low | 41.5 | Very low | 206 Ų | 206 | 133.5 Ų | 133.5 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | trans | -74.4 | 78.3 | 169.7 | -150.3 | -179.8 | -158.1 | -167.7 | 9 | 106.7 | Q42 F46 | Q42-R44 PolarHBondContact O-N 3.41Å; R44-F46 VanDerWaalsContact C-N 3.28Å; R44-F46 HydrophobicContact CB-CE2 4.35Å; R44-F46 HydrophobicContact CG-CD2 4.41Å; R44-F46 HydrophobicContact CG-CE2 4Å; R44-F46 HydrophobicContact CG-CZ 4.23Å; R44-F46 PolarHBondContact O-N 3.37Å | ||
| 45 | A | 33.5 | Very low | 42 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | trans | -68 | 94.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | F43 S47 | F43-A45 PolarHBondContact O-N 3.46Å; A45-S47 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 3.3Å | ||
| 46 | F | 28.4 | Very low | 43.1 | Very low | 154 Ų | 154 | 128.3 Ų | 128.3 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | trans | -64.6 | 98.3 | 164.3 | -73.4 | -84.8 | 0 | 0 | 0 | 106.8 | R44 V48 | R44-F46 VanDerWaalsContact C-N 3.28Å; R44-F46 HydrophobicContact CB-CE2 4.35Å; R44-F46 HydrophobicContact CG-CD2 4.41Å; R44-F46 HydrophobicContact CG-CE2 4Å; R44-F46 HydrophobicContact CG-CZ 4.23Å; R44-F46 PolarHBondContact O-N 3.37Å; F46-V48 VanDerWaalsContact C-N 3.32Å; F46-V48 PolarHBondContact O-N 3.36Å | ||
| 47 | S | 33.8 | Very low | 44.7 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | trans | -62.4 | 103.6 | 162.1 | -178.9 | 0 | 0 | 0 | 0 | 106.4 | A45 R49 | A45-S47 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 3.3Å; S47-R49 PolarHBondContact O-N 3.48Å | ||
| 48 | V | 39 | Very low | 46.2 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 66% | 0.655 | 67% | 0.672 | S | S | * | * | trans | -60.1 | 98.1 | 161 | 174.8 | 0 | 0 | 0 | 0 | 104.3 | F46 K50 | F46-V48 VanDerWaalsContact C-N 3.32Å; F46-V48 PolarHBondContact O-N 3.36Å; V48-K50 PolarHBondContact O-N 2.85Å | ||
| 49 | R | 40.5 | Very low | 48 | Very low | 209 Ų | 209 | 127.5 Ų | 127.5 | 79% | 0.789 | 66% | 0.66 | S | S | * | * | trans | -55.6 | 110.7 | 170.3 | -67.1 | -173.8 | -178.3 | -172.8 | -0.2 | 106.1 | S47 D51 R71 | S47-R49 PolarHBondContact O-N 3.48Å; R49-D51 PolarHBondContact O-N 2.99Å; R49-R71 PolarHBondContact O-NH2 3.05Å | ||
| 50 | K | 46.3 | Very low | 49.7 | Very low | 166 Ų | 166 | 122.9 Ų | 122.9 | 72% | 0.722 | 63% | 0.627 | S | S | * | * | trans | -65.5 | 116.3 | 163.5 | -104.9 | -179.5 | 172.4 | -178.7 | 0 | 104.7 | V48 P52 | V48-K50 PolarHBondContact O-N 2.85Å; K50-P52 WeakPolarHBondContact O-CD 3.44Å | ||
| 51 | D | 54.8 | Low | 51.8 | Low | 59 Ų | 59 | 123.2 Ų | 123.2 | 32% | 0.316 | 63% | 0.632 | S | S | . | * | trans | -63.5 | 118.1 | 171.2 | -67.9 | -47.4 | 0 | 0 | 0 | 106.8 | R49 E53 L54 R71 Y78 | R49-D51 PolarHBondContact O-N 2.99Å; D51-E53 PolarHBondContact O-N 3.14Å; D51-L54 HydrophobicContact CB-CD1 4.25Å; D51-L54 PolarHBondContact O-N 3.29Å; D51-R71 IonicContact OD2-CZ 2.69Å; D51-R71 IonicContact OD2-NH2 3.38Å; D51-R71 PolarHBondContact OD2-NH2 3.13Å; D51-Y78 PolarHBondContact OD2-OH 3.05Å | ||
| 52 | P | 51.2 | Low | 53.7 | Low | 109 Ų | 109 | 122.3 Ų | 122.3 | 71% | 0.708 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -30.9 | -167.6 | 18.7 | -28.9 | 0 | 0 | 0 | 113.1 | K50 | K50-P52 WeakPolarHBondContact O-CD 3.44Š|
| 53 | E | 56 | Low | 55.8 | Low | 134 Ų | 134 | 119 Ų | 119 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -22.8 | -176.1 | -63.3 | -176.5 | 171.6 | 0 | 0 | 115 | D51 R85 | D51-E53 PolarHBondContact O-N 3.14Å; E53-R85 IonicContact OE2-NH1 2.76Å |
| 54 | L | 61.1 | Low | 58 | Low | 22 Ų | 22 | 113.6 Ų | 113.6 | 12% | 0.115 | 58% | 0.583 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | -30.6 | -177.6 | -83.9 | 172.1 | 0 | 0 | 0 | 112 | D51 E56 N57 Y60 Y78 | D51-L54 HydrophobicContact CB-CD1 4.25Å; D51-L54 PolarHBondContact O-N 3.29Å; L54-E56 VanDerWaalsContact C-N 3.27Å; L54-E56 PolarHBondContact O-N 3.25Å; L54-N57 PolarHBondContact O-N 2.77Å; L54-Y60 HydrophobicContact CB-CD2 3.97Å; L54-Y60 HydrophobicContact CB-CE2 3.7Å; L54-Y60 HydrophobicContact CD1-CE2 4.45Å; L54-Y60 HydrophobicContact CD2-CD2 4.48Å; L54-Y60 HydrophobicContact CG-CE2 4.45Å; L54-Y60 VanDerWaalsContact O-CB 3.31Å; L54-Y60 WeakPolarHBondContact O-CB 3.43Å; L54-Y60 WeakPolarHBondContact O-CD2 3.5Å; L54-Y78 WeakPolarHBondContact CD1-OH 3.27Å |
| 55 | G | 57.9 | Low | 60.4 | Low | 53 Ų | 53 | 109.2 Ų | 109.2 | 55% | 0.546 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.6 | -17.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 56 | E | 62.2 | Low | 62.7 | Low | 164 Ų | 164 | 111.6 Ų | 111.6 | 77% | 0.766 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -13.3 | 179.3 | -64.3 | -175.1 | 162.8 | 0 | 0 | 112.8 | L54 P58 | L54-E56 VanDerWaalsContact C-N 3.27Å; L54-E56 PolarHBondContact O-N 3.25Å; E56-P58 WeakPolarHBondContact O-CD 3.12Å |
| 57 | N | 70.3 | Confident | 65.2 | Low | 83 Ų | 83 | 106.1 Ų | 106.1 | 44% | 0.444 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -74.3 | 124.6 | -179.8 | -174.6 | -39.5 | 0 | 0 | 0 | 111.2 | L54 F59 Y60 | L54-N57 PolarHBondContact O-N 2.77Å; N57-F59 PolarHBondContact O-N 2.73Å; N57-F59 PolarHBondContact OD1-N 3.02Å; N57-Y60 VanDerWaalsContact O-CB 3.25Å; N57-Y60 WeakPolarHBondContact O-CB 3.28Å; N57-Y60 PolarHBondContact O-N 3.14Å |
| 58 | P | 77.6 | Confident | 67.5 | Low | 119 Ų | 119 | 106.9 Ų | 106.9 | 77% | 0.773 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -23.3 | -179.6 | -26 | 33.9 | 0 | 0 | 0 | 115 | E56 | E56-P58 WeakPolarHBondContact O-CD 3.12Š|
| 59 | F | 71.2 | Confident | 69.7 | Low | 137 Ų | 137 | 108.8 Ų | 108.8 | 60% | 0.601 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -3.9 | -179.5 | -58.1 | -78.2 | 0 | 0 | 0 | 113.6 | N57 S61 K62 Y63 | N57-F59 PolarHBondContact O-N 2.73Å; N57-F59 PolarHBondContact OD1-N 3.02Å; F59-S61 VanDerWaalsContact C-N 3.28Å; F59-S61 PolarHBondContact O-N 3.48Å; F59-K62 WeakPolarHBondContact O-CB 3.47Å; F59-K62 PolarHBondContact O-N 2.81Å; F59-K62 VanDerWaalsContact O-N 3.07Å; F59-Y63 HydrophobicContact CB-CD2 4.33Å; F59-Y63 HydrophobicContact CB-CE2 4.24Å; F59-Y63 VanDerWaalsContact O-CD2 3.3Å; F59-Y63 WeakPolarHBondContact O-CD2 3.17Å |
| 60 | Y | 77.6 | Confident | 71.6 | Confident | 42 Ų | 42 | 101.2 Ų | 101.2 | 17% | 0.165 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -56.1 | -42.5 | -175.5 | -178.4 | -102.2 | 0 | 0 | 0 | 112.3 | L54 N57 K62 Y63 Q64 I67 | L54-Y60 HydrophobicContact CB-CD2 3.97Å; L54-Y60 HydrophobicContact CB-CE2 3.7Å; L54-Y60 HydrophobicContact CD1-CE2 4.45Å; L54-Y60 HydrophobicContact CD2-CD2 4.48Å; L54-Y60 HydrophobicContact CG-CE2 4.45Å; L54-Y60 VanDerWaalsContact O-CB 3.31Å; L54-Y60 WeakPolarHBondContact O-CB 3.43Å; L54-Y60 WeakPolarHBondContact O-CD2 3.5Å; N57-Y60 VanDerWaalsContact O-CB 3.25Å; N57-Y60 WeakPolarHBondContact O-CB 3.28Å; N57-Y60 PolarHBondContact O-N 3.14Å; Y60-K62 PolarHBondContact O-N 3.07Å; Y60-Y63 CarbonylContact O-C 3.34Å; Y60-Y63 PolarHBondContact O-N 3.35Å; Y60-Q64 HydrophobicContact CD1-CB 4.38Å; Y60-Q64 HydrophobicContact CE1-CB 4.04Å; Y60-Q64 HydrophobicContact CE1-CG 3.84Å; Y60-Q64 WeakPolarHBondContact O-CB 3.08Å; Y60-Q64 PolarHBondContact O-N 2.9Å; Y60-I67 HydrophobicContact CD2-CD1 3.94Å; Y60-I67 HydrophobicContact CE2-CD1 3.78Å |
| 61 | S | 78.6 | Confident | 73.1 | Confident | 102 Ų | 102 | 96.6 Ų | 96.6 | 71% | 0.713 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -54.2 | -38.3 | 178.7 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | F59 Y63 | F59-S61 VanDerWaalsContact C-N 3.28Å; F59-S61 PolarHBondContact O-N 3.48Å; S61-Y63 VanDerWaalsContact C-N 3.31Å; S61-Y63 PolarHBondContact O-N 3.34Å |
| 62 | K | 83.2 | Confident | 74.2 | Confident | 155 Ų | 155 | 98.1 Ų | 98.1 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.7 | -25.5 | 179.9 | -173 | 176.2 | -179.5 | 179.9 | 0 | 113.3 | F59 Y60 | F59-K62 WeakPolarHBondContact O-CB 3.47Å; F59-K62 PolarHBondContact O-N 2.81Å; F59-K62 VanDerWaalsContact O-N 3.07Å; Y60-K62 PolarHBondContact O-N 3.07Å |
| 63 | Y | 80.7 | Confident | 75.9 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -117.5 | -2.7 | -171.9 | -61.2 | -72.8 | 0 | 0 | 0 | 113.9 | F59 Y60 S61 D65 K66 I67 | F59-Y63 HydrophobicContact CB-CD2 4.33Å; F59-Y63 HydrophobicContact CB-CE2 4.24Å; F59-Y63 VanDerWaalsContact O-CD2 3.3Å; F59-Y63 WeakPolarHBondContact O-CD2 3.17Å; Y60-Y63 CarbonylContact O-C 3.34Å; Y60-Y63 PolarHBondContact O-N 3.35Å; S61-Y63 VanDerWaalsContact C-N 3.31Å; S61-Y63 PolarHBondContact O-N 3.34Å; Y63-D65 VanDerWaalsContact C-N 3.27Å; Y63-D65 PolarHBondContact O-N 3.32Å; Y63-K66 HydrophobicContact CD1-CD 4.34Å; Y63-K66 PolarHBondContact O-N 2.62Å; Y63-I67 WeakPolarHBondContact O-CG1 3.35Å; Y63-I67 PolarHBondContact O-N 2.81Å |
| 64 | Q | 81.8 | Confident | 77.4 | Confident | 69 Ų | 69 | 95.8 Ų | 95.8 | 32% | 0.322 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -51.9 | -45.3 | -178.2 | -178.9 | 179.3 | -39.3 | 0 | 0 | 111.8 | Y60 K66 I67 Q68 | Y60-Q64 HydrophobicContact CD1-CB 4.38Å; Y60-Q64 HydrophobicContact CE1-CB 4.04Å; Y60-Q64 HydrophobicContact CE1-CG 3.84Å; Y60-Q64 WeakPolarHBondContact O-CB 3.08Å; Y60-Q64 PolarHBondContact O-N 2.9Å; Q64-K66 VanDerWaalsContact C-N 3.32Å; Q64-K66 PolarHBondContact O-N 2.9Å; Q64-I67 PolarHBondContact O-N 3.19Å; Q64-Q68 WeakPolarHBondContact O-CB 3.48Å; Q64-Q68 PolarHBondContact O-N 2.8Å |
| 65 | D | 82.1 | Confident | 78.3 | Confident | 115 Ų | 115 | 98.1 Ų | 98.1 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -36 | -179.6 | -66.5 | -20.6 | 0 | 0 | 0 | 112.7 | Y63 K69 | Y63-D65 VanDerWaalsContact C-N 3.27Å; Y63-D65 PolarHBondContact O-N 3.32Å; D65-K69 WeakPolarHBondContact O-CB 3.44Å; D65-K69 VanDerWaalsContact O-CG 3.29Å; D65-K69 WeakPolarHBondContact O-CG 3.27Å; D65-K69 PolarHBondContact O-N 3.01Å |
| 66 | K | 82.7 | Confident | 79.4 | Confident | 142 Ų | 142 | 101.8 Ų | 101.8 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.6 | -39.6 | 176.1 | -70.2 | -176.4 | -178.6 | 177.2 | 0 | 111.1 | Y63 Q64 Q68 K69 L70 | Y63-K66 HydrophobicContact CD1-CD 4.34Å; Y63-K66 PolarHBondContact O-N 2.62Å; Q64-K66 VanDerWaalsContact C-N 3.32Å; Q64-K66 PolarHBondContact O-N 2.9Å; K66-Q68 VanDerWaalsContact C-N 3.34Å; K66-K69 PolarHBondContact O-N 3.22Å; K66-L70 WeakPolarHBondContact O-CB 3.41Å; K66-L70 PolarHBondContact O-N 3.35Å |
| 67 | I | 80.3 | Confident | 80.3 | Confident | 39 Ų | 39 | 96.5 Ų | 96.5 | 20% | 0.2 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.2 | -66 | 165.7 | 0 | 0 | 0 | 110.1 | Y60 Y63 Q64 L70 R71 Y78 | Y60-I67 HydrophobicContact CD2-CD1 3.94Å; Y60-I67 HydrophobicContact CE2-CD1 3.78Å; Y63-I67 WeakPolarHBondContact O-CG1 3.35Å; Y63-I67 PolarHBondContact O-N 2.81Å; Q64-I67 PolarHBondContact O-N 3.19Å; I67-L70 PolarHBondContact O-N 3.2Å; I67-R71 WeakPolarHBondContact O-CB 3.44Å; I67-R71 WeakPolarHBondContact O-CG 3.08Å; I67-R71 PolarHBondContact O-N 3.08Å; I67-Y78 HydrophobicContact CG2-CE2 3.94Å |
| 68 | Q | 81.9 | Confident | 80.7 | Confident | 117 Ų | 117 | 93.8 Ų | 93.8 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 178.2 | -171.4 | 163.5 | -9 | 0 | 0 | 112.2 | Q64 K66 L70 R71 S72 | Q64-Q68 WeakPolarHBondContact O-CB 3.48Å; Q64-Q68 PolarHBondContact O-N 2.8Å; K66-Q68 VanDerWaalsContact C-N 3.34Å; Q68-L70 VanDerWaalsContact C-N 3.35Å; Q68-R71 PolarHBondContact O-N 2.89Å; Q68-S72 PolarHBondContact O-N 3Å; Q68-S72 PolarHBondContact O-OG 2.96Å |
| 69 | K | 85.6 | Confident | 80.8 | Confident | 149 Ų | 149 | 94 Ų | 94 | 65% | 0.648 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.4 | -39.4 | 171.4 | -77.8 | 175.9 | -179.2 | 178.7 | 0 | 112.4 | D65 K66 S72 A73 | D65-K69 WeakPolarHBondContact O-CB 3.44Å; D65-K69 VanDerWaalsContact O-CG 3.29Å; D65-K69 WeakPolarHBondContact O-CG 3.27Å; D65-K69 PolarHBondContact O-N 3.01Å; K66-K69 PolarHBondContact O-N 3.22Å; K69-S72 PolarHBondContact O-N 3.13Å; K69-S72 PolarHBondContact O-OG 3.49Å; K69-S72 VanDerWaalsContact O-OG 3.13Å; K69-A73 WeakPolarHBondContact O-CB 3.35Å; K69-A73 PolarHBondContact O-N 2.89Å |
| 70 | L | 81.2 | Confident | 81.3 | Confident | 49 Ų | 49 | 92 Ų | 92 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 176.9 | -170.7 | 66.2 | 0 | 0 | 0 | 111.4 | K66 I67 Q68 S72 K74 Y78 | K66-L70 WeakPolarHBondContact O-CB 3.41Å; K66-L70 PolarHBondContact O-N 3.35Å; I67-L70 PolarHBondContact O-N 3.2Å; Q68-L70 VanDerWaalsContact C-N 3.35Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 3.39Å; L70-K74 CarbonylContact O-C 2.85Å; L70-K74 PolarHBondContact O-N 3.44Å; L70-Y78 HydrophobicContact CD2-CD2 4.32Å |
| 71 | R | 78.2 | Confident | 81.3 | Confident | 70 Ų | 70 | 97 Ų | 97 | 26% | 0.264 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.7 | -40 | 174.4 | -83.2 | 176 | 141.8 | -148.2 | -4.7 | 112.5 | R49 D51 I67 Q68 P75 Y78 | R49-R71 PolarHBondContact O-NH2 3.05Å; D51-R71 IonicContact OD2-CZ 2.69Å; D51-R71 IonicContact OD2-NH2 3.38Å; D51-R71 PolarHBondContact OD2-NH2 3.13Å; I67-R71 WeakPolarHBondContact O-CB 3.44Å; I67-R71 WeakPolarHBondContact O-CG 3.08Å; I67-R71 PolarHBondContact O-N 3.08Å; Q68-R71 PolarHBondContact O-N 2.89Å; R71-P75 WeakPolarHBondContact O-CG 3.27Å; R71-Y78 HydrophobicContact CG-CD1 3.79Å; R71-Y78 HydrophobicContact CG-CD2 3.79Å; R71-Y78 HydrophobicContact CG-CE1 3.77Å; R71-Y78 HydrophobicContact CG-CE2 3.75Å; R71-Y78 HydrophobicContact CG-CG 3.8Å; R71-Y78 PolarHBondContact NE-OH 3.25Å |
| 72 | S | 77.3 | Confident | 81 | Confident | 91 Ų | 91 | 95 Ų | 95 | 64% | 0.636 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -83.1 | -40.8 | -178.6 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | Q68 K69 L70 | Q68-S72 PolarHBondContact O-N 3Å; Q68-S72 PolarHBondContact O-OG 2.96Å; K69-S72 PolarHBondContact O-N 3.13Å; K69-S72 PolarHBondContact O-OG 3.49Å; K69-S72 VanDerWaalsContact O-OG 3.13Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 3.39Å |
| 73 | A | 86 | Confident | 80.7 | Confident | 76 Ų | 76 | 94.6 Ų | 94.6 | 63% | 0.628 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -77.8 | -37.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K69 | K69-A73 WeakPolarHBondContact O-CB 3.35Å; K69-A73 PolarHBondContact O-N 2.89Å |
| 74 | K | 87.8 | Confident | 80.3 | Confident | 117 Ų | 117 | 95.5 Ų | 95.5 | 51% | 0.509 | 46% | 0.463 | S | S | . | . | trans | -143.7 | 76.4 | -176.3 | -62.3 | -174.2 | -178.3 | 179.6 | 0 | 112 | L70 Q76 E77 Y78 | L70-K74 CarbonylContact O-C 2.85Å; L70-K74 PolarHBondContact O-N 3.44Å; K74-Q76 VanDerWaalsContact C-N 3.26Å; K74-Q76 PolarHBondContact O-N 2.82Å; K74-E77 HydrophobicContact CB-CB 3.95Å; K74-E77 HydrophobicContact CD-CB 4.46Å; K74-E77 WeakPolarHBondContact CD-OE2 3.17Å; K74-E77 IonicContact NZ-OE2 3.33Å; K74-E77 PolarHBondContact NZ-OE2 3.13Å; K74-E77 PolarHBondContact O-N 3.19Å; K74-Y78 PolarHBondContact O-N 3.08Å; K74-Y78 VanDerWaalsContact O-N 3.11Å | ||
| 75 | P | 81 | Confident | 79.5 | Confident | 72 Ų | 72 | 96.4 Ų | 96.4 | 47% | 0.468 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.2 | -34.4 | -177 | -22.6 | 31.3 | 0 | 0 | 0 | 114.1 | R71 K79 | R71-P75 WeakPolarHBondContact O-CG 3.27Å; P75-K79 WeakPolarHBondContact O-CG 3.1Å; P75-K79 PolarHBondContact O-N 2.86Å |
| 76 | Q | 79.8 | Confident | 78.3 | Confident | 129 Ų | 129 | 97 Ų | 97 | 60% | 0.603 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -71.5 | -45.6 | -178.9 | -155.9 | 74.6 | -1.4 | 0 | 0 | 111.6 | K74 Y78 K79 E80 | K74-Q76 VanDerWaalsContact C-N 3.26Å; K74-Q76 PolarHBondContact O-N 2.82Å; Q76-Y78 VanDerWaalsContact C-N 3.29Å; Q76-Y78 PolarHBondContact O-N 2.85Å; Q76-K79 PolarHBondContact O-N 2.98Å; Q76-E80 WeakPolarHBondContact O-CG 3.44Å; Q76-E80 PolarHBondContact O-N 3.4Å |
| 77 | E | 81.6 | Confident | 77 | Confident | 53 Ų | 53 | 96 Ų | 96 | 25% | 0.248 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 176.8 | -169.7 | -179.8 | 164.4 | 0 | 0 | 111.5 | K74 R81 | K74-E77 HydrophobicContact CB-CB 3.95Å; K74-E77 HydrophobicContact CD-CB 4.46Å; K74-E77 WeakPolarHBondContact CD-OE2 3.17Å; K74-E77 IonicContact NZ-OE2 3.33Å; K74-E77 PolarHBondContact NZ-OE2 3.13Å; K74-E77 PolarHBondContact O-N 3.19Å; E77-R81 WeakPolarHBondContact O-CB 3.22Å; E77-R81 VanDerWaalsContact O-CG 3.23Å; E77-R81 WeakPolarHBondContact O-CG 3.24Å; E77-R81 PolarHBondContact O-N 3.01Å; E77-R81 IonicContact OE1-CZ 3.8Å; E77-R81 VanDerWaalsContact OE1-CZ 3.23Å; E77-R81 IonicContact OE1-NE 2.74Å; E77-R81 PolarHBondContact OE1-NE 3.02Å; E77-R81 IonicContact OE1-NH2 3.2Å; E77-R81 PolarHBondContact OE1-NH2 2.94Å |
| 78 | Y | 79.3 | Confident | 75.7 | Confident | 27 Ų | 27 | 97.3 Ų | 97.3 | 11% | 0.106 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 173.4 | 175.9 | -98.6 | 0 | 0 | 0 | 112.2 | D51 L54 I67 L70 R71 K74 Q76 R81 L82 | D51-Y78 PolarHBondContact OD2-OH 3.05Å; L54-Y78 WeakPolarHBondContact CD1-OH 3.27Å; I67-Y78 HydrophobicContact CG2-CE2 3.94Å; L70-Y78 HydrophobicContact CD2-CD2 4.32Å; R71-Y78 HydrophobicContact CG-CD1 3.79Å; R71-Y78 HydrophobicContact CG-CD2 3.79Å; R71-Y78 HydrophobicContact CG-CE1 3.77Å; R71-Y78 HydrophobicContact CG-CE2 3.75Å; R71-Y78 HydrophobicContact CG-CG 3.8Å; R71-Y78 PolarHBondContact NE-OH 3.25Å; K74-Y78 PolarHBondContact O-N 3.08Å; K74-Y78 VanDerWaalsContact O-N 3.11Å; Q76-Y78 VanDerWaalsContact C-N 3.29Å; Q76-Y78 PolarHBondContact O-N 2.85Å; Y78-R81 PolarHBondContact O-N 2.8Å; Y78-L82 WeakPolarHBondContact O-CB 3.39Å; Y78-L82 PolarHBondContact O-N 3.36Å |
| 79 | K | 78.6 | Confident | 74.2 | Confident | 124 Ų | 124 | 100 Ų | 100 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 178.7 | -75.7 | -179.4 | 178.5 | -176.1 | 0 | 112 | P75 Q76 R81 L82 E83 | P75-K79 WeakPolarHBondContact O-CG 3.1Å; P75-K79 PolarHBondContact O-N 2.86Å; Q76-K79 PolarHBondContact O-N 2.98Å; K79-R81 VanDerWaalsContact C-N 3.32Å; K79-R81 PolarHBondContact O-N 3.4Å; K79-L82 WeakPolarHBondContact O-CB 3.41Å; K79-L82 PolarHBondContact O-N 3.43Å; K79-L82 VanDerWaalsContact O-N 3.09Å; K79-E83 WeakPolarHBondContact O-CG 3.36Å; K79-E83 PolarHBondContact O-N 2.89Å |
| 80 | E | 81.8 | Confident | 72.4 | Confident | 94 Ų | 94 | 101.2 Ų | 101.2 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 176.7 | -73.2 | 173.4 | -163.4 | 0 | 0 | 111.9 | Q76 L82 E83 K84 | Q76-E80 WeakPolarHBondContact O-CG 3.44Å; Q76-E80 PolarHBondContact O-N 3.4Å; E80-L82 VanDerWaalsContact C-N 3.31Å; E80-L82 PolarHBondContact O-N 3.28Å; E80-E83 PolarHBondContact O-N 3.27Å; E80-K84 VanDerWaalsContact O-CB 3.31Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 VanDerWaalsContact O-CG 3.22Å; E80-K84 WeakPolarHBondContact O-CG 3.3Å; E80-K84 PolarHBondContact O-N 3.01Å |
| 81 | R | 77.4 | Confident | 70.4 | Confident | 147 Ų | 147 | 105.3 Ų | 105.3 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.3 | -31.4 | 175 | -73.9 | 178.9 | -176.7 | -157.5 | 1.4 | 113.1 | E77 Y78 K79 R85 | E77-R81 WeakPolarHBondContact O-CB 3.22Å; E77-R81 VanDerWaalsContact O-CG 3.23Å; E77-R81 WeakPolarHBondContact O-CG 3.24Å; E77-R81 PolarHBondContact O-N 3.01Å; E77-R81 IonicContact OE1-CZ 3.8Å; E77-R81 VanDerWaalsContact OE1-CZ 3.23Å; E77-R81 IonicContact OE1-NE 2.74Å; E77-R81 PolarHBondContact OE1-NE 3.02Å; E77-R81 IonicContact OE1-NH2 3.2Å; E77-R81 PolarHBondContact OE1-NH2 2.94Å; Y78-R81 PolarHBondContact O-N 2.8Å; K79-R81 VanDerWaalsContact C-N 3.32Å; K79-R81 PolarHBondContact O-N 3.4Å; R81-R85 PolarHBondContact O-N 3.46Å |
| 82 | L | 73.9 | Confident | 68.8 | Low | 60 Ų | 60 | 108.2 Ų | 108.2 | 31% | 0.314 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.2 | -42.3 | 176.6 | -163.8 | 76.8 | 0 | 0 | 0 | 111 | Y78 K79 E80 R85 | Y78-L82 WeakPolarHBondContact O-CB 3.39Å; Y78-L82 PolarHBondContact O-N 3.36Å; K79-L82 WeakPolarHBondContact O-CB 3.41Å; K79-L82 PolarHBondContact O-N 3.43Å; K79-L82 VanDerWaalsContact O-N 3.09Å; E80-L82 VanDerWaalsContact C-N 3.31Å; E80-L82 PolarHBondContact O-N 3.28Å; L82-R85 WeakPolarHBondContact O-CB 3.45Å; L82-R85 PolarHBondContact O-N 3.48Å |
| 83 | E | 75.7 | Confident | 67.2 | Low | 146 Ų | 146 | 111.3 Ų | 111.3 | 68% | 0.682 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.3 | -40.8 | 176.5 | -71.1 | 179 | 179 | 0 | 0 | 111.2 | K79 E80 R85 | K79-E83 WeakPolarHBondContact O-CG 3.36Å; K79-E83 PolarHBondContact O-N 2.89Å; E80-E83 PolarHBondContact O-N 3.27Å; E83-R85 PolarHBondContact O-N 2.8Å |
| 84 | K | 72.2 | Confident | 65.1 | Low | 120 Ų | 120 | 110.5 Ų | 110.5 | 52% | 0.522 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -6.7 | 173.5 | -69.6 | -178.3 | 177.8 | -179.2 | 0 | 114.4 | E80 H86 E87 A88 | E80-K84 VanDerWaalsContact O-CB 3.31Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 VanDerWaalsContact O-CG 3.22Å; E80-K84 WeakPolarHBondContact O-CG 3.3Å; E80-K84 PolarHBondContact O-N 3.01Å; K84-H86 PolarHBondContact O-N 3.44Å; K84-E87 PolarHBondContact O-N 3.45Å; K84-E87 VanDerWaalsContact O-N 3.1Å; K84-A88 PolarHBondContact O-N 3.1Å |
| 85 | R | 65.9 | Low | 62.9 | Low | 87 Ų | 87 | 114.1 Ų | 114.1 | 33% | 0.328 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -57.7 | -39.2 | 175.6 | 178 | -172.2 | -84.1 | -167.6 | -6.9 | 111.6 | E53 R81 L82 E83 E87 K89 | E53-R85 IonicContact OE2-NH1 2.76Å; R81-R85 PolarHBondContact O-N 3.46Å; L82-R85 WeakPolarHBondContact O-CB 3.45Å; L82-R85 PolarHBondContact O-N 3.48Å; E83-R85 PolarHBondContact O-N 2.8Å; R85-E87 VanDerWaalsContact C-N 3.34Å; R85-K89 PolarHBondContact O-N 3.26Å |
| 86 | H | 55.3 | Low | 61.6 | Low | 129 Ų | 129 | 114.8 Ų | 114.8 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -75.2 | -27.1 | 179 | -71.7 | -82.6 | 0 | 0 | 0 | 112.2 | K84 K90 | K84-H86 PolarHBondContact O-N 3.44Å; H86-K90 PolarHBondContact O-N 3.18Å |
| 87 | E | 56.6 | Low | 60.8 | Low | 120 Ų | 120 | 115.4 Ų | 115.4 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -75.4 | -39.9 | 174 | -65.7 | 178.5 | 171.7 | 0 | 0 | 111.7 | K84 R85 K89 K90 D91 | K84-E87 PolarHBondContact O-N 3.45Å; K84-E87 VanDerWaalsContact O-N 3.1Å; R85-E87 VanDerWaalsContact C-N 3.34Å; E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 3.34Å; E87-K90 CarbonylContact O-C 3.56Å; E87-K90 VanDerWaalsContact O-CA 3.29Å; E87-K90 WeakPolarHBondContact O-CA 3.33Å; E87-K90 VanDerWaalsContact O-CB 3.25Å; E87-K90 WeakPolarHBondContact O-CB 3.3Å; E87-K90 PolarHBondContact O-N 3.27Å; E87-D91 PolarHBondContact O-N 3.43Å |
