| 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 | 45 | Very low | 45.7 | Very low | 250 Ų | 250 | 156.7 Ų | 156.7 | 100% | 1.232 | 83% | 0.834 | S | S | * | * | 0 | 135.3 | 0 | -74 | 171.7 | -175.3 | 0 | 0 | 106.6 | |||||
| 2 | E | 44.9 | Very low | 45.2 | Very low | 191 Ų | 191 | 156.7 Ų | 156.7 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | -52.4 | 143 | -147.3 | -83.6 | 163.6 | 90.2 | 0 | 0 | 119.2 | ||||
| 3 | L | 43 | Very low | 44.6 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -84.3 | 140.9 | 152.8 | -74.9 | 149.3 | 0 | 0 | 0 | 108.4 | ||||
| 4 | T | 41.9 | Very low | 44.2 | Very low | 134 Ų | 134 | 154.6 Ų | 154.6 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | 169.5 | 133.6 | 125.3 | 28.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 5 | Q | 49.7 | Very low | 43.8 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -111.1 | 177.9 | 140.2 | -67.8 | -173.5 | -47.2 | 0 | 0 | 106.2 | ||||
| 6 | P | 58.6 | Low | 43.5 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | cis | -137.2 | -174.9 | -9.2 | 26.6 | -1 | 0 | 0 | 0 | 114.8 | ||||
| 7 | A | 42.9 | Very low | 43.6 | Very low | 88 Ų | 88 | 152.1 Ų | 152.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | 60.9 | 124.6 | 143.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 8 | E | 52 | Low | 43.5 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | 42.8 | 122.4 | 132.9 | -56 | -171.7 | 153.5 | 0 | 0 | 122.9 | ||||
| 9 | D | 41.5 | Very low | 43.4 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | 174.2 | 128 | 123.2 | -105.2 | -27.1 | 0 | 0 | 0 | 110.1 | |||||
| 10 | L | 42.1 | Very low | 43.4 | Very low | 143 Ų | 143 | 149.6 Ų | 149.6 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | 62.4 | 126.7 | 102.1 | -127.3 | 78.9 | 0 | 0 | 0 | 112.7 | |||||
| 11 | I | 41.4 | Very low | 43.3 | Very low | 129 Ų | 129 | 150.6 Ų | 150.6 | 66% | 0.662 | 82% | 0.818 | S | S | * | * | cis | -173 | 159.2 | 38 | -20.2 | -179.4 | 0 | 0 | 0 | 110.9 | ||||
| 12 | Q | 39 | Very low | 43 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | trans | 70.6 | 138 | 145.6 | -114.6 | 111.3 | 23.6 | 0 | 0 | 119.4 | ||||
| 13 | T | 38.1 | Very low | 43.3 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | cis | -175.5 | 166.1 | 34.3 | -22.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 14 | Q | 38.1 | Very low | 44 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | 108.5 | 105.3 | 156.2 | -60.2 | -159.5 | 85.1 | 0 | 0 | 115.6 | ||||
| 15 | Q | 38.5 | Very low | 44.1 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | 100.8 | 117.8 | 69.7 | -135.4 | 152.1 | -2.1 | 0 | 0 | 111.2 | |||||
| 16 | T | 38.4 | Very low | 44 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -60.5 | 159.1 | 175.3 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 17 | P | 46.8 | Very low | 43.7 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | -154.1 | 161.5 | 69.3 | 38.7 | -16.1 | 0 | 0 | 0 | 119.9 | |||||
| 18 | A | 41.5 | Very low | 43.5 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 48.6 | 122.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 19 | S | 41.4 | Very low | 43.2 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -162.5 | 97.2 | 138.5 | -68.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 20 | E | 42.4 | Very low | 43.4 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | 73.8 | 99.6 | 103.1 | -130.9 | -179.5 | 127.4 | 0 | 0 | 112.7 | |||||
| 21 | L | 41.1 | Very low | 43.2 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 116.3 | 172.8 | -76.6 | 151.3 | 0 | 0 | 0 | 108.3 | ||
