| 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 | 47.8 | Very low | 42.6 | Very low | 250 Ų | 250 | 156.4 Ų | 156.4 | 100% | 1.232 | 87% | 0.874 | S | S | * | * | 0 | 126.1 | 0 | -76.3 | 176.7 | 172.8 | 0 | 0 | 108.4 | |||||
| 2 | T | 39.6 | Very low | 42.4 | Very low | 136 Ų | 136 | 153 Ų | 153 | 83% | 0.834 | 86% | 0.86 | S | S | * | * | trans | -97.2 | 138.6 | -159.9 | -19.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | R | 41.5 | Very low | 42.3 | Very low | 247 Ų | 247 | 158.9 Ų | 158.9 | 93% | 0.932 | 86% | 0.861 | S | S | * | * | trans | 174.9 | 108.4 | 150.3 | -102.2 | 170.5 | 166.9 | -170.4 | -4.7 | 107.1 | ||||
| 4 | A | 41 | Very low | 42 | Very low | 77 Ų | 77 | 153.1 Ų | 153.1 | 64% | 0.636 | 86% | 0.856 | S | S | * | * | cis | 76.1 | 106.7 | 48.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 5 | I | 42.2 | Very low | 42.1 | Very low | 167 Ų | 167 | 156.1 Ų | 156.1 | 86% | 0.856 | 86% | 0.856 | S | S | * | * | trans | 73.3 | 121.8 | 135.8 | -54.1 | 164.5 | 0 | 0 | 0 | 118.7 | ||||
| 6 | A | 43.6 | Very low | 42 | Very low | 96 Ų | 96 | 158.6 Ų | 158.6 | 79% | 0.793 | 86% | 0.86 | S | S | * | * | -174.5 | 113.1 | 115.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 7 | A | 46.1 | Very low | 42.1 | Very low | 103 Ų | 103 | 157.1 Ų | 157.1 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | trans | -75.7 | 124.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 8 | G | 38 | Very low | 42 | Very low | 78 Ų | 78 | 158.6 Ų | 158.6 | 80% | 0.804 | 86% | 0.86 | S | S | * | * | trans | -101.4 | 91.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | S10 | G8-S10 PolarHBondContact O-N 3.44Š| ||
| 9 | R | 44.9 | Very low | 42.1 | Very low | 244 Ų | 244 | 155.3 Ų | 155.3 | 92% | 0.921 | 86% | 0.856 | S | S | * | * | trans | -74.3 | 110.5 | 162.5 | -89.1 | 176.6 | 169.9 | 171 | -2.9 | 108.3 | ||||
| 10 | S | 41.5 | Very low | 42.2 | Very low | 135 Ų | 135 | 151.9 Ų | 151.9 | 94% | 0.944 | 85% | 0.849 | S | S | * | * | trans | -84.1 | 115.5 | 165 | -71.7 | 0 | 0 | 0 | 0 | 109.9 | G8 | G8-S10 PolarHBondContact O-N 3.44Š| ||
| 11 | K | 42.6 | Very low | 42.7 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 81% | 0.813 | 85% | 0.851 | S | S | * | * | trans | -108.7 | 149.8 | 177.6 | 178.1 | 126.9 | -179.6 | 176.1 | 0 | 108.8 | ||||
| 12 | V | 39.6 | Very low | 42.2 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 70% | 0.703 | 83% | 0.832 | S | S | * | * | trans | 71.5 | 125.2 | 165.6 | -130 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 13 | R | 41.2 | Very low | 42.3 | Very low | 230 Ų | 230 | 151.7 Ų | 151.7 | 87% | 0.868 | 84% | 0.836 | S | S | * | * | -150 | 113.3 | 58.8 | -72.8 | 171.7 | -75.5 | -130.1 | 1.7 | 111.9 | K15 | R13-K15 PolarHBondContact O-N 3.48Š| |||
| 14 | G | 39 | Very low | 42.3 | Very low | 77 Ų | 77 | 146.6 Ų | 146.6 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -65.2 | 123.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | E16 | G14-E16 PolarHBondContact O-N 3.1Š| ||
| 15 | K | 43.2 | Very low | 42.3 | Very low | 199 Ų | 199 | 154.3 Ų | 154.3 | 87% | 0.865 | 85% | 0.845 | S | S | * | * | trans | -83 | 108.4 | 167.8 | -70.7 | 179.4 | 177.4 | 178.6 | 0 | 106.3 | R13 V17 | R13-K15 PolarHBondContact O-N 3.48Å; K15-V17 PolarHBondContact O-N 3.25Å | ||
| 16 | E | 39.6 | Very low | 42.2 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | trans | -64.9 | 121.1 | 169.9 | -156.9 | 165.7 | -170 | 0 | 0 | 107.8 | G14 | G14-E16 PolarHBondContact O-N 3.1Š| ||
| 17 | V | 45 | Very low | 42 | Very low | 133 Ų | 133 | 153 Ų | 153 | 81% | 0.806 | 85% | 0.845 | S | S | * | * | trans | -85.4 | 113.1 | -178.1 | -176.3 | 0 | 0 | 0 | 0 | 106.9 | K15 A19 | K15-V17 PolarHBondContact O-N 3.25Å; V17-A19 PolarHBondContact O-N 3.46Å | ||
| 18 | M | 39.6 | Very low | 41.9 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | trans | -66.1 | 110.6 | 174.8 | -164.3 | 88.4 | 174.5 | 0 | 0 | 109.2 | A20 | M18-A20 PolarHBondContact O-N 3.44Š| ||
| 19 | A | 43.3 | Very low | 42.3 | Very low | 95 Ų | 95 | 152.8 Ų | 152.8 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -73.4 | 110.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V17 | V17-A19 PolarHBondContact O-N 3.46Š| ||
| 20 | A | 45.4 | Very low | 42.1 | Very low | 88 Ų | 88 | 148.8 Ų | 148.8 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -88.9 | 120.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | M18 C22 | M18-A20 PolarHBondContact O-N 3.44Å; A20-C22 PolarHBondContact O-N 2.71Å; A20-C22 VanDerWaalsContact O-N 3.14Å | ||
| 21 | L | 51.7 | Low | 42.4 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -60.5 | 109.5 | 169 | -90.5 | 89.5 | 0 | 0 | 0 | 110.1 | R23 | L21-R23 PolarHBondContact O-N 3.46Š| ||
| 22 | C | 37.1 | Very low | 42.5 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -79.8 | 111.6 | 162.2 | -75.5 | 0 | 0 | 0 | 0 | 109.4 | A20 T24 | A20-C22 PolarHBondContact O-N 2.71Å; A20-C22 VanDerWaalsContact O-N 3.14Å; C22-T24 PolarHBondContact O-N 2.78Å | ||
| 23 | R | 42.3 | Very low | 42.4 | Very low | 242 Ų | 242 | 149.4 Ų | 149.4 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | trans | -62.8 | 122.6 | 167.3 | -73 | 177.8 | 174 | -176 | -2.8 | 109.6 | L21 R25 | L21-R23 PolarHBondContact O-N 3.46Å; R23-R25 PolarHBondContact O-N 2.95Å | ||
| 24 | T | 41.9 | Very low | 42.4 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -68.6 | 116.4 | 166.3 | 47.2 | 0 | 0 | 0 | 0 | 109.7 | C22 | C22-T24 PolarHBondContact O-N 2.78Š| ||
| 25 | R | 40.9 | Very low | 42.6 | Very low | 239 Ų | 239 | 151.8 Ų | 151.8 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -94.4 | 109.7 | 156.3 | -93 | -175.4 | 163.5 | -177.7 | -4.7 | 107.6 | R23 V27 | R23-R25 PolarHBondContact O-N 2.95Å; R25-V27 PolarHBondContact O-N 3.02Å | ||
| 26 | A | 40.8 | Very low | 42.4 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -63.8 | 121.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 27 | V | 38.9 | Very low | 42.3 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -99.4 | 114.6 | 164.3 | 176.4 | 0 | 0 | 0 | 0 | 105.7 | R25 A29 | R25-V27 PolarHBondContact O-N 3.02Å; V27-A29 PolarHBondContact O-N 2.7Å | ||
| 28 | A | 43.1 | Very low | 41.9 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -59.7 | 131.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E30 | A28-E30 PolarHBondContact O-N 2.79Š| ||
| 29 | A | 47 | Very low | 41.8 | Very low | 89 Ų | 89 | 146 Ų | 146 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -74.6 | 106.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V27 S31 | V27-A29 PolarHBondContact O-N 2.7Å; A29-S31 PolarHBondContact O-N 3.28Å | ||
| 30 | E | 41.4 | Very low | 41.6 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -82.3 | 100.1 | 161.4 | -69.1 | -143.2 | 154.4 | 0 | 0 | 108.7 | A28 H32 | A28-E30 PolarHBondContact O-N 2.79Å; E30-H32 PolarHBondContact O-N 2.93Å | ||
| 31 | S | 46.6 | Very low | 41.6 | Very low | 101 Ų | 101 | 153.7 Ų | 153.7 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -78 | 95 | 172.4 | -51.3 | 0 | 0 | 0 | 0 | 107.4 | A29 F33 | A29-S31 PolarHBondContact O-N 3.28Å; S31-F33 VanDerWaalsContact C-N 3.3Å; S31-F33 PolarHBondContact O-N 3.21Å | ||
| 32 | H | 44.4 | Very low | 41 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -69 | 97.2 | 166.5 | -71.1 | -63.6 | 0 | 0 | 0 | 108.3 | E30 L34 | E30-H32 PolarHBondContact O-N 2.93Å; H32-L34 PolarHBondContact O-N 3.32Å | ||
| 33 | F | 37.5 | Very low | 41.1 | Very low | 190 Ų | 190 | 155.7 Ų | 155.7 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -48.6 | 104 | 164.2 | -118.3 | -101.6 | 0 | 0 | 0 | 108.4 | S31 R35 | S31-F33 VanDerWaalsContact C-N 3.3Å; S31-F33 PolarHBondContact O-N 3.21Å; F33-R35 PolarHBondContact O-N 2.85Å | ||
| 34 | L | 42.7 | Very low | 41 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -66.3 | 94.9 | 161.4 | -74.6 | 172 | 0 | 0 | 0 | 106.3 | H32 V36 | H32-L34 PolarHBondContact O-N 3.32Å; L34-V36 VanDerWaalsContact C-N 3.28Å; L34-V36 PolarHBondContact O-N 3.49Å | ||
| 35 | R | 42.6 | Very low | 40.8 | Very low | 195 Ų | 195 | 152 Ų | 152 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -65.8 | 95.3 | 168.9 | -139.1 | 179.6 | -175.7 | 173.1 | 0.9 | 106.5 | F33 F37 | F33-R35 PolarHBondContact O-N 2.85Å; R35-F37 VanDerWaalsContact C-N 3.33Å; R35-F37 HydrophobicContact CB-CE2 4.24Å; R35-F37 HydrophobicContact CG-CE2 4.45Å; R35-F37 PolarHBondContact O-N 2.82Å | ||
| 36 | V | 38.6 | Very low | 41 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | trans | -61.9 | 98.9 | 167.5 | -178.3 | 0 | 0 | 0 | 0 | 106.5 | L34 L38 | L34-V36 VanDerWaalsContact C-N 3.28Å; L34-V36 PolarHBondContact O-N 3.49Å; V36-L38 VanDerWaalsContact C-N 3.31Å; V36-L38 HydrophobicContact CG1-CD2 4.3Å; V36-L38 HydrophobicContact CG1-CG 3.98Å; V36-L38 PolarHBondContact O-N 3.2Å; V36-L38 VanDerWaalsContact O-N 3.11Å | ||
| 37 | F | 37.8 | Very low | 40.6 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | trans | -76.1 | 92.4 | 162.5 | -76.3 | -79.5 | 0 | 0 | 0 | 107.2 | R35 F39 | R35-F37 VanDerWaalsContact C-N 3.33Å; R35-F37 HydrophobicContact CB-CE2 4.24Å; R35-F37 HydrophobicContact CG-CE2 4.45Å; R35-F37 PolarHBondContact O-N 2.82Å; F37-F39 HydrophobicContact CB-CD2 4.1Å; F37-F39 HydrophobicContact CB-CE2 4.28Å; F37-F39 PolarHBondContact O-N 3.39Å | ||
| 38 | L | 37 | Very low | 40.8 | Very low | 150 Ų | 150 | 145.3 Ų | 145.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -64.6 | 89.7 | 158.3 | -73 | 168.7 | 0 | 0 | 0 | 107.4 | V36 S40 | V36-L38 VanDerWaalsContact C-N 3.31Å; V36-L38 HydrophobicContact CG1-CD2 4.3Å; V36-L38 HydrophobicContact CG1-CG 3.98Å; V36-L38 PolarHBondContact O-N 3.2Å; V36-L38 VanDerWaalsContact O-N 3.11Å; L38-S40 VanDerWaalsContact C-N 3.27Å; L38-S40 PolarHBondContact O-N 2.86Å | ||
| 39 | F | 35.9 | Very low | 40.5 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -74.5 | 89.8 | 160.7 | -93.1 | -83.2 | 0 | 0 | 0 | 107.8 | F37 R41 | F37-F39 HydrophobicContact CB-CD2 4.1Å; F37-F39 HydrophobicContact CB-CE2 4.28Å; F37-F39 PolarHBondContact O-N 3.39Å; F39-R41 PolarHBondContact O-N 2.88Å | ||
| 40 | S | 40.2 | Very low | 40.2 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -57.9 | 103.4 | 159.2 | -68.1 | 0 | 0 | 0 | 0 | 108.1 | L38 P42 | L38-S40 VanDerWaalsContact C-N 3.27Å; L38-S40 PolarHBondContact O-N 2.86Å; S40-P42 WeakPolarHBondContact O-CD 3.37Å | ||
| 41 | R | 45.8 | Very low | 39.8 | Very low | 233 Ų | 233 | 145.3 Ų | 145.3 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 120.1 | 166.7 | -74.9 | -175.9 | 166.2 | -142.4 | -1.9 | 108.1 | F39 F43 | F39-R41 PolarHBondContact O-N 2.88Å; R41-F43 PolarHBondContact O-N 3.43Å |