| 88 | A | 52.4 | Low | 60 | Low | 67 Ų | 67 | 114.3 Ų | 114.3 | 55% | 0.554 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69 | -23.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K84 K90 | K84-A88 PolarHBondContact O-N 3.1Å; A88-K90 VanDerWaalsContact C-N 3.28Å |
| 89 | K | 51.8 | Low | 59.5 | Low | 173 Ų | 173 | 114 Ų | 114 | 75% | 0.752 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -18.2 | 165.8 | -78.9 | -172.5 | 174.2 | -172.6 | 0 | 112.8 | R85 E87 | R85-K89 PolarHBondContact O-N 3.26Å; E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 3.34Å |
| 90 | K | 46 | Very low | 59.3 | Low | 174 Ų | 174 | 113.2 Ų | 113.2 | 76% | 0.757 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -11.7 | 178.3 | -99.7 | -176.5 | 176.6 | -179.1 | 0 | 113.5 | H86 E87 A88 V92 | H86-K90 PolarHBondContact O-N 3.18Å; E87-K90 CarbonylContact O-C 3.56Å; E87-K90 VanDerWaalsContact O-CA 3.29Å; E87-K90 WeakPolarHBondContact O-CA 3.33Å; E87-K90 VanDerWaalsContact O-CB 3.25Å; E87-K90 WeakPolarHBondContact O-CB 3.3Å; E87-K90 PolarHBondContact O-N 3.27Å; A88-K90 VanDerWaalsContact C-N 3.28Å; K90-V92 VanDerWaalsContact C-N 3.32Å; K90-V92 PolarHBondContact O-N 3.43Å |
| 91 | D | 40.2 | Very low | 58.9 | Low | 135 Ų | 135 | 111.2 Ų | 111.2 | 72% | 0.722 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -61.9 | 102 | 166.2 | -84.5 | -19.2 | 0 | 0 | 0 | 107.6 | E87 L93 | E87-D91 PolarHBondContact O-N 3.43Å; D91-L93 PolarHBondContact O-N 3.48Å; D91-L93 VanDerWaalsContact O-N 3.09Å |
| 92 | V | 45 | Very low | 58.6 | Low | 131 Ų | 131 | 104.3 Ų | 104.3 | 79% | 0.794 | 53% | 0.532 | S | S | * | . | trans | -44.5 | 115.7 | 175.5 | 177.1 | 0 | 0 | 0 | 0 | 107.7 | K90 G94 | K90-V92 VanDerWaalsContact C-N 3.32Å; K90-V92 PolarHBondContact O-N 3.43Å; V92-G94 PolarHBondContact O-N 3.36Å; V92-G94 VanDerWaalsContact O-N 3.07Å | ||
| 93 | L | 43.8 | Very low | 58.6 | Low | 156 Ų | 156 | 109.7 Ų | 109.7 | 82% | 0.817 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -34.4 | 119.9 | 162.5 | -90.3 | 144.3 | 0 | 0 | 0 | 107.9 | D91 | D91-L93 PolarHBondContact O-N 3.48Å; D91-L93 VanDerWaalsContact O-N 3.09Å |
| 94 | G | 41.4 | Very low | 58.5 | Low | 59 Ų | 59 | 106.3 Ų | 106.3 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -48 | 161.2 | -159.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V92 S96 | V92-G94 PolarHBondContact O-N 3.36Å; V92-G94 VanDerWaalsContact O-N 3.07Å; G94-S96 WeakPolarHBondContact O-CA 3.36Å; G94-S96 PolarHBondContact O-N 2.91Å |
| 95 | H | 42.2 | Very low | 58.4 | Low | 194 Ų | 194 | 101.8 Ų | 101.8 | 90% | 0.898 | 52% | 0.518 | S | S | * | . | trans | -29.7 | 97.9 | -176.7 | -68.8 | 13.2 | 0 | 0 | 0 | 111.6 | K97 | H95-K97 PolarHBondContact O-N 3.21Å; H95-K97 VanDerWaalsContact O-N 3.1Å | ||
| 96 | S | 52.6 | Low | 58.7 | Low | 86 Ų | 86 | 101.3 Ų | 101.3 | 60% | 0.601 | 52% | 0.52 | S | S | * | . | trans | -69.7 | 114.2 | -170.9 | -173.8 | 0 | 0 | 0 | 0 | 106.6 | G94 Q98 | G94-S96 WeakPolarHBondContact O-CA 3.36Å; G94-S96 PolarHBondContact O-N 2.91Å; S96-Q98 PolarHBondContact O-N 3.02Å; S96-Q98 WeakPolarHBondContact OG-CB 3.29Å | ||
| 97 | K | 64.1 | Low | 59.5 | Low | 142 Ų | 142 | 100.6 Ų | 100.6 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | trans | -69 | 42.6 | 167.6 | -76.3 | 169.1 | 160.1 | -104.2 | 0 | 110.5 | H95 A99 E100 F101 | H95-K97 PolarHBondContact O-N 3.21Å; H95-K97 VanDerWaalsContact O-N 3.1Å; K97-A99 VanDerWaalsContact C-N 3.34Å; K97-A99 PolarHBondContact O-N 3.08Å; K97-E100 HydrophobicContact CB-CB 4.26Å; K97-E100 HydrophobicContact CB-CG 4.5Å; K97-E100 WeakPolarHBondContact CD-OE2 3.23Å; K97-E100 WeakPolarHBondContact CE-OE2 3.3Å; K97-E100 WeakPolarHBondContact CG-OE2 3.5Å; K97-E100 IonicContact NZ-OE1 3.56Å; K97-E100 PolarHBondContact NZ-OE1 3.35Å; K97-E100 IonicContact NZ-OE2 3.2Å; K97-E100 PolarHBondContact NZ-OE2 2.81Å; K97-E100 PolarHBondContact O-N 3.01Å; K97-F101 WeakPolarHBondContact O-CB 3.47Å; K97-F101 PolarHBondContact O-N 3.18Å | ||
| 98 | Q | 64.5 | Low | 60 | Low | 29 Ų | 29 | 96 Ų | 96 | 14% | 0.136 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | -173.6 | 175.7 | 150.2 | 8.4 | 0 | 0 | 111.3 | S96 F101 I102 | S96-Q98 PolarHBondContact O-N 3.02Å; S96-Q98 WeakPolarHBondContact OG-CB 3.29Å; Q98-F101 PolarHBondContact O-N 3.01Å; Q98-I102 HydrophobicContact CG-CD1 3.65Å; Q98-I102 HydrophobicContact CG-CG1 4.41Å; Q98-I102 WeakPolarHBondContact O-CB 3.12Å; Q98-I102 VanDerWaalsContact O-CG1 3.29Å; Q98-I102 WeakPolarHBondContact O-CG1 3.42Å; Q98-I102 PolarHBondContact O-N 3.46Å |
| 99 | A | 68 | Low | 60.4 | Low | 21 Ų | 21 | 94.1 Ų | 94.1 | 17% | 0.174 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K97 R103 P285 E286 | K97-A99 VanDerWaalsContact C-N 3.34Å; K97-A99 PolarHBondContact O-N 3.08Å; A99-R103 WeakPolarHBondContact O-CB 3.19Å; A99-R103 WeakPolarHBondContact O-CG 3.34Å; A99-R103 PolarHBondContact O-N 3.27Å; A99-P285 HydrophobicContact CB-CB 4.46Å; A99-P285 HydrophobicContact CB-CG 4.31Å; A99-E286 HydrophobicContact CB-CG 3.66Å |
| 100 | E | 74.4 | Confident | 61.1 | Low | 108 Ų | 108 | 90.6 Ų | 90.6 | 51% | 0.505 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 174.1 | -63.4 | 180 | 172.7 | 0 | 0 | 111 | K97 R103 V104 | K97-E100 HydrophobicContact CB-CB 4.26Å; K97-E100 HydrophobicContact CB-CG 4.5Å; K97-E100 WeakPolarHBondContact CD-OE2 3.23Å; K97-E100 WeakPolarHBondContact CE-OE2 3.3Å; K97-E100 WeakPolarHBondContact CG-OE2 3.5Å; K97-E100 IonicContact NZ-OE1 3.56Å; K97-E100 PolarHBondContact NZ-OE1 3.35Å; K97-E100 IonicContact NZ-OE2 3.2Å; K97-E100 PolarHBondContact NZ-OE2 2.81Å; K97-E100 PolarHBondContact O-N 3.01Å; E100-R103 PolarHBondContact O-N 3.26Å; E100-V104 WeakPolarHBondContact O-CG2 3.28Å; E100-V104 PolarHBondContact O-N 3.29Å |
| 101 | F | 73.6 | Confident | 62 | Low | 51 Ų | 51 | 86.7 Ų | 86.7 | 22% | 0.224 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 177 | 175.4 | -97.2 | 0 | 0 | 0 | 112 | K97 Q98 V104 M105 V198 L211 I214 Q215 | K97-F101 WeakPolarHBondContact O-CB 3.47Å; K97-F101 PolarHBondContact O-N 3.18Å; Q98-F101 PolarHBondContact O-N 3.01Å; F101-V104 PolarHBondContact O-N 2.94Å; F101-M105 HydrophobicContact CD1-CG 4.26Å; F101-M105 HydrophobicContact CE1-CG 3.81Å; F101-M105 HydrophobicContact CE2-CG 4.16Å; F101-M105 HydrophobicContact CE2-SD 4.43Å; F101-M105 HydrophobicContact CZ-CG 3.74Å; F101-M105 HydrophobicContact CZ-SD 4.18Å; F101-M105 WeakPolarHBondContact O-CG 3.41Å; F101-M105 PolarHBondContact O-N 2.68Å; F101-V198 HydrophobicContact CE1-CG2 4.39Å; F101-V198 HydrophobicContact CZ-CG2 4.48Å; F101-L211 HydrophobicContact CE1-CD1 3.64Å; F101-L211 HydrophobicContact CE2-CD1 3.99Å; F101-L211 HydrophobicContact CZ-CD1 3.27Å; F101-I214 HydrophobicContact CE2-CB 4.45Å; F101-I214 HydrophobicContact CE2-CG2 3.64Å; F101-I214 HydrophobicContact CZ-CB 4.38Å; F101-I214 HydrophobicContact CZ-CD1 4.44Å; F101-I214 HydrophobicContact CZ-CG2 3.77Å; F101-Q215 HydrophobicContact CE2-CG 4.48Å |
| 102 | I | 70.3 | Confident | 63.1 | Low | 3 Ų | 3 | 84.4 Ų | 84.4 | 2% | 0.015 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 179.9 | -68.9 | 167.9 | 0 | 0 | 0 | 110.5 | Q98 V104 M105 E106 F281 P285 | Q98-I102 HydrophobicContact CG-CD1 3.65Å; Q98-I102 HydrophobicContact CG-CG1 4.41Å; Q98-I102 WeakPolarHBondContact O-CB 3.12Å; Q98-I102 VanDerWaalsContact O-CG1 3.29Å; Q98-I102 WeakPolarHBondContact O-CG1 3.42Å; Q98-I102 PolarHBondContact O-N 3.46Å; I102-V104 PolarHBondContact O-N 2.69Å; I102-M105 PolarHBondContact O-N 3.2Å; I102-E106 WeakPolarHBondContact O-CB 3.39Å; I102-E106 PolarHBondContact O-N 3.18Å; I102-F281 HydrophobicContact CD1-CD2 3.8Å; I102-F281 HydrophobicContact CD1-CE1 4.34Å; I102-F281 HydrophobicContact CD1-CE2 3.51Å; I102-F281 HydrophobicContact CD1-CG 4.34Å; I102-F281 HydrophobicContact CD1-CZ 3.81Å; I102-F281 HydrophobicContact CG1-CE1 4.3Å; I102-F281 HydrophobicContact CG1-CE2 3.97Å; I102-F281 HydrophobicContact CG1-CZ 3.77Å; I102-P285 HydrophobicContact CB-CB 4.03Å; I102-P285 HydrophobicContact CD1-CB 3.39Å; I102-P285 HydrophobicContact CG1-CB 4.27Å; I102-P285 HydrophobicContact CG2-CB 4.05Å; I102-P285 HydrophobicContact CG2-CG 4.45Å |
| 103 | R | 75.3 | Confident | 63.7 | Low | 173 Ų | 173 | 80.9 Ų | 80.9 | 65% | 0.653 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.5 | -43.4 | 174 | -82.6 | 178.2 | 147.8 | -164.6 | -4.4 | 112.9 | A99 E100 E106 Q107 | A99-R103 WeakPolarHBondContact O-CB 3.19Å; A99-R103 WeakPolarHBondContact O-CG 3.34Å; A99-R103 PolarHBondContact O-N 3.27Å; E100-R103 PolarHBondContact O-N 3.26Å; R103-E106 PolarHBondContact O-N 3.22Å; R103-Q107 WeakPolarHBondContact O-CG 3.41Å; R103-Q107 PolarHBondContact O-N 3.03Å |
| 104 | V | 74.1 | Confident | 64.5 | Low | 75 Ų | 75 | 80 Ų | 80 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.1 | -49.4 | 174.5 | 169.9 | 0 | 0 | 0 | 0 | 109.2 | E100 F101 I102 E106 Q107 E108 | E100-V104 WeakPolarHBondContact O-CG2 3.28Å; E100-V104 PolarHBondContact O-N 3.29Å; F101-V104 PolarHBondContact O-N 2.94Å; I102-V104 PolarHBondContact O-N 2.69Å; V104-E106 VanDerWaalsContact C-N 3.3Å; V104-E106 PolarHBondContact O-N 2.92Å; V104-Q107 PolarHBondContact O-N 3.29Å; V104-E108 HydrophobicContact CG1-CG 4.18Å; V104-E108 WeakPolarHBondContact O-CB 3.32Å; V104-E108 VanDerWaalsContact O-CG 3.28Å; V104-E108 WeakPolarHBondContact O-CG 3.4Å; V104-E108 PolarHBondContact O-N 3.32Å |
| 105 | M | 69.9 | Low | 65 | Low | 24 Ų | 24 | 83.6 Ų | 83.6 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.5 | -37 | 179.1 | -71.2 | -56.9 | -60.5 | 0 | 0 | 113.6 | F101 I102 F109 M183 I214 | F101-M105 HydrophobicContact CD1-CG 4.26Å; F101-M105 HydrophobicContact CE1-CG 3.81Å; F101-M105 HydrophobicContact CE2-CG 4.16Å; F101-M105 HydrophobicContact CE2-SD 4.43Å; F101-M105 HydrophobicContact CZ-CG 3.74Å; F101-M105 HydrophobicContact CZ-SD 4.18Å; F101-M105 WeakPolarHBondContact O-CG 3.41Å; F101-M105 PolarHBondContact O-N 2.68Å; I102-M105 PolarHBondContact O-N 3.2Å; M105-F109 WeakPolarHBondContact O-CB 3.38Å; M105-F109 PolarHBondContact O-N 2.89Å; M105-M183 HydrophobicContact CB-CE 4.45Å; M105-M183 HydrophobicContact CB-SD 4.06Å; M105-I214 HydrophobicContact CE-CD1 3.99Å; M105-I214 HydrophobicContact CE-CG2 4.28Å; M105-I214 HydrophobicContact SD-CD1 4.43Å; M105-I214 HydrophobicContact SD-CG2 3.46Å; M105-I214 WeakPolarHBondContact SD-CG2 3.43Å |
| 106 | E | 70.9 | Confident | 65.4 | Low | 77 Ų | 77 | 77.4 Ų | 77.4 | 36% | 0.36 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.3 | -42.5 | 177.4 | -161.8 | 172.6 | -147.8 | 0 | 0 | 111.8 | I102 R103 V104 F109 E110 M183 | I102-E106 WeakPolarHBondContact O-CB 3.39Å; I102-E106 PolarHBondContact O-N 3.18Å; R103-E106 PolarHBondContact O-N 3.22Å; V104-E106 VanDerWaalsContact C-N 3.3Å; V104-E106 PolarHBondContact O-N 2.92Å; E106-F109 WeakPolarHBondContact O-CB 3.46Å; E106-F109 PolarHBondContact O-N 2.91Å; E106-E110 PolarHBondContact O-N 2.81Å; E106-E110 VanDerWaalsContact O-N 3.08Å; E106-M183 HydrophobicContact CB-CE 3.71Å; E106-M183 HydrophobicContact CG-CE 4.04Å |
| 107 | Q | 72 | Confident | 65.1 | Low | 115 Ų | 115 | 77.5 Ų | 77.5 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 173.8 | -71.4 | 176.3 | -0.9 | 0 | 0 | 112 | R103 V104 F109 E110 K111 | R103-Q107 WeakPolarHBondContact O-CG 3.41Å; R103-Q107 PolarHBondContact O-N 3.03Å; V104-Q107 PolarHBondContact O-N 3.29Å; Q107-F109 VanDerWaalsContact C-N 3.32Å; Q107-E110 PolarHBondContact O-N 3.42Å; Q107-K111 WeakPolarHBondContact O-CG 3.49Å; Q107-K111 PolarHBondContact O-N 3.18Å |
| 108 | E | 67.7 | Low | 64.1 | Low | 23 Ų | 23 | 73.7 Ų | 73.7 | 11% | 0.107 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.6 | -34.2 | 176.3 | -65.9 | -39.1 | 125.3 | 0 | 0 | 112.3 | V104 K111 R112 E219 | V104-E108 HydrophobicContact CG1-CG 4.18Å; V104-E108 WeakPolarHBondContact O-CB 3.32Å; V104-E108 VanDerWaalsContact O-CG 3.28Å; V104-E108 WeakPolarHBondContact O-CG 3.4Å; V104-E108 PolarHBondContact O-N 3.32Å; E108-K111 VanDerWaalsContact CD-NZ 3.33Å; E108-K111 PolarHBondContact O-N 2.91Å; E108-K111 IonicContact OE1-NZ 2.73Å; E108-K111 PolarHBondContact OE1-NZ 2.95Å; E108-K111 WeakPolarHBondContact OE2-CD 3.49Å; E108-K111 IonicContact OE2-NZ 3.93Å; E108-K111 PolarHBondContact OE2-NZ 3.4Å; E108-R112 PolarHBondContact O-N 3Å; E108-E219 VanDerWaalsContact CD-CD 3.47Å; E108-E219 HydrophobicContact CG-CG 3.8Å; E108-E219 VanDerWaalsContact OE2-CG 3.29Å; E108-E219 WeakPolarHBondContact OE2-CG 3.24Å; E108-E219 VanDerWaalsContact OE2-OE1 3.08Å |
| 109 | F | 61.5 | Low | 62.8 | Low | 28 Ų | 28 | 79.2 Ų | 79.2 | 12% | 0.123 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61 | -52.3 | 172.6 | -179.7 | -118.6 | 0 | 0 | 0 | 111.8 | M105 E106 Q107 K111 R112 D113 P182 Q200 W201 | M105-F109 WeakPolarHBondContact O-CB 3.38Å; M105-F109 PolarHBondContact O-N 2.89Å; E106-F109 WeakPolarHBondContact O-CB 3.46Å; E106-F109 PolarHBondContact O-N 2.91Å; Q107-F109 VanDerWaalsContact C-N 3.32Å; F109-K111 PolarHBondContact O-N 3.45Å; F109-R112 PolarHBondContact O-N 3.29Å; F109-D113 WeakPolarHBondContact CZ-OD2 3.27Å; F109-D113 PolarHBondContact O-N 2.8Å; F109-P182 HydrophobicContact CE1-CB 4.28Å; F109-P182 HydrophobicContact CE1-CG 4.29Å; F109-P182 HydrophobicContact CZ-CB 4.39Å; F109-Q200 VanDerWaalsContact CB-NE2 3.27Å; F109-Q200 HydrophobicContact CD2-CG 3.67Å; F109-Q200 HydrophobicContact CE2-CG 3.86Å; F109-W201 VanDerWaalsContact CE2-O 3.29Å; F109-W201 WeakPolarHBondContact CE2-O 3.38Å; F109-W201 VanDerWaalsContact CZ-O 3.3Å; F109-W201 WeakPolarHBondContact CZ-O 3.17Å |
| 110 | E | 66.3 | Low | 61.7 | Low | 99 Ų | 99 | 80 Ų | 80 | 46% | 0.463 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.7 | -35.8 | 179.5 | -73.2 | -170.2 | -166.4 | 0 | 0 | 112.1 | E106 Q107 K114 | E106-E110 PolarHBondContact O-N 2.81Å; E106-E110 VanDerWaalsContact O-N 3.08Å; Q107-E110 PolarHBondContact O-N 3.42Å; E110-K114 WeakPolarHBondContact O-CB 3.16Å; E110-K114 VanDerWaalsContact O-CD 3.27Å; E110-K114 WeakPolarHBondContact O-CD 3.37Å; E110-K114 WeakPolarHBondContact O-CG 3.32Å; E110-K114 PolarHBondContact O-N 3.25Å; E110-K114 VanDerWaalsContact O-N 3.11Å; E110-K114 IonicContact OE2-NZ 3.35Å; E110-K114 PolarHBondContact OE2-NZ 2.84Å |
| 111 | K | 65.4 | Low | 60.3 | Low | 91 Ų | 91 | 79.5 Ų | 79.5 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 175 | -70.1 | 171.9 | -172.1 | 168.2 | 0 | 111.5 | Q107 E108 F109 K114 M115 E219 | Q107-K111 WeakPolarHBondContact O-CG 3.49Å; Q107-K111 PolarHBondContact O-N 3.18Å; E108-K111 VanDerWaalsContact CD-NZ 3.33Å; E108-K111 PolarHBondContact O-N 2.91Å; E108-K111 IonicContact OE1-NZ 2.73Å; E108-K111 PolarHBondContact OE1-NZ 2.95Å; E108-K111 WeakPolarHBondContact OE2-CD 3.49Å; E108-K111 IonicContact OE2-NZ 3.93Å; E108-K111 PolarHBondContact OE2-NZ 3.4Å; F109-K111 PolarHBondContact O-N 3.45Å; K111-K114 PolarHBondContact O-N 3.3Å; K111-M115 WeakPolarHBondContact O-CB 3.44Å; K111-M115 VanDerWaalsContact O-CG 3.3Å; K111-M115 WeakPolarHBondContact O-CG 3.44Å; K111-M115 PolarHBondContact O-N 3.48Å; K111-E219 IonicContact NZ-OE1 3.29Å |
| 112 | R | 62.7 | Low | 58.6 | Low | 87 Ų | 87 | 82 Ų | 82 | 33% | 0.328 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 177.9 | -78.2 | -179.1 | 174.6 | -178.3 | -4.1 | 112.2 | E108 F109 K114 M115 A116 E219 | E108-R112 PolarHBondContact O-N 3Å; F109-R112 PolarHBondContact O-N 3.29Å; R112-K114 VanDerWaalsContact C-N 3.35Å; R112-K114 PolarHBondContact O-N 3.1Å; R112-M115 PolarHBondContact O-N 2.8Å; R112-A116 VanDerWaalsContact O-CB 3.3Å; R112-A116 WeakPolarHBondContact O-CB 3.48Å; R112-A116 PolarHBondContact O-N 2.91Å; R112-E219 PolarHBondContact NH2-O 2.95Å |
| 113 | D | 57.4 | Low | 57.2 | Low | 58 Ų | 58 | 84.6 Ų | 84.6 | 31% | 0.31 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 177.8 | -98 | 12.2 | 0 | 0 | 0 | 112 | F109 S117 S202 | F109-D113 WeakPolarHBondContact CZ-OD2 3.27Å; F109-D113 PolarHBondContact O-N 2.8Å; D113-S117 PolarHBondContact O-N 2.87Å; D113-S117 PolarHBondContact O-OG 3.45Å; D113-S202 PolarHBondContact OD1-OG 2.86Å; D113-S202 VanDerWaalsContact OD1-OG 3.13Å |
| 114 | K | 60.3 | Low | 55.8 | Low | 136 Ų | 136 | 81 Ų | 81 | 59% | 0.591 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.3 | -34.8 | 173.1 | -72 | 166.9 | -167.2 | 160.3 | 0 | 112.4 | E110 K111 R112 S117 | E110-K114 WeakPolarHBondContact O-CB 3.16Å; E110-K114 VanDerWaalsContact O-CD 3.27Å; E110-K114 WeakPolarHBondContact O-CD 3.37Å; E110-K114 WeakPolarHBondContact O-CG 3.32Å; E110-K114 PolarHBondContact O-N 3.25Å; E110-K114 VanDerWaalsContact O-N 3.11Å; E110-K114 IonicContact OE2-NZ 3.35Å; E110-K114 PolarHBondContact OE2-NZ 2.84Å; K111-K114 PolarHBondContact O-N 3.3Å; R112-K114 VanDerWaalsContact C-N 3.35Å; R112-K114 PolarHBondContact O-N 3.1Å; K114-S117 WeakPolarHBondContact CA-OG 3.5Å; K114-S117 PolarHBondContact O-OG 2.7Å; K114-S117 VanDerWaalsContact O-OG 3.05Å |
| 115 | M | 53 | Low | 54.6 | Low | 135 Ų | 135 | 79.4 Ų | 79.4 | 67% | 0.665 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.4 | -38.6 | 176 | -73.2 | 178.3 | 178.4 | 0 | 0 | 112.4 | K111 R112 S117 G118 D119 | K111-M115 WeakPolarHBondContact O-CB 3.44Å; K111-M115 VanDerWaalsContact O-CG 3.3Å; K111-M115 WeakPolarHBondContact O-CG 3.44Å; K111-M115 PolarHBondContact O-N 3.48Å; R112-M115 PolarHBondContact O-N 2.8Å; M115-S117 PolarHBondContact O-N 3.14Å; M115-G118 PolarHBondContact O-N 3.04Å; M115-D119 PolarHBondContact O-N 3.06Å; M115-D119 VanDerWaalsContact O-N 3.13Å |
| 116 | A | 50.6 | Low | 53.8 | Low | 64 Ų | 64 | 82.2 Ų | 82.2 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -17.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | R112 | R112-A116 VanDerWaalsContact O-CB 3.3Å; R112-A116 WeakPolarHBondContact O-CB 3.48Å; R112-A116 PolarHBondContact O-N 2.91Å |
| 117 | S | 45.8 | Very low | 52.8 | Low | 88 Ų | 88 | 86 Ų | 86 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -4.4 | 171.4 | 35.3 | 0 | 0 | 0 | 0 | 114 | D113 K114 M115 | D113-S117 PolarHBondContact O-N 2.87Å; D113-S117 PolarHBondContact O-OG 3.45Å; K114-S117 WeakPolarHBondContact CA-OG 3.5Å; K114-S117 PolarHBondContact O-OG 2.7Å; K114-S117 VanDerWaalsContact O-OG 3.05Å; M115-S117 PolarHBondContact O-N 3.14Å |
| 118 | G | 41.9 | Very low | 51.8 | Low | 62 Ų | 62 | 87 Ų | 87 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -42.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | M115 | M115-G118 PolarHBondContact O-N 3.04Š|
| 119 | D | 37.5 | Very low | 51.6 | Low | 146 Ų | 146 | 89.1 Ų | 89.1 | 78% | 0.781 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -165.5 | 139.4 | 172.5 | -144.5 | -10.1 | 0 | 0 | 0 | 110.3 | M115 A121 | M115-D119 PolarHBondContact O-N 3.06Å; M115-D119 VanDerWaalsContact O-N 3.13Å; D119-A121 PolarHBondContact O-N 2.94Å |
| 120 | G | 44.5 | Very low | 52.5 | Low | 38 Ų | 38 | 92 Ų | 92 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | trans | -76.7 | 91.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K127 | G120-K127 VanDerWaalsContact O-CE 3.24Å; G120-K127 WeakPolarHBondContact O-CE 3.38Å; G120-K127 PolarHBondContact O-NZ 3.25Å | ||
| 121 | A | 45.6 | Very low | 53.3 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 79% | 0.793 | 53% | 0.529 | S | S | * | . | trans | -147.5 | 93.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112 | D119 | D119-A121 PolarHBondContact O-N 2.94Š| ||
| 122 | S | 39.1 | Very low | 53.9 | Low | 104 Ų | 104 | 85 Ų | 85 | 73% | 0.727 | 53% | 0.531 | S | S | * | . | trans | -143.9 | 120 | 157.5 | 60 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 123 | G | 40.2 | Very low | 54.8 | Low | 57 Ų | 57 | 84.4 Ų | 84.4 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | S | Bend | trans | 31.4 | 102.8 | 156 | 0 | 0 | 0 | 0 | 0 | 120.5 | F125 | G123-F125 VanDerWaalsContact C-N 3.3Å; G123-F125 PolarHBondContact O-N 2.84Å |
| 124 | A | 44.6 | Very low | 56 | Low | 98 Ų | 98 | 83.3 Ų | 83.3 | 81% | 0.81 | 53% | 0.534 | S | S | * | . | S | Bend | trans | 54.8 | 12.7 | 137.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||
| 125 | F | 50.4 | Low | 57 | Low | 42 Ų | 42 | 77.9 Ų | 77.9 | 18% | 0.184 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -125.2 | 146.6 | 168 | -63.6 | -67.1 | 0 | 0 | 0 | 111.7 | G123 K127 S223 I226 E245 | G123-F125 VanDerWaalsContact C-N 3.3Å; G123-F125 PolarHBondContact O-N 2.84Å; F125-K127 PolarHBondContact O-N 3.39Å; F125-S223 WeakPolarHBondContact CE2-O 3.39Å; F125-S223 VanDerWaalsContact CZ-O 3.29Å; F125-S223 WeakPolarHBondContact CZ-O 3.3Å; F125-I226 HydrophobicContact CB-CD1 3.78Å; F125-I226 HydrophobicContact CD2-CD1 3.23Å; F125-I226 HydrophobicContact CD2-CG1 4.11Å; F125-I226 HydrophobicContact CE2-CD1 3.87Å; F125-I226 HydrophobicContact CE2-CG1 4.28Å; F125-I226 HydrophobicContact CG-CD1 3.61Å; F125-E245 HydrophobicContact CD1-CB 4.32Å; F125-E245 HydrophobicContact CD1-CG 3.35Å; F125-E245 WeakPolarHBondContact CD1-OE1 3.36Å; F125-E245 HydrophobicContact CE1-CG 3.8Å; F125-E245 HydrophobicContact CG-CG 4.23Å |
| 126 | T | 52.8 | Low | 58.4 | Low | 82 Ų | 82 | 75.1 Ų | 75.1 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | trans | -74.7 | 107.6 | -158.9 | 39.2 | 0 | 0 | 0 | 0 | 112.9 | N128 K129 E245 | T126-N128 PolarHBondContact O-N 3.18Å; T126-K129 WeakPolarHBondContact OG1-CE 3.48Å; T126-K129 PolarHBondContact OG1-NZ 3.05Å; T126-E245 PolarHBondContact N-OE1 3.08Å; T126-E245 PolarHBondContact OG1-OE1 2.77Å; T126-E245 VanDerWaalsContact OG1-OE1 3.11Å | ||
| 127 | K | 48.9 | Very low | 59.9 | Low | 156 Ų | 156 | 75.8 Ų | 75.8 | 68% | 0.678 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -49.8 | -1.5 | -179.7 | -86.5 | -179.9 | 171.8 | -176.9 | 0 | 119.2 | G120 F125 | G120-K127 VanDerWaalsContact O-CE 3.24Å; G120-K127 WeakPolarHBondContact O-CE 3.38Å; G120-K127 PolarHBondContact O-NZ 3.25Å; F125-K127 PolarHBondContact O-N 3.39Å |