| 22 | G | 40 | Very low | 43.4 | Very low | 72 Ų | 72 | 138.1 Ų | 138.1 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85 | 121.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 23 | D | 51.7 | Low | 43.7 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 134.6 | 167.2 | -62.9 | -68.8 | 0 | 0 | 0 | 110.7 | ||
| 24 | P | 56.4 | Low | 44.3 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 121 | 159.3 | 30.6 | -26.2 | 0 | 0 | 0 | 110.4 | ||
| 25 | E | 44.2 | Very low | 44.5 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 130.9 | 168.2 | -60.5 | -174.5 | 123.4 | 0 | 0 | 111.5 | ||
| 26 | D | 47.9 | Very low | 44.8 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 125.3 | 160.8 | 179.7 | 21.6 | 0 | 0 | 0 | 108.4 | G28 | D26-G28 PolarHBondContact OD1-N 3.48Š|
| 27 | P | 51.6 | Low | 45.1 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -146 | 131.7 | 124.5 | 33 | -16.2 | 0 | 0 | 0 | 113.1 | |||||
| 28 | G | 39 | Very low | 44.8 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 171.2 | 52.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | D26 E30 | D26-G28 PolarHBondContact OD1-N 3.48Å; G28-E30 PolarHBondContact O-N 3.06Å | ||
| 29 | E | 45.9 | Very low | 44.8 | Very low | 201 Ų | 201 | 133 Ų | 133 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | -79.1 | 102.4 | 160.4 | -102.5 | -175.2 | 160.1 | 0 | 0 | 109.7 | ||||
| 30 | E | 45.4 | Very low | 44.6 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -158.7 | 108.2 | 161.2 | -104.7 | -91.2 | 146.1 | 0 | 0 | 107.4 | G28 | G28-E30 PolarHBondContact O-N 3.06Š| ||
| 31 | A | 39.3 | Very low | 44.5 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | 153.9 | 146.5 | 127.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 32 | A | 45.1 | Very low | 44.5 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 85.5 | 75.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 33 | D | 45.7 | Very low | 44.4 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -64.9 | 136.3 | 137.2 | -170.5 | 13.6 | 0 | 0 | 0 | 109.4 | ||||
| 34 | G | 48.9 | Very low | 43.8 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 160.8 | 47 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D36 | G34-D36 PolarHBondContact O-N 3.36Š| ||
| 35 | S | 43.5 | Very low | 42.6 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | -87.8 | 74.3 | 174.3 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | T37 | S35-T37 PolarHBondContact O-N 3.43Š| ||
| 36 | D | 44.6 | Very low | 42.3 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -76.9 | 80.3 | 166.2 | -95.3 | -21.6 | 0 | 0 | 0 | 109.8 | G34 V38 | G34-D36 PolarHBondContact O-N 3.36Å; D36-V38 PolarHBondContact O-N 3.2Å | ||
| 37 | T | 45.2 | Very low | 41.9 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | -85.5 | 95.8 | 169.5 | -38.9 | 0 | 0 | 0 | 0 | 107.4 | S35 V39 | S35-T37 PolarHBondContact O-N 3.43Å; T37-V39 VanDerWaalsContact C-N 3.33Å; T37-V39 HydrophobicContact CG2-CG2 4.31Å; T37-V39 PolarHBondContact O-N 2.97Å | ||
| 38 | V | 39.9 | Very low | 41.3 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | -71.4 | 91.1 | 171.2 | -88.7 | 0 | 0 | 0 | 0 | 109.6 | D36 L40 | D36-V38 PolarHBondContact O-N 3.2Å; V38-L40 PolarHBondContact O-N 3.21Å | ||
| 39 | V | 42.4 | Very low | 41.5 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 66% | 0.655 | 79% | 0.794 | S | S | * | * | trans | -76.8 | 108.1 | 167.8 | -171 | 0 | 0 | 0 | 0 | 107.7 | T37 S41 | T37-V39 VanDerWaalsContact C-N 3.33Å; T37-V39 HydrophobicContact CG2-CG2 4.31Å; T37-V39 PolarHBondContact O-N 2.97Å; V39-S41 PolarHBondContact O-N 3.11Å | ||