| 42 | P | 39.4 | Very low | 39.9 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 124.2 | 159.7 | 27.6 | -25.7 | 0 | 0 | 0 | 108.3 | S40 R44 | S40-P42 WeakPolarHBondContact O-CD 3.37Å; P42-R44 PolarHBondContact O-N 3.37Å |
| 43 | F | 39 | Very low | 39.4 | Very low | 216 Ų | 216 | 146.5 Ų | 146.5 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 118.9 | 161.7 | -111.9 | -102.3 | 0 | 0 | 0 | 108.4 | R41 | R41-F43 PolarHBondContact O-N 3.43Š|
| 44 | R | 40.3 | Very low | 39.7 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -130.8 | 95.1 | 163.3 | -137.9 | 178.5 | -147.9 | -112.6 | 2.9 | 107.7 | P42 | P42-R44 PolarHBondContact O-N 3.37Š| ||
| 45 | G | 37.9 | Very low | 39.1 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -79.1 | 129.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 46 | V | 44.5 | Very low | 38.7 | Very low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -158.4 | 111.3 | 159.6 | 173.4 | 0 | 0 | 0 | 0 | 102 | ||||
| 47 | G | 33.2 | Very low | 38.7 | Very low | 61 Ų | 61 | 134 Ų | 134 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | 111.7 | 104.2 | 64.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 48 | T | 42.7 | Very low | 38.4 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -72.4 | 123 | 174.7 | -48.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 49 | E | 35.3 | Very low | 39 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -138.6 | 108.9 | 160.7 | 47.7 | -159.7 | 138.7 | 0 | 0 | 109.1 | ||||
| 50 | G | 41.5 | Very low | 39.1 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -76.3 | 119.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 51 | G | 32.7 | Very low | 39 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | -112.8 | 109.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 52 | S | 48.3 | Very low | 38.7 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -80.1 | 130.4 | 165.1 | -161.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 53 | D | 33.8 | Very low | 39.4 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -150 | 130.5 | 153.8 | -125.6 | -9.1 | 0 | 0 | 0 | 111.2 | ||||
| 54 | S | 43.7 | Very low | 40.3 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -86.9 | 134.9 | -177.3 | 59 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 55 | G | 30.6 | Very low | 41.4 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -167.5 | 124.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 56 | S | 33.8 | Very low | 42.8 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -62 | 142.1 | -167.6 | -176.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 57 | S | 39.6 | Very low | 44.5 | Very low | 95 Ų | 95 | 124.2 Ų | 124.2 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | 55.4 | 112.9 | 142.3 | 61.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 58 | T | 32 | Very low | 46.9 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | -173.9 | 140.1 | 107.2 | 29.2 | 0 | 0 | 0 | 0 | 109.2 | T60 | T58-T60 PolarHBondContact O-N 3.5Š| |||
| 59 | A | 48.8 | Very low | 49.1 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -67.8 | 110.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 60 | T | 37.4 | Very low | 51.7 | Low | 129 Ų | 129 | 119 Ų | 119 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -160.7 | 112.7 | 149.1 | -13.2 | 0 | 0 | 0 | 0 | 107.7 | T58 P62 | T58-T60 PolarHBondContact O-N 3.5Å; T60-P62 WeakPolarHBondContact O-CD 3.48Å | ||
| 61 | E | 38.3 | Very low | 53.8 | Low | 182 Ų | 182 | 116.3 Ų | 116.3 | 85% | 0.85 | 72% | 0.722 | S | S | * | * | trans | -47.1 | 117.3 | -179.3 | -70 | -74.7 | 133 | 0 | 0 | 111.9 | K63 | E61-K63 PolarHBondContact O-N 3.07Š| ||
| 62 | P | 40.3 | Very low | 56.3 | Low | 111 Ų | 111 | 115 Ų | 115 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | trans | -75.9 | 111.1 | 172 | 29.6 | -28.5 | 0 | 0 | 0 | 107.5 | T60 T64 | T60-P62 WeakPolarHBondContact O-CD 3.48Å; P62-T64 VanDerWaalsContact C-N 3.32Å; P62-T64 PolarHBondContact O-N 3.45Å | ||
| 63 | K | 52.7 | Low | 58.2 | Low | 201 Ų | 201 | 113.9 Ų | 113.9 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | trans | -56.3 | 100.6 | 166 | -73.9 | -177.4 | 177.4 | -176.7 | 0 | 107.8 | E61 R65 | E61-K63 PolarHBondContact O-N 3.07Å; K63-R65 PolarHBondContact O-N 2.91Å | ||
| 64 | T | 59.6 | Low | 60.8 | Low | 122 Ų | 122 | 110.4 Ų | 110.4 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | trans | -46.9 | 119.5 | 168.6 | 2.6 | 0 | 0 | 0 | 0 | 107 | P62 L66 | P62-T64 VanDerWaalsContact C-N 3.32Å; P62-T64 PolarHBondContact O-N 3.45Å; T64-L66 VanDerWaalsContact C-N 3.34Å; T64-L66 PolarHBondContact O-N 2.8Å | ||
| 65 | R | 62.7 | Low | 62.9 | Low | 247 Ų | 247 | 111.9 Ų | 111.9 | 93% | 0.932 | 65% | 0.654 | S | S | * | * | trans | -59.6 | 100 | -178.9 | -71.1 | -173.9 | 177 | -171.9 | 0.2 | 107.9 | K63 G67 | K63-R65 PolarHBondContact O-N 2.91Å; R65-G67 PolarHBondContact O-N 3.36Å | ||
| 66 | L | 67.1 | Low | 65.5 | Low | 94 Ų | 94 | 114.1 Ų | 114.1 | 49% | 0.492 | 64% | 0.642 | S | S | . | * | trans | -58.2 | 127.1 | 177.8 | -66.7 | 174.1 | 0 | 0 | 0 | 107.8 | T64 A70 E74 | T64-L66 VanDerWaalsContact C-N 3.34Å; T64-L66 PolarHBondContact O-N 2.8Å; L66-A70 HydrophobicContact CB-CB 3.9Å; L66-A70 HydrophobicContact CD2-CB 4.44Å; L66-E74 WeakPolarHBondContact CD1-OE2 3.47Å | ||
| 67 | G | 80.3 | Confident | 67.9 | Low | 48 Ų | 48 | 111.3 Ų | 111.3 | 50% | 0.495 | 62% | 0.623 | S | S | . | * | trans | -57.4 | 167.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R65 F69 A70 S71 | R65-G67 PolarHBondContact O-N 3.36Å; G67-F69 VanDerWaalsContact C-N 3.28Å; G67-F69 PolarHBondContact O-N 2.92Å; G67-F69 VanDerWaalsContact O-N 3.08Å; G67-A70 PolarHBondContact O-N 3.27Å; G67-S71 PolarHBondContact O-N 3.36Å | ||
| 68 | G | 84.6 | Confident | 70 | Confident | 67 Ų | 67 | 112.2 Ų | 112.2 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -51 | -41 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A72 | G68-A72 PolarHBondContact O-N 3Å; G68-A72 VanDerWaalsContact O-N 3.15Å |
| 69 | F | 87.6 | Confident | 72.1 | Confident | 170 Ų | 170 | 111 Ų | 111 | 75% | 0.746 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.4 | -43.6 | 178.3 | -172.6 | -97.4 | 0 | 0 | 0 | 113.1 | G67 S71 A72 L73 | G67-F69 VanDerWaalsContact C-N 3.28Å; G67-F69 PolarHBondContact O-N 2.92Å; G67-F69 VanDerWaalsContact O-N 3.08Å; F69-S71 VanDerWaalsContact C-N 3.31Å; F69-S71 PolarHBondContact O-N 3Å; F69-A72 PolarHBondContact O-N 3.04Å; F69-A72 VanDerWaalsContact O-N 3.15Å; F69-L73 HydrophobicContact CE1-CD1 4.37Å; F69-L73 PolarHBondContact O-N 3.14Å; F69-L73 VanDerWaalsContact O-N 3.07Å |
| 70 | A | 89.7 | Confident | 73.4 | Confident | 41 Ų | 41 | 111.9 Ų | 111.9 | 34% | 0.339 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.8 | -40.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L66 G67 A72 L73 E74 | L66-A70 HydrophobicContact CB-CB 3.9Å; L66-A70 HydrophobicContact CD2-CB 4.44Å; G67-A70 PolarHBondContact O-N 3.27Å; A70-A72 VanDerWaalsContact C-N 3.34Å; A70-A72 PolarHBondContact O-N 3.08Å; A70-L73 PolarHBondContact O-N 2.77Å; A70-E74 PolarHBondContact O-N 3.22Å; A70-E74 VanDerWaalsContact O-N 3.1Å |
| 71 | S | 86.1 | Confident | 74.8 | Confident | 27 Ų | 27 | 113.2 Ų | 113.2 | 19% | 0.189 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -68.6 | -29.4 | 175.4 | -174.6 | 0 | 0 | 0 | 0 | 113.2 | G67 F69 R75 | G67-S71 PolarHBondContact O-N 3.36Å; F69-S71 VanDerWaalsContact C-N 3.31Å; F69-S71 PolarHBondContact O-N 3Å; S71-R75 WeakPolarHBondContact O-CG 3.27Å; S71-R75 PolarHBondContact O-N 3.12Å; S71-R75 PolarHBondContact O-NH1 3.2Å; S71-R75 VanDerWaalsContact OG-CZ 3.3Å; S71-R75 PolarHBondContact OG-NH1 3.33Å; S71-R75 PolarHBondContact OG-NH2 3.49Å |
| 72 | A | 86.4 | Confident | 76.1 | Confident | 52 Ų | 52 | 113.3 Ų | 113.3 | 43% | 0.43 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.6 | -40.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G68 F69 A70 R75 Q76 | G68-A72 PolarHBondContact O-N 3Å; G68-A72 VanDerWaalsContact O-N 3.15Å; F69-A72 PolarHBondContact O-N 3.04Å; F69-A72 VanDerWaalsContact O-N 3.15Å; A70-A72 VanDerWaalsContact C-N 3.34Å; A70-A72 PolarHBondContact O-N 3.08Å; A72-R75 PolarHBondContact O-N 2.94Å; A72-Q76 PolarHBondContact O-N 2.85Å; A72-Q76 VanDerWaalsContact O-N 3.1Å |
| 73 | L | 87.3 | Confident | 76.9 | Confident | 98 Ų | 98 | 113.6 Ų | 113.6 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66 | -41.5 | 178.1 | -168.2 | 147.6 | 0 | 0 | 0 | 111.6 | F69 A70 Q76 S77 | F69-L73 HydrophobicContact CE1-CD1 4.37Å; F69-L73 PolarHBondContact O-N 3.14Å; F69-L73 VanDerWaalsContact O-N 3.07Å; A70-L73 PolarHBondContact O-N 2.77Å; L73-Q76 WeakPolarHBondContact O-CB 3.34Å; L73-Q76 PolarHBondContact O-N 2.88Å; L73-S77 PolarHBondContact O-N 3.17Å; L73-S77 PolarHBondContact O-OG 2.69Å |
| 74 | E | 89.1 | Confident | 76.9 | Confident | 90 Ų | 90 | 111.4 Ų | 111.4 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.3 | -46.4 | 176.6 | -165.9 | 172.2 | -148.8 | 0 | 0 | 111.7 | L66 A70 Q76 S77 E78 | L66-E74 WeakPolarHBondContact CD1-OE2 3.47Å; A70-E74 PolarHBondContact O-N 3.22Å; A70-E74 VanDerWaalsContact O-N 3.1Å; E74-Q76 VanDerWaalsContact C-N 3.28Å; E74-Q76 PolarHBondContact O-N 2.94Å; E74-S77 WeakPolarHBondContact CA-OG 3.47Å; E74-S77 PolarHBondContact O-N 2.99Å; E74-S77 VanDerWaalsContact O-N 3.17Å; E74-S77 PolarHBondContact O-OG 2.88Å; E74-E78 WeakPolarHBondContact O-CG 3.44Å; E74-E78 PolarHBondContact O-N 2.84Å |
| 75 | R | 87.5 | Confident | 76.3 | Confident | 147 Ų | 147 | 111.1 Ų | 111.1 | 56% | 0.555 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.5 | -38.1 | 174.4 | -72.7 | -177.4 | -172.4 | 99.3 | 2.2 | 112.6 | S71 A72 L79 | S71-R75 WeakPolarHBondContact O-CG 3.27Å; S71-R75 PolarHBondContact O-N 3.12Å; S71-R75 PolarHBondContact O-NH1 3.2Å; S71-R75 VanDerWaalsContact OG-CZ 3.3Å; S71-R75 PolarHBondContact OG-NH1 3.33Å; S71-R75 PolarHBondContact OG-NH2 3.49Å; A72-R75 PolarHBondContact O-N 2.94Å; R75-L79 VanDerWaalsContact O-CG 3.31Å; R75-L79 WeakPolarHBondContact O-CG 3.43Å; R75-L79 PolarHBondContact O-N 3.39Å; R75-L79 VanDerWaalsContact O-N 3.12Å |
| 76 | Q | 84.1 | Confident | 76.1 | Confident | 126 Ų | 126 | 111 Ų | 111 | 59% | 0.589 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67 | -41.6 | 177.8 | -168.5 | -177.4 | 10.1 | 0 | 0 | 111.3 | A72 L73 E74 L79 L80 | A72-Q76 PolarHBondContact O-N 2.85Å; A72-Q76 VanDerWaalsContact O-N 3.1Å; L73-Q76 WeakPolarHBondContact O-CB 3.34Å; L73-Q76 PolarHBondContact O-N 2.88Å; E74-Q76 VanDerWaalsContact C-N 3.28Å; E74-Q76 PolarHBondContact O-N 2.94Å; Q76-L79 PolarHBondContact O-N 2.81Å; Q76-L80 WeakPolarHBondContact O-CG 3.38Å; Q76-L80 PolarHBondContact O-N 2.95Å; Q76-L80 VanDerWaalsContact O-N 3.1Å |