| 128 | N | 51.2 | Low | 61.5 | Low | 138 Ų | 138 | 79.4 Ų | 79.4 | 74% | 0.738 | 50% | 0.5 | S | S | * | . | trans | -131.5 | 49.8 | -169.6 | -70 | -28.6 | 0 | 0 | 0 | 113.2 | T126 S133 | T126-N128 PolarHBondContact O-N 3.18Å; N128-S133 PolarHBondContact O-OG 2.9Å; N128-S133 VanDerWaalsContact O-OG 3.13Å | ||
| 129 | K | 64.3 | Low | 63.2 | Low | 67 Ų | 67 | 83.2 Ų | 83.2 | 29% | 0.291 | 50% | 0.503 | S | S | . | . | trans | -110.9 | 67 | 174.4 | -69.6 | -179.5 | 177.7 | 161 | 0 | 110.4 | T126 Y228 Y230 E245 | T126-K129 WeakPolarHBondContact OG1-CE 3.48Å; T126-K129 PolarHBondContact OG1-NZ 3.05Å; K129-Y228 HydrophobicContact CD-CE2 4.41Å; K129-Y230 VanDerWaalsContact O-CE1 3.23Å; K129-Y230 WeakPolarHBondContact O-CE1 3.37Å; K129-Y230 PolarHBondContact O-OH 3.4Å; K129-E245 IonicContact NZ-OE1 3.79Å; K129-E245 PolarHBondContact NZ-OE1 2.74Å; K129-E245 IonicContact NZ-OE2 2.8Å; K129-E245 PolarHBondContact NZ-OE2 2.92Å | ||
| 130 | T | 80.6 | Confident | 65.4 | Low | 89 Ų | 89 | 76.7 Ų | 76.7 | 55% | 0.546 | 47% | 0.468 | S | S | . | . | trans | -78.9 | 156.8 | 164.3 | 57.5 | 0 | 0 | 0 | 0 | 108.9 | G132 S133 | T130-G132 PolarHBondContact O-N 2.82Å; T130-S133 PolarHBondContact N-OG 2.84Å; T130-S133 PolarHBondContact O-N 3.17Å; T130-S133 PolarHBondContact O-OG 2.79Å | ||
| 131 | L | 81.8 | Confident | 67.2 | Low | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -55.5 | -39.9 | 178 | -179.4 | 61.3 | 0 | 0 | 0 | 111.8 | S133 I134 L135 L137 W152 Y230 E232 L233 L241 | L131-S133 PolarHBondContact O-N 3.45Å; L131-I134 PolarHBondContact O-N 3.42Å; L131-L135 HydrophobicContact CD1-CB 4.27Å; L131-L135 PolarHBondContact O-N 2.89Å; L131-L137 HydrophobicContact CD2-CD2 3.9Å; L131-L137 HydrophobicContact CG-CD2 4.09Å; L131-W152 HydrophobicContact CD1-CH2 4.31Å; L131-W152 HydrophobicContact CD1-CZ3 3.96Å; L131-Y230 HydrophobicContact CB-CD1 3.94Å; L131-Y230 HydrophobicContact CB-CG 4.09Å; L131-Y230 HydrophobicContact CD1-CD2 4.3Å; L131-Y230 HydrophobicContact CD1-CG 4.14Å; L131-E232 HydrophobicContact CD2-CB 3.97Å; L131-E232 HydrophobicContact CD2-CG 4.47Å; L131-L233 HydrophobicContact CD2-CD1 4.02Å; L131-L233 HydrophobicContact CD2-CG 3.89Å; L131-L241 HydrophobicContact CD1-CD1 3.83Å |
| 132 | G | 78.7 | Confident | 69.3 | Low | 43 Ų | 43 | 85 Ų | 85 | 44% | 0.443 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -21.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T130 L135 | T130-G132 PolarHBondContact O-N 2.82Å; G132-L135 WeakPolarHBondContact CA-O 3.29Å |
| 133 | S | 81.8 | Confident | 71.7 | Confident | 73 Ų | 73 | 83.4 Ų | 83.4 | 51% | 0.51 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -81.6 | -21 | 173.9 | 75.1 | 0 | 0 | 0 | 0 | 112.9 | N128 T130 L131 | N128-S133 PolarHBondContact O-OG 2.9Å; N128-S133 VanDerWaalsContact O-OG 3.13Å; T130-S133 PolarHBondContact N-OG 2.84Å; T130-S133 PolarHBondContact O-N 3.17Å; T130-S133 PolarHBondContact O-OG 2.79Å; L131-S133 PolarHBondContact O-N 3.45Å |
| 134 | I | 82.7 | Confident | 74.2 | Confident | 35 Ų | 35 | 84 Ų | 84 | 18% | 0.179 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -95.4 | -41.6 | -179.4 | -57 | 171.9 | 0 | 0 | 0 | 110.6 | L131 W152 F155 Y230 | L131-I134 PolarHBondContact O-N 3.42Å; I134-W152 HydrophobicContact CB-CZ3 4.29Å; I134-W152 HydrophobicContact CD1-CH2 4.1Å; I134-W152 HydrophobicContact CG2-CH2 3.96Å; I134-W152 HydrophobicContact CG2-CZ3 3.57Å; I134-F155 HydrophobicContact CG2-CD1 4.25Å; I134-F155 HydrophobicContact CG2-CE1 3.5Å; I134-F155 HydrophobicContact CG2-CZ 4.02Å; I134-Y230 HydrophobicContact CD1-CE2 4.04Å; I134-Y230 WeakPolarHBondContact CD1-OH 3.43Å |
| 135 | L | 81.3 | Confident | 76.5 | Confident | 22 Ų | 22 | 79.9 Ų | 79.9 | 12% | 0.115 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -132.9 | 129 | -171.7 | -171.7 | 142.4 | 0 | 0 | 0 | 110.1 | L131 G132 L137 I140 W152 | L131-L135 HydrophobicContact CD1-CB 4.27Å; L131-L135 PolarHBondContact O-N 2.89Å; G132-L135 WeakPolarHBondContact CA-O 3.29Å; L135-L137 HydrophobicContact CD2-CD2 4.19Å; L135-L137 PolarHBondContact O-N 2.9Å; L135-L137 VanDerWaalsContact O-N 3.13Å; L135-I140 HydrophobicContact CD2-CB 4.18Å; L135-I140 HydrophobicContact CD2-CD1 3.21Å; L135-I140 HydrophobicContact CD2-CG1 3.5Å; L135-I140 VanDerWaalsContact CD2-CG1 3.5Å; L135-I140 HydrophobicContact CD2-CG2 3.7Å; L135-I140 HydrophobicContact CG-CG2 4.36Å; L135-W152 HydrophobicContact CD1-CE3 4.34Å |
| 136 | N | 82.4 | Confident | 78.5 | Confident | 78 Ų | 78 | 85.1 Ų | 85.1 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | trans | -74.6 | 106.2 | 178.5 | -174 | -24.8 | 0 | 0 | 0 | 110.1 | E138 M139 | N136-E138 VanDerWaalsContact C-N 3.25Å; N136-E138 PolarHBondContact O-N 3.33Å; N136-E138 WeakPolarHBondContact OD1-CB 3.28Å; N136-E138 PolarHBondContact OD1-N 3.42Å; N136-M139 HydrophobicContact CB-CB 4.46Å; N136-M139 HydrophobicContact CB-CE 4.23Å; N136-M139 HydrophobicContact CB-CG 4.12Å; N136-M139 PolarHBondContact O-N 2.86Å | ||
| 137 | L | 82 | Confident | 80.4 | Confident | 77 Ų | 77 | 85 Ų | 85 | 40% | 0.403 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.1 | -177.1 | -59.7 | -179.7 | 0 | 0 | 0 | 113.1 | L131 L135 I140 K141 L233 | L131-L137 HydrophobicContact CD2-CD2 3.9Å; L131-L137 HydrophobicContact CG-CD2 4.09Å; L135-L137 HydrophobicContact CD2-CD2 4.19Å; L135-L137 PolarHBondContact O-N 2.9Å; L135-L137 VanDerWaalsContact O-N 3.13Å; L137-I140 HydrophobicContact CD2-CD1 4.16Å; L137-I140 WeakPolarHBondContact O-CG1 3.5Å; L137-K141 PolarHBondContact O-N 3.36Å; L137-L233 HydrophobicContact CD2-CD2 4.5Å |
| 138 | E | 79.1 | Confident | 82.5 | Confident | 165 Ų | 165 | 77.6 Ų | 77.6 | 77% | 0.771 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -39.5 | 178.4 | -61.4 | -174.7 | 166.4 | 0 | 0 | 111.5 | N136 I140 K141 | N136-E138 VanDerWaalsContact C-N 3.25Å; N136-E138 PolarHBondContact O-N 3.33Å; N136-E138 WeakPolarHBondContact OD1-CB 3.28Å; N136-E138 PolarHBondContact OD1-N 3.42Å; E138-I140 VanDerWaalsContact C-N 3.27Å; E138-I140 PolarHBondContact O-N 2.98Å; E138-K141 WeakPolarHBondContact O-CB 3.33Å; E138-K141 PolarHBondContact O-N 3.47Å |
| 139 | M | 78.4 | Confident | 84.5 | Confident | 141 Ų | 141 | 72 Ų | 72 | 70% | 0.695 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.3 | -178.2 | -60 | -162.7 | -35.1 | 0 | 0 | 113.9 | N136 | N136-M139 HydrophobicContact CB-CB 4.46Å; N136-M139 HydrophobicContact CB-CE 4.23Å; N136-M139 HydrophobicContact CB-CG 4.12Å; N136-M139 PolarHBondContact O-N 2.86Å |
| 140 | I | 82.8 | Confident | 85.8 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 5% | 0.051 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 1.5 | -179.9 | 63.6 | 146.1 | 0 | 0 | 0 | 113.4 | L135 L137 E138 D142 K143 I148 L151 L233 | L135-I140 HydrophobicContact CD2-CB 4.18Å; L135-I140 HydrophobicContact CD2-CD1 3.21Å; L135-I140 HydrophobicContact CD2-CG1 3.5Å; L135-I140 VanDerWaalsContact CD2-CG1 3.5Å; L135-I140 HydrophobicContact CD2-CG2 3.7Å; L135-I140 HydrophobicContact CG-CG2 4.36Å; L137-I140 HydrophobicContact CD2-CD1 4.16Å; L137-I140 WeakPolarHBondContact O-CG1 3.5Å; E138-I140 VanDerWaalsContact C-N 3.27Å; E138-I140 PolarHBondContact O-N 2.98Å; I140-D142 PolarHBondContact O-N 2.98Å; I140-K143 HydrophobicContact CB-CD 4.38Å; I140-K143 HydrophobicContact CG2-CD 4.13Å; I140-K143 WeakPolarHBondContact O-CB 3.35Å; I140-K143 PolarHBondContact O-N 3.35Å; I140-I148 HydrophobicContact CB-CD1 4.26Å; I140-I148 HydrophobicContact CB-CG1 4.1Å; I140-I148 HydrophobicContact CD1-CD1 3.82Å; I140-I148 HydrophobicContact CD1-CG1 4.16Å; I140-I148 HydrophobicContact CD1-CG2 4.39Å; I140-L151 HydrophobicContact CG2-CD1 4.49Å; I140-L233 HydrophobicContact CD1-CD1 3.77Å; I140-L233 HydrophobicContact CD1-CD2 4.02Å |
| 141 | K | 83.6 | Confident | 86.3 | Confident | 150 Ų | 150 | 74.2 Ų | 74.2 | 65% | 0.652 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -40.9 | -177.6 | -170.5 | 176.9 | -179.1 | 179.5 | 0 | 112.5 | L137 E138 K143 K237 | L137-K141 PolarHBondContact O-N 3.36Å; E138-K141 WeakPolarHBondContact O-CB 3.33Å; E138-K141 PolarHBondContact O-N 3.47Å; K141-K143 VanDerWaalsContact C-N 3.33Å; K141-K237 PolarHBondContact O-NZ 3.45Å |
| 142 | D | 88.1 | Confident | 86.8 | Confident | 157 Ų | 157 | 74.3 Ų | 74.3 | 84% | 0.84 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.4 | -178.9 | -57.7 | -37.5 | 0 | 0 | 0 | 113.6 | I140 | I140-D142 PolarHBondContact O-N 2.98Š|
| 143 | K | 90.1 | Very high | 87.3 | Confident | 71 Ų | 71 | 76.4 Ų | 76.4 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -88.4 | 154.2 | -179.1 | -64.8 | -170.8 | 177.9 | -65.6 | 0 | 112.5 | I140 K141 E147 I148 L151 K237 | I140-K143 HydrophobicContact CB-CD 4.38Å; I140-K143 HydrophobicContact CG2-CD 4.13Å; I140-K143 WeakPolarHBondContact O-CB 3.35Å; I140-K143 PolarHBondContact O-N 3.35Å; K141-K143 VanDerWaalsContact C-N 3.33Å; K143-E147 WeakPolarHBondContact CA-OE2 3.43Å; K143-E147 HydrophobicContact CB-CB 4.21Å; K143-E147 WeakPolarHBondContact CB-OE2 3.38Å; K143-I148 HydrophobicContact CB-CD1 4.27Å; K143-I148 HydrophobicContact CB-CG1 3.89Å; K143-L151 HydrophobicContact CD-CD1 3.56Å; K143-K237 WeakPolarHBondContact O-CE 3.24Å; K143-K237 PolarHBondContact O-NZ 2.99Å |
| 144 | T | 93.6 | Very high | 87.7 | Confident | 71 Ų | 71 | 79.4 Ų | 79.4 | 44% | 0.436 | 39% | 0.393 | S | S | . | . | trans | -80.1 | 161.8 | 172.4 | 73 | 0 | 0 | 0 | 0 | 111.2 | E146 E147 I148 | T144-E146 PolarHBondContact O-N 2.87Å; T144-E147 PolarHBondContact N-OE2 2.96Å; T144-E147 PolarHBondContact O-N 2.87Å; T144-E147 WeakPolarHBondContact OG1-CG 3.31Å; T144-E147 PolarHBondContact OG1-N 2.8Å; T144-I148 WeakPolarHBondContact O-CD1 3.35Å; T144-I148 VanDerWaalsContact O-CG1 3.27Å; T144-I148 WeakPolarHBondContact O-CG1 3.36Å; T144-I148 PolarHBondContact O-N 3.3Å | ||
| 145 | G | 91.5 | Very high | 88 | Confident | 10 Ų | 10 | 82.1 Ų | 82.1 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.2 | -34.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | S149 | G145-S149 WeakPolarHBondContact O-CB 3.41Å; G145-S149 PolarHBondContact O-N 2.88Å; G145-S149 PolarHBondContact O-OG 3.19Å |
| 146 | E | 93.8 | Very high | 88.3 | Confident | 152 Ų | 152 | 82.1 Ų | 82.1 | 71% | 0.71 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.5 | -46.1 | 176.8 | -65.7 | 178.1 | 179 | 0 | 0 | 112 | T144 I148 S149 Q150 | T144-E146 PolarHBondContact O-N 2.87Å; E146-I148 VanDerWaalsContact C-N 3.33Å; E146-I148 PolarHBondContact O-N 3.2Å; E146-S149 WeakPolarHBondContact O-CB 3.45Å; E146-S149 PolarHBondContact O-N 2.87Å; E146-Q150 WeakPolarHBondContact O-CG 3.5Å; E146-Q150 PolarHBondContact O-N 3.4Å |
| 147 | E | 92.5 | Very high | 88.5 | Confident | 81 Ų | 81 | 82.6 Ų | 82.6 | 38% | 0.379 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.6 | -69.9 | 175.5 | 143.5 | 0 | 0 | 111.5 | K143 T144 S149 Q150 L151 | K143-E147 WeakPolarHBondContact CA-OE2 3.43Å; K143-E147 HydrophobicContact CB-CB 4.21Å; K143-E147 WeakPolarHBondContact CB-OE2 3.38Å; T144-E147 PolarHBondContact N-OE2 2.96Å; T144-E147 PolarHBondContact O-N 2.87Å; T144-E147 WeakPolarHBondContact OG1-CG 3.31Å; T144-E147 PolarHBondContact OG1-N 2.8Å; E147-S149 VanDerWaalsContact C-N 3.31Å; E147-S149 PolarHBondContact O-N 3.42Å; E147-Q150 PolarHBondContact O-N 3.44Å; E147-L151 WeakPolarHBondContact O-CG 3.44Å; E147-L151 PolarHBondContact O-N 2.81Å |
| 148 | I | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.1 | -66.8 | 164.5 | 0 | 0 | 0 | 110.3 | I140 K143 T144 E146 Q150 L151 W152 L233 K237 L241 | I140-I148 HydrophobicContact CB-CD1 4.26Å; I140-I148 HydrophobicContact CB-CG1 4.1Å; I140-I148 HydrophobicContact CD1-CD1 3.82Å; I140-I148 HydrophobicContact CD1-CG1 4.16Å; I140-I148 HydrophobicContact CD1-CG2 4.39Å; K143-I148 HydrophobicContact CB-CD1 4.27Å; K143-I148 HydrophobicContact CB-CG1 3.89Å; T144-I148 WeakPolarHBondContact O-CD1 3.35Å; T144-I148 VanDerWaalsContact O-CG1 3.27Å; T144-I148 WeakPolarHBondContact O-CG1 3.36Å; T144-I148 PolarHBondContact O-N 3.3Å; E146-I148 VanDerWaalsContact C-N 3.33Å; E146-I148 PolarHBondContact O-N 3.2Å; I148-Q150 VanDerWaalsContact C-N 3.34Å; I148-Q150 PolarHBondContact O-N 3.48Å; I148-L151 PolarHBondContact O-N 3.48Å; I148-W152 WeakPolarHBondContact O-CB 3.25Å; I148-W152 PolarHBondContact O-N 2.75Å; I148-L233 HydrophobicContact CD1-CD1 4.31Å; I148-L233 HydrophobicContact CG2-CD1 3.83Å; I148-K237 HydrophobicContact CD1-CB 4.45Å; I148-K237 HydrophobicContact CD1-CD 4.17Å; I148-K237 HydrophobicContact CD1-CG 3.92Å; I148-L241 HydrophobicContact CG2-CD1 4.05Å; I148-L241 HydrophobicContact CG2-CD2 4.47Å |
| 149 | S | 93.3 | Very high | 89.1 | Confident | 21 Ų | 21 | 81 Ų | 81 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 176.7 | -59 | 0 | 0 | 0 | 0 | 111.4 | G145 E146 E147 W152 M153 A165 | G145-S149 WeakPolarHBondContact O-CB 3.41Å; G145-S149 PolarHBondContact O-N 2.88Å; G145-S149 PolarHBondContact O-OG 3.19Å; E146-S149 WeakPolarHBondContact O-CB 3.45Å; E146-S149 PolarHBondContact O-N 2.87Å; E147-S149 VanDerWaalsContact C-N 3.31Å; E147-S149 PolarHBondContact O-N 3.42Å; S149-W152 WeakPolarHBondContact O-CB 3.3Å; S149-W152 PolarHBondContact O-N 3.36Å; S149-M153 VanDerWaalsContact O-CG 3.3Å; S149-M153 WeakPolarHBondContact O-CG 3.41Å; S149-M153 PolarHBondContact O-N 3.08Å; S149-A165 WeakPolarHBondContact OG-CB 3.49Å |
| 150 | Q | 92.2 | Very high | 89.6 | Confident | 135 Ų | 135 | 81.1 Ų | 81.1 | 63% | 0.631 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.5 | -45.4 | 176.4 | -70.5 | 175.4 | 6.7 | 0 | 0 | 111.9 | E146 E147 I148 W152 M153 Q154 | E146-Q150 WeakPolarHBondContact O-CG 3.5Å; E146-Q150 PolarHBondContact O-N 3.4Å; E147-Q150 PolarHBondContact O-N 3.44Å; I148-Q150 VanDerWaalsContact C-N 3.34Å; I148-Q150 PolarHBondContact O-N 3.48Å; Q150-W152 VanDerWaalsContact C-N 3.3Å; Q150-W152 PolarHBondContact O-N 3.19Å; Q150-M153 PolarHBondContact O-N 3.09Å; Q150-Q154 WeakPolarHBondContact O-CB 3.43Å; Q150-Q154 PolarHBondContact O-N 2.7Å |
| 151 | L | 90.4 | Very high | 90 | Very high | 67 Ų | 67 | 81.8 Ų | 81.8 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 176.4 | -71 | 170.7 | 0 | 0 | 0 | 111.7 | I140 K143 E147 I148 Q154 F155 | I140-L151 HydrophobicContact CG2-CD1 4.49Å; K143-L151 HydrophobicContact CD-CD1 3.56Å; E147-L151 WeakPolarHBondContact O-CG 3.44Å; E147-L151 PolarHBondContact O-N 2.81Å; I148-L151 PolarHBondContact O-N 3.48Å; L151-Q154 PolarHBondContact O-N 2.88Å; L151-F155 WeakPolarHBondContact O-CB 3.26Å; L151-F155 PolarHBondContact O-N 3.11Å |
| 152 | W | 92.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 74.9 Ų | 74.9 | 0% | 0.004 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61 | -51.1 | 177 | -174.8 | -106.3 | 0 | 0 | 0 | 111.7 | L131 I134 L135 I148 S149 Q150 Q154 F155 Y156 A164 Y230 L241 M242 T243 | L131-W152 HydrophobicContact CD1-CH2 4.31Å; L131-W152 HydrophobicContact CD1-CZ3 3.96Å; I134-W152 HydrophobicContact CB-CZ3 4.29Å; I134-W152 HydrophobicContact CD1-CH2 4.1Å; I134-W152 HydrophobicContact CG2-CH2 3.96Å; I134-W152 HydrophobicContact CG2-CZ3 3.57Å; L135-W152 HydrophobicContact CD1-CE3 4.34Å; I148-W152 WeakPolarHBondContact O-CB 3.25Å; I148-W152 PolarHBondContact O-N 2.75Å; S149-W152 WeakPolarHBondContact O-CB 3.3Å; S149-W152 PolarHBondContact O-N 3.36Å; Q150-W152 VanDerWaalsContact C-N 3.3Å; Q150-W152 PolarHBondContact O-N 3.19Å; W152-Q154 VanDerWaalsContact C-N 3.31Å; W152-Q154 PolarHBondContact O-N 3.29Å; W152-F155 PolarHBondContact O-N 3.27Å; W152-Y156 HydrophobicContact CD2-CD2 4.08Å; W152-Y156 AromaticContact CD2-CE2 3.91Å; W152-Y156 HydrophobicContact CD2-CE2 3.91Å; W152-Y156 AromaticContact CE2-CD2 3.88Å; W152-Y156 AromaticContact CE2-CE2 3.57Å; W152-Y156 HydrophobicContact CE3-CE2 4.04Å; W152-Y156 HydrophobicContact CG-CD2 4.49Å; W152-Y156 AromaticContact CH2-CE2 3.63Å; W152-Y156 HydrophobicContact CH2-CE2 3.63Å; W152-Y156 HydrophobicContact CZ2-CD2 4.21Å; W152-Y156 AromaticContact CZ2-CE2 3.45Å; W152-Y156 HydrophobicContact CZ2-CE2 3.45Å; W152-Y156 VanDerWaalsContact CZ2-CE2 3.45Å; W152-Y156 AromaticContact CZ3-CE2 3.92Å; W152-Y156 HydrophobicContact CZ3-CE2 3.92Å; W152-Y156 WeakPolarHBondContact O-CD2 3.47Å; W152-Y156 PolarHBondContact O-N 3.19Å; W152-A164 PolarHBondContact NE1-O 2.83Å; W152-Y230 AromaticContact CH2-CD2 3.86Å; W152-Y230 HydrophobicContact CH2-CD2 3.86Å; W152-Y230 AromaticContact CH2-CE2 3.72Å; W152-Y230 HydrophobicContact CH2-CE2 3.72Å; W152-Y230 HydrophobicContact CZ2-CD2 4.03Å; W152-Y230 AromaticContact CZ2-CE2 3.96Å; W152-Y230 HydrophobicContact CZ2-CE2 3.96Å; W152-L241 HydrophobicContact CB-CD2 3.99Å; W152-L241 HydrophobicContact CD2-CB 4.1Å; W152-L241 HydrophobicContact CD2-CD1 3.98Å; W152-L241 HydrophobicContact CD2-CD2 4.22Å; W152-L241 HydrophobicContact CD2-CG 4.33Å; W152-L241 HydrophobicContact CE3-CB 4.46Å; W152-L241 HydrophobicContact CE3-CD1 3.77Å; W152-L241 HydrophobicContact CG-CD1 4.36Å; W152-L241 HydrophobicContact CG-CD2 3.85Å; W152-L241 HydrophobicContact CG-CG 4.46Å; W152-L241 HydrophobicContact CH2-CB 4.39Å; W152-L241 HydrophobicContact CZ2-CB 4.03Å; W152-L241 HydrophobicContact CZ3-CD1 4.19Å; W152-M242 PolarHBondContact NE1-O 3.46Å; W152-T243 HydrophobicContact CZ2-CG2 4.27Å |
| 153 | M | 90.9 | Very high | 90.7 | Very high | 88 Ų | 88 | 68.3 Ų | 68.3 | 43% | 0.433 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.9 | -66 | -57.2 | -64.6 | 0 | 0 | 111.5 | S149 Q150 Y156 S157 | S149-M153 VanDerWaalsContact O-CG 3.3Å; S149-M153 WeakPolarHBondContact O-CG 3.41Å; S149-M153 PolarHBondContact O-N 3.08Å; Q150-M153 PolarHBondContact O-N 3.09Å; M153-Y156 PolarHBondContact O-N 2.9Å; M153-S157 WeakPolarHBondContact O-CB 3.24Å; M153-S157 PolarHBondContact O-N 3.32Å |
| 154 | Q | 89.4 | Confident | 91 | Very high | 135 Ų | 135 | 66.4 Ų | 66.4 | 63% | 0.631 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 177.5 | -173.9 | 176.8 | -3.7 | 0 | 0 | 111.9 | Q150 L151 W152 Y156 S157 | Q150-Q154 WeakPolarHBondContact O-CB 3.43Å; Q150-Q154 PolarHBondContact O-N 2.7Å; L151-Q154 PolarHBondContact O-N 2.88Å; W152-Q154 VanDerWaalsContact C-N 3.31Å; W152-Q154 PolarHBondContact O-N 3.29Å; Q154-Y156 VanDerWaalsContact C-N 3.28Å; Q154-Y156 PolarHBondContact O-N 3.31Å; Q154-S157 WeakPolarHBondContact O-CB 3.47Å; Q154-S157 PolarHBondContact O-N 2.76Å; Q154-S157 PolarHBondContact O-OG 3.2Å |
| 155 | F | 88 | Confident | 91.1 | Very high | 93 Ų | 93 | 64.7 Ų | 64.7 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -33.2 | 178.9 | 174.8 | -104.6 | 0 | 0 | 0 | 113.3 | I134 L151 W152 | I134-F155 HydrophobicContact CG2-CD1 4.25Å; I134-F155 HydrophobicContact CG2-CE1 3.5Å; I134-F155 HydrophobicContact CG2-CZ 4.02Å; L151-F155 WeakPolarHBondContact O-CB 3.26Å; L151-F155 PolarHBondContact O-N 3.11Å; W152-F155 PolarHBondContact O-N 3.27Å |
| 156 | Y | 88.1 | Confident | 91.3 | Very high | 22 Ų | 22 | 65.3 Ų | 65.3 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -93.5 | -7.4 | 177.7 | -78.1 | -75.7 | 0 | 0 | 0 | 114.1 | W152 M153 Q154 T158 K159 T161 S163 T243 | W152-Y156 HydrophobicContact CD2-CD2 4.08Å; W152-Y156 AromaticContact CD2-CE2 3.91Å; W152-Y156 HydrophobicContact CD2-CE2 3.91Å; W152-Y156 AromaticContact CE2-CD2 3.88Å; W152-Y156 AromaticContact CE2-CE2 3.57Å; W152-Y156 HydrophobicContact CE3-CE2 4.04Å; W152-Y156 HydrophobicContact CG-CD2 4.49Å; W152-Y156 AromaticContact CH2-CE2 3.63Å; W152-Y156 HydrophobicContact CH2-CE2 3.63Å; W152-Y156 HydrophobicContact CZ2-CD2 4.21Å; W152-Y156 AromaticContact CZ2-CE2 3.45Å; W152-Y156 HydrophobicContact CZ2-CE2 3.45Å; W152-Y156 VanDerWaalsContact CZ2-CE2 3.45Å; W152-Y156 AromaticContact CZ3-CE2 3.92Å; W152-Y156 HydrophobicContact CZ3-CE2 3.92Å; W152-Y156 WeakPolarHBondContact O-CD2 3.47Å; W152-Y156 PolarHBondContact O-N 3.19Å; M153-Y156 PolarHBondContact O-N 2.9Å; Q154-Y156 VanDerWaalsContact C-N 3.28Å; Q154-Y156 PolarHBondContact O-N 3.31Å; Y156-T158 PolarHBondContact O-N 3.24Å; Y156-T158 VanDerWaalsContact O-N 3.12Å; Y156-K159 HydrophobicContact CD1-CB 4.25Å; Y156-K159 HydrophobicContact CD1-CD 3.6Å; Y156-K159 HydrophobicContact CD1-CG 4.46Å; Y156-K159 HydrophobicContact CE1-CD 3.88Å; Y156-K159 HydrophobicContact CG-CD 4.47Å; Y156-K159 PolarHBondContact O-N 2.87Å; Y156-T161 HydrophobicContact CD1-CG2 3.3Å; Y156-T161 HydrophobicContact CE1-CG2 3.68Å; Y156-T161 HydrophobicContact CG-CG2 4.36Å; Y156-S163 VanDerWaalsContact CB-OG 3.28Å; Y156-S163 WeakPolarHBondContact CB-OG 3.39Å; Y156-T243 WeakPolarHBondContact CE1-OG1 3.28Å; Y156-T243 VanDerWaalsContact CZ-OG1 3.23Å; Y156-T243 PolarHBondContact OH-OG1 2.99Å |
| 157 | S | 87.4 | Confident | 91.4 | Very high | 87 Ų | 87 | 62 Ų | 62 | 61% | 0.608 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -27.1 | -177.2 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | M153 Q154 | M153-S157 WeakPolarHBondContact O-CB 3.24Å; M153-S157 PolarHBondContact O-N 3.32Å; Q154-S157 WeakPolarHBondContact O-CB 3.47Å; Q154-S157 PolarHBondContact O-N 2.76Å; Q154-S157 PolarHBondContact O-OG 3.2Å |
| 158 | T | 85 | Confident | 91.5 | Very high | 125 Ų | 125 | 58.9 Ų | 58.9 | 77% | 0.767 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 1.7 | 179.7 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | Y156 | Y156-T158 PolarHBondContact O-N 3.24Å; Y156-T158 VanDerWaalsContact O-N 3.12Å |
| 159 | K | 88.2 | Confident | 91.6 | Very high | 85 Ų | 85 | 66.6 Ų | 66.6 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -103.9 | 142.3 | -176.4 | -63.6 | -178.2 | -179.7 | 178 | 0 | 109.9 | Y156 T161 | Y156-K159 HydrophobicContact CD1-CB 4.25Å; Y156-K159 HydrophobicContact CD1-CD 3.6Å; Y156-K159 HydrophobicContact CD1-CG 4.46Å; Y156-K159 HydrophobicContact CE1-CD 3.88Å; Y156-K159 HydrophobicContact CG-CD 4.47Å; Y156-K159 PolarHBondContact O-N 2.87Å; K159-T161 HydrophobicContact CB-CG2 4.02Å; K159-T161 PolarHBondContact O-N 2.97Å |
| 160 | D | 88.1 | Confident | 91.7 | Very high | 143 Ų | 143 | 68.7 Ų | 68.7 | 77% | 0.765 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -76.1 | 67.9 | 171.3 | -65.3 | -39.6 | 0 | 0 | 0 | 110.2 | M246 V253 | D160-M246 WeakPolarHBondContact O-CE 3.4Å; D160-V253 HydrophobicContact CB-CG2 4.48Å |