| 40 | L | 37.4 | Very low | 41.2 | Very low | 168 Ų | 168 | 132 Ų | 132 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -71.5 | 83.2 | 168.6 | -73.8 | 172.4 | 0 | 0 | 0 | 109.3 | V38 L42 | V38-L40 PolarHBondContact O-N 3.21Å; L40-L42 PolarHBondContact O-N 2.89Å | ||
| 41 | S | 40 | Very low | 40.9 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 59% | 0.587 | 79% | 0.788 | S | S | * | * | trans | -81.6 | 112.7 | 172.1 | -62.7 | 0 | 0 | 0 | 0 | 110 | V39 F43 | V39-S41 PolarHBondContact O-N 3.11Å; S41-F43 PolarHBondContact O-N 3.4Å | ||
| 42 | L | 39.9 | Very low | 41.2 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 122.5 | 163.4 | -86.3 | 73.5 | 0 | 0 | 0 | 110.4 | L40 | L40-L42 PolarHBondContact O-N 2.89Š|
| 43 | F | 38.1 | Very low | 41.1 | Very low | 195 Ų | 195 | 136 Ų | 136 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 122.2 | 162.9 | -90.4 | -81.6 | 0 | 0 | 0 | 110.4 | S41 | S41-F43 PolarHBondContact O-N 3.4Š|
| 44 | P | 39.8 | Very low | 41.5 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80 | 124.8 | 154.9 | 29.9 | -25.5 | 0 | 0 | 0 | 109 | ||
| 45 | C | 30.1 | Very low | 40.6 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -82.4 | 114.1 | 176 | -163.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 46 | T | 39.6 | Very low | 40.1 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -115.7 | 131.6 | 165.7 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 47 | P | 39.3 | Very low | 39.4 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 130.2 | 175.3 | 32.4 | -29.8 | 0 | 0 | 0 | 111.1 | ||
| 48 | E | 38.3 | Very low | 38.9 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 150.2 | 167.9 | -72.5 | -141.9 | 141.4 | 0 | 0 | 112.1 | ||
| 49 | P | 42.9 | Very low | 38.6 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 139.2 | 178.2 | 35.1 | -31.7 | 0 | 0 | 0 | 112.7 | ||
| 50 | V | 39.8 | Very low | 38.2 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 122.7 | 174 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 51 | N | 38.3 | Very low | 38.5 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 149.9 | 166.9 | -87.1 | -32.8 | 0 | 0 | 0 | 111.4 | ||
| 52 | P | 47.6 | Very low | 38.2 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 149.1 | 177.2 | 37.1 | -30.1 | 0 | 0 | 0 | 112.7 | ||
| 53 | E | 41.7 | Very low | 37.8 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -111.6 | 146 | 161.8 | -70.3 | -159.3 | 130.8 | 0 | 0 | 110.8 | ||||
| 54 | P | 53.3 | Low | 37.8 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | trans | -107.5 | 165.8 | 178.6 | 39.7 | -31 | 0 | 0 | 0 | 114.5 | ||||
| 55 | D | 30.8 | Very low | 37.5 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | 108.5 | 119.2 | 146.5 | -70.9 | -24.7 | 0 | 0 | 0 | 122.4 | ||||
| 56 | A | 33 | Very low | 38.1 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | 78.9 | 112.5 | 136.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 57 | S | 30.8 | Very low | 38.3 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | 166.4 | 128.3 | 86.7 | 47.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 58 | V | 33.4 | Very low | 38.5 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | 42.4 | 113.8 | 139.2 | 174.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 59 | S | 33.4 | Very low | 38.2 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | 172.1 | 126.4 | 113.2 | -76.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 60 | S | 34.3 | Very low | 38.4 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -88.2 | 159.2 | 158.9 | -45.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 61 | P | 43.9 | Very low | 38.1 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | -147.2 | 158.3 | 69.3 | 32.7 | -10.3 | 0 | 0 | 0 | 117.3 | |||||