| 77 | S | 85.1 | Confident | 75.3 | Confident | 50 Ų | 50 | 118.4 Ų | 118.4 | 35% | 0.35 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.7 | -38.5 | 176.2 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | L73 E74 L80 Q81 | L73-S77 PolarHBondContact O-N 3.17Å; L73-S77 PolarHBondContact O-OG 2.69Å; E74-S77 WeakPolarHBondContact CA-OG 3.47Å; E74-S77 PolarHBondContact O-N 2.99Å; E74-S77 VanDerWaalsContact O-N 3.17Å; E74-S77 PolarHBondContact O-OG 2.88Å; S77-L80 PolarHBondContact O-N 2.98Å; S77-Q81 PolarHBondContact O-N 2.87Å; S77-Q81 VanDerWaalsContact O-N 3.1Å |
| 78 | E | 83.4 | Confident | 73.6 | Confident | 115 Ų | 115 | 119.6 Ų | 119.6 | 54% | 0.537 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.3 | -39.6 | 175.2 | -72.3 | 177.3 | 168.8 | 0 | 0 | 112.1 | E74 Q81 K82 | E74-E78 WeakPolarHBondContact O-CG 3.44Å; E74-E78 PolarHBondContact O-N 2.84Å; E78-Q81 PolarHBondContact O-N 3.44Å; E78-K82 WeakPolarHBondContact O-CB 3.42Å; E78-K82 PolarHBondContact O-N 3.24Å |
| 79 | L | 76.9 | Confident | 72.4 | Confident | 112 Ų | 112 | 121.1 Ų | 121.1 | 59% | 0.586 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.1 | -39.4 | 176.3 | -71.4 | 173.4 | 0 | 0 | 0 | 112.1 | R75 Q76 Q81 K82 V83 | R75-L79 VanDerWaalsContact O-CG 3.31Å; R75-L79 WeakPolarHBondContact O-CG 3.43Å; R75-L79 PolarHBondContact O-N 3.39Å; R75-L79 VanDerWaalsContact O-N 3.12Å; Q76-L79 PolarHBondContact O-N 2.81Å; L79-Q81 VanDerWaalsContact C-N 3.33Å; L79-Q81 PolarHBondContact O-N 3.37Å; L79-K82 PolarHBondContact O-N 2.86Å; L79-V83 VanDerWaalsContact O-CG2 3.22Å; L79-V83 WeakPolarHBondContact O-CG2 3.3Å; L79-V83 PolarHBondContact O-N 2.87Å; L79-V83 VanDerWaalsContact O-N 3.1Å |
| 80 | L | 74.8 | Confident | 71.1 | Confident | 121 Ų | 121 | 118.7 Ų | 118.7 | 63% | 0.634 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.6 | -38.9 | 175.6 | -69.5 | 173.5 | 0 | 0 | 0 | 111.9 | Q76 S77 | Q76-L80 WeakPolarHBondContact O-CG 3.38Å; Q76-L80 PolarHBondContact O-N 2.95Å; Q76-L80 VanDerWaalsContact O-N 3.1Å; S77-L80 PolarHBondContact O-N 2.98Å |
| 81 | Q | 67.5 | Low | 69.9 | Low | 157 Ų | 157 | 125.5 Ų | 125.5 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.7 | -34.2 | 175 | -73.2 | -175.2 | 4.2 | 0 | 0 | 112.9 | S77 E78 L79 | S77-Q81 PolarHBondContact O-N 2.87Å; S77-Q81 VanDerWaalsContact O-N 3.1Å; E78-Q81 PolarHBondContact O-N 3.44Å; L79-Q81 VanDerWaalsContact C-N 3.33Å; L79-Q81 PolarHBondContact O-N 3.37Å |
| 82 | K | 65.8 | Low | 69.2 | Low | 184 Ų | 184 | 131.8 Ų | 131.8 | 80% | 0.8 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79.7 | -18.1 | -176.9 | -157.6 | 171.5 | -175.5 | 179.9 | 0 | 113.5 | E78 L79 | E78-K82 WeakPolarHBondContact O-CB 3.42Å; E78-K82 PolarHBondContact O-N 3.24Å; L79-K82 PolarHBondContact O-N 2.86Å |
| 83 | V | 57.7 | Low | 69.3 | Low | 117 Ų | 117 | 135.3 Ų | 135.3 | 71% | 0.709 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -11.9 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 112.7 | L79 P85 | L79-V83 VanDerWaalsContact O-CG2 3.22Å; L79-V83 WeakPolarHBondContact O-CG2 3.3Å; L79-V83 PolarHBondContact O-N 2.87Å; L79-V83 VanDerWaalsContact O-N 3.1Å; V83-P85 WeakPolarHBondContact O-CD 3.29Å |
| 84 | E | 51 | Low | 69.5 | Low | 155 Ų | 155 | 134.3 Ų | 134.3 | 72% | 0.724 | 68% | 0.678 | S | S | * | * | trans | -78.3 | 112.5 | 172.4 | -67.8 | -138.9 | 151.5 | 0 | 0 | 111.5 | ||||
| 85 | P | 48.2 | Very low | 69.8 | Low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 68% | 0.677 | S | S | * | * | trans | -79.1 | 140.5 | 169.6 | 29.1 | -19.3 | 0 | 0 | 0 | 109.3 | V83 R87 | V83-P85 WeakPolarHBondContact O-CD 3.29Å; P85-R87 PolarHBondContact O-N 2.9Å | ||
| 86 | R | 57.6 | Low | 70.3 | Confident | 245 Ų | 245 | 132.9 Ų | 132.9 | 93% | 0.925 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -43.8 | 101.7 | 163.8 | -74 | 173.2 | 162.6 | 170.4 | -5.6 | 111.3 | ||
| 87 | R | 51.1 | Low | 70.9 | Confident | 249 Ų | 249 | 129 Ų | 129 | 94% | 0.94 | 67% | 0.672 | S | S | * | * | trans | 166.1 | 119.7 | 143.7 | -94.4 | 172.9 | -162.4 | -153.7 | 5.8 | 110.4 | P85 | P85-R87 PolarHBondContact O-N 2.9Š| ||
| 88 | G | 44.6 | Very low | 71.5 | Confident | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 121.2 | 129.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 89 | S | 58.3 | Low | 72.1 | Confident | 100 Ų | 100 | 127.7 Ų | 127.7 | 70% | 0.699 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -42.7 | 151.9 | 158.9 | 42.1 | 0 | 0 | 0 | 0 | 109.4 | K91 | S89-K91 PolarHBondContact O-N 3.05Š|
| 90 | P | 62.2 | Low | 73.1 | Confident | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | trans | -49.3 | 111 | 170.9 | 22.1 | -31.7 | 0 | 0 | 0 | 105.9 | N92 | P90-N92 PolarHBondContact O-N 2.94Š| ||
| 91 | K | 62.5 | Low | 74.2 | Confident | 185 Ų | 185 | 129.4 Ų | 129.4 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | trans | -49.5 | 123.8 | 173.4 | -72.4 | 176.8 | -179.7 | 173.5 | 0 | 103.1 | S89 V93 | S89-K91 PolarHBondContact O-N 3.05Å; K91-V93 WeakPolarHBondContact O-CG2 3.34Å; K91-V93 PolarHBondContact O-N 2.86Å | ||
| 92 | N | 73.1 | Confident | 75.5 | Confident | 159 Ų | 159 | 129.7 Ų | 129.7 | 85% | 0.85 | 66% | 0.656 | S | S | * | * | trans | -55.8 | 90.5 | -174.9 | -176.4 | -17.7 | 0 | 0 | 0 | 107.9 | P90 E94 | P90-N92 PolarHBondContact O-N 2.94Å; N92-E94 PolarHBondContact O-N 3.04Å; N92-E94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | V | 87 | Confident | 77 | Confident | 125 Ų | 125 | 122.2 Ų | 122.2 | 76% | 0.758 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 116.2 | -175 | 179.3 | 0 | 0 | 0 | 0 | 103.8 | K91 S95 | K91-V93 WeakPolarHBondContact O-CG2 3.34Å; K91-V93 PolarHBondContact O-N 2.86Å; V93-S95 PolarHBondContact O-N 2.96Å; V93-S95 VanDerWaalsContact O-N 3.12Å |
| 94 | E | 92.4 | Very high | 78.9 | Confident | 77 Ų | 77 | 121.7 Ų | 121.7 | 36% | 0.36 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 122.2 | -178.8 | -173.2 | 172.4 | -151.8 | 0 | 0 | 109.2 | N92 S98 M99 R102 | N92-E94 PolarHBondContact O-N 3.04Å; N92-E94 VanDerWaalsContact O-N 3.16Å; E94-S98 VanDerWaalsContact CG-CB 3.43Å; E94-M99 HydrophobicContact CB-CG 4.46Å; E94-M99 HydrophobicContact CG-CG 3.82Å; E94-R102 WeakPolarHBondContact OE1-CD 3.46Å; E94-R102 IonicContact OE1-CZ 3.74Å; E94-R102 IonicContact OE1-NE 2.91Å; E94-R102 IonicContact OE1-NH1 2.74Å; E94-R102 PolarHBondContact OE1-NH1 2.86Å |
| 95 | S | 96.1 | Very high | 81 | Confident | 58 Ų | 58 | 118.7 Ų | 118.7 | 41% | 0.406 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 154.7 | 177 | 78.7 | 0 | 0 | 0 | 0 | 111.1 | V93 A97 S98 M99 | V93-S95 PolarHBondContact O-N 2.96Å; V93-S95 VanDerWaalsContact O-N 3.12Å; S95-A97 PolarHBondContact O-N 3.46Å; S95-S98 WeakPolarHBondContact O-CA 3.48Å; S95-S98 WeakPolarHBondContact O-CB 3.42Å; S95-S98 PolarHBondContact O-N 2.75Å; S95-S98 PolarHBondContact OG-N 3.29Å; S95-S98 VanDerWaalsContact OG-N 3.11Å; S95-S98 PolarHBondContact OG-OG 3.33Å; S95-M99 PolarHBondContact O-N 3.14Å |
| 96 | F | 96.9 | Very high | 83.3 | Confident | 149 Ų | 149 | 117.4 Ų | 117.4 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -54.1 | -40.3 | 172.1 | 172.7 | -102.9 | 0 | 0 | 0 | 112.5 | S98 M99 L100 | F96-S98 VanDerWaalsContact C-N 3.28Å; F96-S98 PolarHBondContact O-N 3.4Å; F96-M99 HydrophobicContact CB-CE 4.47Å; F96-M99 PolarHBondContact O-N 3.43Å; F96-L100 HydrophobicContact CE1-CB 4.47Å; F96-L100 HydrophobicContact CE1-CD2 3.98Å; F96-L100 HydrophobicContact CZ-CB 4.42Å; F96-L100 HydrophobicContact CZ-CD2 4.16Å; F96-L100 WeakPolarHBondContact O-CB 3.43Å; F96-L100 PolarHBondContact O-N 3.33Å |
| 97 | A | 97.4 | Very high | 85.2 | Confident | 46 Ų | 46 | 112 Ų | 112 | 38% | 0.38 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.7 | -37.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | S95 R101 | S95-A97 PolarHBondContact O-N 3.46Å; A97-R101 WeakPolarHBondContact O-CB 3.26Å; A97-R101 WeakPolarHBondContact O-CD 3.21Å; A97-R101 WeakPolarHBondContact O-CG 3.38Å; A97-R101 PolarHBondContact O-N 3.05Å |
| 98 | S | 96.6 | Very high | 87.3 | Confident | 40 Ų | 40 | 102.2 Ų | 102.2 | 28% | 0.28 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.9 | -46.4 | 175.5 | -60 | 0 | 0 | 0 | 0 | 111.5 | E94 S95 F96 R101 R102 | E94-S98 VanDerWaalsContact CG-CB 3.43Å; S95-S98 WeakPolarHBondContact O-CA 3.48Å; S95-S98 WeakPolarHBondContact O-CB 3.42Å; S95-S98 PolarHBondContact O-N 2.75Å; S95-S98 PolarHBondContact OG-N 3.29Å; S95-S98 VanDerWaalsContact OG-N 3.11Å; S95-S98 PolarHBondContact OG-OG 3.33Å; F96-S98 VanDerWaalsContact C-N 3.28Å; F96-S98 PolarHBondContact O-N 3.4Å; S98-R101 PolarHBondContact O-N 3.5Å; S98-R102 WeakPolarHBondContact O-CG 3.35Å; S98-R102 PolarHBondContact O-N 2.91Å |
| 99 | M | 97.3 | Very high | 89.8 | Confident | 96 Ų | 96 | 100.6 Ų | 100.6 | 47% | 0.473 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 175.6 | -68.9 | -171.4 | -76.6 | 0 | 0 | 111.6 | E94 S95 F96 R101 R102 S103 | E94-M99 HydrophobicContact CB-CG 4.46Å; E94-M99 HydrophobicContact CG-CG 3.82Å; S95-M99 PolarHBondContact O-N 3.14Å; F96-M99 HydrophobicContact CB-CE 4.47Å; F96-M99 PolarHBondContact O-N 3.43Å; M99-R101 PolarHBondContact O-N 2.74Å; M99-R102 CarbonylContact O-C 3.54Å; M99-R102 PolarHBondContact O-N 2.74Å; M99-S103 PolarHBondContact O-N 2.74Å |
| 100 | L | 96.9 | Very high | 91.6 | Very high | 75 Ų | 75 | 100.9 Ų | 100.9 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | -179.2 | -177.1 | 62.7 | 0 | 0 | 0 | 111.4 | F96 R102 S103 I106 | F96-L100 HydrophobicContact CE1-CB 4.47Å; F96-L100 HydrophobicContact CE1-CD2 3.98Å; F96-L100 HydrophobicContact CZ-CB 4.42Å; F96-L100 HydrophobicContact CZ-CD2 4.16Å; F96-L100 WeakPolarHBondContact O-CB 3.43Å; F96-L100 PolarHBondContact O-N 3.33Å; L100-R102 PolarHBondContact O-N 2.88Å; L100-S103 WeakPolarHBondContact O-CB 3.39Å; L100-S103 PolarHBondContact O-N 3.4Å; L100-S103 VanDerWaalsContact O-N 3.1Å; L100-S103 PolarHBondContact O-OG 3.36Å; L100-I106 HydrophobicContact CD1-CD1 4.2Å; L100-I106 HydrophobicContact CD1-CG1 3.76Å; L100-I106 HydrophobicContact CG-CG1 4.06Å; L100-I106 WeakPolarHBondContact O-CB 3.42Å; L100-I106 VanDerWaalsContact O-CG1 3.25Å; L100-I106 WeakPolarHBondContact O-CG1 3.48Å |
| 101 | R | 96.9 | Very high | 93.2 | Very high | 195 Ų | 195 | 95.8 Ų | 95.8 | 74% | 0.736 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -29.4 | 177.3 | -74.4 | 171.4 | -173.9 | -166.5 | 2.9 | 113.1 | A97 S98 M99 | A97-R101 WeakPolarHBondContact O-CB 3.26Å; A97-R101 WeakPolarHBondContact O-CD 3.21Å; A97-R101 WeakPolarHBondContact O-CG 3.38Å; A97-R101 PolarHBondContact O-N 3.05Å; S98-R101 PolarHBondContact O-N 3.5Å; M99-R101 PolarHBondContact O-N 2.74Å |