| 161 | T | 91.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 62.4 Ų | 62.4 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -156 | 163.3 | 173.1 | -172.6 | 0 | 0 | 0 | 0 | 110.5 | Y156 K159 A244 | Y156-T161 HydrophobicContact CD1-CG2 3.3Å; Y156-T161 HydrophobicContact CE1-CG2 3.68Å; Y156-T161 HydrophobicContact CG-CG2 4.36Å; K159-T161 HydrophobicContact CB-CG2 4.02Å; K159-T161 PolarHBondContact O-N 2.97Å; T161-A244 PolarHBondContact OG1-O 2.82Å |
| 162 | I | 93.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | trans | -88.6 | 146.3 | 172.8 | 63.2 | 167.6 | 0 | 0 | 0 | 110.7 | L227 M242 T243 A244 V253 A256 Q257 A260 | I162-L227 HydrophobicContact CD1-CD2 3.8Å; I162-L227 HydrophobicContact CG1-CD2 4.44Å; I162-M242 HydrophobicContact CD1-CE 4.19Å; I162-M242 HydrophobicContact CG1-CE 4.07Å; I162-T243 WeakPolarHBondContact O-CA 3.36Å; I162-T243 PolarHBondContact O-OG1 2.78Å; I162-A244 HydrophobicContact CD1-CB 4.08Å; I162-A244 HydrophobicContact CG1-CB 3.35Å; I162-A244 PolarHBondContact O-N 3Å; I162-A244 VanDerWaalsContact O-N 3.11Å; I162-V253 HydrophobicContact CG2-CG1 3.78Å; I162-A256 HydrophobicContact CD1-CB 4.27Å; I162-A256 HydrophobicContact CG2-CB 4.34Å; I162-Q257 HydrophobicContact CG2-CB 4.08Å; I162-A260 HydrophobicContact CD1-CB 3.64Å | ||
| 163 | S | 94 | Very high | 92.3 | Very high | 19 Ų | 19 | 65.9 Ų | 65.9 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149.5 | 175.6 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | Y156 M242 | Y156-S163 VanDerWaalsContact CB-OG 3.28Å; Y156-S163 WeakPolarHBondContact CB-OG 3.39Å; S163-M242 VanDerWaalsContact CA-O 3.29Å; S163-M242 WeakPolarHBondContact CA-O 3.27Å |
| 164 | A | 94.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 62 Ų | 62 | 26% | 0.256 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 156.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | W152 I166 M242 | W152-A164 PolarHBondContact NE1-O 2.83Å; A164-I166 HydrophobicContact CB-CG1 4.45Å; A164-M242 HydrophobicContact CB-CB 4.35Å; A164-M242 HydrophobicContact CB-CE 3.95Å; A164-M242 HydrophobicContact CB-SD 4.34Å; A164-M242 PolarHBondContact N-O 3.33Å; A164-M242 PolarHBondContact O-N 3.46Å |
| 165 | A | 95.7 | Very high | 92.8 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | S149 L241 | S149-A165 WeakPolarHBondContact OG-CB 3.49Å; A165-L241 HydrophobicContact CB-CD2 4.02Å |
| 166 | I | 95.9 | Very high | 93.1 | Very high | 24 Ų | 24 | 57 Ų | 57 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.3 | -172 | -53.8 | 172 | 0 | 0 | 0 | 108.2 | A164 M170 V240 M242 | A164-I166 HydrophobicContact CB-CG1 4.45Å; I166-M170 HydrophobicContact CG2-CB 4.1Å; I166-M170 HydrophobicContact CG2-CG 4.12Å; I166-V240 HydrophobicContact CB-CB 4.4Å; I166-V240 PolarHBondContact N-O 3.44Å; I166-V240 PolarHBondContact O-N 3.01Å; I166-M242 HydrophobicContact CD1-CB 4Å; I166-M242 HydrophobicContact CD1-CG 4.49Å |
| 167 | P | 96.3 | Very high | 93.5 | Very high | 82 Ų | 82 | 58 Ų | 58 | 53% | 0.532 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 140.2 | 174.9 | -24.7 | 34.3 | 0 | 0 | 0 | 112 | Q169 M170 Y171 | P167-Q169 VanDerWaalsContact C-N 3.28Å; P167-Q169 PolarHBondContact O-N 2.89Å; P167-M170 HydrophobicContact CB-CB 4.47Å; P167-M170 WeakPolarHBondContact O-CB 3.34Å; P167-M170 PolarHBondContact O-N 2.8Å; P167-Y171 PolarHBondContact O-N 2.9Å; P167-Y171 VanDerWaalsContact O-N 3.08Å |
| 168 | S | 95.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 54 Ų | 54 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -51.1 | -45.3 | -177.3 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | M170 Y171 E172 K234 G238 V239 | S168-M170 VanDerWaalsContact C-N 3.31Å; S168-M170 PolarHBondContact O-N 2.67Å; S168-Y171 PolarHBondContact O-N 3.11Å; S168-E172 WeakPolarHBondContact O-CG 3.37Å; S168-E172 PolarHBondContact O-N 3.43Å; S168-K234 VanDerWaalsContact CB-CG 3.49Å; S168-K234 WeakPolarHBondContact OG-CG 3.38Å; S168-K234 PolarHBondContact OG-O 3.42Å; S168-G238 PolarHBondContact N-O 2.71Å; S168-G238 WeakPolarHBondContact OG-CA 3.26Å; S168-G238 PolarHBondContact OG-O 2.91Å; S168-G238 VanDerWaalsContact OG-O 3.07Å; S168-V239 PolarHBondContact OG-N 2.87Å |
| 169 | Q | 93.9 | Very high | 94.2 | Very high | 163 Ų | 163 | 55 Ų | 55 | 76% | 0.762 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.1 | -39 | -179.3 | -63.2 | 175.4 | 17 | 0 | 0 | 112.5 | P167 V173 | P167-Q169 VanDerWaalsContact C-N 3.28Å; P167-Q169 PolarHBondContact O-N 2.89Å; Q169-V173 WeakPolarHBondContact O-CG2 3.11Å; Q169-V173 PolarHBondContact O-N 3.37Å |
| 170 | M | 94.6 | Very high | 94.5 | Very high | 64 Ų | 64 | 54.4 Ų | 54.4 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 177.8 | -177 | 66.2 | 65.9 | 0 | 0 | 110.5 | I166 P167 S168 E172 V173 I174 | I166-M170 HydrophobicContact CG2-CB 4.1Å; I166-M170 HydrophobicContact CG2-CG 4.12Å; P167-M170 HydrophobicContact CB-CB 4.47Å; P167-M170 WeakPolarHBondContact O-CB 3.34Å; P167-M170 PolarHBondContact O-N 2.8Å; S168-M170 VanDerWaalsContact C-N 3.31Å; S168-M170 PolarHBondContact O-N 2.67Å; M170-E172 VanDerWaalsContact C-N 3.34Å; M170-E172 PolarHBondContact O-N 3.41Å; M170-V173 PolarHBondContact O-N 3.22Å; M170-I174 HydrophobicContact CG-CD1 4.22Å; M170-I174 WeakPolarHBondContact O-CG1 3.4Å; M170-I174 PolarHBondContact O-N 3.04Å |
| 171 | Y | 96.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.2 | -36.2 | -180 | -173.3 | -105.7 | 0 | 0 | 0 | 112.4 | P167 S168 V173 I174 F175 H204 H229 P231 V240 | P167-Y171 PolarHBondContact O-N 2.9Å; P167-Y171 VanDerWaalsContact O-N 3.08Å; S168-Y171 PolarHBondContact O-N 3.11Å; Y171-V173 VanDerWaalsContact C-N 3.32Å; Y171-V173 PolarHBondContact O-N 3.36Å; Y171-I174 PolarHBondContact O-N 3.15Å; Y171-F175 HydrophobicContact CD1-CB 4.41Å; Y171-F175 HydrophobicContact CE1-CB 4.1Å; Y171-F175 HydrophobicContact CE1-CG 4.33Å; Y171-F175 VanDerWaalsContact O-CB 3.24Å; Y171-F175 WeakPolarHBondContact O-CB 3.35Å; Y171-F175 PolarHBondContact O-N 3.2Å; Y171-H204 AromaticContact CE1-ND1 4Å; Y171-H204 AromaticContact CZ-ND1 3.86Å; Y171-H204 PolarHBondContact OH-ND1 3.1Å; Y171-H229 AromaticContact CD2-CD2 3.95Å; Y171-H229 HydrophobicContact CE2-CB 3.59Å; Y171-H229 AromaticContact CE2-CD2 3.38Å; Y171-H229 WeakPolarHBondContact CE2-CD2 3.22Å; Y171-H229 AromaticContact CE2-CG 3.51Å; Y171-H229 VanDerWaalsContact OH-CB 3.32Å; Y171-H229 WeakPolarHBondContact OH-CB 3.46Å; Y171-P231 HydrophobicContact CE1-CB 4.34Å; Y171-V240 HydrophobicContact CD1-CB 4.32Å; Y171-V240 HydrophobicContact CD1-CG1 4.01Å; Y171-V240 HydrophobicContact CD1-CG2 3.7Å; Y171-V240 HydrophobicContact CD2-CG1 3.98Å; Y171-V240 HydrophobicContact CE1-CG1 4.18Å; Y171-V240 HydrophobicContact CE1-CG2 4.47Å; Y171-V240 HydrophobicContact CE2-CG1 4.18Å; Y171-V240 HydrophobicContact CG-CB 4.07Å; Y171-V240 HydrophobicContact CG-CG1 3.89Å; Y171-V240 HydrophobicContact CG-CG2 3.82Å |
| 172 | E | 95.1 | Very high | 95 | Very high | 86 Ų | 86 | 47.6 Ų | 47.6 | 40% | 0.402 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 176 | -77.9 | 176 | 179.7 | 0 | 0 | 112.6 | S168 M170 F175 S176 K234 | S168-E172 WeakPolarHBondContact O-CG 3.37Å; S168-E172 PolarHBondContact O-N 3.43Å; M170-E172 VanDerWaalsContact C-N 3.34Å; M170-E172 PolarHBondContact O-N 3.41Å; E172-F175 PolarHBondContact O-N 2.99Å; E172-S176 VanDerWaalsContact O-CB 3.27Å; E172-S176 WeakPolarHBondContact O-CB 3.28Å; E172-S176 PolarHBondContact O-N 2.92Å; E172-K234 HydrophobicContact CG-CD 4.2Å; E172-K234 IonicContact OE1-NZ 3.06Å; E172-K234 PolarHBondContact OE1-NZ 3.23Å |
| 173 | V | 95.5 | Very high | 95 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 34% | 0.339 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | Q169 M170 Y171 F175 S176 R177 | Q169-V173 WeakPolarHBondContact O-CG2 3.11Å; Q169-V173 PolarHBondContact O-N 3.37Å; M170-V173 PolarHBondContact O-N 3.22Å; Y171-V173 VanDerWaalsContact C-N 3.32Å; Y171-V173 PolarHBondContact O-N 3.36Å; V173-F175 VanDerWaalsContact C-N 3.34Å; V173-F175 PolarHBondContact O-N 3.27Å; V173-S176 PolarHBondContact O-N 3.41Å; V173-R177 WeakPolarHBondContact O-CB 3.46Å; V173-R177 VanDerWaalsContact O-CG 3.32Å; V173-R177 WeakPolarHBondContact O-CG 3.32Å; V173-R177 PolarHBondContact O-N 3.4Å; V173-R177 VanDerWaalsContact O-N 3.1Å |
| 174 | I | 96.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58 | -49.1 | 178 | -67.5 | 169.2 | 0 | 0 | 0 | 110.4 | M170 Y171 R177 S178 W201 V263 | M170-I174 HydrophobicContact CG-CD1 4.22Å; M170-I174 WeakPolarHBondContact O-CG1 3.4Å; M170-I174 PolarHBondContact O-N 3.04Å; Y171-I174 PolarHBondContact O-N 3.15Å; I174-R177 PolarHBondContact O-N 3.41Å; I174-S178 WeakPolarHBondContact O-CB 3.46Å; I174-S178 PolarHBondContact O-N 3.35Å; I174-S178 PolarHBondContact O-OG 3Å; I174-W201 HydrophobicContact CG2-CH2 3.82Å; I174-W201 HydrophobicContact CG2-CZ2 3.67Å; I174-V263 HydrophobicContact CG2-CG1 4.48Å |
| 175 | F | 95.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 20% | 0.197 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.4 | -36.9 | -175.7 | -174.1 | -117.5 | 0 | 0 | 0 | 113 | Y171 E172 V173 R177 S178 K179 R203 H204 | Y171-F175 HydrophobicContact CD1-CB 4.41Å; Y171-F175 HydrophobicContact CE1-CB 4.1Å; Y171-F175 HydrophobicContact CE1-CG 4.33Å; Y171-F175 VanDerWaalsContact O-CB 3.24Å; Y171-F175 WeakPolarHBondContact O-CB 3.35Å; Y171-F175 PolarHBondContact O-N 3.2Å; E172-F175 PolarHBondContact O-N 2.99Å; V173-F175 VanDerWaalsContact C-N 3.34Å; V173-F175 PolarHBondContact O-N 3.27Å; F175-R177 VanDerWaalsContact C-N 3.31Å; F175-S178 WeakPolarHBondContact CA-OG 3.47Å; F175-S178 PolarHBondContact O-OG 2.67Å; F175-K179 HydrophobicContact CE1-CD 4.47Å; F175-K179 VanDerWaalsContact CZ-CE 3.41Å; F175-K179 WeakPolarHBondContact O-CG 3.08Å; F175-K179 PolarHBondContact O-N 3.25Å; F175-R203 WeakPolarHBondContact CE2-O 3.2Å; F175-H204 AromaticContact CD2-CE1 3.98Å; F175-H204 AromaticContact CD2-ND1 3.86Å; F175-H204 AromaticContact CE1-CE1 3.86Å; F175-H204 AromaticContact CE2-CE1 3.35Å; F175-H204 WeakPolarHBondContact CE2-CE1 3.3Å; F175-H204 AromaticContact CE2-ND1 3.47Å; F175-H204 WeakPolarHBondContact CE2-ND1 3.42Å; F175-H204 AromaticContact CZ-CE1 3.28Å; F175-H204 WeakPolarHBondContact CZ-CE1 3.38Å; F175-H204 AromaticContact CZ-ND1 3.91Å; F175-H204 AromaticContact CZ-NE2 3.92Å |
| 176 | S | 95.3 | Very high | 95.2 | Very high | 77 Ų | 77 | 43.8 Ų | 43.8 | 54% | 0.538 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.9 | -41 | 174 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | E172 V173 | E172-S176 VanDerWaalsContact O-CB 3.27Å; E172-S176 WeakPolarHBondContact O-CB 3.28Å; E172-S176 PolarHBondContact O-N 2.92Å; V173-S176 PolarHBondContact O-N 3.41Å |
| 177 | R | 95.4 | Very high | 95.2 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.2 | -36.5 | 179.8 | -76.2 | 174.7 | 169.2 | 177.4 | -3.6 | 112.6 | V173 I174 F175 K179 S180 C181 Y267 T269 Y275 | V173-R177 WeakPolarHBondContact O-CB 3.46Å; V173-R177 VanDerWaalsContact O-CG 3.32Å; V173-R177 WeakPolarHBondContact O-CG 3.32Å; V173-R177 PolarHBondContact O-N 3.4Å; V173-R177 VanDerWaalsContact O-N 3.1Å; I174-R177 PolarHBondContact O-N 3.41Å; F175-R177 VanDerWaalsContact C-N 3.31Å; R177-K179 VanDerWaalsContact C-N 3.28Å; R177-K179 PolarHBondContact O-N 3.34Å; R177-S180 PolarHBondContact O-N 3.45Å; R177-C181 PolarHBondContact O-N 3.48Å; R177-Y267 HydrophobicContact CB-CD1 3.81Å; R177-Y267 HydrophobicContact CB-CE1 4.45Å; R177-Y267 WeakPolarHBondContact CD-O 3.32Å; R177-Y267 PolarHBondContact NH1-O 3.18Å; R177-T269 PolarHBondContact NH1-O 2.89Å; R177-T269 PolarHBondContact NH2-O 2.93Å; R177-Y275 WeakPolarHBondContact CA-OH 3.23Å; R177-Y275 HydrophobicContact CB-CD2 4.26Å; R177-Y275 HydrophobicContact CB-CE2 3.48Å; R177-Y275 VanDerWaalsContact CB-CE2 3.48Å; R177-Y275 HydrophobicContact CG-CD1 4.4Å; R177-Y275 HydrophobicContact CG-CD2 4.1Å; R177-Y275 HydrophobicContact CG-CE1 3.88Å; R177-Y275 HydrophobicContact CG-CE2 3.59Å; R177-Y275 HydrophobicContact CG-CG 4.49Å; R177-Y275 VanDerWaalsContact CG-CZ 3.44Å; R177-Y275 PolarHBondContact O-OH 2.88Å |
| 178 | S | 94.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.8 | -26.7 | 177.4 | 68.5 | 0 | 0 | 0 | 0 | 113.5 | I174 F175 C181 P182 W201 | I174-S178 WeakPolarHBondContact O-CB 3.46Å; I174-S178 PolarHBondContact O-N 3.35Å; I174-S178 PolarHBondContact O-OG 3Å; F175-S178 WeakPolarHBondContact CA-OG 3.47Å; F175-S178 PolarHBondContact O-OG 2.67Å; S178-C181 CarbonylContact O-C 3.22Å; S178-C181 VanDerWaalsContact O-C 3.29Å; S178-P182 WeakPolarHBondContact O-CA 3.4Å; S178-W201 VanDerWaalsContact CB-CD1 3.48Å |
| 179 | K | 93.6 | Very high | 94.9 | Very high | 144 Ų | 144 | 39 Ų | 39 | 63% | 0.626 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -65.2 | -42.1 | 173.5 | -75.9 | 179.2 | 179.4 | -179.2 | 0 | 113 | F175 R177 | F175-K179 HydrophobicContact CE1-CD 4.47Å; F175-K179 VanDerWaalsContact CZ-CE 3.41Å; F175-K179 WeakPolarHBondContact O-CG 3.08Å; F175-K179 PolarHBondContact O-N 3.25Å; R177-K179 VanDerWaalsContact C-N 3.28Å; R177-K179 PolarHBondContact O-N 3.34Å |
| 180 | S | 93.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 34.4 Ų | 34.4 | 51% | 0.51 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -80.1 | -33.9 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 112 | R177 H283 | R177-S180 PolarHBondContact O-N 3.45Å; S180-H283 PolarHBondContact O-CE1 2.99Å |
| 181 | C | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -128.4 | 83.3 | -177.1 | -61 | 0 | 0 | 0 | 0 | 109.3 | R177 S178 M183 Y267 Y275 V278 N282 | R177-C181 PolarHBondContact O-N 3.48Å; S178-C181 CarbonylContact O-C 3.22Å; S178-C181 VanDerWaalsContact O-C 3.29Å; C181-M183 VanDerWaalsContact C-N 3.33Å; C181-M183 PolarHBondContact O-N 3.45Å; C181-Y267 WeakPolarHBondContact O-CE1 3.3Å; C181-Y267 PolarHBondContact O-OH 2.92Å; C181-Y275 PolarHBondContact SG-OH 2.87Å; C181-V278 HydrophobicContact CB-CG1 3.66Å; C181-N282 HydrophobicContact CB-CB 4.16Å; C181-N282 WeakPolarHBondContact CB-ND2 3.33Å | ||
| 182 | P | 95.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | trans | -78.2 | -14.8 | -173.5 | 29.8 | -35.6 | 0 | 0 | 0 | 113.7 | F109 S178 Q200 W201 N282 | F109-P182 HydrophobicContact CE1-CB 4.28Å; F109-P182 HydrophobicContact CE1-CG 4.29Å; F109-P182 HydrophobicContact CZ-CB 4.39Å; S178-P182 WeakPolarHBondContact O-CA 3.4Å; P182-Q200 WeakPolarHBondContact O-CA 3.39Å; P182-W201 HydrophobicContact CB-CB 4.42Å; P182-W201 PolarHBondContact O-N 3.37Å; P182-N282 WeakPolarHBondContact CD-OD1 3.07Å | ||
| 183 | M | 94.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.4 | -175.6 | -63.1 | -171.9 | -67.6 | 0 | 0 | 112 | M105 E106 C181 G199 Q200 F281 N282 | M105-M183 HydrophobicContact CB-CE 4.45Å; M105-M183 HydrophobicContact CB-SD 4.06Å; E106-M183 HydrophobicContact CB-CE 3.71Å; E106-M183 HydrophobicContact CG-CE 4.04Å; C181-M183 VanDerWaalsContact C-N 3.33Å; C181-M183 PolarHBondContact O-N 3.45Å; M183-G199 CarbonylContact C-O 3.58Å; M183-G199 WeakPolarHBondContact CA-O 3.22Å; M183-Q200 HydrophobicContact CG-CB 4.44Å; M183-Q200 HydrophobicContact CG-CG 4.22Å; M183-F281 HydrophobicContact CB-CD1 4.38Å; M183-F281 HydrophobicContact CB-CE1 3.9Å; M183-F281 WeakPolarHBondContact O-CD1 3.38Å; M183-N282 PolarHBondContact N-OD1 3.22Å; M183-N282 VanDerWaalsContact N-OD1 3.1Å; M183-N282 PolarHBondContact O-ND2 3.14Å; M183-N282 PolarHBondContact O-OD1 2.83Å |
| 184 | F | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 158.6 | 171.8 | -169.3 | -120.7 | 0 | 0 | 0 | 112.6 | Y186 V198 G199 F266 Y267 L277 V278 F281 F288 V293 | F184-Y186 HydrophobicContact CB-CE2 3.78Å; F184-Y186 HydrophobicContact CD1-CD1 4.23Å; F184-Y186 HydrophobicContact CD1-CD2 4.29Å; F184-Y186 AromaticContact CD1-CE1 3.93Å; F184-Y186 HydrophobicContact CD1-CE1 3.93Å; F184-Y186 AromaticContact CD1-CE2 3.96Å; F184-Y186 HydrophobicContact CD1-CE2 3.96Å; F184-Y186 HydrophobicContact CD1-CG 4.43Å; F184-Y186 AromaticContact CD1-CZ 3.79Å; F184-Y186 HydrophobicContact CG-CE2 4.35Å; F184-Y186 WeakPolarHBondContact O-CD2 3.33Å; F184-Y186 WeakPolarHBondContact O-CE2 3.48Å; F184-V198 WeakPolarHBondContact O-CA 3.46Å; F184-G199 PolarHBondContact N-O 2.9Å; F184-G199 PolarHBondContact O-N 3.4Å; F184-F266 HydrophobicContact CD1-CB 4.4Å; F184-F266 HydrophobicContact CD1-CD2 4.19Å; F184-F266 HydrophobicContact CD1-CG 4.23Å; F184-F266 HydrophobicContact CE1-CB 4.05Å; F184-F266 AromaticContact CE1-CD1 3.75Å; F184-F266 HydrophobicContact CE1-CD1 3.75Å; F184-F266 AromaticContact CE1-CD2 3.46Å; F184-F266 HydrophobicContact CE1-CD2 3.46Å; F184-F266 VanDerWaalsContact CE1-CD2 3.46Å; F184-F266 HydrophobicContact CE1-CE1 4.05Å; F184-F266 AromaticContact CE1-CE2 3.78Å; F184-F266 HydrophobicContact CE1-CE2 3.78Å; F184-F266 AromaticContact CE1-CG 3.46Å; F184-F266 HydrophobicContact CE1-CG 3.46Å; F184-F266 VanDerWaalsContact CE1-CG 3.46Å; F184-F266 HydrophobicContact CE1-CZ 4.07Å; F184-F266 AromaticContact CZ-CD1 3.85Å; F184-F266 HydrophobicContact CZ-CD1 3.85Å; F184-F266 HydrophobicContact CZ-CD2 4.35Å; F184-F266 HydrophobicContact CZ-CE1 4.02Å; F184-F266 HydrophobicContact CZ-CE2 4.49Å; F184-F266 HydrophobicContact CZ-CG 4.05Å; F184-F266 HydrophobicContact CZ-CZ 4.35Å; F184-Y267 HydrophobicContact CB-CE2 4.12Å; F184-L277 HydrophobicContact CE2-CB 4.23Å; F184-L277 HydrophobicContact CZ-CB 4.17Å; F184-V278 HydrophobicContact CB-CG1 4.38Å; F184-V278 HydrophobicContact CD1-CG2 4.2Å; F184-V278 HydrophobicContact CD2-CB 4.01Å; F184-V278 HydrophobicContact CD2-CG1 4.09Å; F184-V278 HydrophobicContact CD2-CG2 3.8Å; F184-V278 HydrophobicContact CE1-CG2 4.19Å; F184-V278 HydrophobicContact CE2-CB 4.19Å; F184-V278 HydrophobicContact CE2-CG2 3.79Å; F184-V278 HydrophobicContact CG-CG1 4.33Å; F184-V278 HydrophobicContact CG-CG2 4Å; F184-V278 HydrophobicContact CZ-CG2 3.99Å; F184-F281 HydrophobicContact CD2-CB 3.91Å; F184-F281 HydrophobicContact CD2-CG 4.18Å; F184-F281 HydrophobicContact CE2-CB 4.24Å; F184-F288 AromaticContact CE2-CE2 3.93Å; F184-F288 HydrophobicContact CE2-CE2 3.93Å; F184-F288 HydrophobicContact CE2-CZ 4.42Å; F184-V293 HydrophobicContact CE1-CG1 4.44Å; F184-V293 HydrophobicContact CE2-CG2 4.48Å; F184-V293 HydrophobicContact CZ-CG1 4.43Å; F184-V293 HydrophobicContact CZ-CG2 3.88Å |
| 185 | L | 95.6 | Very high | 92.9 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.5 | 176 | -168.1 | 75.4 | 0 | 0 | 0 | 110.3 | F196 V198 L211 F281 F288 H290 | L185-F196 HydrophobicContact CD1-CB 3.97Å; L185-F196 HydrophobicContact CD1-CD1 4.36Å; L185-F196 HydrophobicContact CD1-CG 4.42Å; L185-F196 HydrophobicContact CD2-CD1 3.77Å; L185-F196 HydrophobicContact CD2-CE1 4.09Å; L185-F196 HydrophobicContact CD2-CG 4.3Å; L185-F196 HydrophobicContact CG-CB 4.41Å; L185-F196 HydrophobicContact CG-CD1 3.88Å; L185-F196 HydrophobicContact CG-CG 4.41Å; L185-V198 HydrophobicContact CD1-CG2 4.05Å; L185-L211 HydrophobicContact CD1-CD2 4.38Å; L185-F281 HydrophobicContact CB-CD2 4.27Å; L185-F281 HydrophobicContact CB-CE2 3.89Å; L185-F281 HydrophobicContact CB-CZ 4.47Å; L185-F288 HydrophobicContact CB-CZ 4.21Å; L185-F288 HydrophobicContact CD2-CE1 4.1Å; L185-F288 HydrophobicContact CD2-CZ 4.35Å; L185-H290 HydrophobicContact CD2-CB 3.8Å |
| 186 | Y | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.7 | -179.1 | -61.6 | -94.1 | 0 | 0 | 0 | 110 | F184 F196 F197 F208 L259 Q262 V263 F266 Y267 | F184-Y186 HydrophobicContact CB-CE2 3.78Å; F184-Y186 HydrophobicContact CD1-CD1 4.23Å; F184-Y186 HydrophobicContact CD1-CD2 4.29Å; F184-Y186 AromaticContact CD1-CE1 3.93Å; F184-Y186 HydrophobicContact CD1-CE1 3.93Å; F184-Y186 AromaticContact CD1-CE2 3.96Å; F184-Y186 HydrophobicContact CD1-CE2 3.96Å; F184-Y186 HydrophobicContact CD1-CG 4.43Å; F184-Y186 AromaticContact CD1-CZ 3.79Å; F184-Y186 HydrophobicContact CG-CE2 4.35Å; F184-Y186 WeakPolarHBondContact O-CD2 3.33Å; F184-Y186 WeakPolarHBondContact O-CE2 3.48Å; Y186-F196 WeakPolarHBondContact O-CA 3.46Å; Y186-F197 PolarHBondContact N-O 2.69Å; Y186-F197 PolarHBondContact O-N 2.83Å; Y186-F208 HydrophobicContact CD1-CE1 4.15Å; Y186-F208 HydrophobicContact CD2-CD1 4.16Å; Y186-F208 AromaticContact CD2-CE1 3.57Å; Y186-F208 HydrophobicContact CD2-CE1 3.57Å; Y186-F208 HydrophobicContact CE1-CE1 4.28Å; Y186-F208 AromaticContact CE2-CE1 3.74Å; Y186-F208 HydrophobicContact CE2-CE1 3.74Å; Y186-F208 HydrophobicContact CE2-CZ 4.43Å; Y186-F208 AromaticContact CG-CE1 3.78Å; Y186-F208 HydrophobicContact CG-CE1 3.78Å; Y186-L259 HydrophobicContact CG-CD2 4.47Å; Y186-Q262 HydrophobicContact CD1-CB 3.72Å; Y186-Q262 HydrophobicContact CE1-CB 4.17Å; Y186-V263 HydrophobicContact CE1-CG2 3.82Å; Y186-F266 HydrophobicContact CE1-CD2 4.45Å; Y186-Y267 VanDerWaalsContact OH-CE2 3.26Å; Y186-Y267 WeakPolarHBondContact OH-CE2 2.87Å |
| 187 | A | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 115.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | P189 Y194 F196 Q262 V293 I294 L297 | A187-P189 WeakPolarHBondContact O-CD 3.42Å; A187-Y194 HydrophobicContact CB-CD1 3.99Å; A187-F196 HydrophobicContact CB-CD1 4.16Å; A187-F196 HydrophobicContact CB-CE1 3.88Å; A187-Q262 VanDerWaalsContact N-OE1 3.12Å; A187-Q262 PolarHBondContact O-NE2 3.37Å; A187-Q262 PolarHBondContact O-OE1 3.43Å; A187-V293 HydrophobicContact CB-CG1 4.34Å; A187-I294 HydrophobicContact CB-CG1 4.07Å; A187-L297 HydrophobicContact CB-CD2 4.2Å; A187-L297 VanDerWaalsContact O-CD2 3.32Å; A187-L297 WeakPolarHBondContact O-CD2 3.3Å |
| 188 | L | 94.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 114.6 | 176.9 | -173.1 | 66.7 | 0 | 0 | 0 | 109.5 | Q190 Y194 E195 F197 Q255 C258 L259 | L188-Q190 PolarHBondContact O-N 3.1Å; L188-Y194 WeakPolarHBondContact O-CA 3.24Å; L188-E195 HydrophobicContact CB-CB 4.43Å; L188-E195 WeakPolarHBondContact CB-O 3.29Å; L188-E195 PolarHBondContact N-O 2.61Å; L188-E195 PolarHBondContact O-N 2.89Å; L188-F197 HydrophobicContact CB-CD2 4.1Å; L188-F197 HydrophobicContact CB-CE2 4.13Å; L188-F197 HydrophobicContact CD2-CD2 4.29Å; L188-F197 HydrophobicContact CD2-CE2 3.58Å; L188-F197 HydrophobicContact CD2-CZ 4.29Å; L188-Q255 HydrophobicContact CD1-CB 3.76Å; L188-Q255 HydrophobicContact CD1-CG 3.93Å; L188-Q255 HydrophobicContact CD2-CB 3.88Å; L188-Q255 HydrophobicContact CD2-CG 3.81Å; L188-Q255 HydrophobicContact CG-CB 4.37Å; L188-Q255 HydrophobicContact CG-CG 4.2Å; L188-C258 HydrophobicContact CD1-CB 4.07Å; L188-L259 HydrophobicContact CD1-CD2 4.46Å; L188-L259 HydrophobicContact CD1-CG 4.28Å |