| 62 | Q | 33 | Very low | 38.2 | Very low | 198 Ų | 198 | 133 Ų | 133 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | 32.5 | 116.2 | 148.2 | -73.8 | 161.9 | -33.1 | 0 | 0 | 121.1 | ||||
| 63 | G | 32.3 | Very low | 37.9 | Very low | 79 Ų | 79 | 132.9 Ų | 132.9 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -171 | 113.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 64 | S | 38.7 | Very low | 38.2 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -63.3 | 128.2 | -179.9 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 65 | S | 33.8 | Very low | 37.6 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -174.8 | 106.1 | 140.8 | -156.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 66 | L | 42 | Very low | 38 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | 13.4 | 109 | 137.4 | -80.8 | 162.5 | 0 | 0 | 0 | 119.6 | ||||
| 67 | K | 43.9 | Very low | 38.7 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | 146.1 | 149.9 | 112.8 | -79.7 | 167.5 | -164.9 | -171.8 | 0 | 112.1 | |||||
| 68 | H | 42.2 | Very low | 39 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | 93.5 | 80.8 | 173.2 | -46.5 | -63.5 | 0 | 0 | 0 | 116.3 | ||||
| 69 | S | 32.5 | Very low | 39.7 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -161.4 | 112.8 | 137 | -146 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 70 | T | 46.8 | Very low | 40 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | 50.7 | 107.8 | 132.4 | -19.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 71 | T | 34.5 | Very low | 40.7 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -150.4 | 98.4 | 147.2 | -46 | 0 | 0 | 0 | 0 | 109.8 | T73 | T71-T73 HydrophobicContact CG2-CG2 4.03Å; T71-T73 PolarHBondContact O-N 3.31Å | ||
| 72 | L | 40.6 | Very low | 40.8 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -64.4 | 113 | 162.2 | -73.8 | 173 | 0 | 0 | 0 | 108.1 | ||||
| 73 | T | 40.8 | Very low | 41.6 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | trans | -121.8 | 103.9 | 166.5 | 34.9 | 0 | 0 | 0 | 0 | 109.1 | T71 R75 | T71-T73 HydrophobicContact CG2-CG2 4.03Å; T71-T73 PolarHBondContact O-N 3.31Å; T73-R75 VanDerWaalsContact C-N 3.26Å; T73-R75 PolarHBondContact O-N 3.29Å | ||
| 74 | N | 48.3 | Very low | 41.9 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | -65.2 | 88.9 | 161 | -90.6 | -13.1 | 0 | 0 | 0 | 108.9 | ||||
| 75 | R | 40.3 | Very low | 42.3 | Very low | 225 Ų | 225 | 145.1 Ų | 145.1 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | trans | -168.1 | 99.7 | 159.4 | -146.8 | 175 | -168 | 124.2 | -2.1 | 109.6 | T73 | T73-R75 VanDerWaalsContact C-N 3.26Å; T73-R75 PolarHBondContact O-N 3.29Å | ||
| 76 | Q | 39.2 | Very low | 42.8 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | -177.4 | 121.3 | 119 | -96.8 | 180 | 13.5 | 0 | 0 | 111.7 | G78 | Q76-G78 PolarHBondContact O-N 2.87Š| |||
| 77 | R | 47.6 | Very low | 42.9 | Very low | 256 Ų | 256 | 141.9 Ų | 141.9 | 97% | 0.966 | 78% | 0.778 | S | S | * | * | trans | -59.8 | 111.4 | 161.3 | -169.9 | -169.9 | -44.2 | 154.1 | 7.6 | 107.2 | ||||
| 78 | G | 37 | Very low | 43 | Very low | 60 Ų | 60 | 141 Ų | 141 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | trans | 175.5 | 71.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q76 E80 | Q76-G78 PolarHBondContact O-N 2.87Å; G78-E80 PolarHBondContact O-N 3.08Å | ||