| 102 | R | 96.7 | Very high | 94.8 | Very high | 163 Ų | 163 | 95 Ų | 95 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -95 | -1.9 | 178.7 | -63.6 | 172.6 | -171.9 | 178.6 | -3.5 | 113.5 | E94 S98 M99 L100 Q107 | E94-R102 WeakPolarHBondContact OE1-CD 3.46Å; E94-R102 IonicContact OE1-CZ 3.74Å; E94-R102 IonicContact OE1-NE 2.91Å; E94-R102 IonicContact OE1-NH1 2.74Å; E94-R102 PolarHBondContact OE1-NH1 2.86Å; S98-R102 WeakPolarHBondContact O-CG 3.35Å; S98-R102 PolarHBondContact O-N 2.91Å; M99-R102 CarbonylContact O-C 3.54Å; M99-R102 PolarHBondContact O-N 2.74Å; L100-R102 PolarHBondContact O-N 2.88Å; R102-Q107 PolarHBondContact O-NE2 3.22Å; R102-Q107 VanDerWaalsContact O-NE2 3.15Å |
| 103 | S | 97.2 | Very high | 95.9 | Very high | 27 Ų | 27 | 88.7 Ų | 88.7 | 19% | 0.189 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -69.8 | 144.1 | -177.6 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | M99 L100 L105 I106 Q107 | M99-S103 PolarHBondContact O-N 2.74Å; L100-S103 WeakPolarHBondContact O-CB 3.39Å; L100-S103 PolarHBondContact O-N 3.4Å; L100-S103 VanDerWaalsContact O-N 3.1Å; L100-S103 PolarHBondContact O-OG 3.36Å; S103-L105 PolarHBondContact O-N 3.37Å; S103-I106 PolarHBondContact O-N 3.4Å; S103-I106 VanDerWaalsContact O-N 3.16Å; S103-I106 VanDerWaalsContact OG-CG1 3.28Å; S103-I106 WeakPolarHBondContact OG-CG1 3.29Å; S103-I106 PolarHBondContact OG-N 3.42Å; S103-Q107 WeakPolarHBondContact O-CG 3.37Å; S103-Q107 PolarHBondContact O-N 2.92Å |
| 104 | P | 96.7 | Very high | 96.4 | Very high | 106 Ų | 106 | 86.8 Ų | 86.8 | 69% | 0.688 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -57 | -35.5 | 179.3 | -27.4 | 35.3 | 0 | 0 | 0 | 113.4 | Q107 M108 | P104-Q107 PolarHBondContact O-N 3.28Å; P104-M108 WeakPolarHBondContact O-CB 3.33Å; P104-M108 PolarHBondContact O-N 3.32Å |
| 105 | L | 95.6 | Very high | 96.7 | Very high | 91 Ų | 91 | 87.9 Ų | 87.9 | 48% | 0.476 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 179.2 | -177.4 | 64.2 | 0 | 0 | 0 | 111.7 | S103 M108 L163 | S103-L105 PolarHBondContact O-N 3.37Å; L105-M108 HydrophobicContact CD1-CE 4.18Å; L105-L163 HydrophobicContact CD1-CD1 3.97Å |
| 106 | I | 96.6 | Very high | 96.7 | Very high | 89 Ų | 89 | 86.5 Ų | 86.5 | 46% | 0.456 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72.4 | -39.2 | 178.3 | -63.2 | -60.6 | 0 | 0 | 0 | 110.9 | L100 S103 M108 G109 | L100-I106 HydrophobicContact CD1-CD1 4.2Å; L100-I106 HydrophobicContact CD1-CG1 3.76Å; L100-I106 HydrophobicContact CG-CG1 4.06Å; L100-I106 WeakPolarHBondContact O-CB 3.42Å; L100-I106 VanDerWaalsContact O-CG1 3.25Å; L100-I106 WeakPolarHBondContact O-CG1 3.48Å; S103-I106 PolarHBondContact O-N 3.4Å; S103-I106 VanDerWaalsContact O-N 3.16Å; S103-I106 VanDerWaalsContact OG-CG1 3.28Å; S103-I106 WeakPolarHBondContact OG-CG1 3.29Å; S103-I106 PolarHBondContact OG-N 3.42Å; I106-M108 VanDerWaalsContact C-N 3.31Å; I106-M108 PolarHBondContact O-N 3.46Å; I106-G109 PolarHBondContact O-N 3.4Å |
| 107 | Q | 96.3 | Very high | 96.8 | Very high | 133 Ų | 133 | 83 Ų | 83 | 62% | 0.621 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.3 | -30.2 | 178.4 | -71.4 | 178 | -11.1 | 0 | 0 | 113.5 | R102 S103 P104 G109 | R102-Q107 PolarHBondContact O-NE2 3.22Å; R102-Q107 VanDerWaalsContact O-NE2 3.15Å; S103-Q107 WeakPolarHBondContact O-CG 3.37Å; S103-Q107 PolarHBondContact O-N 2.92Å; P104-Q107 PolarHBondContact O-N 3.28Å; Q107-G109 VanDerWaalsContact C-N 3.26Å; Q107-G109 PolarHBondContact O-N 2.98Å |
| 108 | M | 96 | Very high | 96.8 | Very high | 42 Ų | 42 | 80.9 Ų | 80.9 | 21% | 0.207 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.3 | -32.4 | 179.1 | -179 | 180 | 66.2 | 0 | 0 | 112.8 | P104 L105 I106 A111 K114 V116 L160 | P104-M108 WeakPolarHBondContact O-CB 3.33Å; P104-M108 PolarHBondContact O-N 3.32Å; L105-M108 HydrophobicContact CD1-CE 4.18Å; I106-M108 VanDerWaalsContact C-N 3.31Å; I106-M108 PolarHBondContact O-N 3.46Å; M108-A111 HydrophobicContact CE-CB 4Å; M108-K114 HydrophobicContact CG-CB 4.29Å; M108-K114 HydrophobicContact CG-CD 4.05Å; M108-K114 HydrophobicContact CG-CG 3.86Å; M108-K114 VanDerWaalsContact O-CE 3.24Å; M108-K114 WeakPolarHBondContact O-CE 3.01Å; M108-K114 PolarHBondContact O-NZ 2.94Å; M108-K114 HydrophobicContact SD-CB 3.96Å; M108-K114 HydrophobicContact SD-CG 4.07Å; M108-V116 HydrophobicContact SD-CG1 4.12Å; M108-L160 HydrophobicContact CE-CD1 4.2Å; M108-L160 HydrophobicContact SD-CD1 4.11Å |
| 109 | G | 96.1 | Very high | 96.9 | Very high | 38 Ų | 38 | 86.5 Ų | 86.5 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | trans | 72.2 | -148.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.5 | I106 Q107 A111 | I106-G109 PolarHBondContact O-N 3.4Å; Q107-G109 VanDerWaalsContact C-N 3.26Å; Q107-G109 PolarHBondContact O-N 2.98Å; G109-A111 PolarHBondContact O-N 3.47Å | ||
| 110 | P | 96.6 | Very high | 97 | Very high | 107 Ų | 107 | 81.9 Ų | 81.9 | 70% | 0.695 | 41% | 0.412 | S | S | * | . | trans | -55.6 | 129.8 | 179.2 | -24.9 | 34.1 | 0 | 0 | 0 | 111.9 | K112 K114 | P110-K112 PolarHBondContact O-N 3.16Å; P110-K114 WeakPolarHBondContact O-CE 3.49Å; P110-K114 WeakPolarHBondContact O-CG 3.36Å | ||
| 111 | A | 95.4 | Very high | 97 | Very high | 11 Ų | 11 | 82.3 Ų | 82.3 | 9% | 0.091 | 41% | 0.411 | C | S | . | . | trans | -72.5 | -28.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M108 G109 G113 K114 L160 L163 | M108-A111 HydrophobicContact CE-CB 4Å; G109-A111 PolarHBondContact O-N 3.47Å; A111-G113 PolarHBondContact O-N 3.21Å; A111-G113 VanDerWaalsContact O-N 3.14Å; A111-K114 VanDerWaalsContact O-CB 3.26Å; A111-K114 WeakPolarHBondContact O-CB 3.36Å; A111-K114 VanDerWaalsContact O-CG 3.24Å; A111-K114 WeakPolarHBondContact O-CG 3.33Å; A111-K114 PolarHBondContact O-N 3.43Å; A111-L160 HydrophobicContact CB-CB 4.34Å; A111-L160 HydrophobicContact CB-CD1 4.26Å; A111-L160 WeakPolarHBondContact O-CB 3.35Å; A111-L163 HydrophobicContact CB-CD1 3.94Å; A111-L163 HydrophobicContact CB-CD2 3.89Å; A111-L163 HydrophobicContact CB-CG 3.56Å | ||
| 112 | K | 97 | Very high | 97.1 | Very high | 167 Ų | 167 | 77.1 Ų | 77.1 | 73% | 0.726 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 120 | -174.4 | -171 | 169.8 | -175.1 | 167.7 | 0 | 111.9 | P110 K114 L161 | P110-K112 PolarHBondContact O-N 3.16Å; K112-K114 VanDerWaalsContact C-N 3.31Å; K112-K114 PolarHBondContact O-N 2.99Å; K112-L161 WeakPolarHBondContact CA-O 3.15Å |
| 113 | G | 96.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 71.4 Ų | 71.4 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 2.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A111 L160 | A111-G113 PolarHBondContact O-N 3.21Å; A111-G113 VanDerWaalsContact O-N 3.14Å; G113-L160 PolarHBondContact N-O 2.73Å |
| 114 | K | 97.6 | Very high | 97.2 | Very high | 84 Ų | 84 | 72.8 Ų | 72.8 | 37% | 0.365 | 38% | 0.383 | S | S | . | . | trans | -74.3 | 141.4 | 178.6 | -61.5 | -71.2 | 178.1 | 166.9 | 0 | 110.9 | M108 P110 A111 K112 R159 L160 | M108-K114 HydrophobicContact CG-CB 4.29Å; M108-K114 HydrophobicContact CG-CD 4.05Å; M108-K114 HydrophobicContact CG-CG 3.86Å; M108-K114 VanDerWaalsContact O-CE 3.24Å; M108-K114 WeakPolarHBondContact O-CE 3.01Å; M108-K114 PolarHBondContact O-NZ 2.94Å; M108-K114 HydrophobicContact SD-CB 3.96Å; M108-K114 HydrophobicContact SD-CG 4.07Å; P110-K114 WeakPolarHBondContact O-CE 3.49Å; P110-K114 WeakPolarHBondContact O-CG 3.36Å; A111-K114 VanDerWaalsContact O-CB 3.26Å; A111-K114 WeakPolarHBondContact O-CB 3.36Å; A111-K114 VanDerWaalsContact O-CG 3.24Å; A111-K114 WeakPolarHBondContact O-CG 3.33Å; A111-K114 PolarHBondContact O-N 3.43Å; K112-K114 VanDerWaalsContact C-N 3.31Å; K112-K114 PolarHBondContact O-N 2.99Å; K114-R159 CarbonylContact O-C 3.55Å; K114-R159 WeakPolarHBondContact O-CA 3.45Å; K114-L160 PolarHBondContact O-N 3.31Å | ||
| 115 | L | 97.8 | Very high | 97.2 | Very high | 101 Ų | 101 | 75.5 Ų | 75.5 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.4 | 174.7 | -62.6 | -177.9 | 0 | 0 | 0 | 109.8 | L158 R159 L186 | L115-L158 WeakPolarHBondContact CA-O 3.36Å; L115-R159 HydrophobicContact CD2-CB 3.95Å; L115-R159 HydrophobicContact CD2-CG 4.19Å; L115-L186 HydrophobicContact CD2-CD1 3.44Å; L115-L186 VanDerWaalsContact CD2-CD1 3.44Å |
| 116 | V | 97.6 | Very high | 97.3 | Very high | 29 Ų | 29 | 75.8 Ų | 75.8 | 18% | 0.176 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 163 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | M108 F132 L158 L160 | M108-V116 HydrophobicContact SD-CG1 4.12Å; V116-F132 HydrophobicContact CG2-CB 3.98Å; V116-F132 HydrophobicContact CG2-CD2 4.41Å; V116-F132 HydrophobicContact CG2-CG 4.21Å; V116-L158 HydrophobicContact CG2-CB 3.88Å; V116-L158 HydrophobicContact CG2-CD1 4.42Å; V116-L158 PolarHBondContact N-O 3.2Å; V116-L158 PolarHBondContact O-N 3.17Å; V116-L160 HydrophobicContact CB-CD1 4.47Å; V116-L160 HydrophobicContact CG1-CD1 3.65Å; V116-L160 HydrophobicContact CG1-CG 4.13Å; V116-L160 HydrophobicContact CG2-CD1 3.97Å; V116-L160 HydrophobicContact CG2-CD2 3.78Å; V116-L160 HydrophobicContact CG2-CG 3.71Å |
| 117 | I | 97.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 74.3 Ų | 74.3 | 38% | 0.379 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.8 | 175.6 | -59.5 | 169 | 0 | 0 | 0 | 107.9 | R155 V156 Q189 | I117-R155 HydrophobicContact CG2-CB 4.21Å; I117-V156 CarbonylContact C-O 3.57Å; I117-V156 WeakPolarHBondContact CA-O 3.37Å; I117-Q189 HydrophobicContact CD1-CG 4.22Å; I117-Q189 HydrophobicContact CG2-CB 4.42Å; I117-Q189 HydrophobicContact CG2-CG 4.47Å |
| 118 | G | 98.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 68 Ų | 68 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 168.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D131 R155 V156 | G118-D131 CarbonylContact C-O 3.41Å; G118-D131 WeakPolarHBondContact CA-O 3.32Å; G118-R155 CarbonylContact O-C 3.54Å; G118-R155 VanDerWaalsContact O-CA 3.28Å; G118-R155 WeakPolarHBondContact O-CA 3.33Å; G118-V156 PolarHBondContact N-O 3.01Å; G118-V156 PolarHBondContact O-N 3.47Å |
| 119 | R | 98.4 | Very high | 97.5 | Very high | 157 Ų | 157 | 68.7 Ų | 68.7 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127.7 | 173.2 | -170.8 | 179.9 | -172.8 | -167.6 | -2.6 | 109.3 | F121 D131 G153 T154 | R119-F121 PolarHBondContact O-N 3.06Å; R119-D131 PolarHBondContact N-O 3.1Å; R119-D131 PolarHBondContact O-N 3.15Å; R119-G153 PolarHBondContact NE-O 3.1Å; R119-T154 WeakPolarHBondContact CA-O 3.35Å |
| 120 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 122.3 | 174.9 | -56.9 | 171.3 | 0 | 0 | 0 | 108.3 | I123 L128 Y129 I130 Y150 G153 T154 V156 | I120-I123 HydrophobicContact CG2-CD1 3.99Å; I120-I123 HydrophobicContact CG2-CG1 3.6Å; I120-L128 HydrophobicContact CD1-CD1 4.2Å; I120-L128 HydrophobicContact CD1-CD2 4.48Å; I120-Y129 WeakPolarHBondContact CA-O 3.42Å; I120-I130 HydrophobicContact CG1-CG1 3.89Å; I120-Y150 HydrophobicContact CD1-CD1 4.08Å; I120-G153 WeakPolarHBondContact O-CA 3.14Å; I120-G153 PolarHBondContact O-N 3Å; I120-T154 PolarHBondContact N-O 3.39Å; I120-V156 HydrophobicContact CD1-CG1 4.12Å; I120-V156 HydrophobicContact CG1-CG1 4.32Å |