| 189 | P | 91.4 | Very high | 93 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 133.7 | 177.3 | -20.5 | 31.3 | 0 | 0 | 0 | 111.6 | A187 Y194 L297 A305 | A187-P189 WeakPolarHBondContact O-CD 3.42Å; P189-Y194 HydrophobicContact CB-CD1 4.34Å; P189-Y194 HydrophobicContact CB-CE1 4.06Å; P189-Y194 HydrophobicContact CG-CD1 4.29Å; P189-Y194 HydrophobicContact CG-CE1 3.9Å; P189-L297 HydrophobicContact CG-CD2 4.06Å; P189-A305 HydrophobicContact CB-CB 3.96Å |
| 190 | Q | 88.4 | Confident | 93 | Very high | 65 Ų | 65 | 38.7 Ų | 38.7 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | trans | -119.9 | 176.1 | 174.2 | -66.2 | -69.8 | 1 | 0 | 0 | 109.9 | L188 E192 G193 E195 | L188-Q190 PolarHBondContact O-N 3.1Å; Q190-E192 PolarHBondContact O-N 3.43Å; Q190-G193 PolarHBondContact N-O 3.28Å; Q190-E195 HydrophobicContact CG-CB 4Å; Q190-E195 PolarHBondContact NE2-OE2 2.88Å | ||
| 191 | K | 82.3 | Confident | 93.1 | Very high | 211 Ų | 211 | 35.5 Ų | 35.5 | 92% | 0.917 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -56.6 | -36.7 | 174.4 | -68.3 | -175.9 | 179.1 | -179.8 | 0 | 112.2 | ||
| 192 | E | 83.1 | Confident | 92.9 | Very high | 188 Ų | 188 | 36.6 Ų | 36.6 | 88% | 0.879 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -128.9 | 100.4 | 177.2 | -65.6 | -175.2 | -174.4 | 0 | 0 | 109.1 | Q190 | Q190-E192 PolarHBondContact O-N 3.43Š|
| 193 | G | 88.9 | Confident | 92.6 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 47% | 0.474 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 77.6 | -146.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | Q190 | Q190-G193 PolarHBondContact N-O 3.28Š|
| 194 | Y | 92.8 | Very high | 92.5 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.9 | -171.2 | -66.4 | -90.2 | 0 | 0 | 0 | 111 | A187 L188 P189 I294 L297 E298 | A187-Y194 HydrophobicContact CB-CD1 3.99Å; L188-Y194 WeakPolarHBondContact O-CA 3.24Å; P189-Y194 HydrophobicContact CB-CD1 4.34Å; P189-Y194 HydrophobicContact CB-CE1 4.06Å; P189-Y194 HydrophobicContact CG-CD1 4.29Å; P189-Y194 HydrophobicContact CG-CE1 3.9Å; Y194-I294 HydrophobicContact CD2-CD1 3.72Å; Y194-I294 HydrophobicContact CD2-CG1 4.14Å; Y194-I294 HydrophobicContact CD2-CG2 4.03Å; Y194-I294 HydrophobicContact CE1-CG2 4.28Å; Y194-I294 HydrophobicContact CE2-CD1 4.24Å; Y194-I294 HydrophobicContact CE2-CG1 4.38Å; Y194-I294 HydrophobicContact CE2-CG2 3.43Å; Y194-I294 VanDerWaalsContact CE2-CG2 3.43Å; Y194-I294 HydrophobicContact CG-CD1 4.07Å; Y194-I294 HydrophobicContact CG-CG1 4.22Å; Y194-L297 HydrophobicContact CD1-CD2 4.49Å; Y194-L297 HydrophobicContact CE1-CD2 3.96Å; Y194-E298 VanDerWaalsContact OH-CG 3.26Å; Y194-E298 WeakPolarHBondContact OH-CG 3.32Å; Y194-E298 PolarHBondContact OH-OE1 2.9Å |
| 195 | E | 93.1 | Very high | 92.3 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.2 | 165.5 | -177.3 | 178.2 | -178.7 | 0 | 0 | 109.4 | L188 Q190 F197 S210 | L188-E195 HydrophobicContact CB-CB 4.43Å; L188-E195 WeakPolarHBondContact CB-O 3.29Å; L188-E195 PolarHBondContact N-O 2.61Å; L188-E195 PolarHBondContact O-N 2.89Å; Q190-E195 HydrophobicContact CG-CB 4Å; Q190-E195 PolarHBondContact NE2-OE2 2.88Å; E195-F197 HydrophobicContact CB-CE2 4.49Å; E195-F197 HydrophobicContact CG-CD2 4.4Å; E195-F197 HydrophobicContact CG-CE2 3.85Å; E195-S210 PolarHBondContact OE1-OG 3Å |
| 196 | F | 95.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.4 | -179.4 | -69.2 | -72.3 | 0 | 0 | 0 | 112.4 | L185 Y186 A187 L211 H290 I294 | L185-F196 HydrophobicContact CD1-CB 3.97Å; L185-F196 HydrophobicContact CD1-CD1 4.36Å; L185-F196 HydrophobicContact CD1-CG 4.42Å; L185-F196 HydrophobicContact CD2-CD1 3.77Å; L185-F196 HydrophobicContact CD2-CE1 4.09Å; L185-F196 HydrophobicContact CD2-CG 4.3Å; L185-F196 HydrophobicContact CG-CB 4.41Å; L185-F196 HydrophobicContact CG-CD1 3.88Å; L185-F196 HydrophobicContact CG-CG 4.41Å; Y186-F196 WeakPolarHBondContact O-CA 3.46Å; A187-F196 HydrophobicContact CB-CD1 4.16Å; A187-F196 HydrophobicContact CB-CE1 3.88Å; F196-L211 HydrophobicContact CB-CB 4.06Å; F196-L211 HydrophobicContact CB-CD2 4.05Å; F196-L211 WeakPolarHBondContact O-CB 3.47Å; F196-L211 PolarHBondContact O-N 2.77Å; F196-H290 HydrophobicContact CE1-CB 4.28Å; F196-H290 HydrophobicContact CZ-CB 4.13Å; F196-H290 AromaticContact CZ-CD2 3.75Å; F196-I294 HydrophobicContact CE1-CD1 4.39Å; F196-I294 HydrophobicContact CE1-CG1 4.37Å; F196-I294 HydrophobicContact CZ-CD1 3.86Å; F196-I294 HydrophobicContact CZ-CG1 4.33Å |
| 197 | F | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.3 | 170.8 | -76.1 | -101.7 | 0 | 0 | 0 | 109.7 | Y186 L188 E195 F208 Q224 L259 | Y186-F197 PolarHBondContact N-O 2.69Å; Y186-F197 PolarHBondContact O-N 2.83Å; L188-F197 HydrophobicContact CB-CD2 4.1Å; L188-F197 HydrophobicContact CB-CE2 4.13Å; L188-F197 HydrophobicContact CD2-CD2 4.29Å; L188-F197 HydrophobicContact CD2-CE2 3.58Å; L188-F197 HydrophobicContact CD2-CZ 4.29Å; E195-F197 HydrophobicContact CB-CE2 4.49Å; E195-F197 HydrophobicContact CG-CD2 4.4Å; E195-F197 HydrophobicContact CG-CE2 3.85Å; F197-F208 HydrophobicContact CB-CD1 4.18Å; F197-F208 HydrophobicContact CD1-CB 4.19Å; F197-Q224 HydrophobicContact CE1-CB 4.38Å; F197-L259 HydrophobicContact CB-CD2 4.33Å; F197-L259 HydrophobicContact CD1-CD1 4.39Å; F197-L259 HydrophobicContact CD2-CD1 4.43Å; F197-L259 HydrophobicContact CD2-CD2 4.47Å; F197-L259 HydrophobicContact CG-CD1 4.21Å |
| 198 | V | 95.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119.8 | 165.5 | -178.7 | 0 | 0 | 0 | 0 | 107 | F101 F184 L185 F208 T209 L211 I214 | F101-V198 HydrophobicContact CE1-CG2 4.39Å; F101-V198 HydrophobicContact CZ-CG2 4.48Å; F184-V198 WeakPolarHBondContact O-CA 3.46Å; L185-V198 HydrophobicContact CD1-CG2 4.05Å; V198-F208 WeakPolarHBondContact O-CA 3.43Å; V198-T209 PolarHBondContact N-O 2.84Å; V198-T209 PolarHBondContact O-N 3.38Å; V198-L211 HydrophobicContact CG2-CD1 4.03Å; V198-I214 HydrophobicContact CB-CD1 3.69Å; V198-I214 HydrophobicContact CG1-CD1 4.43Å; V198-I214 HydrophobicContact CG2-CD1 3.64Å |
| 199 | G | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M183 F184 H207 | M183-G199 CarbonylContact C-O 3.58Å; M183-G199 WeakPolarHBondContact CA-O 3.22Å; F184-G199 PolarHBondContact N-O 2.9Å; F184-G199 PolarHBondContact O-N 3.4Å; G199-H207 CarbonylContact C-O 3.29Å; G199-H207 VanDerWaalsContact CA-O 3.3Å; G199-H207 WeakPolarHBondContact CA-O 3.29Å |
| 200 | Q | 94.2 | Very high | 92.4 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 118.9 | -179.2 | 176.7 | 171.9 | 65.9 | 0 | 0 | 110 | F109 P182 M183 L206 H207 | F109-Q200 VanDerWaalsContact CB-NE2 3.27Å; F109-Q200 HydrophobicContact CD2-CG 3.67Å; F109-Q200 HydrophobicContact CE2-CG 3.86Å; P182-Q200 WeakPolarHBondContact O-CA 3.39Å; M183-Q200 HydrophobicContact CG-CB 4.44Å; M183-Q200 HydrophobicContact CG-CG 4.22Å; Q200-L206 VanDerWaalsContact C-CD1 3.47Å; Q200-H207 PolarHBondContact N-O 3.22Å; Q200-H207 PolarHBondContact O-N 2.99Å |
| 201 | W | 94.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 2% | 0.023 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.9 | 175.2 | -72.6 | 99.9 | 0 | 0 | 0 | 110.4 | F109 I174 S178 P182 E205 L206 H229 V263 Y267 | F109-W201 VanDerWaalsContact CE2-O 3.29Å; F109-W201 WeakPolarHBondContact CE2-O 3.38Å; F109-W201 VanDerWaalsContact CZ-O 3.3Å; F109-W201 WeakPolarHBondContact CZ-O 3.17Å; I174-W201 HydrophobicContact CG2-CH2 3.82Å; I174-W201 HydrophobicContact CG2-CZ2 3.67Å; S178-W201 VanDerWaalsContact CB-CD1 3.48Å; P182-W201 HydrophobicContact CB-CB 4.42Å; P182-W201 PolarHBondContact O-N 3.37Å; W201-E205 CarbonylContact C-O 3.55Å; W201-E205 WeakPolarHBondContact CA-O 3.36Å; W201-L206 HydrophobicContact CD2-CB 4.05Å; W201-L206 HydrophobicContact CD2-CD1 3.89Å; W201-L206 HydrophobicContact CD2-CD2 4.48Å; W201-L206 HydrophobicContact CD2-CG 4.36Å; W201-L206 HydrophobicContact CE3-CB 3.86Å; W201-L206 HydrophobicContact CG-CD1 3.88Å; W201-L206 HydrophobicContact CH2-CB 4.18Å; W201-L206 HydrophobicContact CH2-CD2 4.25Å; W201-L206 HydrophobicContact CZ2-CB 4.36Å; W201-L206 HydrophobicContact CZ2-CD2 3.79Å; W201-L206 HydrophobicContact CZ2-CG 4.48Å; W201-L206 HydrophobicContact CZ3-CB 3.93Å; W201-H229 AromaticContact CH2-CE1 3.47Å; W201-H229 VanDerWaalsContact CH2-CE1 3.47Å; W201-H229 WeakPolarHBondContact CH2-CE1 3.47Å; W201-H229 AromaticContact CZ3-CE1 3.59Å; W201-H229 AromaticContact CZ3-ND1 3.68Å; W201-V263 HydrophobicContact CH2-CG1 4.32Å; W201-V263 HydrophobicContact CZ2-CG1 3.68Å; W201-Y267 AromaticContact NE1-CE1 3.85Å; W201-Y267 AromaticContact NE1-CZ 3.7Å |
| 202 | S | 90.8 | Very high | 92.9 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 16% | 0.161 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 107 | 164.7 | -170.3 | 0 | 0 | 0 | 0 | 107.8 | D113 H204 E205 | D113-S202 PolarHBondContact OD1-OG 2.86Å; D113-S202 VanDerWaalsContact OD1-OG 3.13Å; S202-H204 PolarHBondContact O-N 3.18Å; S202-H204 VanDerWaalsContact O-N 3.08Å; S202-E205 PolarHBondContact N-O 3.32Å; S202-E205 WeakPolarHBondContact O-CA 3.28Å; S202-E205 WeakPolarHBondContact O-CB 3.37Å; S202-E205 PolarHBondContact O-N 3.25Å |
| 203 | R | 89.8 | Confident | 93.1 | Very high | 184 Ų | 184 | 37 Ų | 37 | 69% | 0.694 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | -112.7 | -173.3 | -53.8 | 178.5 | -179.3 | -166.6 | 1.1 | 111.9 | F175 | F175-R203 WeakPolarHBondContact CE2-O 3.2Š|
| 204 | H | 91.6 | Very high | 93 | Very high | 60 Ų | 60 | 35.5 Ų | 35.5 | 28% | 0.278 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 8.7 | -179.9 | -62.3 | -68.1 | 0 | 0 | 0 | 112.6 | Y171 F175 S202 H229 | Y171-H204 AromaticContact CE1-ND1 4Å; Y171-H204 AromaticContact CZ-ND1 3.86Å; Y171-H204 PolarHBondContact OH-ND1 3.1Å; F175-H204 AromaticContact CD2-CE1 3.98Å; F175-H204 AromaticContact CD2-ND1 3.86Å; F175-H204 AromaticContact CE1-CE1 3.86Å; F175-H204 AromaticContact CE2-CE1 3.35Å; F175-H204 WeakPolarHBondContact CE2-CE1 3.3Å; F175-H204 AromaticContact CE2-ND1 3.47Å; F175-H204 WeakPolarHBondContact CE2-ND1 3.42Å; F175-H204 AromaticContact CZ-CE1 3.28Å; F175-H204 WeakPolarHBondContact CZ-CE1 3.38Å; F175-H204 AromaticContact CZ-ND1 3.91Å; F175-H204 AromaticContact CZ-NE2 3.92Å; S202-H204 PolarHBondContact O-N 3.18Å; S202-H204 VanDerWaalsContact O-N 3.08Å; H204-H229 HydrophobicContact CB-CB 4.35Å; H204-H229 WeakPolarHBondContact CB-O 3.49Å; H204-H229 WeakPolarHBondContact O-CB 3.41Å; H204-H229 PolarHBondContact O-N 3.39Å; H204-H229 PolarHBondContact O-ND1 3.43Å |
| 205 | E | 93.9 | Very high | 92.7 | Very high | 77 Ų | 77 | 38.5 Ų | 38.5 | 36% | 0.36 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.7 | -179.1 | -54.3 | -178.6 | -179.1 | 0 | 0 | 109.5 | W201 S202 H207 I226 L227 Y228 | W201-E205 CarbonylContact C-O 3.55Å; W201-E205 WeakPolarHBondContact CA-O 3.36Å; S202-E205 PolarHBondContact N-O 3.32Å; S202-E205 WeakPolarHBondContact O-CA 3.28Å; S202-E205 WeakPolarHBondContact O-CB 3.37Å; S202-E205 PolarHBondContact O-N 3.25Å; E205-H207 IonicContact OE2-NE2 2.68Å; E205-I226 HydrophobicContact CB-CG2 4.36Å; E205-L227 CarbonylContact C-O 3.54Å; E205-L227 VanDerWaalsContact CA-O 3.31Å; E205-L227 WeakPolarHBondContact CA-O 3.43Å; E205-Y228 HydrophobicContact CG-CD1 3.71Å; E205-Y228 HydrophobicContact CG-CE1 4.05Å |
| 206 | L | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 113 | 174.8 | 177 | 58.4 | 0 | 0 | 0 | 109.7 | Q200 W201 F208 I226 L227 V263 | Q200-L206 VanDerWaalsContact C-CD1 3.47Å; W201-L206 HydrophobicContact CD2-CB 4.05Å; W201-L206 HydrophobicContact CD2-CD1 3.89Å; W201-L206 HydrophobicContact CD2-CD2 4.48Å; W201-L206 HydrophobicContact CD2-CG 4.36Å; W201-L206 HydrophobicContact CE3-CB 3.86Å; W201-L206 HydrophobicContact CG-CD1 3.88Å; W201-L206 HydrophobicContact CH2-CB 4.18Å; W201-L206 HydrophobicContact CH2-CD2 4.25Å; W201-L206 HydrophobicContact CZ2-CB 4.36Å; W201-L206 HydrophobicContact CZ2-CD2 3.79Å; W201-L206 HydrophobicContact CZ2-CG 4.48Å; W201-L206 HydrophobicContact CZ3-CB 3.93Å; L206-F208 HydrophobicContact CB-CE2 4.48Å; L206-F208 HydrophobicContact CD2-CE1 4.47Å; L206-F208 HydrophobicContact CD2-CE2 3.54Å; L206-F208 HydrophobicContact CD2-CZ 3.48Å; L206-F208 VanDerWaalsContact CD2-CZ 3.48Å; L206-F208 HydrophobicContact CG-CD2 4.21Å; L206-F208 HydrophobicContact CG-CE2 3.58Å; L206-F208 HydrophobicContact CG-CZ 3.9Å; L206-I226 CarbonylContact O-C 3.57Å; L206-I226 VanDerWaalsContact O-CA 3.32Å; L206-I226 WeakPolarHBondContact O-CA 3.45Å; L206-L227 HydrophobicContact CB-CB 4.27Å; L206-L227 HydrophobicContact CD2-CD1 4.33Å; L206-L227 PolarHBondContact N-O 3.47Å; L206-L227 PolarHBondContact O-N 2.86Å; L206-V263 HydrophobicContact CD2-CB 4.35Å; L206-V263 HydrophobicContact CD2-CG1 4.05Å; L206-V263 HydrophobicContact CD2-CG2 3.32Å |
| 207 | H | 95 | Very high | 91.9 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 17% | 0.171 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.4 | -177.4 | -65.6 | -101.7 | 0 | 0 | 0 | 110.7 | G199 Q200 E205 S223 I226 | G199-H207 CarbonylContact C-O 3.29Å; G199-H207 VanDerWaalsContact CA-O 3.3Å; G199-H207 WeakPolarHBondContact CA-O 3.29Å; Q200-H207 PolarHBondContact N-O 3.22Å; Q200-H207 PolarHBondContact O-N 2.99Å; E205-H207 IonicContact OE2-NE2 2.68Å; H207-S223 PolarHBondContact ND1-OG 2.88Å; H207-I226 WeakPolarHBondContact ND1-CD1 3.4Å |
| 208 | F | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.2 | 173.9 | -69.8 | -87.6 | 0 | 0 | 0 | 110.9 | Y186 F197 V198 L206 S223 Q224 L225 L227 L259 V263 | Y186-F208 HydrophobicContact CD1-CE1 4.15Å; Y186-F208 HydrophobicContact CD2-CD1 4.16Å; Y186-F208 AromaticContact CD2-CE1 3.57Å; Y186-F208 HydrophobicContact CD2-CE1 3.57Å; Y186-F208 HydrophobicContact CE1-CE1 4.28Å; Y186-F208 AromaticContact CE2-CE1 3.74Å; Y186-F208 HydrophobicContact CE2-CE1 3.74Å; Y186-F208 HydrophobicContact CE2-CZ 4.43Å; Y186-F208 AromaticContact CG-CE1 3.78Å; Y186-F208 HydrophobicContact CG-CE1 3.78Å; F197-F208 HydrophobicContact CB-CD1 4.18Å; F197-F208 HydrophobicContact CD1-CB 4.19Å; V198-F208 WeakPolarHBondContact O-CA 3.43Å; L206-F208 HydrophobicContact CB-CE2 4.48Å; L206-F208 HydrophobicContact CD2-CE1 4.47Å; L206-F208 HydrophobicContact CD2-CE2 3.54Å; L206-F208 HydrophobicContact CD2-CZ 3.48Å; L206-F208 VanDerWaalsContact CD2-CZ 3.48Å; L206-F208 HydrophobicContact CG-CD2 4.21Å; L206-F208 HydrophobicContact CG-CE2 3.58Å; L206-F208 HydrophobicContact CG-CZ 3.9Å; F208-S223 CarbonylContact O-C 3.54Å; F208-S223 WeakPolarHBondContact O-CA 3.31Å; F208-Q224 PolarHBondContact O-N 3.46Å; F208-L225 HydrophobicContact CB-CB 4.01Å; F208-L225 HydrophobicContact CB-CD2 4.46Å; F208-L225 HydrophobicContact CB-CG 4.47Å; F208-L225 HydrophobicContact CD2-CB 4.32Å; F208-L225 HydrophobicContact CD2-CD2 3.66Å; F208-L225 HydrophobicContact CD2-CG 3.86Å; F208-L225 HydrophobicContact CE2-CD2 4.09Å; F208-L225 HydrophobicContact CG-CD2 4.16Å; F208-L225 HydrophobicContact CG-CG 4.49Å; F208-L225 PolarHBondContact N-O 3.44Å; F208-L225 PolarHBondContact O-N 2.85Å; F208-L227 HydrophobicContact CD2-CG 4.48Å; F208-L227 HydrophobicContact CE2-CD1 3.77Å; F208-L227 HydrophobicContact CE2-CG 3.89Å; F208-L227 HydrophobicContact CZ-CD1 4.44Å; F208-L259 HydrophobicContact CD1-CD1 4.04Å; F208-L259 HydrophobicContact CD1-CD2 4.4Å; F208-L259 HydrophobicContact CE1-CB 4.08Å; F208-L259 HydrophobicContact CE1-CD1 4.41Å; F208-L259 HydrophobicContact CE1-CD2 4.26Å; F208-L259 HydrophobicContact CE1-CG 4.49Å; F208-L259 HydrophobicContact CG-CD1 4.22Å; F208-L259 HydrophobicContact CZ-CB 4.09Å; F208-V263 HydrophobicContact CE2-CG2 4.47Å; F208-V263 HydrophobicContact CZ-CG2 3.67Å |
| 209 | T | 94.3 | Very high | 90 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 129.4 | 175.4 | -49.1 | 0 | 0 | 0 | 0 | 108.9 | V198 L211 N213 I214 A221 | V198-T209 PolarHBondContact N-O 2.84Å; V198-T209 PolarHBondContact O-N 3.38Å; T209-L211 PolarHBondContact O-N 2.78Å; T209-N213 HydrophobicContact CG2-CB 4.38Å; T209-I214 HydrophobicContact CG2-CD1 4.2Å; T209-I214 HydrophobicContact CG2-CG1 3.65Å; T209-A221 HydrophobicContact CG2-CB 3.83Å |
| 210 | S | 93.3 | Very high | 89 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 136.8 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | E195 I212 N213 I214 | E195-S210 PolarHBondContact OE1-OG 3Å; S210-I212 PolarHBondContact O-N 3.46Å; S210-I212 WeakPolarHBondContact OG-CG2 3.32Å; S210-N213 WeakPolarHBondContact O-CB 3.42Å; S210-N213 PolarHBondContact O-N 2.9Å; S210-I214 PolarHBondContact O-N 2.77Å |
| 211 | L | 91.3 | Very high | 88.5 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -35.4 | -176.1 | -178.6 | 61.2 | 0 | 0 | 0 | 111.5 | F101 L185 F196 V198 T209 N213 I214 Q215 | F101-L211 HydrophobicContact CE1-CD1 3.64Å; F101-L211 HydrophobicContact CE2-CD1 3.99Å; F101-L211 HydrophobicContact CZ-CD1 3.27Å; L185-L211 HydrophobicContact CD1-CD2 4.38Å; F196-L211 HydrophobicContact CB-CB 4.06Å; F196-L211 HydrophobicContact CB-CD2 4.05Å; F196-L211 WeakPolarHBondContact O-CB 3.47Å; F196-L211 PolarHBondContact O-N 2.77Å; V198-L211 HydrophobicContact CG2-CD1 4.03Å; T209-L211 PolarHBondContact O-N 2.78Å; L211-N213 VanDerWaalsContact C-N 3.31Å; L211-N213 PolarHBondContact O-N 2.84Å; L211-I214 PolarHBondContact O-N 3.15Å; L211-Q215 VanDerWaalsContact O-CG 3.32Å; L211-Q215 WeakPolarHBondContact O-CG 3.19Å; L211-Q215 PolarHBondContact O-N 2.99Å |
| 212 | I | 89.1 | Confident | 88.1 | Confident | 93 Ų | 93 | 58.4 Ų | 58.4 | 48% | 0.477 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.9 | -35.7 | 177.2 | -166.9 | 61.7 | 0 | 0 | 0 | 112 | S210 Q215 T216 | S210-I212 PolarHBondContact O-N 3.46Å; S210-I212 WeakPolarHBondContact OG-CG2 3.32Å; I212-Q215 PolarHBondContact O-N 3.5Å; I212-T216 HydrophobicContact CD1-CG2 4.38Å; I212-T216 HydrophobicContact CG1-CG2 4.44Å; I212-T216 WeakPolarHBondContact O-CB 3.49Å; I212-T216 VanDerWaalsContact O-CG2 3.24Å; I212-T216 WeakPolarHBondContact O-CG2 3.16Å; I212-T216 PolarHBondContact O-N 3.3Å; I212-T216 PolarHBondContact O-OG1 3.02Å |
| 213 | N | 87.4 | Confident | 88.1 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.8 | -38.4 | 178.2 | -74.7 | -9.2 | 0 | 0 | 0 | 110.9 | T209 S210 L211 Q215 T216 L217 A221 Q224 | T209-N213 HydrophobicContact CG2-CB 4.38Å; S210-N213 WeakPolarHBondContact O-CB 3.42Å; S210-N213 PolarHBondContact O-N 2.9Å; L211-N213 VanDerWaalsContact C-N 3.31Å; L211-N213 PolarHBondContact O-N 2.84Å; N213-Q215 VanDerWaalsContact C-N 3.35Å; N213-T216 WeakPolarHBondContact CA-OG1 3.45Å; N213-T216 PolarHBondContact O-N 3.01Å; N213-T216 PolarHBondContact O-OG1 3.12Å; N213-L217 VanDerWaalsContact O-CB 3.31Å; N213-L217 WeakPolarHBondContact O-CB 3.34Å; N213-L217 PolarHBondContact O-N 3.37Å; N213-A221 HydrophobicContact CB-CB 4.35Å; N213-Q224 PolarHBondContact ND2-NE2 3.27Å; N213-Q224 PolarHBondContact ND2-OE1 3.47Å |
| 214 | I | 87.6 | Confident | 88.3 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | 173.9 | -59.6 | 172.2 | 0 | 0 | 0 | 110.2 | F101 M105 V198 T209 S210 L211 T216 G218 A221 | F101-I214 HydrophobicContact CE2-CB 4.45Å; F101-I214 HydrophobicContact CE2-CG2 3.64Å; F101-I214 HydrophobicContact CZ-CB 4.38Å; F101-I214 HydrophobicContact CZ-CD1 4.44Å; F101-I214 HydrophobicContact CZ-CG2 3.77Å; M105-I214 HydrophobicContact CE-CD1 3.99Å; M105-I214 HydrophobicContact CE-CG2 4.28Å; M105-I214 HydrophobicContact SD-CD1 4.43Å; M105-I214 HydrophobicContact SD-CG2 3.46Å; M105-I214 WeakPolarHBondContact SD-CG2 3.43Å; V198-I214 HydrophobicContact CB-CD1 3.69Å; V198-I214 HydrophobicContact CG1-CD1 4.43Å; V198-I214 HydrophobicContact CG2-CD1 3.64Å; T209-I214 HydrophobicContact CG2-CD1 4.2Å; T209-I214 HydrophobicContact CG2-CG1 3.65Å; S210-I214 PolarHBondContact O-N 2.77Å; L211-I214 PolarHBondContact O-N 3.15Å; I214-T216 VanDerWaalsContact C-N 3.29Å; I214-T216 PolarHBondContact O-N 3.45Å; I214-G218 WeakPolarHBondContact O-CA 3.4Å; I214-G218 PolarHBondContact O-N 3.32Å; I214-A221 HydrophobicContact CG1-CB 4.34Å |
| 215 | Q | 86.1 | Confident | 88.4 | Confident | 123 Ų | 123 | 47 Ų | 47 | 58% | 0.575 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.1 | -30.8 | -179.7 | -72.4 | 175.9 | -10.3 | 0 | 0 | 113.3 | F101 L211 I212 N213 | F101-Q215 HydrophobicContact CE2-CG 4.48Å; L211-Q215 VanDerWaalsContact O-CG 3.32Å; L211-Q215 WeakPolarHBondContact O-CG 3.19Å; L211-Q215 PolarHBondContact O-N 2.99Å; I212-Q215 PolarHBondContact O-N 3.5Å; N213-Q215 VanDerWaalsContact C-N 3.35Å |
| 216 | T | 86.9 | Confident | 88.5 | Confident | 92 Ų | 92 | 43.5 Ų | 43.5 | 56% | 0.564 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -93.1 | -36 | -176.1 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | I212 N213 I214 | I212-T216 HydrophobicContact CD1-CG2 4.38Å; I212-T216 HydrophobicContact CG1-CG2 4.44Å; I212-T216 WeakPolarHBondContact O-CB 3.49Å; I212-T216 VanDerWaalsContact O-CG2 3.24Å; I212-T216 WeakPolarHBondContact O-CG2 3.16Å; I212-T216 PolarHBondContact O-N 3.3Å; I212-T216 PolarHBondContact O-OG1 3.02Å; N213-T216 WeakPolarHBondContact CA-OG1 3.45Å; N213-T216 PolarHBondContact O-N 3.01Å; N213-T216 PolarHBondContact O-OG1 3.12Å; I214-T216 VanDerWaalsContact C-N 3.29Å; I214-T216 PolarHBondContact O-N 3.45Å |
| 217 | L | 84 | Confident | 88.5 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 49% | 0.492 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -111.6 | -8.9 | -173.8 | -57 | 175.5 | 0 | 0 | 0 | 113.7 | N213 E219 N220 A221 | N213-L217 VanDerWaalsContact O-CB 3.31Å; N213-L217 WeakPolarHBondContact O-CB 3.34Å; N213-L217 PolarHBondContact O-N 3.37Å; L217-E219 PolarHBondContact O-N 3.19Å; L217-N220 PolarHBondContact O-N 3.37Å; L217-A221 HydrophobicContact CB-CB 4.16Å |