| 79 | N | 48.6 | Very low | 43.4 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 31.3 | 63.5 | 139.5 | -151.8 | 36.6 | 0 | 0 | 0 | 117.7 | ||||
| 80 | E | 39.4 | Very low | 44.1 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -132.3 | 91.3 | 149.3 | -69.6 | -164.9 | 159.8 | 0 | 0 | 105.7 | G78 S82 | G78-E80 PolarHBondContact O-N 3.08Å; E80-S82 PolarHBondContact O-N 3.16Å | ||
| 81 | V | 48.4 | Very low | 44.6 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -67.3 | 75.5 | 156.4 | -171 | 0 | 0 | 0 | 0 | 104.4 | A83 | V81-A83 PolarHBondContact O-N 3.07Š| ||
| 82 | S | 46.7 | Very low | 45.8 | Very low | 88 Ų | 88 | 136 Ų | 136 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | trans | -53.9 | 104.4 | 160.9 | -70.6 | 0 | 0 | 0 | 0 | 103.6 | E80 L84 | E80-S82 PolarHBondContact O-N 3.16Å; S82-L84 PolarHBondContact O-N 3.4Å | ||
| 83 | A | 50.4 | Low | 47.8 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | trans | -51.6 | 90.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | V81 | V81-A83 PolarHBondContact O-N 3.07Š| ||
| 84 | L | 38.6 | Very low | 50.1 | Low | 146 Ų | 146 | 128 Ų | 128 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | trans | -46.3 | 125.6 | 143.1 | -62.8 | 176.8 | 0 | 0 | 0 | 103.1 | S82 A86 | S82-L84 PolarHBondContact O-N 3.4Å; L84-A86 PolarHBondContact O-N 3.17Å | ||
| 85 | P | 46.4 | Very low | 52.2 | Low | 103 Ų | 103 | 121.3 Ų | 121.3 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | trans | -57.4 | 98.8 | 172.6 | 22.7 | -30.1 | 0 | 0 | 0 | 106.2 | T87 | P85-T87 PolarHBondContact O-N 3.44Š| ||
| 86 | A | 45.4 | Very low | 54.6 | Low | 101 Ų | 101 | 116.9 Ų | 116.9 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | trans | -76.9 | 50.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108 | L84 | L84-A86 PolarHBondContact O-N 3.17Š| ||
| 87 | T | 42.9 | Very low | 57.3 | Low | 96 Ų | 96 | 111.4 Ų | 111.4 | 59% | 0.589 | 63% | 0.633 | S | S | * | * | trans | -135.6 | 53.2 | 171.1 | 58.7 | 0 | 0 | 0 | 0 | 105.4 | P85 D89 | P85-T87 PolarHBondContact O-N 3.44Å; T87-D89 PolarHBondContact O-N 3.23Å; T87-D89 VanDerWaalsContact O-N 3.12Å | ||
| 88 | L | 45.8 | Very low | 59.5 | Low | 148 Ų | 148 | 102.1 Ų | 102.1 | 78% | 0.775 | 60% | 0.602 | S | S | * | * | trans | -68.5 | 94.2 | 139.1 | -67.7 | 177.9 | 0 | 0 | 0 | 102.8 | C90 | L88-C90 PolarHBondContact O-N 3.35Å; L88-C90 PolarHBondContact O-SG 2.93Å; L88-C90 VanDerWaalsContact O-SG 3.37Å | ||
| 89 | D | 50.3 | Low | 62.3 | Low | 105 Ų | 105 | 107.6 Ų | 107.6 | 56% | 0.561 | 61% | 0.612 | S | S | * | * | trans | -61.4 | 80.7 | 165.9 | -69.2 | -31.6 | 0 | 0 | 0 | 106 | T87 D91 N92 | T87-D89 PolarHBondContact O-N 3.23Å; T87-D89 VanDerWaalsContact O-N 3.12Å; D89-D91 PolarHBondContact O-N 3.4Å; D89-D91 VanDerWaalsContact O-N 3.12Å; D89-N92 HydrophobicContact CB-CB 4.13Å; D89-N92 PolarHBondContact O-N 3.14Å | ||
| 90 | C | 49.3 | Very low | 64.4 | Low | 68 Ų | 68 | 106 Ų | 106 | 46% | 0.459 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -56.6 | -26 | 176.4 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | L88 N92 | L88-C90 PolarHBondContact O-N 3.35Å; L88-C90 PolarHBondContact O-SG 2.93Å; L88-C90 VanDerWaalsContact O-SG 3.37Å; C90-N92 VanDerWaalsContact C-N 3.26Å; C90-N92 PolarHBondContact O-N 3.32Å |
| 91 | D | 55.3 | Low | 67 | Low | 146 Ų | 146 | 98.4 Ų | 98.4 | 78% | 0.781 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -70.4 | -17.5 | 178.7 | -59.7 | -14.8 | 0 | 0 | 0 | 113.1 | D89 | D89-D91 PolarHBondContact O-N 3.4Å; D89-D91 VanDerWaalsContact O-N 3.12Å |