| 121 | F | 98.4 | Very high | 97.8 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 37% | 0.368 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -22.2 | 178.1 | 72.7 | -90.6 | 0 | 0 | 0 | 113.1 | R119 Y129 D131 H137 K152 | R119-F121 PolarHBondContact O-N 3.06Å; F121-Y129 VanDerWaalsContact CD1-O 3.32Å; F121-Y129 WeakPolarHBondContact CD1-O 3.43Å; F121-Y129 HydrophobicContact CZ-CD1 4.33Å; F121-Y129 HydrophobicContact CZ-CG 4.45Å; F121-Y129 PolarHBondContact N-O 2.9Å; F121-D131 HydrophobicContact CD1-CB 3.85Å; F121-D131 HydrophobicContact CE1-CB 4.23Å; F121-H137 HydrophobicContact CE1-CB 3.73Å; F121-H137 AromaticContact CE1-CG 3.96Å; F121-H137 HydrophobicContact CZ-CB 4.22Å; F121-H137 AromaticContact CZ-CG 3.95Å; F121-K152 WeakPolarHBondContact O-CD 3.31Å; F121-K152 WeakPolarHBondContact O-CE 3.4Å; F121-K152 PolarHBondContact O-NZ 2.61Å |
| 122 | H | 98.4 | Very high | 97.9 | Very high | 86 Ų | 86 | 66.5 Ų | 66.5 | 40% | 0.398 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 149 | 177.6 | -169.2 | -114.4 | 0 | 0 | 0 | 110.6 | V124 Y129 | H122-V124 WeakPolarHBondContact CE1-CG2 3.48Å; H122-V124 WeakPolarHBondContact ND1-CG2 3.28Å; H122-Y129 HydrophobicContact CB-CD2 4.32Å; H122-Y129 HydrophobicContact CB-CG 4.18Å; H122-Y129 AromaticContact ND1-CD2 3.82Å; H122-Y129 WeakPolarHBondContact O-CB 3.44Å; H122-Y129 PolarHBondContact O-N 2.94Å |
| 123 | I | 98.3 | Very high | 97.9 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.6 | -179.4 | -62.7 | 179.7 | 0 | 0 | 0 | 106.7 | I120 D127 L128 Y150 | I120-I123 HydrophobicContact CG2-CD1 3.99Å; I120-I123 HydrophobicContact CG2-CG1 3.6Å; I123-D127 WeakPolarHBondContact CA-O 3.32Å; I123-L128 HydrophobicContact CD1-CD2 4.08Å; I123-L128 HydrophobicContact CG1-CD2 3.92Å; I123-L128 HydrophobicContact CG2-CD2 4.17Å; I123-Y150 WeakPolarHBondContact CD1-O 3.25Å |
| 124 | V | 98.1 | Very high | 97.9 | Very high | 56 Ų | 56 | 61.6 Ų | 61.6 | 34% | 0.339 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 110.6 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | H122 N126 D127 Y129 | H122-V124 WeakPolarHBondContact CE1-CG2 3.48Å; H122-V124 WeakPolarHBondContact ND1-CG2 3.28Å; V124-N126 PolarHBondContact O-N 3.11Å; V124-D127 PolarHBondContact N-O 2.9Å; V124-D127 PolarHBondContact O-N 2.91Å; V124-Y129 HydrophobicContact CB-CE2 4.14Å; V124-Y129 HydrophobicContact CG2-CD2 4.35Å; V124-Y129 HydrophobicContact CG2-CE2 3.69Å |
| 125 | E | 96.6 | Very high | 97.9 | Very high | 163 Ų | 163 | 65 Ų | 65 | 76% | 0.762 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | -105.8 | -176.1 | -56.8 | 178.9 | 179.6 | 0 | 0 | 112.2 | R142 | E125-R142 PolarHBondContact O-NH1 3Š|
| 126 | N | 96.6 | Very high | 97.9 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -1.9 | 177.7 | -68.1 | -38.8 | 0 | 0 | 0 | 113.4 | V124 R141 R142 | V124-N126 PolarHBondContact O-N 3.11Å; N126-R141 CarbonylContact O-C 3.59Å; N126-R141 WeakPolarHBondContact O-CA 3.26Å; N126-R142 HydrophobicContact CB-CB 4.46Å; N126-R142 WeakPolarHBondContact O-CB 3.39Å; N126-R142 PolarHBondContact O-N 3.46Å; N126-R142 PolarHBondContact OD1-NH1 2.94Å |
| 127 | D | 98 | Very high | 98 | Very high | 57 Ų | 57 | 62.7 Ų | 62.7 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.3 | -179.8 | -63.8 | -34.1 | 0 | 0 | 0 | 110.7 | I123 V124 Y129 V139 | I123-D127 WeakPolarHBondContact CA-O 3.32Å; V124-D127 PolarHBondContact N-O 2.9Å; V124-D127 PolarHBondContact O-N 2.91Å; D127-Y129 HydrophobicContact CB-CE2 4.45Å; D127-V139 HydrophobicContact CB-CG1 3.84Å |
| 128 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 112.8 | -177.8 | -52.6 | 178.6 | 0 | 0 | 0 | 109.2 | I120 I123 I130 V139 C140 R142 Y150 L185 | I120-L128 HydrophobicContact CD1-CD1 4.2Å; I120-L128 HydrophobicContact CD1-CD2 4.48Å; I123-L128 HydrophobicContact CD1-CD2 4.08Å; I123-L128 HydrophobicContact CG1-CD2 3.92Å; I123-L128 HydrophobicContact CG2-CD2 4.17Å; L128-I130 HydrophobicContact CB-CD1 4.12Å; L128-I130 HydrophobicContact CB-CG1 4.21Å; L128-V139 WeakPolarHBondContact O-CA 3.24Å; L128-C140 WeakPolarHBondContact CA-O 3.19Å; L128-C140 VanDerWaalsContact CB-O 3.27Å; L128-C140 WeakPolarHBondContact CB-O 3.38Å; L128-C140 PolarHBondContact N-O 3.49Å; L128-C140 PolarHBondContact O-N 3.18Å; L128-R142 HydrophobicContact CD1-CB 4.28Å; L128-R142 HydrophobicContact CD2-CB 4.36Å; L128-R142 HydrophobicContact CG-CB 4.28Å; L128-Y150 HydrophobicContact CD1-CD1 3.88Å; L128-Y150 HydrophobicContact CD1-CG 4.1Å; L128-L185 HydrophobicContact CD1-CD2 3.95Å |
| 129 | Y | 98.6 | Very high | 98 | Very high | 57 Ų | 57 | 61.1 Ų | 61.1 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 114.3 | 174.5 | -69.2 | -104.8 | 0 | 0 | 0 | 109.3 | I120 F121 H122 V124 D127 H137 V139 | I120-Y129 WeakPolarHBondContact CA-O 3.42Å; F121-Y129 VanDerWaalsContact CD1-O 3.32Å; F121-Y129 WeakPolarHBondContact CD1-O 3.43Å; F121-Y129 HydrophobicContact CZ-CD1 4.33Å; F121-Y129 HydrophobicContact CZ-CG 4.45Å; F121-Y129 PolarHBondContact N-O 2.9Å; H122-Y129 HydrophobicContact CB-CD2 4.32Å; H122-Y129 HydrophobicContact CB-CG 4.18Å; H122-Y129 AromaticContact ND1-CD2 3.82Å; H122-Y129 WeakPolarHBondContact O-CB 3.44Å; H122-Y129 PolarHBondContact O-N 2.94Å; V124-Y129 HydrophobicContact CB-CE2 4.14Å; V124-Y129 HydrophobicContact CG2-CD2 4.35Å; V124-Y129 HydrophobicContact CG2-CE2 3.69Å; D127-Y129 HydrophobicContact CB-CE2 4.45Å; Y129-H137 AromaticContact CD1-CD2 3.56Å; Y129-H137 AromaticContact CD1-NE2 3.35Å; Y129-H137 WeakPolarHBondContact CD1-NE2 3Å; Y129-H137 AromaticContact CE1-NE2 3.68Å; Y129-V139 HydrophobicContact CD1-CG2 3.75Å; Y129-V139 HydrophobicContact CE1-CG2 3.62Å; Y129-V139 HydrophobicContact CG-CG2 4.3Å |
| 130 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.5 | -168.7 | -57 | 157.3 | 0 | 0 | 0 | 110.1 | I120 L128 H137 C138 C140 V156 L158 L185 | I120-I130 HydrophobicContact CG1-CG1 3.89Å; L128-I130 HydrophobicContact CB-CD1 4.12Å; L128-I130 HydrophobicContact CB-CG1 4.21Å; I130-H137 WeakPolarHBondContact O-CA 3.01Å; I130-H137 VanDerWaalsContact O-CB 3.31Å; I130-H137 WeakPolarHBondContact O-CB 3.24Å; I130-C138 PolarHBondContact N-O 3.2Å; I130-C138 PolarHBondContact O-N 3.25Å; I130-C140 HydrophobicContact CD1-CB 3.97Å; I130-V156 HydrophobicContact CD1-CG2 4.06Å; I130-V156 HydrophobicContact CG1-CG2 4.28Å; I130-V156 HydrophobicContact CG2-CG2 3.67Å; I130-L158 HydrophobicContact CB-CD1 4.5Å; I130-L158 HydrophobicContact CD1-CD2 4.12Å; I130-L158 HydrophobicContact CG2-CD1 3.75Å; I130-L158 HydrophobicContact CG2-CG 4.46Å; I130-L185 HydrophobicContact CD1-CD1 4.42Å |
| 131 | D | 98.6 | Very high | 98 | Very high | 75 Ų | 75 | 63.9 Ų | 63.9 | 40% | 0.401 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 130.6 | 173 | 176.4 | 26.7 | 0 | 0 | 0 | 110.2 | G118 R119 F121 G133 | G118-D131 CarbonylContact C-O 3.41Å; G118-D131 WeakPolarHBondContact CA-O 3.32Å; R119-D131 PolarHBondContact N-O 3.1Å; R119-D131 PolarHBondContact O-N 3.15Å; F121-D131 HydrophobicContact CD1-CB 3.85Å; F121-D131 HydrophobicContact CE1-CB 4.23Å; D131-G133 PolarHBondContact OD1-N 2.99Å |
| 132 | F | 98.1 | Very high | 97.9 | Very high | 35 Ų | 35 | 63 Ų | 63 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | trans | -120.1 | 13.8 | 176.4 | 58.2 | -95.4 | 0 | 0 | 0 | 112.7 | V116 C138 L158 L160 L163 A181 | V116-F132 HydrophobicContact CG2-CB 3.98Å; V116-F132 HydrophobicContact CG2-CD2 4.41Å; V116-F132 HydrophobicContact CG2-CG 4.21Å; F132-C138 HydrophobicContact CE1-CB 4.33Å; F132-L158 HydrophobicContact CB-CD1 4.27Å; F132-L158 HydrophobicContact CD1-CD1 3.94Å; F132-L158 HydrophobicContact CG-CD1 4.44Å; F132-L160 HydrophobicContact CD1-CD2 4.27Å; F132-L160 HydrophobicContact CD2-CD2 4.24Å; F132-L160 HydrophobicContact CE1-CD2 4.02Å; F132-L160 HydrophobicContact CE2-CD1 4.35Å; F132-L160 HydrophobicContact CE2-CD2 3.99Å; F132-L160 HydrophobicContact CG-CD2 4.38Å; F132-L160 HydrophobicContact CZ-CD2 3.87Å; F132-L163 HydrophobicContact CE2-CD2 3.84Å; F132-L163 HydrophobicContact CZ-CD2 4.14Å; F132-A181 HydrophobicContact CE1-CB 3.79Å; F132-A181 HydrophobicContact CZ-CB 3.65Å | ||
| 133 | G | 97 | Very high | 97.8 | Very high | 68 Ų | 68 | 60.4 Ų | 60.4 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 84.9 | 15.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D131 | D131-G133 PolarHBondContact OD1-N 2.99Š|
| 134 | G | 96.4 | Very high | 97.6 | Very high | 25 Ų | 25 | 68 Ų | 68 | 26% | 0.258 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -84.6 | -177.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 135 | K | 97.6 | Very high | 97.4 | Very high | 154 Ų | 154 | 70.9 Ų | 70.9 | 67% | 0.67 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -67.2 | -42.8 | 172.2 | 179.2 | -175.3 | 169.3 | -158.8 | 0 | 111.4 | E164 | K135-E164 IonicContact NZ-OE1 3.61Å; K135-E164 IonicContact NZ-OE2 2.76Å; K135-E164 PolarHBondContact NZ-OE2 3.1Å |
| 136 | F | 98.5 | Very high | 97.1 | Very high | 30 Ų | 30 | 67.2 Ų | 67.2 | 13% | 0.132 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -117.1 | 151.1 | 177.1 | -59.6 | -70.6 | 0 | 0 | 0 | 110.5 | E164 L179 A181 | F136-E164 HydrophobicContact CD2-CB 4.06Å; F136-E164 HydrophobicContact CD2-CG 3.77Å; F136-E164 HydrophobicContact CE2-CB 4.16Å; F136-E164 HydrophobicContact CE2-CG 3.48Å; F136-E164 VanDerWaalsContact CE2-CG 3.48Å; F136-E164 WeakPolarHBondContact CE2-OE2 3.43Å; F136-E164 HydrophobicContact CZ-CG 4.47Å; F136-L179 VanDerWaalsContact CD1-C 3.43Å; F136-L179 HydrophobicContact CD1-CB 4.07Å; F136-L179 WeakPolarHBondContact CD1-O 3.43Å; F136-L179 HydrophobicContact CE1-CB 3.69Å; F136-L179 HydrophobicContact CE1-CD2 3.66Å; F136-L179 HydrophobicContact CE1-CG 4.28Å; F136-L179 WeakPolarHBondContact CG-O 3.33Å; F136-L179 HydrophobicContact CZ-CB 4.32Å; F136-L179 HydrophobicContact CZ-CD2 3.6Å; F136-A181 HydrophobicContact CB-CB 4.5Å |
| 137 | H | 98.5 | Very high | 97 | Very high | 52 Ų | 52 | 63 Ų | 63 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | trans | -81.1 | 166.2 | 170.1 | 59.4 | -83.9 | 0 | 0 | 0 | 109.7 | F121 Y129 I130 A181 | F121-H137 HydrophobicContact CE1-CB 3.73Å; F121-H137 AromaticContact CE1-CG 3.96Å; F121-H137 HydrophobicContact CZ-CB 4.22Å; F121-H137 AromaticContact CZ-CG 3.95Å; Y129-H137 AromaticContact CD1-CD2 3.56Å; Y129-H137 AromaticContact CD1-NE2 3.35Å; Y129-H137 WeakPolarHBondContact CD1-NE2 3Å; Y129-H137 AromaticContact CE1-NE2 3.68Å; I130-H137 WeakPolarHBondContact O-CA 3.01Å; I130-H137 VanDerWaalsContact O-CB 3.31Å; I130-H137 WeakPolarHBondContact O-CB 3.24Å; H137-A181 PolarHBondContact O-N 3Å | ||