| 218 | G | 82.6 | Confident | 88.5 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | 57.2 | -132.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | I214 N220 A221 | I214-G218 WeakPolarHBondContact O-CA 3.4Å; I214-G218 PolarHBondContact O-N 3.32Å; G218-N220 PolarHBondContact O-N 2.93Å; G218-N220 VanDerWaalsContact O-N 3.09Å; G218-A221 VanDerWaalsContact O-CB 3.32Å; G218-A221 WeakPolarHBondContact O-CB 3.36Å; G218-A221 PolarHBondContact O-N 3.47Å; G218-A221 VanDerWaalsContact O-N 3.08Å |
| 219 | E | 69.6 | Low | 88.4 | Confident | 108 Ų | 108 | 43 Ų | 43 | 51% | 0.505 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -58.9 | -21.4 | -177.8 | -65.3 | 174 | -157 | 0 | 0 | 114.3 | E108 K111 R112 L217 | E108-E219 VanDerWaalsContact CD-CD 3.47Å; E108-E219 HydrophobicContact CG-CG 3.8Å; E108-E219 VanDerWaalsContact OE2-CG 3.29Å; E108-E219 WeakPolarHBondContact OE2-CG 3.24Å; E108-E219 VanDerWaalsContact OE2-OE1 3.08Å; K111-E219 IonicContact NZ-OE1 3.29Å; R112-E219 PolarHBondContact NH2-O 2.95Å; L217-E219 PolarHBondContact O-N 3.19Å |
| 220 | N | 75.3 | Confident | 88.4 | Confident | 142 Ų | 142 | 43 Ų | 43 | 76% | 0.759 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -93.1 | 3 | -178.7 | -65.3 | -47.8 | 0 | 0 | 0 | 113.1 | L217 G218 P222 | L217-N220 PolarHBondContact O-N 3.37Å; G218-N220 PolarHBondContact O-N 2.93Å; G218-N220 VanDerWaalsContact O-N 3.09Å; N220-P222 VanDerWaalsContact O-CD 3.3Å; N220-P222 WeakPolarHBondContact O-CD 3.19Å |
| 221 | A | 83.8 | Confident | 88.4 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 118.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T209 N213 I214 L217 G218 | T209-A221 HydrophobicContact CG2-CB 3.83Å; N213-A221 HydrophobicContact CB-CB 4.35Å; I214-A221 HydrophobicContact CG1-CB 4.34Å; L217-A221 HydrophobicContact CB-CB 4.16Å; G218-A221 VanDerWaalsContact O-CB 3.32Å; G218-A221 WeakPolarHBondContact O-CB 3.36Å; G218-A221 PolarHBondContact O-N 3.47Å; G218-A221 VanDerWaalsContact O-N 3.08Å |
| 222 | P | 86.4 | Confident | 88.4 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 41% | 0.409 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 145.7 | 179.8 | 31 | -34 | 0 | 0 | 0 | 110.6 | N220 | N220-P222 VanDerWaalsContact O-CD 3.3Å; N220-P222 WeakPolarHBondContact O-CD 3.19Å |
| 223 | S | 91.3 | Very high | 88.5 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 141.7 | 168.9 | -52.3 | 0 | 0 | 0 | 0 | 109.8 | F125 H207 F208 | F125-S223 WeakPolarHBondContact CE2-O 3.39Å; F125-S223 VanDerWaalsContact CZ-O 3.29Å; F125-S223 WeakPolarHBondContact CZ-O 3.3Å; H207-S223 PolarHBondContact ND1-OG 2.88Å; F208-S223 CarbonylContact O-C 3.54Å; F208-S223 WeakPolarHBondContact O-CA 3.31Å |
| 224 | Q | 92.9 | Very high | 88.8 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -101.4 | -22.6 | 177 | -69.7 | 163.5 | -72.3 | 0 | 0 | 111.5 | F197 F208 N213 M246 D247 F250 | F197-Q224 HydrophobicContact CE1-CB 4.38Å; F208-Q224 PolarHBondContact O-N 3.46Å; N213-Q224 PolarHBondContact ND2-NE2 3.27Å; N213-Q224 PolarHBondContact ND2-OE1 3.47Å; Q224-M246 WeakPolarHBondContact O-CA 3.45Å; Q224-D247 PolarHBondContact O-N 3.33Å; Q224-F250 HydrophobicContact CB-CB 4.42Å; Q224-F250 HydrophobicContact CG-CB 4.12Å; Q224-F250 HydrophobicContact CG-CD2 4.47Å; Q224-F250 HydrophobicContact CG-CG 4.31Å |
| 225 | L | 94.9 | Very high | 89 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 136.9 | 175.9 | 167 | 72.4 | 0 | 0 | 0 | 108.8 | F208 L227 A244 E245 M246 I251 A256 L259 | F208-L225 HydrophobicContact CB-CB 4.01Å; F208-L225 HydrophobicContact CB-CD2 4.46Å; F208-L225 HydrophobicContact CB-CG 4.47Å; F208-L225 HydrophobicContact CD2-CB 4.32Å; F208-L225 HydrophobicContact CD2-CD2 3.66Å; F208-L225 HydrophobicContact CD2-CG 3.86Å; F208-L225 HydrophobicContact CE2-CD2 4.09Å; F208-L225 HydrophobicContact CG-CD2 4.16Å; F208-L225 HydrophobicContact CG-CG 4.49Å; F208-L225 PolarHBondContact N-O 3.44Å; F208-L225 PolarHBondContact O-N 2.85Å; L225-L227 HydrophobicContact CD1-CD2 3.95Å; L225-L227 HydrophobicContact CD2-CD2 4.27Å; L225-L227 HydrophobicContact CG-CD2 4.18Å; L225-A244 HydrophobicContact CD1-CB 3.68Å; L225-E245 CarbonylContact C-O 3.43Å; L225-E245 WeakPolarHBondContact CA-O 3.31Å; L225-M246 HydrophobicContact CD1-CB 3.88Å; L225-I251 HydrophobicContact CB-CD1 4.17Å; L225-I251 HydrophobicContact CB-CG2 4.47Å; L225-I251 HydrophobicContact CD2-CD1 4.05Å; L225-A256 HydrophobicContact CD1-CB 3.92Å; L225-A256 HydrophobicContact CD2-CB 3.97Å; L225-L259 HydrophobicContact CD2-CB 4.16Å; L225-L259 HydrophobicContact CD2-CD1 3.75Å |
| 226 | I | 95 | Very high | 89.3 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.6 | 171.3 | -56.1 | 177.5 | 0 | 0 | 0 | 108 | F125 E205 L206 H207 Y228 A244 E245 | F125-I226 HydrophobicContact CB-CD1 3.78Å; F125-I226 HydrophobicContact CD2-CD1 3.23Å; F125-I226 HydrophobicContact CD2-CG1 4.11Å; F125-I226 HydrophobicContact CE2-CD1 3.87Å; F125-I226 HydrophobicContact CE2-CG1 4.28Å; F125-I226 HydrophobicContact CG-CD1 3.61Å; E205-I226 HydrophobicContact CB-CG2 4.36Å; L206-I226 CarbonylContact O-C 3.57Å; L206-I226 VanDerWaalsContact O-CA 3.32Å; L206-I226 WeakPolarHBondContact O-CA 3.45Å; H207-I226 WeakPolarHBondContact ND1-CD1 3.4Å; I226-Y228 HydrophobicContact CB-CE2 4.08Å; I226-Y228 HydrophobicContact CG2-CD1 4.34Å; I226-Y228 HydrophobicContact CG2-CD2 4.23Å; I226-Y228 HydrophobicContact CG2-CE1 3.9Å; I226-Y228 HydrophobicContact CG2-CE2 3.81Å; I226-Y228 HydrophobicContact CG2-CG 4.49Å; I226-A244 CarbonylContact O-C 3.59Å; I226-A244 VanDerWaalsContact O-CA 3.24Å; I226-A244 WeakPolarHBondContact O-CA 3.29Å; I226-E245 PolarHBondContact N-O 2.87Å; I226-E245 PolarHBondContact O-N 3Å |
| 227 | L | 95.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120 | 169.6 | -52 | -176.6 | 0 | 0 | 0 | 109.2 | I162 E205 L206 F208 L225 A244 A260 V263 | I162-L227 HydrophobicContact CD1-CD2 3.8Å; I162-L227 HydrophobicContact CG1-CD2 4.44Å; E205-L227 CarbonylContact C-O 3.54Å; E205-L227 VanDerWaalsContact CA-O 3.31Å; E205-L227 WeakPolarHBondContact CA-O 3.43Å; L206-L227 HydrophobicContact CB-CB 4.27Å; L206-L227 HydrophobicContact CD2-CD1 4.33Å; L206-L227 PolarHBondContact N-O 3.47Å; L206-L227 PolarHBondContact O-N 2.86Å; F208-L227 HydrophobicContact CD2-CG 4.48Å; F208-L227 HydrophobicContact CE2-CD1 3.77Å; F208-L227 HydrophobicContact CE2-CG 3.89Å; F208-L227 HydrophobicContact CZ-CD1 4.44Å; L225-L227 HydrophobicContact CD1-CD2 3.95Å; L225-L227 HydrophobicContact CD2-CD2 4.27Å; L225-L227 HydrophobicContact CG-CD2 4.18Å; L227-A244 HydrophobicContact CD2-CB 3.7Å; L227-A260 HydrophobicContact CD1-CB 4.01Å; L227-V263 HydrophobicContact CD1-CG2 4.45Å |
| 228 | Y | 94.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 47 Ų | 47 | 6% | 0.055 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.3 | 174.1 | -60.7 | -85 | 0 | 0 | 0 | 109.4 | K129 E205 I226 M242 T243 E245 | K129-Y228 HydrophobicContact CD-CE2 4.41Å; E205-Y228 HydrophobicContact CG-CD1 3.71Å; E205-Y228 HydrophobicContact CG-CE1 4.05Å; I226-Y228 HydrophobicContact CB-CE2 4.08Å; I226-Y228 HydrophobicContact CG2-CD1 4.34Å; I226-Y228 HydrophobicContact CG2-CD2 4.23Å; I226-Y228 HydrophobicContact CG2-CE1 3.9Å; I226-Y228 HydrophobicContact CG2-CE2 3.81Å; I226-Y228 HydrophobicContact CG2-CG 4.49Å; Y228-M242 VanDerWaalsContact O-CA 3.25Å; Y228-M242 WeakPolarHBondContact O-CA 3.43Å; Y228-M242 WeakPolarHBondContact O-CG 3.4Å; Y228-T243 HydrophobicContact CD2-CG2 4.48Å; Y228-T243 PolarHBondContact N-O 3.26Å; Y228-T243 PolarHBondContact O-N 2.99Å; Y228-T243 VanDerWaalsContact O-N 3.14Å; Y228-E245 HydrophobicContact CE2-CB 3.67Å; Y228-E245 WeakPolarHBondContact CE2-OE2 3.41Å; Y228-E245 PolarHBondContact OH-OE2 3.18Å |
| 229 | H | 95 | Very high | 90.7 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.3 | 172.8 | -55.7 | 81.2 | 0 | 0 | 0 | 109.9 | Y171 W201 H204 P231 V240 L241 | Y171-H229 AromaticContact CD2-CD2 3.95Å; Y171-H229 HydrophobicContact CE2-CB 3.59Å; Y171-H229 AromaticContact CE2-CD2 3.38Å; Y171-H229 WeakPolarHBondContact CE2-CD2 3.22Å; Y171-H229 AromaticContact CE2-CG 3.51Å; Y171-H229 VanDerWaalsContact OH-CB 3.32Å; Y171-H229 WeakPolarHBondContact OH-CB 3.46Å; W201-H229 AromaticContact CH2-CE1 3.47Å; W201-H229 VanDerWaalsContact CH2-CE1 3.47Å; W201-H229 WeakPolarHBondContact CH2-CE1 3.47Å; W201-H229 AromaticContact CZ3-CE1 3.59Å; W201-H229 AromaticContact CZ3-ND1 3.68Å; H204-H229 HydrophobicContact CB-CB 4.35Å; H204-H229 WeakPolarHBondContact CB-O 3.49Å; H204-H229 WeakPolarHBondContact O-CB 3.41Å; H204-H229 PolarHBondContact O-N 3.39Å; H204-H229 PolarHBondContact O-ND1 3.43Å; H229-P231 VanDerWaalsContact O-CD 3.28Å; H229-P231 WeakPolarHBondContact O-CD 3.46Å; H229-V240 HydrophobicContact CB-CG1 4.2Å; H229-L241 WeakPolarHBondContact CA-O 3.06Å |
| 230 | Y | 94.3 | Very high | 91.9 | Very high | 8 Ų | 8 | 41 Ų | 41 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 92.1 | -175.7 | -60.8 | -62.6 | 0 | 0 | 0 | 109.7 | K129 L131 I134 W152 E232 V240 L241 T243 | K129-Y230 VanDerWaalsContact O-CE1 3.23Å; K129-Y230 WeakPolarHBondContact O-CE1 3.37Å; K129-Y230 PolarHBondContact O-OH 3.4Å; L131-Y230 HydrophobicContact CB-CD1 3.94Å; L131-Y230 HydrophobicContact CB-CG 4.09Å; L131-Y230 HydrophobicContact CD1-CD2 4.3Å; L131-Y230 HydrophobicContact CD1-CG 4.14Å; I134-Y230 HydrophobicContact CD1-CE2 4.04Å; I134-Y230 WeakPolarHBondContact CD1-OH 3.43Å; W152-Y230 AromaticContact CH2-CD2 3.86Å; W152-Y230 HydrophobicContact CH2-CD2 3.86Å; W152-Y230 AromaticContact CH2-CE2 3.72Å; W152-Y230 HydrophobicContact CH2-CE2 3.72Å; W152-Y230 HydrophobicContact CZ2-CD2 4.03Å; W152-Y230 AromaticContact CZ2-CE2 3.96Å; W152-Y230 HydrophobicContact CZ2-CE2 3.96Å; Y230-E232 VanDerWaalsContact C-N 3.26Å; Y230-E232 WeakPolarHBondContact CA-OE2 3.34Å; Y230-E232 WeakPolarHBondContact CB-OE2 3.42Å; Y230-E232 PolarHBondContact O-N 3.09Å; Y230-V240 WeakPolarHBondContact O-CG1 3.28Å; Y230-L241 HydrophobicContact CD2-CB 4.21Å; Y230-L241 WeakPolarHBondContact CD2-O 3.4Å; Y230-L241 PolarHBondContact N-O 3.47Å; Y230-L241 PolarHBondContact O-N 3Å; Y230-T243 HydrophobicContact CE2-CG2 3.79Å |
| 231 | P | 93.4 | Very high | 92.9 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 21% | 0.214 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -80.9 | 0.8 | -175.5 | 35.2 | -38.1 | 0 | 0 | 0 | 113.9 | Y171 H229 L233 K234 | Y171-P231 HydrophobicContact CE1-CB 4.34Å; H229-P231 VanDerWaalsContact O-CD 3.28Å; H229-P231 WeakPolarHBondContact O-CD 3.46Å; P231-L233 PolarHBondContact O-N 3.06Å; P231-L233 VanDerWaalsContact O-N 3.14Å; P231-K234 WeakPolarHBondContact O-CB 3.34Å; P231-K234 PolarHBondContact O-N 3.06Å |
| 232 | E | 91.1 | Very high | 93.4 | Very high | 93 Ų | 93 | 34.5 Ų | 34.5 | 44% | 0.435 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -59.1 | -30.6 | -172 | -62.5 | 89.8 | 155.1 | 0 | 0 | 113 | L131 Y230 | L131-E232 HydrophobicContact CD2-CB 3.97Å; L131-E232 HydrophobicContact CD2-CG 4.47Å; Y230-E232 VanDerWaalsContact C-N 3.26Å; Y230-E232 WeakPolarHBondContact CA-OE2 3.34Å; Y230-E232 WeakPolarHBondContact CB-OE2 3.42Å; Y230-E232 PolarHBondContact O-N 3.09Å |
| 233 | L | 91.2 | Very high | 93.8 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -95.5 | 2.8 | -179.8 | -58.9 | 178.8 | 0 | 0 | 0 | 113.5 | L131 L137 I140 I148 P231 E235 K237 G238 V239 L241 | L131-L233 HydrophobicContact CD2-CD1 4.02Å; L131-L233 HydrophobicContact CD2-CG 3.89Å; L137-L233 HydrophobicContact CD2-CD2 4.5Å; I140-L233 HydrophobicContact CD1-CD1 3.77Å; I140-L233 HydrophobicContact CD1-CD2 4.02Å; I148-L233 HydrophobicContact CD1-CD1 4.31Å; I148-L233 HydrophobicContact CG2-CD1 3.83Å; P231-L233 PolarHBondContact O-N 3.06Å; P231-L233 VanDerWaalsContact O-N 3.14Å; L233-E235 PolarHBondContact O-N 3.48Å; L233-K237 HydrophobicContact CB-CB 4.22Å; L233-K237 HydrophobicContact CB-CG 4.32Å; L233-K237 HydrophobicContact CD2-CG 4.34Å; L233-K237 WeakPolarHBondContact O-CA 3.32Å; L233-K237 WeakPolarHBondContact O-CB 3.4Å; L233-K237 PolarHBondContact O-N 3.29Å; L233-G238 PolarHBondContact O-N 3.37Å; L233-V239 CarbonylContact C-O 3.52Å; L233-V239 VanDerWaalsContact C-O 3.22Å; L233-V239 HydrophobicContact CB-CG2 4.34Å; L233-L241 HydrophobicContact CD1-CD1 4.01Å |
| 234 | K | 93.2 | Very high | 94 | Very high | 39 Ų | 39 | 31.2 Ų | 31.2 | 17% | 0.17 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | -172.2 | -171.3 | -168.7 | 65.1 | 123.5 | 0 | 112.6 | S168 E172 P231 G238 V239 V240 | S168-K234 VanDerWaalsContact CB-CG 3.49Å; S168-K234 WeakPolarHBondContact OG-CG 3.38Å; S168-K234 PolarHBondContact OG-O 3.42Å; E172-K234 HydrophobicContact CG-CD 4.2Å; E172-K234 IonicContact OE1-NZ 3.06Å; E172-K234 PolarHBondContact OE1-NZ 3.23Å; P231-K234 WeakPolarHBondContact O-CB 3.34Å; P231-K234 PolarHBondContact O-N 3.06Å; K234-G238 VanDerWaalsContact O-CA 3.27Å; K234-G238 WeakPolarHBondContact O-CA 3.3Å; K234-G238 PolarHBondContact O-N 2.89Å; K234-G238 VanDerWaalsContact O-N 3.14Å; K234-V239 WeakPolarHBondContact CA-O 3.45Å; K234-V239 PolarHBondContact N-O 2.9Å; K234-V240 HydrophobicContact CB-CG2 3.87Å; K234-V240 HydrophobicContact CD-CG2 4.24Å; K234-V240 HydrophobicContact CG-CG2 3.79Å |
| 235 | E | 92 | Very high | 93.9 | Very high | 151 Ų | 151 | 32.1 Ų | 32.1 | 71% | 0.706 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -77.1 | -41.7 | -175.5 | -59.7 | -60.9 | 156.2 | 0 | 0 | 111.9 | L233 | L233-E235 PolarHBondContact O-N 3.48Å |
| 236 | E | 91.4 | Very high | 93.7 | Very high | 153 Ų | 153 | 33.3 Ų | 33.3 | 72% | 0.715 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -82.7 | -36 | -174.8 | -64.4 | -174.5 | 179 | 0 | 0 | 113.3 | ||
| 237 | K | 93 | Very high | 93.4 | Very high | 51 Ų | 51 | 35.2 Ų | 35.2 | 22% | 0.222 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -120.2 | -3.9 | -170.1 | -53.5 | -63.2 | -179.9 | 174.1 | 0 | 113.5 | K141 K143 I148 L233 V239 | K141-K237 PolarHBondContact O-NZ 3.45Å; K143-K237 WeakPolarHBondContact O-CE 3.24Å; K143-K237 PolarHBondContact O-NZ 2.99Å; I148-K237 HydrophobicContact CD1-CB 4.45Å; I148-K237 HydrophobicContact CD1-CD 4.17Å; I148-K237 HydrophobicContact CD1-CG 3.92Å; L233-K237 HydrophobicContact CB-CB 4.22Å; L233-K237 HydrophobicContact CB-CG 4.32Å; L233-K237 HydrophobicContact CD2-CG 4.34Å; L233-K237 WeakPolarHBondContact O-CA 3.32Å; L233-K237 WeakPolarHBondContact O-CB 3.4Å; L233-K237 PolarHBondContact O-N 3.29Å; K237-V239 HydrophobicContact CB-CG2 4.06Å; K237-V239 PolarHBondContact O-N 2.8Å |
| 238 | G | 94.6 | Very high | 92.9 | Very high | 36 Ų | 36 | 40.1 Ų | 40.1 | 37% | 0.371 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 71.7 | 14.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S168 L233 K234 | S168-G238 PolarHBondContact N-O 2.71Å; S168-G238 WeakPolarHBondContact OG-CA 3.26Å; S168-G238 PolarHBondContact OG-O 2.91Å; S168-G238 VanDerWaalsContact OG-O 3.07Å; L233-G238 PolarHBondContact O-N 3.37Å; K234-G238 VanDerWaalsContact O-CA 3.27Å; K234-G238 WeakPolarHBondContact O-CA 3.3Å; K234-G238 PolarHBondContact O-N 2.89Å; K234-G238 VanDerWaalsContact O-N 3.14Å |
| 239 | V | 95.6 | Very high | 92.5 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.6 | -175.2 | -60.9 | 0 | 0 | 0 | 0 | 112 | S168 L233 K234 K237 | S168-V239 PolarHBondContact OG-N 2.87Å; L233-V239 CarbonylContact C-O 3.52Å; L233-V239 VanDerWaalsContact C-O 3.22Å; L233-V239 HydrophobicContact CB-CG2 4.34Å; K234-V239 WeakPolarHBondContact CA-O 3.45Å; K234-V239 PolarHBondContact N-O 2.9Å; K237-V239 HydrophobicContact CB-CG2 4.06Å; K237-V239 PolarHBondContact O-N 2.8Å |
| 240 | V | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.8 | 172.1 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | I166 Y171 H229 Y230 K234 | I166-V240 HydrophobicContact CB-CB 4.4Å; I166-V240 PolarHBondContact N-O 3.44Å; I166-V240 PolarHBondContact O-N 3.01Å; Y171-V240 HydrophobicContact CD1-CB 4.32Å; Y171-V240 HydrophobicContact CD1-CG1 4.01Å; Y171-V240 HydrophobicContact CD1-CG2 3.7Å; Y171-V240 HydrophobicContact CD2-CG1 3.98Å; Y171-V240 HydrophobicContact CE1-CG1 4.18Å; Y171-V240 HydrophobicContact CE1-CG2 4.47Å; Y171-V240 HydrophobicContact CE2-CG1 4.18Å; Y171-V240 HydrophobicContact CG-CB 4.07Å; Y171-V240 HydrophobicContact CG-CG1 3.89Å; Y171-V240 HydrophobicContact CG-CG2 3.82Å; H229-V240 HydrophobicContact CB-CG1 4.2Å; Y230-V240 WeakPolarHBondContact O-CG1 3.28Å; K234-V240 HydrophobicContact CB-CG2 3.87Å; K234-V240 HydrophobicContact CD-CG2 4.24Å; K234-V240 HydrophobicContact CG-CG2 3.79Å |
| 241 | L | 95 | Very high | 92 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 144.1 | -179.3 | -59.7 | 176.5 | 0 | 0 | 0 | 109.8 | L131 I148 W152 A165 H229 Y230 L233 | L131-L241 HydrophobicContact CD1-CD1 3.83Å; I148-L241 HydrophobicContact CG2-CD1 4.05Å; I148-L241 HydrophobicContact CG2-CD2 4.47Å; W152-L241 HydrophobicContact CB-CD2 3.99Å; W152-L241 HydrophobicContact CD2-CB 4.1Å; W152-L241 HydrophobicContact CD2-CD1 3.98Å; W152-L241 HydrophobicContact CD2-CD2 4.22Å; W152-L241 HydrophobicContact CD2-CG 4.33Å; W152-L241 HydrophobicContact CE3-CB 4.46Å; W152-L241 HydrophobicContact CE3-CD1 3.77Å; W152-L241 HydrophobicContact CG-CD1 4.36Å; W152-L241 HydrophobicContact CG-CD2 3.85Å; W152-L241 HydrophobicContact CG-CG 4.46Å; W152-L241 HydrophobicContact CH2-CB 4.39Å; W152-L241 HydrophobicContact CZ2-CB 4.03Å; W152-L241 HydrophobicContact CZ3-CD1 4.19Å; A165-L241 HydrophobicContact CB-CD2 4.02Å; H229-L241 WeakPolarHBondContact CA-O 3.06Å; Y230-L241 HydrophobicContact CD2-CB 4.21Å; Y230-L241 WeakPolarHBondContact CD2-O 3.4Å; Y230-L241 PolarHBondContact N-O 3.47Å; Y230-L241 PolarHBondContact O-N 3Å; L233-L241 HydrophobicContact CD1-CD1 4.01Å |
| 242 | M | 95.6 | Very high | 92 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.9 | 179.5 | -176 | -125.5 | 66.4 | 0 | 0 | 110.6 | W152 I162 S163 A164 I166 Y228 | W152-M242 PolarHBondContact NE1-O 3.46Å; I162-M242 HydrophobicContact CD1-CE 4.19Å; I162-M242 HydrophobicContact CG1-CE 4.07Å; S163-M242 VanDerWaalsContact CA-O 3.29Å; S163-M242 WeakPolarHBondContact CA-O 3.27Å; A164-M242 HydrophobicContact CB-CB 4.35Å; A164-M242 HydrophobicContact CB-CE 3.95Å; A164-M242 HydrophobicContact CB-SD 4.34Å; A164-M242 PolarHBondContact N-O 3.33Å; A164-M242 PolarHBondContact O-N 3.46Å; I166-M242 HydrophobicContact CD1-CB 4Å; I166-M242 HydrophobicContact CD1-CG 4.49Å; Y228-M242 VanDerWaalsContact O-CA 3.25Å; Y228-M242 WeakPolarHBondContact O-CA 3.43Å; Y228-M242 WeakPolarHBondContact O-CG 3.4Å |
| 243 | T | 94.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 161.4 | 167.8 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | W152 Y156 I162 Y228 Y230 | W152-T243 HydrophobicContact CZ2-CG2 4.27Å; Y156-T243 WeakPolarHBondContact CE1-OG1 3.28Å; Y156-T243 VanDerWaalsContact CZ-OG1 3.23Å; Y156-T243 PolarHBondContact OH-OG1 2.99Å; I162-T243 WeakPolarHBondContact O-CA 3.36Å; I162-T243 PolarHBondContact O-OG1 2.78Å; Y228-T243 HydrophobicContact CD2-CG2 4.48Å; Y228-T243 PolarHBondContact N-O 3.26Å; Y228-T243 PolarHBondContact O-N 2.99Å; Y228-T243 VanDerWaalsContact O-N 3.14Å; Y230-T243 HydrophobicContact CE2-CG2 3.79Å |
| 244 | A | 93.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 151.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | T161 I162 L225 I226 L227 | T161-A244 PolarHBondContact OG1-O 2.82Å; I162-A244 HydrophobicContact CD1-CB 4.08Å; I162-A244 HydrophobicContact CG1-CB 3.35Å; I162-A244 PolarHBondContact O-N 3Å; I162-A244 VanDerWaalsContact O-N 3.11Å; L225-A244 HydrophobicContact CD1-CB 3.68Å; I226-A244 CarbonylContact O-C 3.59Å; I226-A244 VanDerWaalsContact O-CA 3.24Å; I226-A244 WeakPolarHBondContact O-CA 3.29Å; L227-A244 HydrophobicContact CD2-CB 3.7Å |
| 245 | E | 91.2 | Very high | 92.2 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129 | 158.8 | -171.6 | 171.8 | -166.5 | 0 | 0 | 107.8 | F125 T126 K129 L225 I226 Y228 | F125-E245 HydrophobicContact CD1-CB 4.32Å; F125-E245 HydrophobicContact CD1-CG 3.35Å; F125-E245 WeakPolarHBondContact CD1-OE1 3.36Å; F125-E245 HydrophobicContact CE1-CG 3.8Å; F125-E245 HydrophobicContact CG-CG 4.23Å; T126-E245 PolarHBondContact N-OE1 3.08Å; T126-E245 PolarHBondContact OG1-OE1 2.77Å; T126-E245 VanDerWaalsContact OG1-OE1 3.11Å; K129-E245 IonicContact NZ-OE1 3.79Å; K129-E245 PolarHBondContact NZ-OE1 2.74Å; K129-E245 IonicContact NZ-OE2 2.8Å; K129-E245 PolarHBondContact NZ-OE2 2.92Å; L225-E245 CarbonylContact C-O 3.43Å; L225-E245 WeakPolarHBondContact CA-O 3.31Å; I226-E245 PolarHBondContact N-O 2.87Å; I226-E245 PolarHBondContact O-N 3Å; Y228-E245 HydrophobicContact CE2-CB 3.67Å; Y228-E245 WeakPolarHBondContact CE2-OE2 3.41Å; Y228-E245 PolarHBondContact OH-OE2 3.18Å |
| 246 | M | 91.6 | Very high | 92.3 | Very high | 25 Ų | 25 | 52 Ų | 52 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148.9 | -172.9 | 64.9 | 178.2 | -169.3 | 0 | 0 | 110.5 | D160 Q224 L225 P248 I251 V253 A256 | D160-M246 WeakPolarHBondContact O-CE 3.4Å; Q224-M246 WeakPolarHBondContact O-CA 3.45Å; L225-M246 HydrophobicContact CD1-CB 3.88Å; M246-P248 VanDerWaalsContact O-CD 3.31Å; M246-P248 WeakPolarHBondContact O-CD 3.32Å; M246-I251 HydrophobicContact CB-CG2 3.65Å; M246-I251 HydrophobicContact CG-CG2 4.37Å; M246-I251 HydrophobicContact SD-CG2 4.29Å; M246-V253 HydrophobicContact CE-CB 4.33Å; M246-V253 HydrophobicContact CE-CG2 3.42Å; M246-V253 VanDerWaalsContact CE-CG2 3.42Å; M246-A256 HydrophobicContact SD-CB 4.09Å |
| 247 | D | 87.6 | Confident | 92.5 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | trans | -87.5 | 108 | 169.3 | -172.6 | -16.1 | 0 | 0 | 0 | 109.3 | Q224 K249 F250 I251 | Q224-D247 PolarHBondContact O-N 3.33Å; D247-K249 PolarHBondContact O-N 3.11Å; D247-K249 VanDerWaalsContact OD1-CB 3.28Å; D247-K249 WeakPolarHBondContact OD1-CB 3.32Å; D247-K249 WeakPolarHBondContact OD1-CG 3.41Å; D247-K249 PolarHBondContact OD1-N 3.28Å; D247-F250 HydrophobicContact CB-CD2 3.96Å; D247-F250 PolarHBondContact O-N 3.47Å; D247-F250 VanDerWaalsContact OD2-CD2 3.27Å; D247-F250 WeakPolarHBondContact OD2-CD2 3.47Å; D247-F250 VanDerWaalsContact OD2-CE2 3.28Å; D247-F250 WeakPolarHBondContact OD2-CE2 3.39Å; D247-I251 PolarHBondContact O-N 3Å; D247-I251 VanDerWaalsContact O-N 3.08Å | ||