| 138 | C | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.007 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 151.6 | 167.8 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | I130 F132 L158 A181 A183 | I130-C138 PolarHBondContact N-O 3.2Å; I130-C138 PolarHBondContact O-N 3.25Å; F132-C138 HydrophobicContact CE1-CB 4.33Å; C138-L158 VanDerWaalsContact SG-CD1 3.56Å; C138-A181 WeakPolarHBondContact CA-O 3.46Å; C138-A181 HydrophobicContact CB-CB 4.32Å; C138-A181 WeakPolarHBondContact CB-O 3.22Å; C138-A183 HydrophobicContact CB-CB 4.03Å |
| 139 | V | 98.4 | Very high | 96.7 | Very high | 43 Ų | 43 | 72.3 Ų | 72.3 | 26% | 0.261 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.2 | 173.5 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | D127 L128 Y129 | D127-V139 HydrophobicContact CB-CG1 3.84Å; L128-V139 WeakPolarHBondContact O-CA 3.24Å; Y129-V139 HydrophobicContact CD1-CG2 3.75Å; Y129-V139 HydrophobicContact CE1-CG2 3.62Å; Y129-V139 HydrophobicContact CG-CG2 4.3Å |
| 140 | C | 98.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 70.4 Ų | 70.4 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.9 | 177 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | L128 I130 A183 L185 | L128-C140 WeakPolarHBondContact CA-O 3.19Å; L128-C140 VanDerWaalsContact CB-O 3.27Å; L128-C140 WeakPolarHBondContact CB-O 3.38Å; L128-C140 PolarHBondContact N-O 3.49Å; L128-C140 PolarHBondContact O-N 3.18Å; I130-C140 HydrophobicContact CD1-CB 3.97Å; C140-A183 PolarHBondContact SG-O 3.34Å; C140-L185 HydrophobicContact CB-CB 3.91Å; C140-L185 HydrophobicContact CB-CD2 4.3Å |
| 141 | R | 97.7 | Very high | 96.5 | Very high | 206 Ų | 206 | 75.3 Ų | 75.3 | 78% | 0.777 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 143.9 | 171.6 | -70.3 | -176.1 | 176.2 | 176.1 | 0.6 | 111.1 | N126 P143 | N126-R141 CarbonylContact O-C 3.59Å; N126-R141 WeakPolarHBondContact O-CA 3.26Å; R141-P143 WeakPolarHBondContact O-CD 3.38Å |
| 142 | R | 97.3 | Very high | 96.5 | Very high | 64 Ų | 64 | 79.1 Ų | 79.1 | 24% | 0.242 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -62 | 125.2 | 172.8 | -180 | -176.7 | -79.8 | 133 | 2.5 | 108.8 | E125 N126 L128 G147 | E125-R142 PolarHBondContact O-NH1 3Å; N126-R142 HydrophobicContact CB-CB 4.46Å; N126-R142 WeakPolarHBondContact O-CB 3.39Å; N126-R142 PolarHBondContact O-N 3.46Å; N126-R142 PolarHBondContact OD1-NH1 2.94Å; L128-R142 HydrophobicContact CD1-CB 4.28Å; L128-R142 HydrophobicContact CD2-CB 4.36Å; L128-R142 HydrophobicContact CG-CB 4.28Å; R142-G147 WeakPolarHBondContact CD-O 3.18Å; R142-G147 PolarHBondContact NE-O 3.04Å |
| 143 | P | 96.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 78.7 Ų | 78.7 | 21% | 0.214 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 142.6 | 173.3 | -24.5 | 36.2 | 0 | 0 | 0 | 111.4 | R141 V145 G147 Y150 L185 | R141-P143 WeakPolarHBondContact O-CD 3.38Å; P143-V145 VanDerWaalsContact C-N 3.27Å; P143-V145 HydrophobicContact CB-CG2 4.28Å; P143-V145 PolarHBondContact O-N 2.84Å; P143-G147 WeakPolarHBondContact O-CA 3.48Å; P143-Y150 HydrophobicContact CB-CE2 4.36Å; P143-Y150 HydrophobicContact CG-CE1 4.39Å; P143-Y150 HydrophobicContact CG-CE2 3.88Å; P143-L185 HydrophobicContact CG-CD2 3.8Å |
| 144 | E | 93.4 | Very high | 96.5 | Very high | 202 Ų | 202 | 76.8 Ų | 76.8 | 94% | 0.944 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -65.3 | -36.4 | 176.4 | -64 | 179.7 | -178.8 | 0 | 0 | 111.3 | ||
| 145 | V | 93.6 | Very high | 96.5 | Very high | 115 Ų | 115 | 82.1 Ų | 82.1 | 70% | 0.697 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 127.2 | 174.1 | -63 | 0 | 0 | 0 | 0 | 110.1 | P143 G147 | P143-V145 VanDerWaalsContact C-N 3.27Å; P143-V145 HydrophobicContact CB-CG2 4.28Å; P143-V145 PolarHBondContact O-N 2.84Å; V145-G147 PolarHBondContact O-N 3Å; V145-G147 VanDerWaalsContact O-N 3.1Å |
| 146 | D | 91.2 | Very high | 96.5 | Very high | 86 Ų | 86 | 74.8 Ų | 74.8 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 29.3 | 175.8 | -68.5 | -32.7 | 0 | 0 | 0 | 115.1 | E148 K149 | D146-E148 PolarHBondContact O-N 3.22Å; D146-K149 HydrophobicContact CB-CD 3.81Å; D146-K149 HydrophobicContact CB-CG 4.19Å; D146-K149 VanDerWaalsContact CG-CE 3.45Å; D146-K149 WeakPolarHBondContact O-CB 3.38Å; D146-K149 PolarHBondContact O-N 3.11Å; D146-K149 IonicContact OD1-NZ 3.85Å; D146-K149 PolarHBondContact OD1-NZ 3.38Å; D146-K149 IonicContact OD2-NZ 3.25Å; D146-K149 PolarHBondContact OD2-NZ 3.12Å |
| 147 | G | 93.3 | Very high | 96.5 | Very high | 11 Ų | 11 | 78.8 Ų | 78.8 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -55.4 | -27.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R142 P143 V145 K149 Y150 | R142-G147 WeakPolarHBondContact CD-O 3.18Å; R142-G147 PolarHBondContact NE-O 3.04Å; P143-G147 WeakPolarHBondContact O-CA 3.48Å; V145-G147 PolarHBondContact O-N 3Å; V145-G147 VanDerWaalsContact O-N 3.1Å; G147-K149 VanDerWaalsContact C-N 3.25Å; G147-K149 PolarHBondContact O-N 3.27Å; G147-Y150 PolarHBondContact O-N 2.76Å |
| 148 | E | 94.3 | Very high | 96.5 | Very high | 149 Ų | 149 | 76.3 Ų | 76.3 | 70% | 0.696 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -63.4 | -23.6 | 175.9 | 63.3 | -160.5 | -168.5 | 0 | 0 | 114.5 | D146 Y150 Q151 | D146-E148 PolarHBondContact O-N 3.22Å; E148-Y150 VanDerWaalsContact C-N 3.28Å; E148-Y150 PolarHBondContact O-N 3.25Å; E148-Q151 WeakPolarHBondContact O-CG 3.33Å; E148-Q151 PolarHBondContact O-NE2 2.98Å |
| 149 | K | 95.7 | Very high | 96.5 | Very high | 103 Ų | 103 | 82.3 Ų | 82.3 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -77 | -17.5 | 177.9 | -57.3 | -177.8 | -168.5 | 165.5 | 0 | 112.3 | D146 G147 Q151 T154 I188 | D146-K149 HydrophobicContact CB-CD 3.81Å; D146-K149 HydrophobicContact CB-CG 4.19Å; D146-K149 VanDerWaalsContact CG-CE 3.45Å; D146-K149 WeakPolarHBondContact O-CB 3.38Å; D146-K149 PolarHBondContact O-N 3.11Å; D146-K149 IonicContact OD1-NZ 3.85Å; D146-K149 PolarHBondContact OD1-NZ 3.38Å; D146-K149 IonicContact OD2-NZ 3.25Å; D146-K149 PolarHBondContact OD2-NZ 3.12Å; G147-K149 VanDerWaalsContact C-N 3.25Å; G147-K149 PolarHBondContact O-N 3.27Å; K149-Q151 PolarHBondContact O-N 3.16Å; K149-Q151 VanDerWaalsContact O-N 3.12Å; K149-T154 PolarHBondContact O-OG1 3.07Å; K149-I188 HydrophobicContact CB-CD1 3.3Å; K149-I188 HydrophobicContact CD-CD1 4.31Å; K149-I188 HydrophobicContact CG-CD1 4.42Å |
| 150 | Y | 97.1 | Very high | 96.5 | Very high | 17 Ų | 17 | 80.3 Ų | 80.3 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | trans | -86.7 | 80.1 | 179.2 | -64.7 | -92.5 | 0 | 0 | 0 | 110.4 | I120 I123 L128 P143 G147 E148 V156 L185 I188 | I120-Y150 HydrophobicContact CD1-CD1 4.08Å; I123-Y150 WeakPolarHBondContact CD1-O 3.25Å; L128-Y150 HydrophobicContact CD1-CD1 3.88Å; L128-Y150 HydrophobicContact CD1-CG 4.1Å; P143-Y150 HydrophobicContact CB-CE2 4.36Å; P143-Y150 HydrophobicContact CG-CE1 4.39Å; P143-Y150 HydrophobicContact CG-CE2 3.88Å; G147-Y150 PolarHBondContact O-N 2.76Å; E148-Y150 VanDerWaalsContact C-N 3.28Å; E148-Y150 PolarHBondContact O-N 3.25Å; Y150-V156 HydrophobicContact CD1-CG1 3.97Å; Y150-V156 HydrophobicContact CE1-CG1 3.89Å; Y150-L185 HydrophobicContact CD1-CD2 4.26Å; Y150-L185 HydrophobicContact CE1-CD1 4.19Å; Y150-L185 HydrophobicContact CE1-CD2 3.82Å; Y150-L185 HydrophobicContact CE1-CG 4.34Å; Y150-I188 HydrophobicContact CD1-CG1 4.18Å; Y150-I188 HydrophobicContact CD2-CD1 4.3Å; Y150-I188 HydrophobicContact CE1-CD1 4.28Å; Y150-I188 HydrophobicContact CE1-CG1 3.64Å; Y150-I188 HydrophobicContact CE2-CD1 4.07Å; Y150-I188 HydrophobicContact CE2-CG1 4.19Å | ||
| 151 | Q | 96.9 | Very high | 96.5 | Very high | 103 Ų | 103 | 82.3 Ų | 82.3 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | trans | -105.8 | 164 | 177.6 | -60.6 | -60.4 | -23.9 | 0 | 0 | 111.4 | E148 K149 G153 T154 | E148-Q151 WeakPolarHBondContact O-CG 3.33Å; E148-Q151 PolarHBondContact O-NE2 2.98Å; K149-Q151 PolarHBondContact O-N 3.16Å; K149-Q151 VanDerWaalsContact O-N 3.12Å; Q151-G153 PolarHBondContact O-N 3.08Å; Q151-T154 PolarHBondContact N-OG1 3.03Å; Q151-T154 VanDerWaalsContact O-CB 3.26Å; Q151-T154 WeakPolarHBondContact O-CB 3.28Å; Q151-T154 PolarHBondContact O-N 3.15Å; Q151-T154 PolarHBondContact O-OG1 3.43Å; Q151-T154 VanDerWaalsContact O-OG1 3.08Å | ||
| 152 | K | 97.8 | Very high | 96.5 | Very high | 154 Ų | 154 | 76.5 Ų | 76.5 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 128.4 | 174.1 | -178.9 | 171 | 173 | 162.9 | 0 | 109.8 | F121 | F121-K152 WeakPolarHBondContact O-CD 3.31Å; F121-K152 WeakPolarHBondContact O-CE 3.4Å; F121-K152 PolarHBondContact O-NZ 2.61Å |
| 153 | G | 97.2 | Very high | 96.5 | Very high | 26 Ų | 26 | 76.3 Ų | 76.3 | 27% | 0.268 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -14.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R119 I120 Q151 | R119-G153 PolarHBondContact NE-O 3.1Å; I120-G153 WeakPolarHBondContact O-CA 3.14Å; I120-G153 PolarHBondContact O-N 3Å; Q151-G153 PolarHBondContact O-N 3.08Å |
| 154 | T | 97.5 | Very high | 96.6 | Very high | 29 Ų | 29 | 77.5 Ų | 77.5 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | trans | -61.5 | 136.1 | 177.3 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | R119 I120 K149 Q151 V156 I188 | R119-T154 WeakPolarHBondContact CA-O 3.35Å; I120-T154 PolarHBondContact N-O 3.39Å; K149-T154 PolarHBondContact O-OG1 3.07Å; Q151-T154 PolarHBondContact N-OG1 3.03Å; Q151-T154 VanDerWaalsContact O-CB 3.26Å; Q151-T154 WeakPolarHBondContact O-CB 3.28Å; Q151-T154 PolarHBondContact O-N 3.15Å; Q151-T154 PolarHBondContact O-OG1 3.43Å; Q151-T154 VanDerWaalsContact O-OG1 3.08Å; T154-V156 HydrophobicContact CG2-CG1 4.22Å; T154-I188 HydrophobicContact CG2-CD1 4.23Å; T154-I188 HydrophobicContact CG2-CG1 4.1Å; T154-I188 HydrophobicContact CG2-CG2 3.92Å | ||
| 155 | R | 98 | Very high | 96.7 | Very high | 137 Ų | 137 | 70.3 Ų | 70.3 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 132.7 | 174.3 | -63.1 | -179.2 | 72.6 | -169 | 3.4 | 109.5 | I117 G118 Q189 | I117-R155 HydrophobicContact CG2-CB 4.21Å; G118-R155 CarbonylContact O-C 3.54Å; G118-R155 VanDerWaalsContact O-CA 3.28Å; G118-R155 WeakPolarHBondContact O-CA 3.33Å; R155-Q189 HydrophobicContact CB-CB 4.02Å; R155-Q189 PolarHBondContact O-N 3.07Å |
| 156 | V | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.7 | -174.5 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | I117 G118 I120 I130 Y150 T154 L158 L185 G187 | I117-V156 CarbonylContact C-O 3.57Å; I117-V156 WeakPolarHBondContact CA-O 3.37Å; G118-V156 PolarHBondContact N-O 3.01Å; G118-V156 PolarHBondContact O-N 3.47Å; I120-V156 HydrophobicContact CD1-CG1 4.12Å; I120-V156 HydrophobicContact CG1-CG1 4.32Å; I130-V156 HydrophobicContact CD1-CG2 4.06Å; I130-V156 HydrophobicContact CG1-CG2 4.28Å; I130-V156 HydrophobicContact CG2-CG2 3.67Å; Y150-V156 HydrophobicContact CD1-CG1 3.97Å; Y150-V156 HydrophobicContact CE1-CG1 3.89Å; T154-V156 HydrophobicContact CG2-CG1 4.22Å; V156-L158 HydrophobicContact CG2-CD2 4.3Å; V156-L158 HydrophobicContact CG2-CG 4.4Å; V156-L185 HydrophobicContact CB-CD1 3.65Å; V156-L185 HydrophobicContact CG1-CD1 4.04Å; V156-L185 HydrophobicContact CG2-CD1 3.97Å; V156-G187 CarbonylContact C-O 3.59Å; V156-G187 WeakPolarHBondContact CA-O 3.21Å; V156-G187 WeakPolarHBondContact CB-O 3.46Å |
| 157 | R | 98 | Very high | 97.2 | Very high | 113 Ų | 113 | 67 Ų | 67 | 43% | 0.426 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.9 | 174.8 | -64.1 | 179.5 | 68.3 | -171.1 | 1.4 | 109 | L186 G187 Q189 | R157-L186 HydrophobicContact CB-CB 4.24Å; R157-L186 PolarHBondContact O-N 3.37Å; R157-G187 PolarHBondContact N-O 3.1Å; R157-Q189 HydrophobicContact CG-CB 4.24Å; R157-Q189 VanDerWaalsContact CG-OE1 3.28Å |
| 158 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 146 | 179 | -62.4 | 177.7 | 0 | 0 | 0 | 110.1 | L115 V116 I130 F132 C138 V156 A183 V184 L185 | L115-L158 WeakPolarHBondContact CA-O 3.36Å; V116-L158 HydrophobicContact CG2-CB 3.88Å; V116-L158 HydrophobicContact CG2-CD1 4.42Å; V116-L158 PolarHBondContact N-O 3.2Å; V116-L158 PolarHBondContact O-N 3.17Å; I130-L158 HydrophobicContact CB-CD1 4.5Å; I130-L158 HydrophobicContact CD1-CD2 4.12Å; I130-L158 HydrophobicContact CG2-CD1 3.75Å; I130-L158 HydrophobicContact CG2-CG 4.46Å; F132-L158 HydrophobicContact CB-CD1 4.27Å; F132-L158 HydrophobicContact CD1-CD1 3.94Å; F132-L158 HydrophobicContact CG-CD1 4.44Å; C138-L158 VanDerWaalsContact SG-CD1 3.56Å; V156-L158 HydrophobicContact CG2-CD2 4.3Å; V156-L158 HydrophobicContact CG2-CG 4.4Å; L158-A183 HydrophobicContact CB-CB 4.37Å; L158-A183 HydrophobicContact CD1-CB 4.47Å; L158-V184 CarbonylContact C-O 3.52Å; L158-V184 WeakPolarHBondContact CA-O 3.31Å; L158-L185 HydrophobicContact CD2-CB 4.36Å; L158-L185 HydrophobicContact CD2-CD1 3.99Å |
| 159 | R | 98.4 | Very high | 97.5 | Very high | 128 Ų | 128 | 73 Ų | 73 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 112.2 | 162 | -174.4 | 179.3 | -174.5 | -170.8 | -2.4 | 108.5 | K114 L115 A183 V184 L186 | K114-R159 CarbonylContact O-C 3.55Å; K114-R159 WeakPolarHBondContact O-CA 3.45Å; L115-R159 HydrophobicContact CD2-CB 3.95Å; L115-R159 HydrophobicContact CD2-CG 4.19Å; R159-A183 CarbonylContact O-C 3.55Å; R159-A183 VanDerWaalsContact O-CA 3.29Å; R159-A183 WeakPolarHBondContact O-CA 3.36Å; R159-V184 HydrophobicContact CB-CB 4.4Å; R159-V184 PolarHBondContact N-O 2.97Å; R159-V184 PolarHBondContact O-N 3.27Å; R159-L186 HydrophobicContact CB-CD1 4.2Å; R159-L186 HydrophobicContact CB-CD2 4.38Å; R159-L186 HydrophobicContact CB-CG 4.36Å |
| 160 | L | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 140.3 | -179.8 | -63.1 | 179.9 | 0 | 0 | 0 | 110.8 | M108 A111 G113 K114 V116 F132 L163 A183 | M108-L160 HydrophobicContact CE-CD1 4.2Å; M108-L160 HydrophobicContact SD-CD1 4.11Å; A111-L160 HydrophobicContact CB-CB 4.34Å; A111-L160 HydrophobicContact CB-CD1 4.26Å; A111-L160 WeakPolarHBondContact O-CB 3.35Å; G113-L160 PolarHBondContact N-O 2.73Å; K114-L160 PolarHBondContact O-N 3.31Å; V116-L160 HydrophobicContact CB-CD1 4.47Å; V116-L160 HydrophobicContact CG1-CD1 3.65Å; V116-L160 HydrophobicContact CG1-CG 4.13Å; V116-L160 HydrophobicContact CG2-CD1 3.97Å; V116-L160 HydrophobicContact CG2-CD2 3.78Å; V116-L160 HydrophobicContact CG2-CG 3.71Å; F132-L160 HydrophobicContact CD1-CD2 4.27Å; F132-L160 HydrophobicContact CD2-CD2 4.24Å; F132-L160 HydrophobicContact CE1-CD2 4.02Å; F132-L160 HydrophobicContact CE2-CD1 4.35Å; F132-L160 HydrophobicContact CE2-CD2 3.99Å; F132-L160 HydrophobicContact CG-CD2 4.38Å; F132-L160 HydrophobicContact CZ-CD2 3.87Å; L160-L163 HydrophobicContact CD1-CD2 3.99Å; L160-A183 HydrophobicContact CD2-CB 4.02Å |
| 161 | L | 98 | Very high | 97.6 | Very high | 52 Ų | 52 | 80.2 Ų | 80.2 | 27% | 0.272 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -60.4 | 170.2 | -63.7 | 177 | 0 | 0 | 0 | 108.8 | K112 D182 V184 | K112-L161 WeakPolarHBondContact CA-O 3.15Å; L161-D182 HydrophobicContact CB-CB 4.11Å; L161-D182 VanDerWaalsContact CD1-OD2 3.3Å; L161-D182 WeakPolarHBondContact CD1-OD2 3.32Å; L161-D182 PolarHBondContact N-O 3.1Å; L161-V184 HydrophobicContact CD1-CG2 3.99Å; L161-V184 HydrophobicContact CG-CG2 4.44Å |
| 162 | D | 97.8 | Very high | 97.6 | Very high | 83 Ų | 83 | 77.1 Ų | 77.1 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 144.4 | 178 | -73.3 | -40.8 | 0 | 0 | 0 | 111.3 | D182 | D162-D182 HydrophobicContact CB-CB 4.37Å; D162-D182 PolarHBondContact N-O 3.1Å; D162-D182 PolarHBondContact O-N 2.68Å |
| 163 | L | 97.6 | Very high | 97.6 | Very high | 60 Ų | 60 | 77.1 Ų | 77.1 | 31% | 0.314 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -82.6 | -19.4 | 179.6 | -66.7 | 177.1 | 0 | 0 | 0 | 113.5 | L105 A111 F132 L160 | L105-L163 HydrophobicContact CD1-CD1 3.97Å; A111-L163 HydrophobicContact CB-CD1 3.94Å; A111-L163 HydrophobicContact CB-CD2 3.89Å; A111-L163 HydrophobicContact CB-CG 3.56Å; F132-L163 HydrophobicContact CE2-CD2 3.84Å; F132-L163 HydrophobicContact CZ-CD2 4.14Å; L160-L163 HydrophobicContact CD1-CD2 3.99Å |
| 164 | E | 97.5 | Very high | 97.6 | Very high | 58 Ų | 58 | 80.2 Ų | 80.2 | 27% | 0.271 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -152.6 | 118.8 | 175.9 | -171.7 | 178.2 | 168.8 | 0 | 0 | 108.4 | K135 F136 T166 T177 | K135-E164 IonicContact NZ-OE1 3.61Å; K135-E164 IonicContact NZ-OE2 2.76Å; K135-E164 PolarHBondContact NZ-OE2 3.1Å; F136-E164 HydrophobicContact CD2-CB 4.06Å; F136-E164 HydrophobicContact CD2-CG 3.77Å; F136-E164 HydrophobicContact CE2-CB 4.16Å; F136-E164 HydrophobicContact CE2-CG 3.48Å; F136-E164 VanDerWaalsContact CE2-CG 3.48Å; F136-E164 WeakPolarHBondContact CE2-OE2 3.43Å; F136-E164 HydrophobicContact CZ-CG 4.47Å; E164-T166 HydrophobicContact CB-CG2 4.32Å; E164-T166 HydrophobicContact CG-CG2 3.61Å; E164-T166 PolarHBondContact O-N 3.34Å; E164-T166 VanDerWaalsContact O-N 3.17Å; E164-T177 WeakPolarHBondContact CG-OG1 3.35Å; E164-T177 WeakPolarHBondContact OE1-CB 3.49Å; E164-T177 PolarHBondContact OE1-OG1 3.3Å |
| 165 | L | 97.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 82.7 Ų | 82.7 | 27% | 0.267 | 43% | 0.426 | S | S | . | . | trans | -73.4 | 105.9 | 173.3 | -75.6 | 174.7 | 0 | 0 | 0 | 109.8 | T177 I178 E180 D182 | L165-T177 WeakPolarHBondContact O-CA 3.19Å; L165-I178 HydrophobicContact CB-CB 4.11Å; L165-I178 HydrophobicContact CB-CD1 4.21Å; L165-I178 HydrophobicContact CB-CG1 4.37Å; L165-I178 HydrophobicContact CD1-CD1 4.23Å; L165-I178 PolarHBondContact O-N 3.26Å; L165-E180 PolarHBondContact N-O 3.35Å; L165-D182 HydrophobicContact CD1-CB 4.19Å; L165-D182 HydrophobicContact CD2-CB 3.85Å; L165-D182 HydrophobicContact CG-CB 4.03Å | ||
| 166 | T | 97.4 | Very high | 97.6 | Very high | 75 Ų | 75 | 79.7 Ų | 79.7 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.8 | 178.3 | 58.7 | 0 | 0 | 0 | 0 | 110.8 | E164 T176 | E164-T166 HydrophobicContact CB-CG2 4.32Å; E164-T166 HydrophobicContact CG-CG2 3.61Å; E164-T166 PolarHBondContact O-N 3.34Å; E164-T166 VanDerWaalsContact O-N 3.17Å; T166-T176 WeakPolarHBondContact CA-O 3.4Å |
| 167 | S | 97.5 | Very high | 97.6 | Very high | 57 Ų | 57 | 82 Ų | 82 | 40% | 0.399 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 151 | 173.6 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | T176 | S167-T176 PolarHBondContact N-O 2.73Å; S167-T176 PolarHBondContact O-N 3.48Å |
| 168 | R | 97.1 | Very high | 97.5 | Very high | 156 Ų | 156 | 81.8 Ų | 81.8 | 59% | 0.589 | 44% | 0.443 | S | S | * | . | trans | -110.5 | 122.1 | 173.4 | -170.2 | 176.8 | -61.7 | 178.6 | 3.7 | 109.7 | A172 D175 | R168-A172 HydrophobicContact CG-CB 4.37Å; R168-D175 WeakPolarHBondContact CB-OD1 3.39Å; R168-D175 IonicContact CZ-OD1 2.69Å; R168-D175 IonicContact NE-OD1 2.7Å; R168-D175 PolarHBondContact NE-OD1 2.84Å; R168-D175 IonicContact NH2-OD1 3.14Å; R168-D175 PolarHBondContact NH2-OD1 2.99Å; R168-D175 IonicContact NH2-OD2 3.36Å | ||
| 169 | F | 96.7 | Very high | 97.5 | Very high | 131 Ų | 131 | 86.3 Ų | 86.3 | 58% | 0.575 | 47% | 0.467 | S | S | * | . | trans | -94.8 | 159.6 | 176.9 | -59.9 | -76.5 | 0 | 0 | 0 | 111.4 | G171 A172 | F169-G171 PolarHBondContact O-N 3.15Å; F169-A172 VanDerWaalsContact O-CB 3.29Å; F169-A172 WeakPolarHBondContact O-CB 3.49Å; F169-A172 PolarHBondContact O-N 3.31Å | ||
| 170 | L | 97.5 | Very high | 97.5 | Very high | 190 Ų | 190 | 83 Ų | 83 | 100% | 0.995 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 131.5 | 177.8 | -176.7 | 66.3 | 0 | 0 | 0 | 110.5 | A172 | L170-A172 VanDerWaalsContact C-N 3.29Å; L170-A172 PolarHBondContact O-N 3.28Å |
| 171 | G | 96.9 | Very high | 97.5 | Very high | 80 Ų | 80 | 83.2 Ų | 83.2 | 83% | 0.825 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -7.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F169 | F169-G171 PolarHBondContact O-N 3.15Š|
| 172 | A | 96.9 | Very high | 97.5 | Very high | 39 Ų | 39 | 83.6 Ų | 83.6 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | trans | -81.3 | 135.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R168 F169 L170 | R168-A172 HydrophobicContact CG-CB 4.37Å; F169-A172 VanDerWaalsContact O-CB 3.29Å; F169-A172 WeakPolarHBondContact O-CB 3.49Å; F169-A172 PolarHBondContact O-N 3.31Å; L170-A172 VanDerWaalsContact C-N 3.29Å; L170-A172 PolarHBondContact O-N 3.28Å | ||
| 173 | I | 97.5 | Very high | 97.5 | Very high | 154 Ų | 154 | 80.1 Ų | 80.1 | 79% | 0.79 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -80.9 | -25.7 | 172.8 | 50.3 | 163.5 | 0 | 0 | 0 | 112.7 | ||
| 174 | T | 97.7 | Very high | 97.6 | Very high | 91 Ų | 91 | 80.5 Ų | 80.5 | 56% | 0.558 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -132.2 | 158.9 | -175 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 175 | D | 98 | Very high | 97.6 | Very high | 80 Ų | 80 | 79.1 Ų | 79.1 | 43% | 0.428 | 44% | 0.443 | S | S | . | . | trans | -69.8 | 143.3 | 176.9 | -58.3 | -11.5 | 0 | 0 | 0 | 110.1 | R168 | R168-D175 WeakPolarHBondContact CB-OD1 3.39Å; R168-D175 IonicContact CZ-OD1 2.69Å; R168-D175 IonicContact NE-OD1 2.7Å; R168-D175 PolarHBondContact NE-OD1 2.84Å; R168-D175 IonicContact NH2-OD1 3.14Å; R168-D175 PolarHBondContact NH2-OD1 2.99Å; R168-D175 IonicContact NH2-OD2 3.36Å | ||
| 176 | T | 97.2 | Very high | 97.6 | Very high | 75 Ų | 75 | 81 Ų | 81 | 46% | 0.46 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.1 | 171.3 | -56.2 | 0 | 0 | 0 | 0 | 108.2 | T166 S167 | T166-T176 WeakPolarHBondContact CA-O 3.4Å; S167-T176 PolarHBondContact N-O 2.73Å; S167-T176 PolarHBondContact O-N 3.48Å |