| 248 | P | 86.1 | Confident | 92.6 | Very high | 104 Ų | 104 | 46.8 Ų | 46.8 | 68% | 0.675 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.3 | -176.4 | 28.3 | -36.3 | 0 | 0 | 0 | 113.2 | M246 F250 | M246-P248 VanDerWaalsContact O-CD 3.31Å; M246-P248 WeakPolarHBondContact O-CD 3.32Å; P248-F250 VanDerWaalsContact C-N 3.31Å |
| 249 | K | 86.6 | Confident | 92.7 | Very high | 178 Ų | 178 | 45.1 Ų | 45.1 | 77% | 0.774 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -27.4 | 173.8 | -63.3 | 174.1 | -176.2 | 171.9 | 0 | 112.7 | D247 | D247-K249 PolarHBondContact O-N 3.11Å; D247-K249 VanDerWaalsContact OD1-CB 3.28Å; D247-K249 WeakPolarHBondContact OD1-CB 3.32Å; D247-K249 WeakPolarHBondContact OD1-CG 3.41Å; D247-K249 PolarHBondContact OD1-N 3.28Å |
| 250 | F | 86.1 | Confident | 92.7 | Very high | 113 Ų | 113 | 45 Ų | 45 | 50% | 0.496 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -29.9 | -172.3 | -64.2 | -75.2 | 0 | 0 | 0 | 113.3 | Q224 D247 P248 | Q224-F250 HydrophobicContact CB-CB 4.42Å; Q224-F250 HydrophobicContact CG-CB 4.12Å; Q224-F250 HydrophobicContact CG-CD2 4.47Å; Q224-F250 HydrophobicContact CG-CG 4.31Å; D247-F250 HydrophobicContact CB-CD2 3.96Å; D247-F250 PolarHBondContact O-N 3.47Å; D247-F250 VanDerWaalsContact OD2-CD2 3.27Å; D247-F250 WeakPolarHBondContact OD2-CD2 3.47Å; D247-F250 VanDerWaalsContact OD2-CE2 3.28Å; D247-F250 WeakPolarHBondContact OD2-CE2 3.39Å; P248-F250 VanDerWaalsContact C-N 3.31Å |
| 251 | I | 91 | Very high | 92.6 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | trans | -136.9 | 135.1 | -176.4 | -160.6 | 169.5 | 0 | 0 | 0 | 111.8 | L225 M246 D247 Q255 A256 L259 | L225-I251 HydrophobicContact CB-CD1 4.17Å; L225-I251 HydrophobicContact CB-CG2 4.47Å; L225-I251 HydrophobicContact CD2-CD1 4.05Å; M246-I251 HydrophobicContact CB-CG2 3.65Å; M246-I251 HydrophobicContact CG-CG2 4.37Å; M246-I251 HydrophobicContact SD-CG2 4.29Å; D247-I251 PolarHBondContact O-N 3Å; D247-I251 VanDerWaalsContact O-N 3.08Å; I251-Q255 HydrophobicContact CD1-CB 4.18Å; I251-Q255 HydrophobicContact CG1-CB 3.58Å; I251-A256 HydrophobicContact CD1-CB 4.35Å; I251-L259 HydrophobicContact CD1-CD1 3.61Å | ||
| 252 | T | 93.3 | Very high | 92.7 | Very high | 73 Ų | 73 | 47.3 Ų | 47.3 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | trans | -88 | 161.1 | 175 | 63.9 | 0 | 0 | 0 | 0 | 111.3 | H254 Q255 A256 | T252-H254 VanDerWaalsContact C-N 3.26Å; T252-H254 PolarHBondContact O-N 3.39Å; T252-Q255 PolarHBondContact O-N 3.36Å; T252-Q255 VanDerWaalsContact O-N 3.11Å; T252-Q255 VanDerWaalsContact OG1-CD 3.32Å; T252-Q255 VanDerWaalsContact OG1-CG 3.25Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.5Å; T252-Q255 PolarHBondContact OG1-N 2.94Å; T252-Q255 PolarHBondContact OG1-OE1 3.35Å; T252-A256 PolarHBondContact O-N 3.32Å | ||
| 253 | V | 93.4 | Very high | 92.7 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 30% | 0.297 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -54.8 | -42.8 | 175.7 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | D160 I162 M246 Q255 A256 Q257 | D160-V253 HydrophobicContact CB-CG2 4.48Å; I162-V253 HydrophobicContact CG2-CG1 3.78Å; M246-V253 HydrophobicContact CE-CB 4.33Å; M246-V253 HydrophobicContact CE-CG2 3.42Å; M246-V253 VanDerWaalsContact CE-CG2 3.42Å; V253-Q255 PolarHBondContact O-N 3.11Å; V253-A256 PolarHBondContact O-N 2.97Å; V253-Q257 WeakPolarHBondContact O-CB 3.47Å; V253-Q257 PolarHBondContact O-N 3.43Å |
| 254 | H | 92.7 | Very high | 92.7 | Very high | 163 Ų | 163 | 51.7 Ų | 51.7 | 76% | 0.755 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.6 | -39.2 | 179.1 | -70.6 | -62.9 | 0 | 0 | 0 | 112.7 | T252 Q257 C258 | T252-H254 VanDerWaalsContact C-N 3.26Å; T252-H254 PolarHBondContact O-N 3.39Å; H254-Q257 PolarHBondContact O-N 3.36Å; H254-C258 WeakPolarHBondContact O-CB 3.38Å; H254-C258 PolarHBondContact O-N 3.34Å |
| 255 | Q | 94 | Very high | 92.7 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.3 | -42 | 176.1 | -72.5 | 168.3 | -42 | 0 | 0 | 111.3 | L188 I251 T252 V253 Q257 C258 L259 | L188-Q255 HydrophobicContact CD1-CB 3.76Å; L188-Q255 HydrophobicContact CD1-CG 3.93Å; L188-Q255 HydrophobicContact CD2-CB 3.88Å; L188-Q255 HydrophobicContact CD2-CG 3.81Å; L188-Q255 HydrophobicContact CG-CB 4.37Å; L188-Q255 HydrophobicContact CG-CG 4.2Å; I251-Q255 HydrophobicContact CD1-CB 4.18Å; I251-Q255 HydrophobicContact CG1-CB 3.58Å; T252-Q255 PolarHBondContact O-N 3.36Å; T252-Q255 VanDerWaalsContact O-N 3.11Å; T252-Q255 VanDerWaalsContact OG1-CD 3.32Å; T252-Q255 VanDerWaalsContact OG1-CG 3.25Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.5Å; T252-Q255 PolarHBondContact OG1-N 2.94Å; T252-Q255 PolarHBondContact OG1-OE1 3.35Å; V253-Q255 PolarHBondContact O-N 3.11Å; Q255-Q257 VanDerWaalsContact C-N 3.33Å; Q255-Q257 PolarHBondContact O-N 3.38Å; Q255-C258 WeakPolarHBondContact O-CB 3.25Å; Q255-C258 PolarHBondContact O-N 3.39Å; Q255-L259 PolarHBondContact O-N 2.88Å |
| 256 | A | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I162 L225 M246 I251 T252 V253 C258 L259 A260 | I162-A256 HydrophobicContact CD1-CB 4.27Å; I162-A256 HydrophobicContact CG2-CB 4.34Å; L225-A256 HydrophobicContact CD1-CB 3.92Å; L225-A256 HydrophobicContact CD2-CB 3.97Å; M246-A256 HydrophobicContact SD-CB 4.09Å; I251-A256 HydrophobicContact CD1-CB 4.35Å; T252-A256 PolarHBondContact O-N 3.32Å; V253-A256 PolarHBondContact O-N 2.97Å; A256-C258 VanDerWaalsContact C-N 3.34Å; A256-C258 PolarHBondContact O-N 3.07Å; A256-L259 PolarHBondContact O-N 2.92Å; A256-A260 PolarHBondContact O-N 3.44Å |
| 257 | Q | 94.9 | Very high | 93.1 | Very high | 76 Ų | 76 | 49.4 Ų | 49.4 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 174.5 | -172.9 | 64.5 | 41.9 | 0 | 0 | 111.8 | I162 V253 H254 Q255 L259 A260 N261 | I162-Q257 HydrophobicContact CG2-CB 4.08Å; V253-Q257 WeakPolarHBondContact O-CB 3.47Å; V253-Q257 PolarHBondContact O-N 3.43Å; H254-Q257 PolarHBondContact O-N 3.36Å; Q255-Q257 VanDerWaalsContact C-N 3.33Å; Q255-Q257 PolarHBondContact O-N 3.38Å; Q257-L259 PolarHBondContact O-N 3.33Å; Q257-A260 PolarHBondContact O-N 2.66Å; Q257-N261 PolarHBondContact NE2-OD1 3.03Å; Q257-N261 WeakPolarHBondContact O-CB 3.37Å; Q257-N261 PolarHBondContact O-N 3.11Å; Q257-N261 PolarHBondContact O-OD1 3.09Å |
| 258 | C | 94.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 13% | 0.128 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | L188 H254 Q255 A256 N261 Q262 | L188-C258 HydrophobicContact CD1-CB 4.07Å; H254-C258 WeakPolarHBondContact O-CB 3.38Å; H254-C258 PolarHBondContact O-N 3.34Å; Q255-C258 WeakPolarHBondContact O-CB 3.25Å; Q255-C258 PolarHBondContact O-N 3.39Å; A256-C258 VanDerWaalsContact C-N 3.34Å; A256-C258 PolarHBondContact O-N 3.07Å; C258-N261 PolarHBondContact O-N 3.09Å; C258-Q262 WeakPolarHBondContact O-CG 3.4Å; C258-Q262 PolarHBondContact O-N 2.94Å; C258-Q262 PolarHBondContact SG-NE2 2.86Å |
| 259 | L | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.9 | -68.3 | 175.5 | 0 | 0 | 0 | 111.7 | Y186 L188 F197 F208 L225 I251 Q255 A256 Q257 N261 Q262 V263 | Y186-L259 HydrophobicContact CG-CD2 4.47Å; L188-L259 HydrophobicContact CD1-CD2 4.46Å; L188-L259 HydrophobicContact CD1-CG 4.28Å; F197-L259 HydrophobicContact CB-CD2 4.33Å; F197-L259 HydrophobicContact CD1-CD1 4.39Å; F197-L259 HydrophobicContact CD2-CD1 4.43Å; F197-L259 HydrophobicContact CD2-CD2 4.47Å; F197-L259 HydrophobicContact CG-CD1 4.21Å; F208-L259 HydrophobicContact CD1-CD1 4.04Å; F208-L259 HydrophobicContact CD1-CD2 4.4Å; F208-L259 HydrophobicContact CE1-CB 4.08Å; F208-L259 HydrophobicContact CE1-CD1 4.41Å; F208-L259 HydrophobicContact CE1-CD2 4.26Å; F208-L259 HydrophobicContact CE1-CG 4.49Å; F208-L259 HydrophobicContact CG-CD1 4.22Å; F208-L259 HydrophobicContact CZ-CB 4.09Å; L225-L259 HydrophobicContact CD2-CB 4.16Å; L225-L259 HydrophobicContact CD2-CD1 3.75Å; I251-L259 HydrophobicContact CD1-CD1 3.61Å; Q255-L259 PolarHBondContact O-N 2.88Å; A256-L259 PolarHBondContact O-N 2.92Å; Q257-L259 PolarHBondContact O-N 3.33Å; L259-N261 PolarHBondContact O-N 2.87Å; L259-Q262 WeakPolarHBondContact O-CB 3.26Å; L259-Q262 PolarHBondContact O-N 2.95Å; L259-Q262 VanDerWaalsContact O-N 3.15Å; L259-V263 WeakPolarHBondContact O-CG2 3.29Å; L259-V263 PolarHBondContact O-N 3.27Å |
| 260 | A | 95.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 12% | 0.124 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I162 L227 A256 Q257 Q262 V263 Q264 | I162-A260 HydrophobicContact CD1-CB 3.64Å; L227-A260 HydrophobicContact CD1-CB 4.01Å; A256-A260 PolarHBondContact O-N 3.44Å; Q257-A260 PolarHBondContact O-N 2.66Å; A260-Q262 VanDerWaalsContact C-N 3.29Å; A260-Q262 PolarHBondContact O-N 3.23Å; A260-V263 WeakPolarHBondContact O-CB 3.25Å; A260-V263 PolarHBondContact O-N 3.24Å; A260-V263 VanDerWaalsContact O-N 3.15Å; A260-Q264 PolarHBondContact O-N 3.04Å |
| 261 | N | 95.1 | Very high | 93.2 | Very high | 50 Ų | 50 | 44 Ų | 44 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.9 | -37.2 | 174.9 | -69.4 | -8.5 | 0 | 0 | 0 | 111.6 | Q257 C258 L259 V263 Q264 L265 L302 | Q257-N261 PolarHBondContact NE2-OD1 3.03Å; Q257-N261 WeakPolarHBondContact O-CB 3.37Å; Q257-N261 PolarHBondContact O-N 3.11Å; Q257-N261 PolarHBondContact O-OD1 3.09Å; C258-N261 PolarHBondContact O-N 3.09Å; L259-N261 PolarHBondContact O-N 2.87Å; N261-V263 VanDerWaalsContact C-N 3.34Å; N261-Q264 PolarHBondContact O-N 2.86Å; N261-L265 PolarHBondContact O-N 3.24Å; N261-L302 HydrophobicContact CB-CD1 3.99Å; N261-L302 HydrophobicContact CB-CD2 4.02Å |
| 262 | Q | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 174.2 | -72.5 | 177.5 | 63.1 | 0 | 0 | 112.3 | Y186 A187 C258 L259 A260 Q264 L265 F266 L297 L302 | Y186-Q262 HydrophobicContact CD1-CB 3.72Å; Y186-Q262 HydrophobicContact CE1-CB 4.17Å; A187-Q262 VanDerWaalsContact N-OE1 3.12Å; A187-Q262 PolarHBondContact O-NE2 3.37Å; A187-Q262 PolarHBondContact O-OE1 3.43Å; C258-Q262 WeakPolarHBondContact O-CG 3.4Å; C258-Q262 PolarHBondContact O-N 2.94Å; C258-Q262 PolarHBondContact SG-NE2 2.86Å; L259-Q262 WeakPolarHBondContact O-CB 3.26Å; L259-Q262 PolarHBondContact O-N 2.95Å; L259-Q262 VanDerWaalsContact O-N 3.15Å; A260-Q262 VanDerWaalsContact C-N 3.29Å; A260-Q262 PolarHBondContact O-N 3.23Å; Q262-Q264 VanDerWaalsContact C-N 3.29Å; Q262-Q264 PolarHBondContact O-N 3.1Å; Q262-L265 WeakPolarHBondContact O-CB 3.46Å; Q262-L265 PolarHBondContact O-N 3.14Å; Q262-L265 VanDerWaalsContact O-N 3.14Å; Q262-F266 HydrophobicContact CB-CD2 4.14Å; Q262-F266 HydrophobicContact CB-CE2 4.19Å; Q262-F266 HydrophobicContact CG-CE2 4.42Å; Q262-F266 WeakPolarHBondContact O-CD2 3.22Å; Q262-F266 PolarHBondContact O-N 2.89Å; Q262-L297 VanDerWaalsContact CD-CD1 3.48Å; Q262-L297 HydrophobicContact CG-CD1 3.38Å; Q262-L302 HydrophobicContact CG-CD1 4.47Å |
| 263 | V | 96.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | I174 Y186 W201 L206 F208 L227 L259 A260 N261 L265 F266 Y267 | I174-V263 HydrophobicContact CG2-CG1 4.48Å; Y186-V263 HydrophobicContact CE1-CG2 3.82Å; W201-V263 HydrophobicContact CH2-CG1 4.32Å; W201-V263 HydrophobicContact CZ2-CG1 3.68Å; L206-V263 HydrophobicContact CD2-CB 4.35Å; L206-V263 HydrophobicContact CD2-CG1 4.05Å; L206-V263 HydrophobicContact CD2-CG2 3.32Å; F208-V263 HydrophobicContact CE2-CG2 4.47Å; F208-V263 HydrophobicContact CZ-CG2 3.67Å; L227-V263 HydrophobicContact CD1-CG2 4.45Å; L259-V263 WeakPolarHBondContact O-CG2 3.29Å; L259-V263 PolarHBondContact O-N 3.27Å; A260-V263 WeakPolarHBondContact O-CB 3.25Å; A260-V263 PolarHBondContact O-N 3.24Å; A260-V263 VanDerWaalsContact O-N 3.15Å; N261-V263 VanDerWaalsContact C-N 3.34Å; V263-L265 VanDerWaalsContact C-N 3.33Å; V263-L265 PolarHBondContact O-N 3.37Å; V263-F266 PolarHBondContact O-N 3.29Å; V263-Y267 WeakPolarHBondContact O-CB 3.45Å; V263-Y267 PolarHBondContact O-N 3.22Å |
| 264 | Q | 93.9 | Very high | 92.5 | Very high | 100 Ų | 100 | 52.3 Ų | 52.3 | 47% | 0.467 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -63 | -39.6 | 175.4 | -172.1 | 177.9 | -0.4 | 0 | 0 | 112 | A260 N261 Q262 G268 T269 | A260-Q264 PolarHBondContact O-N 3.04Å; N261-Q264 PolarHBondContact O-N 2.86Å; Q262-Q264 VanDerWaalsContact C-N 3.29Å; Q262-Q264 PolarHBondContact O-N 3.1Å; Q264-G268 CarbonylContact O-C 3.57Å; Q264-G268 WeakPolarHBondContact O-CA 3.14Å; Q264-G268 PolarHBondContact O-N 3.45Å; Q264-T269 PolarHBondContact O-N 3.31Å; Q264-T269 VanDerWaalsContact O-N 3.1Å |
| 265 | L | 94.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -60.9 | -52.1 | 177.1 | 177.6 | 60.2 | 0 | 0 | 0 | 111.9 | N261 Q262 V263 T269 T274 E296 S300 L302 | N261-L265 PolarHBondContact O-N 3.24Å; Q262-L265 WeakPolarHBondContact O-CB 3.46Å; Q262-L265 PolarHBondContact O-N 3.14Å; Q262-L265 VanDerWaalsContact O-N 3.14Å; V263-L265 VanDerWaalsContact C-N 3.33Å; V263-L265 PolarHBondContact O-N 3.37Å; L265-T269 HydrophobicContact CD1-CG2 4.17Å; L265-T269 WeakPolarHBondContact O-CB 3.25Å; L265-T269 WeakPolarHBondContact O-CG2 3.31Å; L265-T269 PolarHBondContact O-OG1 3.26Å; L265-T274 HydrophobicContact CD1-CG2 4.31Å; L265-E296 HydrophobicContact CD2-CG 4.42Å; L265-S300 WeakPolarHBondContact CD1-OG 3.1Å; L265-L302 HydrophobicContact CD2-CD1 4.16Å |
| 266 | F | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -83 | -36.8 | -172.1 | -70.8 | -66.8 | 0 | 0 | 0 | 113.6 | F184 Y186 Q262 V263 L277 V278 V293 E296 | F184-F266 HydrophobicContact CD1-CB 4.4Å; F184-F266 HydrophobicContact CD1-CD2 4.19Å; F184-F266 HydrophobicContact CD1-CG 4.23Å; F184-F266 HydrophobicContact CE1-CB 4.05Å; F184-F266 AromaticContact CE1-CD1 3.75Å; F184-F266 HydrophobicContact CE1-CD1 3.75Å; F184-F266 AromaticContact CE1-CD2 3.46Å; F184-F266 HydrophobicContact CE1-CD2 3.46Å; F184-F266 VanDerWaalsContact CE1-CD2 3.46Å; F184-F266 HydrophobicContact CE1-CE1 4.05Å; F184-F266 AromaticContact CE1-CE2 3.78Å; F184-F266 HydrophobicContact CE1-CE2 3.78Å; F184-F266 AromaticContact CE1-CG 3.46Å; F184-F266 HydrophobicContact CE1-CG 3.46Å; F184-F266 VanDerWaalsContact CE1-CG 3.46Å; F184-F266 HydrophobicContact CE1-CZ 4.07Å; F184-F266 AromaticContact CZ-CD1 3.85Å; F184-F266 HydrophobicContact CZ-CD1 3.85Å; F184-F266 HydrophobicContact CZ-CD2 4.35Å; F184-F266 HydrophobicContact CZ-CE1 4.02Å; F184-F266 HydrophobicContact CZ-CE2 4.49Å; F184-F266 HydrophobicContact CZ-CG 4.05Å; F184-F266 HydrophobicContact CZ-CZ 4.35Å; Y186-F266 HydrophobicContact CE1-CD2 4.45Å; Q262-F266 HydrophobicContact CB-CD2 4.14Å; Q262-F266 HydrophobicContact CB-CE2 4.19Å; Q262-F266 HydrophobicContact CG-CE2 4.42Å; Q262-F266 WeakPolarHBondContact O-CD2 3.22Å; Q262-F266 PolarHBondContact O-N 2.89Å; V263-F266 PolarHBondContact O-N 3.29Å; F266-L277 HydrophobicContact CE1-CD1 3.94Å; F266-V278 HydrophobicContact CB-CG2 3.76Å; F266-V278 HydrophobicContact CD1-CG2 4.48Å; F266-V278 HydrophobicContact CG-CG2 4.44Å; F266-V293 HydrophobicContact CE2-CG1 4.1Å; F266-V293 HydrophobicContact CZ-CG1 3.7Å; F266-E296 HydrophobicContact CE1-CB 4.32Å; F266-E296 HydrophobicContact CE1-CG 4.11Å; F266-E296 HydrophobicContact CZ-CB 4.46Å; F266-E296 HydrophobicContact CZ-CG 4.48Å |
| 267 | Y | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -101.3 | -29 | -178.4 | -73.3 | -98.4 | 0 | 0 | 0 | 113.4 | R177 C181 F184 Y186 W201 V263 Y275 V278 | R177-Y267 HydrophobicContact CB-CD1 3.81Å; R177-Y267 HydrophobicContact CB-CE1 4.45Å; R177-Y267 WeakPolarHBondContact CD-O 3.32Å; R177-Y267 PolarHBondContact NH1-O 3.18Å; C181-Y267 WeakPolarHBondContact O-CE1 3.3Å; C181-Y267 PolarHBondContact O-OH 2.92Å; F184-Y267 HydrophobicContact CB-CE2 4.12Å; Y186-Y267 VanDerWaalsContact OH-CE2 3.26Å; Y186-Y267 WeakPolarHBondContact OH-CE2 2.87Å; W201-Y267 AromaticContact NE1-CE1 3.85Å; W201-Y267 AromaticContact NE1-CZ 3.7Å; V263-Y267 WeakPolarHBondContact O-CB 3.45Å; V263-Y267 PolarHBondContact O-N 3.22Å; Y267-Y275 HydrophobicContact CD1-CE2 4.42Å; Y267-V278 HydrophobicContact CD2-CG2 4.49Å; Y267-V278 HydrophobicContact CE1-CG1 3.83Å; Y267-V278 HydrophobicContact CE2-CG1 3.97Å; Y267-V278 HydrophobicContact CE2-CG2 4.13Å; Y267-V278 VanDerWaalsContact CZ-CG1 3.42Å; Y267-V278 VanDerWaalsContact OH-CG1 3.24Å; Y267-V278 WeakPolarHBondContact OH-CG1 3.43Å |
| 268 | G | 91.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -95.7 | -23.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q264 | Q264-G268 CarbonylContact O-C 3.57Å; Q264-G268 WeakPolarHBondContact O-CA 3.14Å; Q264-G268 PolarHBondContact O-N 3.45Å |
| 269 | T | 87.5 | Confident | 92.6 | Very high | 35 Ų | 35 | 51.2 Ų | 51.2 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | trans | -75.8 | 147.5 | -177.3 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | R177 Q264 L265 R271 T274 | R177-T269 PolarHBondContact NH1-O 2.89Å; R177-T269 PolarHBondContact NH2-O 2.93Å; Q264-T269 PolarHBondContact O-N 3.31Å; Q264-T269 VanDerWaalsContact O-N 3.1Å; L265-T269 HydrophobicContact CD1-CG2 4.17Å; L265-T269 WeakPolarHBondContact O-CB 3.25Å; L265-T269 WeakPolarHBondContact O-CG2 3.31Å; L265-T269 PolarHBondContact O-OG1 3.26Å; T269-R271 PolarHBondContact O-N 3.07Å; T269-T274 PolarHBondContact OG1-OG1 3.42Å | ||
| 270 | Q | 83.9 | Confident | 92.5 | Very high | 192 Ų | 192 | 52.9 Ų | 52.9 | 90% | 0.897 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -75.6 | -6.8 | 174.3 | -65.2 | -172.9 | 18.4 | 0 | 0 | 113.1 | Q272 | Q270-Q272 PolarHBondContact O-N 2.65Š|
| 271 | R | 86.9 | Confident | 92.4 | Very high | 97 Ų | 97 | 52.5 Ų | 52.5 | 37% | 0.366 | 24% | 0.24 | S | C | . | . | trans | -66.6 | 116.5 | 175.9 | -74.3 | -166.6 | -76.6 | 155.4 | -0.9 | 109 | T269 E273 T274 E296 S300 | T269-R271 PolarHBondContact O-N 3.07Å; R271-E273 VanDerWaalsContact C-N 3.26Å; R271-E273 PolarHBondContact O-N 3.33Å; R271-T274 HydrophobicContact CB-CG2 4.06Å; R271-T274 PolarHBondContact O-N 2.94Å; R271-T274 PolarHBondContact O-OG1 2.99Å; R271-E296 IonicContact CZ-OE1 2.65Å; R271-E296 IonicContact NH1-OE1 3.23Å; R271-E296 PolarHBondContact NH1-OE1 2.98Å; R271-E296 IonicContact NH2-OE1 3.05Å; R271-E296 PolarHBondContact NH2-OE1 2.89Å; R271-S300 PolarHBondContact NH2-OG 2.93Å | ||
| 272 | Q | 84 | Confident | 92.3 | Very high | 149 Ų | 149 | 50.5 Ų | 50.5 | 70% | 0.696 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -69.5 | -28.4 | -178.4 | -167.4 | 170.3 | 4.8 | 0 | 0 | 112.1 | Q270 T274 Y275 R276 | Q270-Q272 PolarHBondContact O-N 2.65Å; Q272-T274 VanDerWaalsContact C-N 3.34Å; Q272-T274 PolarHBondContact O-N 3.05Å; Q272-Y275 PolarHBondContact O-N 2.99Å; Q272-R276 VanDerWaalsContact O-CB 3.28Å; Q272-R276 WeakPolarHBondContact O-CB 3.36Å; Q272-R276 PolarHBondContact O-N 3.47Å |
| 273 | E | 87.5 | Confident | 92.2 | Very high | 147 Ų | 147 | 56 Ų | 56 | 69% | 0.687 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62 | -39.3 | 178.8 | -63.6 | 173.2 | 173.6 | 0 | 0 | 112.5 | R271 | R271-E273 VanDerWaalsContact C-N 3.26Å; R271-E273 PolarHBondContact O-N 3.33Å |
| 274 | T | 91 | Very high | 92 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.4 | -46 | 178.9 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | L265 T269 R271 Q272 R276 L277 E296 | L265-T274 HydrophobicContact CD1-CG2 4.31Å; T269-T274 PolarHBondContact OG1-OG1 3.42Å; R271-T274 HydrophobicContact CB-CG2 4.06Å; R271-T274 PolarHBondContact O-N 2.94Å; R271-T274 PolarHBondContact O-OG1 2.99Å; Q272-T274 VanDerWaalsContact C-N 3.34Å; Q272-T274 PolarHBondContact O-N 3.05Å; T274-R276 VanDerWaalsContact C-N 3.31Å; T274-R276 PolarHBondContact O-N 3.46Å; T274-L277 WeakPolarHBondContact O-CB 3.4Å; T274-L277 PolarHBondContact O-N 3.4Å; T274-E296 HydrophobicContact CG2-CG 3.84Å; T274-E296 WeakPolarHBondContact CG2-OE1 3.31Å |
| 275 | Y | 94.2 | Very high | 91.7 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.6 | -30.8 | 178.2 | -176 | -119.8 | 0 | 0 | 0 | 112.6 | R177 C181 Y267 Q272 L277 V278 E279 | R177-Y275 WeakPolarHBondContact CA-OH 3.23Å; R177-Y275 HydrophobicContact CB-CD2 4.26Å; R177-Y275 HydrophobicContact CB-CE2 3.48Å; R177-Y275 VanDerWaalsContact CB-CE2 3.48Å; R177-Y275 HydrophobicContact CG-CD1 4.4Å; R177-Y275 HydrophobicContact CG-CD2 4.1Å; R177-Y275 HydrophobicContact CG-CE1 3.88Å; R177-Y275 HydrophobicContact CG-CE2 3.59Å; R177-Y275 HydrophobicContact CG-CG 4.49Å; R177-Y275 VanDerWaalsContact CG-CZ 3.44Å; R177-Y275 PolarHBondContact O-OH 2.88Å; C181-Y275 PolarHBondContact SG-OH 2.87Å; Y267-Y275 HydrophobicContact CD1-CE2 4.42Å; Q272-Y275 PolarHBondContact O-N 2.99Å; Y275-L277 PolarHBondContact O-N 3.09Å; Y275-V278 HydrophobicContact CD2-CB 3.92Å; Y275-V278 HydrophobicContact CD2-CG1 4.4Å; Y275-V278 HydrophobicContact CD2-CG2 4.16Å; Y275-V278 HydrophobicContact CE2-CB 4Å; Y275-V278 HydrophobicContact CE2-CG1 4.04Å; Y275-V278 WeakPolarHBondContact O-CA 3.45Å; Y275-V278 WeakPolarHBondContact O-CB 3.46Å; Y275-V278 PolarHBondContact O-N 3.17Å; Y275-E279 HydrophobicContact CD1-CG 3.87Å; Y275-E279 HydrophobicContact CE1-CG 3.49Å; Y275-E279 VanDerWaalsContact CE1-CG 3.49Å; Y275-E279 HydrophobicContact CE2-CG 4.48Å; Y275-E279 PolarHBondContact O-N 3.35Å |
| 276 | R | 94.4 | Very high | 91.4 | Very high | 158 Ų | 158 | 64.3 Ų | 64.3 | 60% | 0.596 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.4 | -32.1 | 176.4 | -173.7 | 176.4 | -178.5 | 176.5 | 2.2 | 112.6 | Q272 T274 V278 E279 M280 | Q272-R276 VanDerWaalsContact O-CB 3.28Å; Q272-R276 WeakPolarHBondContact O-CB 3.36Å; Q272-R276 PolarHBondContact O-N 3.47Å; T274-R276 VanDerWaalsContact C-N 3.31Å; T274-R276 PolarHBondContact O-N 3.46Å; R276-V278 VanDerWaalsContact C-N 3.27Å; R276-V278 PolarHBondContact O-N 3.45Å; R276-E279 PolarHBondContact O-N 3.03Å; R276-M280 HydrophobicContact CG-CG 4.39Å; R276-M280 HydrophobicContact CG-SD 4.35Å; R276-M280 WeakPolarHBondContact O-CB 3.45Å; R276-M280 VanDerWaalsContact O-CG 3.26Å; R276-M280 WeakPolarHBondContact O-CG 3.34Å; R276-M280 PolarHBondContact O-N 3.22Å |