| 177 | T | 97.6 | Very high | 97.5 | Very high | 49 Ų | 49 | 78.1 Ų | 78.1 | 30% | 0.301 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.2 | -179.4 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | E164 L165 L179 | E164-T177 WeakPolarHBondContact CG-OG1 3.35Å; E164-T177 WeakPolarHBondContact OE1-CB 3.49Å; E164-T177 PolarHBondContact OE1-OG1 3.3Å; L165-T177 WeakPolarHBondContact O-CA 3.19Å; T177-L179 VanDerWaalsContact C-N 3.27Å; T177-L179 HydrophobicContact CG2-CD2 3.46Å; T177-L179 VanDerWaalsContact CG2-CD2 3.46Å; T177-L179 HydrophobicContact CG2-CG 4.13Å; T177-L179 PolarHBondContact OG1-N 2.78Å |
| 178 | I | 97.1 | Very high | 97.4 | Very high | 107 Ų | 107 | 78 Ų | 78 | 55% | 0.549 | 43% | 0.432 | S | S | . | . | trans | -82.5 | -10.3 | 175.3 | -61.9 | 177.7 | 0 | 0 | 0 | 110.9 | L165 E180 | L165-I178 HydrophobicContact CB-CB 4.11Å; L165-I178 HydrophobicContact CB-CD1 4.21Å; L165-I178 HydrophobicContact CB-CG1 4.37Å; L165-I178 HydrophobicContact CD1-CD1 4.23Å; L165-I178 PolarHBondContact O-N 3.26Å; I178-E180 HydrophobicContact CG2-CB 4.23Å; I178-E180 HydrophobicContact CG2-CG 4.28Å; I178-E180 PolarHBondContact O-N 2.8Å | ||
| 179 | L | 97.6 | Very high | 97.3 | Very high | 95 Ų | 95 | 73.3 Ų | 73.3 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 61 | 29.3 | -176.6 | -51.3 | 175.9 | 0 | 0 | 0 | 113.4 | F136 T177 | F136-L179 VanDerWaalsContact CD1-C 3.43Å; F136-L179 HydrophobicContact CD1-CB 4.07Å; F136-L179 WeakPolarHBondContact CD1-O 3.43Å; F136-L179 HydrophobicContact CE1-CB 3.69Å; F136-L179 HydrophobicContact CE1-CD2 3.66Å; F136-L179 HydrophobicContact CE1-CG 4.28Å; F136-L179 WeakPolarHBondContact CG-O 3.33Å; F136-L179 HydrophobicContact CZ-CB 4.32Å; F136-L179 HydrophobicContact CZ-CD2 3.6Å; T177-L179 VanDerWaalsContact C-N 3.27Å; T177-L179 HydrophobicContact CG2-CD2 3.46Å; T177-L179 VanDerWaalsContact CG2-CD2 3.46Å; T177-L179 HydrophobicContact CG2-CG 4.13Å; T177-L179 PolarHBondContact OG1-N 2.78Å |
| 180 | E | 97.8 | Very high | 96.9 | Very high | 60 Ų | 60 | 75 Ų | 75 | 28% | 0.28 | 43% | 0.427 | S | S | . | . | trans | -135.8 | 150.1 | 177.2 | -64.8 | -178.5 | -176.2 | 0 | 0 | 109.8 | L165 I178 | L165-E180 PolarHBondContact N-O 3.35Å; I178-E180 HydrophobicContact CG2-CB 4.23Å; I178-E180 HydrophobicContact CG2-CG 4.28Å; I178-E180 PolarHBondContact O-N 2.8Å | ||
| 181 | A | 98.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 70.2 Ų | 70.2 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -90.4 | 150.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | F132 F136 H137 C138 | F132-A181 HydrophobicContact CE1-CB 3.79Å; F132-A181 HydrophobicContact CZ-CB 3.65Å; F136-A181 HydrophobicContact CB-CB 4.5Å; H137-A181 PolarHBondContact O-N 3Å; C138-A181 WeakPolarHBondContact CA-O 3.46Å; C138-A181 HydrophobicContact CB-CB 4.32Å; C138-A181 WeakPolarHBondContact CB-O 3.22Å |
| 182 | D | 98.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 76.2 Ų | 76.2 | 32% | 0.321 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.1 | 176.4 | -171.5 | 13.9 | 0 | 0 | 0 | 110.7 | L161 D162 L165 | L161-D182 HydrophobicContact CB-CB 4.11Å; L161-D182 VanDerWaalsContact CD1-OD2 3.3Å; L161-D182 WeakPolarHBondContact CD1-OD2 3.32Å; L161-D182 PolarHBondContact N-O 3.1Å; D162-D182 HydrophobicContact CB-CB 4.37Å; D162-D182 PolarHBondContact N-O 3.1Å; D162-D182 PolarHBondContact O-N 2.68Å; L165-D182 HydrophobicContact CD1-CB 4.19Å; L165-D182 HydrophobicContact CD2-CB 3.85Å; L165-D182 HydrophobicContact CG-CB 4.03Å |
| 183 | A | 98.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 81 Ų | 81 | 8% | 0.083 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 152 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C138 C140 L158 R159 L160 | C138-A183 HydrophobicContact CB-CB 4.03Å; C140-A183 PolarHBondContact SG-O 3.34Å; L158-A183 HydrophobicContact CB-CB 4.37Å; L158-A183 HydrophobicContact CD1-CB 4.47Å; R159-A183 CarbonylContact O-C 3.55Å; R159-A183 VanDerWaalsContact O-CA 3.29Å; R159-A183 WeakPolarHBondContact O-CA 3.36Å; L160-A183 HydrophobicContact CD2-CB 4.02Å |
| 184 | V | 98.3 | Very high | 89.9 | Confident | 67 Ų | 67 | 79.2 Ų | 79.2 | 41% | 0.406 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.6 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | L158 R159 L161 L186 | L158-V184 CarbonylContact C-O 3.52Å; L158-V184 WeakPolarHBondContact CA-O 3.31Å; R159-V184 HydrophobicContact CB-CB 4.4Å; R159-V184 PolarHBondContact N-O 2.97Å; R159-V184 PolarHBondContact O-N 3.27Å; L161-V184 HydrophobicContact CD1-CG2 3.99Å; L161-V184 HydrophobicContact CG-CG2 4.44Å; V184-L186 HydrophobicContact CG1-CD2 4.31Å; V184-L186 PolarHBondContact O-N 3.48Å |
| 185 | L | 98 | Very high | 87.6 | Confident | 30 Ų | 30 | 86.6 Ų | 86.6 | 16% | 0.157 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 116.7 | 173.1 | 179.7 | 61.3 | 0 | 0 | 0 | 110.5 | L128 I130 C140 P143 Y150 V156 L158 | L128-L185 HydrophobicContact CD1-CD2 3.95Å; I130-L185 HydrophobicContact CD1-CD1 4.42Å; C140-L185 HydrophobicContact CB-CB 3.91Å; C140-L185 HydrophobicContact CB-CD2 4.3Å; P143-L185 HydrophobicContact CG-CD2 3.8Å; Y150-L185 HydrophobicContact CD1-CD2 4.26Å; Y150-L185 HydrophobicContact CE1-CD1 4.19Å; Y150-L185 HydrophobicContact CE1-CD2 3.82Å; Y150-L185 HydrophobicContact CE1-CG 4.34Å; V156-L185 HydrophobicContact CB-CD1 3.65Å; V156-L185 HydrophobicContact CG1-CD1 4.04Å; V156-L185 HydrophobicContact CG2-CD1 3.97Å; L158-L185 HydrophobicContact CD2-CB 4.36Å; L158-L185 HydrophobicContact CD2-CD1 3.99Å |
| 186 | L | 96.8 | Very high | 85.1 | Confident | 90 Ų | 90 | 88.5 Ų | 88.5 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -31.3 | -178.7 | -59.7 | -179.4 | 0 | 0 | 0 | 113.2 | L115 R157 R159 V184 | L115-L186 HydrophobicContact CD2-CD1 3.44Å; L115-L186 VanDerWaalsContact CD2-CD1 3.44Å; R157-L186 HydrophobicContact CB-CB 4.24Å; R157-L186 PolarHBondContact O-N 3.37Å; R159-L186 HydrophobicContact CB-CD1 4.2Å; R159-L186 HydrophobicContact CB-CD2 4.38Å; R159-L186 HydrophobicContact CB-CG 4.36Å; V184-L186 HydrophobicContact CG1-CD2 4.31Å; V184-L186 PolarHBondContact O-N 3.48Å |
| 187 | G | 96.2 | Very high | 82.9 | Confident | 15 Ų | 15 | 95 Ų | 95 | 16% | 0.155 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.3 | -179.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V156 R157 | V156-G187 CarbonylContact C-O 3.59Å; V156-G187 WeakPolarHBondContact CA-O 3.21Å; V156-G187 WeakPolarHBondContact CB-O 3.46Å; R157-G187 PolarHBondContact N-O 3.1Å |
| 188 | I | 96.3 | Very high | 80.6 | Confident | 54 Ų | 54 | 101.9 Ų | 101.9 | 28% | 0.277 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 143.5 | 174 | -63.4 | 175 | 0 | 0 | 0 | 109.2 | K149 Y150 T154 E190 | K149-I188 HydrophobicContact CB-CD1 3.3Å; K149-I188 HydrophobicContact CD-CD1 4.31Å; K149-I188 HydrophobicContact CG-CD1 4.42Å; Y150-I188 HydrophobicContact CD1-CG1 4.18Å; Y150-I188 HydrophobicContact CD2-CD1 4.3Å; Y150-I188 HydrophobicContact CE1-CD1 4.28Å; Y150-I188 HydrophobicContact CE1-CG1 3.64Å; Y150-I188 HydrophobicContact CE2-CD1 4.07Å; Y150-I188 HydrophobicContact CE2-CG1 4.19Å; T154-I188 HydrophobicContact CG2-CD1 4.23Å; T154-I188 HydrophobicContact CG2-CG1 4.1Å; T154-I188 HydrophobicContact CG2-CG2 3.92Å; I188-E190 PolarHBondContact O-N 3.12Å |
| 189 | Q | 94.8 | Very high | 78.3 | Confident | 58 Ų | 58 | 105.7 Ų | 105.7 | 27% | 0.271 | 54% | 0.537 | S | S | . | . | trans | -79.9 | 109.1 | 171.2 | 179 | 60.2 | 56.6 | 0 | 0 | 109.1 | I117 R155 R157 S191 | I117-Q189 HydrophobicContact CD1-CG 4.22Å; I117-Q189 HydrophobicContact CG2-CB 4.42Å; I117-Q189 HydrophobicContact CG2-CG 4.47Å; R155-Q189 HydrophobicContact CB-CB 4.02Å; R155-Q189 PolarHBondContact O-N 3.07Å; R157-Q189 HydrophobicContact CG-CB 4.24Å; R157-Q189 VanDerWaalsContact CG-OE1 3.28Å; Q189-S191 PolarHBondContact O-N 2.9Å | ||
| 190 | E | 88.4 | Confident | 75.9 | Confident | 167 Ų | 167 | 110.3 Ų | 110.3 | 78% | 0.78 | 56% | 0.556 | S | S | * | * | trans | -71.9 | 120.4 | 170 | -64 | 178.2 | 177.8 | 0 | 0 | 109.2 | I188 K192 | I188-E190 PolarHBondContact O-N 3.12Å; E190-K192 PolarHBondContact O-N 3.2Å | ||
| 191 | S | 76.6 | Confident | 73.5 | Confident | 88 Ų | 88 | 116.9 Ų | 116.9 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | trans | -80.9 | 109.1 | 167.3 | 49.9 | 0 | 0 | 0 | 0 | 108.1 | Q189 D193 | Q189-S191 PolarHBondContact O-N 2.9Å; S191-D193 PolarHBondContact O-N 3.19Å | ||
| 192 | K | 60.8 | Low | 70.9 | Confident | 206 Ų | 206 | 125.3 Ų | 125.3 | 90% | 0.896 | 62% | 0.624 | S | S | * | * | trans | -74.8 | 49.7 | 172.6 | -122.6 | -170.4 | -172.4 | -176.7 | 0 | 111 | E190 | E190-K192 PolarHBondContact O-N 3.2Š| ||
| 193 | D | 52.2 | Low | 68.2 | Low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | trans | -117.3 | 88.1 | -174.9 | -69.6 | -42.1 | 0 | 0 | 0 | 110.4 | S191 | S191-D193 PolarHBondContact O-N 3.19Š| ||
| 194 | S | 51.4 | Low | 66.7 | Low | 118 Ų | 118 | 142.3 Ų | 142.3 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 175.8 | 30.2 | 152.5 | 44.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 195 | R | 49.5 | Very low | 65 | Low | 246 Ų | 246 | 146.2 Ų | 146.2 | 93% | 0.928 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -148.8 | 39.4 | 175.4 | -76.1 | -162 | -178.3 | 172 | 0.9 | 117.8 | ||
| 196 | S | 45.9 | Very low | 63.2 | Low | 119 Ų | 119 | 152.7 Ų | 152.7 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -146.5 | 31.8 | 174 | 68.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 197 | K | 50.2 | Low | 61.2 | Low | 212 Ų | 212 | 156.4 Ų | 156.4 | 92% | 0.922 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -117.4 | 8.5 | 175.9 | -104.1 | -174.2 | 179.3 | -177.1 | 0 | 116.3 | ||
| 198 | E | 49.8 | Very low | 59.1 | Low | 193 Ų | 193 | 165.2 Ų | 165.2 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -111.2 | -6.7 | -177.8 | -86.2 | 178.2 | 171.4 | 0 | 0 | 116.9 | ||
| 199 | E | 48.4 | Very low | 56.6 | Low | 188 Ų | 188 | 172.6 Ų | 172.6 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -109.6 | 12.1 | -171.1 | -74.4 | -171 | 166.7 | 0 | 0 | 117.1 | ||
| 200 | H | 48.2 | Very low | 53.8 | Low | 191 Ų | 191 | 180.8 Ų | 180.8 | 88% | 0.884 | 87% | 0.872 | S | S | * | * | S | Bend | trans | -122.3 | 22.7 | -177.8 | -117.7 | -69 | 0 | 0 | 0 | 116.2 | ||
| 201 | H | 45.8 | Very low | 51.2 | Low | 198 Ų | 198 | 181.8 Ų | 181.8 | 92% | 0.917 | 88% | 0.879 | S | S | * | * | S | Bend | trans | -124.9 | 45.5 | 170.6 | -117.1 | 89.3 | 0 | 0 | 0 | 112.1 | ||
| 202 | E | 45 | Very low | 49.1 | Very low | 182 Ų | 182 | 189.7 Ų | 189.7 | 85% | 0.85 | 90% | 0.901 | S | S | * | * | trans | -152.9 | 97 | 159 | -161.5 | 170.5 | -179 | 0 | 0 | 109.7 | ||||
| 203 | K | 41.4 | Very low | 48 | Very low | 284 Ų | 284 | 188.2 Ų | 188.2 | 100% | 1.235 | 90% | 0.902 | S | S | * | * | trans | 179.6 | 0 | 144.6 | -98.2 | 166.6 | -170.3 | -175 | 0 | 110.5 |
Retrieved 203 of 203 residues in 33.9 ms
(Link to these results)