| 277 | L | 94.6 | Very high | 91.1 | Very high | 22 Ų | 22 | 68.8 Ų | 68.8 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 173.6 | -65.6 | 173.2 | 0 | 0 | 0 | 111.6 | F184 F266 T274 Y275 F281 F288 E296 | F184-L277 HydrophobicContact CE2-CB 4.23Å; F184-L277 HydrophobicContact CZ-CB 4.17Å; F266-L277 HydrophobicContact CE1-CD1 3.94Å; T274-L277 WeakPolarHBondContact O-CB 3.4Å; T274-L277 PolarHBondContact O-N 3.4Å; Y275-L277 PolarHBondContact O-N 3.09Å; L277-F281 PolarHBondContact O-N 2.94Å; L277-F288 WeakPolarHBondContact O-CE2 3.41Å; L277-E296 HydrophobicContact CD1-CB 4.28Å |
| 278 | V | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.4 | -46.7 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | C181 F184 F266 Y267 Y275 R276 M280 F281 N282 | C181-V278 HydrophobicContact CB-CG1 3.66Å; F184-V278 HydrophobicContact CB-CG1 4.38Å; F184-V278 HydrophobicContact CD1-CG2 4.2Å; F184-V278 HydrophobicContact CD2-CB 4.01Å; F184-V278 HydrophobicContact CD2-CG1 4.09Å; F184-V278 HydrophobicContact CD2-CG2 3.8Å; F184-V278 HydrophobicContact CE1-CG2 4.19Å; F184-V278 HydrophobicContact CE2-CB 4.19Å; F184-V278 HydrophobicContact CE2-CG2 3.79Å; F184-V278 HydrophobicContact CG-CG1 4.33Å; F184-V278 HydrophobicContact CG-CG2 4Å; F184-V278 HydrophobicContact CZ-CG2 3.99Å; F266-V278 HydrophobicContact CB-CG2 3.76Å; F266-V278 HydrophobicContact CD1-CG2 4.48Å; F266-V278 HydrophobicContact CG-CG2 4.44Å; Y267-V278 HydrophobicContact CD2-CG2 4.49Å; Y267-V278 HydrophobicContact CE1-CG1 3.83Å; Y267-V278 HydrophobicContact CE2-CG1 3.97Å; Y267-V278 HydrophobicContact CE2-CG2 4.13Å; Y267-V278 VanDerWaalsContact CZ-CG1 3.42Å; Y267-V278 VanDerWaalsContact OH-CG1 3.24Å; Y267-V278 WeakPolarHBondContact OH-CG1 3.43Å; Y275-V278 HydrophobicContact CD2-CB 3.92Å; Y275-V278 HydrophobicContact CD2-CG1 4.4Å; Y275-V278 HydrophobicContact CD2-CG2 4.16Å; Y275-V278 HydrophobicContact CE2-CB 4Å; Y275-V278 HydrophobicContact CE2-CG1 4.04Å; Y275-V278 WeakPolarHBondContact O-CA 3.45Å; Y275-V278 WeakPolarHBondContact O-CB 3.46Å; Y275-V278 PolarHBondContact O-N 3.17Å; R276-V278 VanDerWaalsContact C-N 3.27Å; R276-V278 PolarHBondContact O-N 3.45Å; V278-M280 VanDerWaalsContact C-N 3.34Å; V278-M280 PolarHBondContact O-N 3.17Å; V278-F281 WeakPolarHBondContact O-CB 3.47Å; V278-F281 PolarHBondContact O-N 2.92Å; V278-N282 PolarHBondContact O-N 3.44Å; V278-N282 PolarHBondContact O-ND2 3.39Å |
| 279 | E | 94.8 | Very high | 90.8 | Very high | 71 Ų | 71 | 75.8 Ų | 75.8 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.8 | -67.7 | -179.4 | 126.9 | 0 | 0 | 111.5 | Y275 R276 F281 N282 H283 | Y275-E279 HydrophobicContact CD1-CG 3.87Å; Y275-E279 HydrophobicContact CE1-CG 3.49Å; Y275-E279 VanDerWaalsContact CE1-CG 3.49Å; Y275-E279 HydrophobicContact CE2-CG 4.48Å; Y275-E279 PolarHBondContact O-N 3.35Å; R276-E279 PolarHBondContact O-N 3.03Å; E279-F281 VanDerWaalsContact C-N 3.31Å; E279-F281 PolarHBondContact O-N 3.24Å; E279-N282 PolarHBondContact O-N 2.95Å; E279-H283 WeakPolarHBondContact O-CB 3.34Å; E279-H283 PolarHBondContact O-N 2.81Å |
| 280 | M | 93.8 | Very high | 90.8 | Very high | 36 Ų | 36 | 77.3 Ų | 77.3 | 18% | 0.177 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 176.1 | -74.9 | 177.6 | 66.7 | 0 | 0 | 111.4 | R276 V278 N282 Q284 D287 F288 | R276-M280 HydrophobicContact CG-CG 4.39Å; R276-M280 HydrophobicContact CG-SD 4.35Å; R276-M280 WeakPolarHBondContact O-CB 3.45Å; R276-M280 VanDerWaalsContact O-CG 3.26Å; R276-M280 WeakPolarHBondContact O-CG 3.34Å; R276-M280 PolarHBondContact O-N 3.22Å; V278-M280 VanDerWaalsContact C-N 3.34Å; V278-M280 PolarHBondContact O-N 3.17Å; M280-N282 VanDerWaalsContact C-N 3.32Å; M280-N282 PolarHBondContact O-N 3Å; M280-Q284 CarbonylContact O-C 3.41Å; M280-Q284 VanDerWaalsContact O-CA 3.3Å; M280-Q284 WeakPolarHBondContact O-CA 3.49Å; M280-Q284 PolarHBondContact O-N 3.39Å; M280-D287 HydrophobicContact CE-CB 3.77Å; M280-D287 WeakPolarHBondContact CE-O 3.45Å; M280-F288 HydrophobicContact CB-CD2 4.39Å |
| 281 | F | 94.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 73.6 Ų | 73.6 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 178.4 | -173.8 | -92.9 | 0 | 0 | 0 | 112.7 | I102 M183 F184 L185 L277 V278 E279 F288 | I102-F281 HydrophobicContact CD1-CD2 3.8Å; I102-F281 HydrophobicContact CD1-CE1 4.34Å; I102-F281 HydrophobicContact CD1-CE2 3.51Å; I102-F281 HydrophobicContact CD1-CG 4.34Å; I102-F281 HydrophobicContact CD1-CZ 3.81Å; I102-F281 HydrophobicContact CG1-CE1 4.3Å; I102-F281 HydrophobicContact CG1-CE2 3.97Å; I102-F281 HydrophobicContact CG1-CZ 3.77Å; M183-F281 HydrophobicContact CB-CD1 4.38Å; M183-F281 HydrophobicContact CB-CE1 3.9Å; M183-F281 WeakPolarHBondContact O-CD1 3.38Å; F184-F281 HydrophobicContact CD2-CB 3.91Å; F184-F281 HydrophobicContact CD2-CG 4.18Å; F184-F281 HydrophobicContact CE2-CB 4.24Å; L185-F281 HydrophobicContact CB-CD2 4.27Å; L185-F281 HydrophobicContact CB-CE2 3.89Å; L185-F281 HydrophobicContact CB-CZ 4.47Å; L277-F281 PolarHBondContact O-N 2.94Å; V278-F281 WeakPolarHBondContact O-CB 3.47Å; V278-F281 PolarHBondContact O-N 2.92Å; E279-F281 VanDerWaalsContact C-N 3.31Å; E279-F281 PolarHBondContact O-N 3.24Å; F281-F288 HydrophobicContact CB-CD2 3.66Å; F281-F288 HydrophobicContact CB-CE2 3.77Å; F281-F288 HydrophobicContact CB-CG 4.38Å; F281-F288 HydrophobicContact CD2-CD1 4.11Å; F281-F288 AromaticContact CD2-CD2 3.96Å; F281-F288 HydrophobicContact CD2-CD2 3.96Å; F281-F288 AromaticContact CD2-CE1 3.91Å; F281-F288 HydrophobicContact CD2-CE1 3.91Å; F281-F288 AromaticContact CD2-CE2 3.82Å; F281-F288 HydrophobicContact CD2-CE2 3.82Å; F281-F288 HydrophobicContact CD2-CG 4.07Å; F281-F288 AromaticContact CD2-CZ 3.75Å; F281-F288 HydrophobicContact CD2-CZ 3.75Å; F281-F288 HydrophobicContact CE2-CE1 4.46Å; F281-F288 HydrophobicContact CG-CD2 4.33Å; F281-F288 HydrophobicContact CG-CE2 4.26Å |
| 282 | N | 93.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.043 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -87.1 | -37.9 | -175.4 | -68.7 | -98 | 0 | 0 | 0 | 112.9 | C181 P182 M183 V278 E279 M280 | C181-N282 HydrophobicContact CB-CB 4.16Å; C181-N282 WeakPolarHBondContact CB-ND2 3.33Å; P182-N282 WeakPolarHBondContact CD-OD1 3.07Å; M183-N282 PolarHBondContact N-OD1 3.22Å; M183-N282 VanDerWaalsContact N-OD1 3.1Å; M183-N282 PolarHBondContact O-ND2 3.14Å; M183-N282 PolarHBondContact O-OD1 2.83Å; V278-N282 PolarHBondContact O-N 3.44Å; V278-N282 PolarHBondContact O-ND2 3.39Å; E279-N282 PolarHBondContact O-N 2.95Å; M280-N282 VanDerWaalsContact C-N 3.32Å; M280-N282 PolarHBondContact O-N 3Å |
| 283 | H | 92.8 | Very high | 91.8 | Very high | 115 Ų | 115 | 64.2 Ų | 64.2 | 53% | 0.532 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -106.7 | -24.8 | -171.5 | -58 | -46.1 | 0 | 0 | 0 | 113.9 | S180 E279 | S180-H283 PolarHBondContact O-CE1 2.99Å; E279-H283 WeakPolarHBondContact O-CB 3.34Å; E279-H283 PolarHBondContact O-N 2.81Å |
| 284 | Q | 91.5 | Very high | 92 | Very high | 103 Ų | 103 | 57.9 Ų | 57.9 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | trans | -136 | 58.4 | -177.7 | -60.7 | -173.6 | -56.1 | 0 | 0 | 111.4 | M280 E286 D287 F288 | M280-Q284 CarbonylContact O-C 3.41Å; M280-Q284 VanDerWaalsContact O-CA 3.3Å; M280-Q284 WeakPolarHBondContact O-CA 3.49Å; M280-Q284 PolarHBondContact O-N 3.39Å; Q284-E286 PolarHBondContact O-N 3.18Å; Q284-D287 PolarHBondContact O-N 3.38Å; Q284-F288 PolarHBondContact O-N 2.9Å | ||
| 285 | P | 88.5 | Confident | 92 | Very high | 22 Ų | 22 | 60.4 Ų | 60.4 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.2 | -171.6 | 25.3 | -36 | 0 | 0 | 0 | 114 | A99 I102 | A99-P285 HydrophobicContact CB-CB 4.46Å; A99-P285 HydrophobicContact CB-CG 4.31Å; I102-P285 HydrophobicContact CB-CB 4.03Å; I102-P285 HydrophobicContact CD1-CB 3.39Å; I102-P285 HydrophobicContact CG1-CB 4.27Å; I102-P285 HydrophobicContact CG2-CB 4.05Å; I102-P285 HydrophobicContact CG2-CG 4.45Å |
| 286 | E | 87.5 | Confident | 91.9 | Very high | 167 Ų | 167 | 60.3 Ų | 60.3 | 78% | 0.78 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -33.3 | 176.6 | -64.4 | -180 | -172.8 | 0 | 0 | 112.7 | A99 Q284 | A99-E286 HydrophobicContact CB-CG 3.66Å; Q284-E286 PolarHBondContact O-N 3.18Å |
| 287 | D | 88.8 | Confident | 91.6 | Very high | 94 Ų | 94 | 52.8 Ų | 52.8 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -10.8 | -179.2 | -69.2 | -38.4 | 0 | 0 | 0 | 112.6 | M280 Q284 | M280-D287 HydrophobicContact CE-CB 3.77Å; M280-D287 WeakPolarHBondContact CE-O 3.45Å; Q284-D287 PolarHBondContact O-N 3.38Å |
| 288 | F | 91.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | trans | -68.4 | 137.5 | -176.9 | 179 | -83.2 | 0 | 0 | 0 | 112.1 | F184 L185 L277 M280 F281 Q284 H290 V293 | F184-F288 AromaticContact CE2-CE2 3.93Å; F184-F288 HydrophobicContact CE2-CE2 3.93Å; F184-F288 HydrophobicContact CE2-CZ 4.42Å; L185-F288 HydrophobicContact CB-CZ 4.21Å; L185-F288 HydrophobicContact CD2-CE1 4.1Å; L185-F288 HydrophobicContact CD2-CZ 4.35Å; L277-F288 WeakPolarHBondContact O-CE2 3.41Å; M280-F288 HydrophobicContact CB-CD2 4.39Å; F281-F288 HydrophobicContact CB-CD2 3.66Å; F281-F288 HydrophobicContact CB-CE2 3.77Å; F281-F288 HydrophobicContact CB-CG 4.38Å; F281-F288 HydrophobicContact CD2-CD1 4.11Å; F281-F288 AromaticContact CD2-CD2 3.96Å; F281-F288 HydrophobicContact CD2-CD2 3.96Å; F281-F288 AromaticContact CD2-CE1 3.91Å; F281-F288 HydrophobicContact CD2-CE1 3.91Å; F281-F288 AromaticContact CD2-CE2 3.82Å; F281-F288 HydrophobicContact CD2-CE2 3.82Å; F281-F288 HydrophobicContact CD2-CG 4.07Å; F281-F288 AromaticContact CD2-CZ 3.75Å; F281-F288 HydrophobicContact CD2-CZ 3.75Å; F281-F288 HydrophobicContact CE2-CE1 4.46Å; F281-F288 HydrophobicContact CG-CD2 4.33Å; F281-F288 HydrophobicContact CG-CE2 4.26Å; Q284-F288 PolarHBondContact O-N 2.9Å; F288-H290 HydrophobicContact CE1-CB 4.16Å; F288-V293 HydrophobicContact CE2-CG2 4.04Å; F288-V293 HydrophobicContact CZ-CG2 3.58Å | ||
| 289 | K | 89.8 | Confident | 91 | Very high | 143 Ų | 143 | 63.9 Ų | 63.9 | 62% | 0.622 | 32% | 0.317 | S | S | * | . | trans | -127.3 | 114.8 | 177.8 | -63.7 | 176.8 | -174.5 | 174 | 0 | 110.5 | M291 S292 | K289-M291 PolarHBondContact O-N 3.42Å; K289-S292 WeakPolarHBondContact O-CB 3.45Å; K289-S292 PolarHBondContact O-N 3.33Å | ||
| 290 | H | 88.6 | Confident | 90.3 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 31% | 0.306 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.3 | -29.7 | 178.8 | 64.2 | -89.6 | 0 | 0 | 0 | 113.1 | L185 F196 F288 S292 V293 I294 | L185-H290 HydrophobicContact CD2-CB 3.8Å; F196-H290 HydrophobicContact CE1-CB 4.28Å; F196-H290 HydrophobicContact CZ-CB 4.13Å; F196-H290 AromaticContact CZ-CD2 3.75Å; F288-H290 HydrophobicContact CE1-CB 4.16Å; H290-S292 PolarHBondContact O-N 3.24Å; H290-V293 WeakPolarHBondContact O-CB 3.37Å; H290-V293 PolarHBondContact O-N 3.37Å; H290-I294 PolarHBondContact O-N 3.44Å |
| 291 | M | 90.9 | Very high | 89.6 | Confident | 115 Ų | 115 | 63.4 Ų | 63.4 | 57% | 0.567 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.6 | -28.2 | 175.9 | -67.2 | -56.7 | -60.7 | 0 | 0 | 113 | K289 V293 I294 A295 | K289-M291 PolarHBondContact O-N 3.42Å; M291-V293 VanDerWaalsContact C-N 3.32Å; M291-I294 HydrophobicContact CE-CD1 4.5Å; M291-I294 PolarHBondContact O-N 2.96Å; M291-I294 HydrophobicContact SD-CD1 4.06Å; M291-A295 PolarHBondContact O-N 3.32Å |
| 292 | S | 92 | Very high | 88.5 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 34% | 0.343 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.2 | -31.8 | 175.5 | -60 | 0 | 0 | 0 | 0 | 112.1 | K289 H290 E296 | K289-S292 WeakPolarHBondContact O-CB 3.45Å; K289-S292 PolarHBondContact O-N 3.33Å; H290-S292 PolarHBondContact O-N 3.24Å; S292-E296 PolarHBondContact O-N 3.11Å; S292-E296 VanDerWaalsContact O-N 3.09Å |
| 293 | V | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 173.7 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | F184 A187 F266 F288 H290 M291 E296 L297 | F184-V293 HydrophobicContact CE1-CG1 4.44Å; F184-V293 HydrophobicContact CE2-CG2 4.48Å; F184-V293 HydrophobicContact CZ-CG1 4.43Å; F184-V293 HydrophobicContact CZ-CG2 3.88Å; A187-V293 HydrophobicContact CB-CG1 4.34Å; F266-V293 HydrophobicContact CE2-CG1 4.1Å; F266-V293 HydrophobicContact CZ-CG1 3.7Å; F288-V293 HydrophobicContact CE2-CG2 4.04Å; F288-V293 HydrophobicContact CZ-CG2 3.58Å; H290-V293 WeakPolarHBondContact O-CB 3.37Å; H290-V293 PolarHBondContact O-N 3.37Å; M291-V293 VanDerWaalsContact C-N 3.32Å; V293-E296 PolarHBondContact O-N 3.29Å; V293-L297 WeakPolarHBondContact O-CB 3.29Å; V293-L297 PolarHBondContact O-N 3.42Å |
| 294 | I | 91.7 | Very high | 84.9 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 7% | 0.072 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 176.9 | -65 | 173.7 | 0 | 0 | 0 | 110.6 | A187 Y194 F196 H290 M291 E296 L297 E298 | A187-I294 HydrophobicContact CB-CG1 4.07Å; Y194-I294 HydrophobicContact CD2-CD1 3.72Å; Y194-I294 HydrophobicContact CD2-CG1 4.14Å; Y194-I294 HydrophobicContact CD2-CG2 4.03Å; Y194-I294 HydrophobicContact CE1-CG2 4.28Å; Y194-I294 HydrophobicContact CE2-CD1 4.24Å; Y194-I294 HydrophobicContact CE2-CG1 4.38Å; Y194-I294 HydrophobicContact CE2-CG2 3.43Å; Y194-I294 VanDerWaalsContact CE2-CG2 3.43Å; Y194-I294 HydrophobicContact CG-CD1 4.07Å; Y194-I294 HydrophobicContact CG-CG1 4.22Å; F196-I294 HydrophobicContact CE1-CD1 4.39Å; F196-I294 HydrophobicContact CE1-CG1 4.37Å; F196-I294 HydrophobicContact CZ-CD1 3.86Å; F196-I294 HydrophobicContact CZ-CG1 4.33Å; H290-I294 PolarHBondContact O-N 3.44Å; M291-I294 HydrophobicContact CE-CD1 4.5Å; M291-I294 PolarHBondContact O-N 2.96Å; M291-I294 HydrophobicContact SD-CD1 4.06Å; I294-E296 VanDerWaalsContact C-N 3.31Å; I294-E296 PolarHBondContact O-N 2.74Å; I294-L297 WeakPolarHBondContact O-CB 3.41Å; I294-L297 PolarHBondContact O-N 3.31Å; I294-L297 VanDerWaalsContact O-N 3.11Å; I294-E298 HydrophobicContact CG2-CG 4.32Å; I294-E298 WeakPolarHBondContact O-CG 3.16Å; I294-E298 PolarHBondContact O-N 3.31Å |
| 295 | A | 91.1 | Very high | 82.8 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 44% | 0.438 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | M291 L297 E298 Q299 | M291-A295 PolarHBondContact O-N 3.32Å; A295-L297 VanDerWaalsContact C-N 3.33Å; A295-L297 PolarHBondContact O-N 3.13Å; A295-E298 PolarHBondContact O-N 3.43Å; A295-Q299 WeakPolarHBondContact O-CB 3.45Å; A295-Q299 PolarHBondContact O-N 3.29Å |
| 296 | E | 91.2 | Very high | 80.5 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66 | -36.5 | 177.1 | -172.1 | 60.1 | -139.1 | 0 | 0 | 112.2 | L265 F266 R271 T274 L277 S292 V293 I294 S300 | L265-E296 HydrophobicContact CD2-CG 4.42Å; F266-E296 HydrophobicContact CE1-CB 4.32Å; F266-E296 HydrophobicContact CE1-CG 4.11Å; F266-E296 HydrophobicContact CZ-CB 4.46Å; F266-E296 HydrophobicContact CZ-CG 4.48Å; R271-E296 IonicContact CZ-OE1 2.65Å; R271-E296 IonicContact NH1-OE1 3.23Å; R271-E296 PolarHBondContact NH1-OE1 2.98Å; R271-E296 IonicContact NH2-OE1 3.05Å; R271-E296 PolarHBondContact NH2-OE1 2.89Å; T274-E296 HydrophobicContact CG2-CG 3.84Å; T274-E296 WeakPolarHBondContact CG2-OE1 3.31Å; L277-E296 HydrophobicContact CD1-CB 4.28Å; S292-E296 PolarHBondContact O-N 3.11Å; S292-E296 VanDerWaalsContact O-N 3.09Å; V293-E296 PolarHBondContact O-N 3.29Å; I294-E296 VanDerWaalsContact C-N 3.31Å; I294-E296 PolarHBondContact O-N 2.74Å; E296-S300 VanDerWaalsContact O-CB 3.3Å; E296-S300 WeakPolarHBondContact O-CB 3.36Å; E296-S300 PolarHBondContact O-N 3.46Å; E296-S300 PolarHBondContact O-OG 2.94Å; E296-S300 PolarHBondContact OE1-OG 2.94Å |
| 297 | L | 89.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 177 | -171.5 | 74.2 | 0 | 0 | 0 | 112 | A187 P189 Y194 Q262 V293 I294 A295 S300 G301 L302 G303 | A187-L297 HydrophobicContact CB-CD2 4.2Å; A187-L297 VanDerWaalsContact O-CD2 3.32Å; A187-L297 WeakPolarHBondContact O-CD2 3.3Å; P189-L297 HydrophobicContact CG-CD2 4.06Å; Y194-L297 HydrophobicContact CD1-CD2 4.49Å; Y194-L297 HydrophobicContact CE1-CD2 3.96Å; Q262-L297 VanDerWaalsContact CD-CD1 3.48Å; Q262-L297 HydrophobicContact CG-CD1 3.38Å; V293-L297 WeakPolarHBondContact O-CB 3.29Å; V293-L297 PolarHBondContact O-N 3.42Å; I294-L297 WeakPolarHBondContact O-CB 3.41Å; I294-L297 PolarHBondContact O-N 3.31Å; I294-L297 VanDerWaalsContact O-N 3.11Å; A295-L297 VanDerWaalsContact C-N 3.33Å; A295-L297 PolarHBondContact O-N 3.13Å; L297-S300 PolarHBondContact O-N 2.87Å; L297-G301 PolarHBondContact O-N 3.2Å; L297-L302 HydrophobicContact CD1-CB 3.44Å; L297-L302 VanDerWaalsContact CD1-CB 3.44Å; L297-L302 HydrophobicContact CD1-CD1 4.15Å; L297-L302 HydrophobicContact CD1-CG 4.45Å; L297-L302 HydrophobicContact CG-CB 4Å; L297-L302 PolarHBondContact O-N 3.46Å; L297-L302 VanDerWaalsContact O-N 3.09Å; L297-G303 PolarHBondContact O-N 3.17Å |
| 298 | E | 88.5 | Confident | 75.4 | Confident | 110 Ų | 110 | 62.2 Ų | 62.2 | 51% | 0.514 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.1 | -71.6 | 178.2 | 173.5 | 0 | 0 | 111.1 | Y194 I294 A295 S300 G301 | Y194-E298 VanDerWaalsContact OH-CG 3.26Å; Y194-E298 WeakPolarHBondContact OH-CG 3.32Å; Y194-E298 PolarHBondContact OH-OE1 2.9Å; I294-E298 HydrophobicContact CG2-CG 4.32Å; I294-E298 WeakPolarHBondContact O-CG 3.16Å; I294-E298 PolarHBondContact O-N 3.31Å; A295-E298 PolarHBondContact O-N 3.43Å; E298-S300 VanDerWaalsContact C-N 3.27Å; E298-S300 PolarHBondContact O-N 3.02Å; E298-G301 PolarHBondContact O-N 3.03Å; E298-G301 VanDerWaalsContact O-N 3.11Å |
| 299 | Q | 87.6 | Confident | 72.8 | Confident | 144 Ų | 144 | 65.4 Ų | 65.4 | 67% | 0.673 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62 | -35.3 | 176.5 | -175.5 | 175.7 | 5 | 0 | 0 | 112.4 | A295 G301 | A295-Q299 WeakPolarHBondContact O-CB 3.45Å; A295-Q299 PolarHBondContact O-N 3.29Å; Q299-G301 PolarHBondContact O-N 2.86Å |
| 300 | S | 81.9 | Confident | 70 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 26% | 0.259 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 1.3 | 179.1 | -59.7 | 0 | 0 | 0 | 0 | 113.5 | L265 R271 E296 L297 E298 L302 | L265-S300 WeakPolarHBondContact CD1-OG 3.1Å; R271-S300 PolarHBondContact NH2-OG 2.93Å; E296-S300 VanDerWaalsContact O-CB 3.3Å; E296-S300 WeakPolarHBondContact O-CB 3.36Å; E296-S300 PolarHBondContact O-N 3.46Å; E296-S300 PolarHBondContact O-OG 2.94Å; E296-S300 PolarHBondContact OE1-OG 2.94Å; L297-S300 PolarHBondContact O-N 2.87Å; E298-S300 VanDerWaalsContact C-N 3.27Å; E298-S300 PolarHBondContact O-N 3.02Å; S300-L302 VanDerWaalsContact C-N 3.26Å; S300-L302 PolarHBondContact O-N 3.29Å |
| 301 | G | 77.4 | Confident | 67.3 | Low | 60 Ų | 60 | 68.6 Ų | 68.6 | 62% | 0.619 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 6.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | L297 E298 Q299 | L297-G301 PolarHBondContact O-N 3.2Å; E298-G301 PolarHBondContact O-N 3.03Å; E298-G301 VanDerWaalsContact O-N 3.11Å; Q299-G301 PolarHBondContact O-N 2.86Å |
| 302 | L | 71.3 | Confident | 66.1 | Low | 48 Ų | 48 | 66.3 Ų | 66.3 | 25% | 0.251 | 49% | 0.485 | S | S | . | . | trans | -89.7 | -7.3 | 179.7 | -67.7 | 176.3 | 0 | 0 | 0 | 113 | N261 Q262 L265 L297 S300 | N261-L302 HydrophobicContact CB-CD1 3.99Å; N261-L302 HydrophobicContact CB-CD2 4.02Å; Q262-L302 HydrophobicContact CG-CD1 4.47Å; L265-L302 HydrophobicContact CD2-CD1 4.16Å; L297-L302 HydrophobicContact CD1-CB 3.44Å; L297-L302 VanDerWaalsContact CD1-CB 3.44Å; L297-L302 HydrophobicContact CD1-CD1 4.15Å; L297-L302 HydrophobicContact CD1-CG 4.45Å; L297-L302 HydrophobicContact CG-CB 4Å; L297-L302 PolarHBondContact O-N 3.46Å; L297-L302 VanDerWaalsContact O-N 3.09Å; S300-L302 VanDerWaalsContact C-N 3.26Å; S300-L302 PolarHBondContact O-N 3.29Å | ||
| 303 | G | 58.4 | Low | 64.7 | Low | 16 Ų | 16 | 67.2 Ų | 67.2 | 17% | 0.165 | 49% | 0.492 | C | S | . | . | trans | -81.7 | -4.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | L297 A305 | L297-G303 PolarHBondContact O-N 3.17Å; G303-A305 PolarHBondContact O-N 3.07Å | ||
| 304 | S | 52.3 | Low | 63.2 | Low | 95 Ų | 95 | 70.9 Ų | 70.9 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | trans | -83 | 98.8 | -177.8 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | G306 | S304-G306 VanDerWaalsContact C-N 3.29Å; S304-G306 PolarHBondContact O-N 2.88Å | ||
| 305 | A | 46.7 | Very low | 61.5 | Low | 60 Ų | 60 | 74.2 Ų | 74.2 | 50% | 0.496 | 55% | 0.546 | S | S | . | . | trans | -74.5 | 84 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P189 G303 | P189-A305 HydrophobicContact CB-CB 3.96Å; G303-A305 PolarHBondContact O-N 3.07Å | ||
| 306 | G | 42 | Very low | 59.6 | Low | 65 Ų | 65 | 75.6 Ų | 75.6 | 67% | 0.67 | 55% | 0.553 | S | S | * | * | trans | 54.7 | 90.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | S304 | S304-G306 VanDerWaalsContact C-N 3.29Å; S304-G306 PolarHBondContact O-N 2.88Å | ||
| 307 | A | 30.1 | Very low | 57.5 | Low | 85 Ų | 85 | 79.5 Ų | 79.5 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 116.1 | 140.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | G309 | A307-G309 PolarHBondContact O-N 2.72Š|
| 308 | P | 38.7 | Very low | 55.2 | Low | 122 Ų | 122 | 85.1 Ų | 85.1 | 79% | 0.792 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 124.9 | 167.8 | 26.2 | -28.5 | 0 | 0 | 0 | 107.2 | G310 | P308-G310 PolarHBondContact O-N 3.25Å; P308-G310 VanDerWaalsContact O-N 3.14Å |
| 309 | G | 35.3 | Very low | 52.7 | Low | 75 Ų | 75 | 83.2 Ų | 83.2 | 77% | 0.773 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 120.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A307 S311 | A307-G309 PolarHBondContact O-N 2.72Å; G309-S311 PolarHBondContact O-N 3.43Å |
| 310 | G | 31.5 | Very low | 49.8 | Very low | 79 Ų | 79 | 78.2 Ų | 78.2 | 81% | 0.814 | 63% | 0.631 | S | S | * | * | trans | -76.5 | 108.4 | 164 | 0 | 0 | 0 | 0 | 0 | 107.9 | P308 | P308-G310 PolarHBondContact O-N 3.25Å; P308-G310 VanDerWaalsContact O-N 3.14Å | ||
| 311 | S | 31.7 | Very low | 46.8 | Very low | 196 Ų | 196 | 81.9 Ų | 81.9 | 100% | 1.371 | 67% | 0.665 | S | S | * | * | trans | -59.2 | 0 | 163.7 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | G309 | G309-S311 PolarHBondContact O-N 3.43Š|
Retrieved 311 of 311 residues in 88.5 ms
(Link to these results)