| 92 | N | 61.4 | Low | 69.3 | Low | 108 Ų | 108 | 92.3 Ų | 92.3 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -105.3 | -5 | -177.4 | -156 | -3.2 | 0 | 0 | 0 | 114.1 | D89 C90 | D89-N92 HydrophobicContact CB-CB 4.13Å; D89-N92 PolarHBondContact O-N 3.14Å; C90-N92 VanDerWaalsContact C-N 3.26Å; C90-N92 PolarHBondContact O-N 3.32Å |
| 93 | L | 82 | Confident | 71.7 | Confident | 105 Ų | 105 | 88.1 Ų | 88.1 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -29.9 | 177.3 | -71.1 | 178.6 | 0 | 0 | 0 | 112.7 | N95 K96 | L93-N95 PolarHBondContact O-N 3.09Å; L93-K96 HydrophobicContact CD2-CD 4.02Å; L93-K96 PolarHBondContact O-N 3.37Å |
| 94 | V | 88.3 | Confident | 73.8 | Confident | 15 Ų | 15 | 86.3 Ų | 86.3 | 9% | 0.091 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.6 | -175.9 | 72.8 | 0 | 0 | 0 | 0 | 112.7 | P104 L120 W123 A125 | V94-P104 WeakPolarHBondContact O-CD 3.2Å; V94-L120 HydrophobicContact CG2-CD2 3.78Å; V94-W123 HydrophobicContact CG2-CB 4.5Å; V94-A125 HydrophobicContact CG2-CB 3.73Å |
| 95 | N | 92.3 | Very high | 76.6 | Confident | 37 Ų | 37 | 79.4 Ų | 79.4 | 20% | 0.198 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 5.8 | -179.2 | -68.7 | -38.7 | 0 | 0 | 0 | 113.3 | L93 P97 G124 A125 D126 I129 | L93-N95 PolarHBondContact O-N 3.09Å; N95-P97 WeakPolarHBondContact O-CD 3.37Å; N95-G124 PolarHBondContact ND2-O 3.17Å; N95-A125 WeakPolarHBondContact OD1-CA 3.15Å; N95-D126 PolarHBondContact OD1-N 3.49Å; N95-I129 HydrophobicContact CB-CD1 3.79Å |
| 96 | K | 92.4 | Very high | 79.1 | Confident | 133 Ų | 133 | 74.6 Ų | 74.6 | 58% | 0.578 | 41% | 0.407 | S | S | * | . | trans | -68.8 | 116 | -177.8 | -174.3 | 178.7 | 177.9 | -176.9 | 0 | 109.8 | L93 | L93-K96 HydrophobicContact CD2-CD 4.02Å; L93-K96 PolarHBondContact O-N 3.37Å | ||
| 97 | P | 94.4 | Very high | 81.5 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 46% | 0.461 | 38% | 0.383 | S | S | . | . | trans | -75.4 | 151.8 | 176.6 | 30.8 | -33 | 0 | 0 | 0 | 111.2 | N95 F102 | N95-P97 WeakPolarHBondContact O-CD 3.37Å; P97-F102 CarbonylContact C-O 3.54Å; P97-F102 WeakPolarHBondContact CA-O 3.35Å | ||
| 98 | D | 94.3 | Very high | 84.1 | Confident | 60 Ų | 60 | 69.6 Ų | 69.6 | 32% | 0.321 | 36% | 0.358 | S | S | . | . | trans | -78.5 | -174 | 167.5 | 73.1 | 8.8 | 0 | 0 | 0 | 112.4 | R100 G101 F102 W107 | D98-R100 PolarHBondContact O-N 3.17Å; D98-R100 VanDerWaalsContact O-N 3.13Å; D98-R100 VanDerWaalsContact OD1-CA 3.31Å; D98-R100 WeakPolarHBondContact OD1-CA 3.45Å; D98-R100 WeakPolarHBondContact OD1-CB 3.21Å; D98-R100 PolarHBondContact OD1-N 2.9Å; D98-G101 PolarHBondContact O-N 3.44Å; D98-G101 PolarHBondContact OD1-N 3.02Å; D98-F102 PolarHBondContact N-O 3.25Å; D98-F102 PolarHBondContact OD1-N 2.91Å; D98-W107 PolarHBondContact OD2-NE1 3.42Å | ||
| 99 | E | 95.1 | Very high | 86.6 | Confident | 175 Ų | 175 | 62.6 Ų | 62.6 | 82% | 0.818 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.4 | 179 | -63.9 | -176.4 | 178.1 | 0 | 0 | 113.8 | K132 | E99-K132 WeakPolarHBondContact O-CE 3.47Å; E99-K132 PolarHBondContact O-NZ 2.95Å |
| 100 | R | 93.3 | Very high | 88.8 | Confident | 127 Ų | 127 | 59 Ų | 59 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -1.5 | 176.8 | -67.4 | 174.7 | 61.8 | -146.3 | -3.3 | 112.4 | D98 F102 K132 | D98-R100 PolarHBondContact O-N 3.17Å; D98-R100 VanDerWaalsContact O-N 3.13Å; D98-R100 VanDerWaalsContact OD1-CA 3.31Å; D98-R100 WeakPolarHBondContact OD1-CA 3.45Å; D98-R100 WeakPolarHBondContact OD1-CB 3.21Å; D98-R100 PolarHBondContact OD1-N 2.9Å; R100-F102 HydrophobicContact CB-CD2 3.47Å; R100-F102 VanDerWaalsContact CB-CD2 3.47Å; R100-F102 HydrophobicContact CB-CE2 3.78Å; R100-F102 VanDerWaalsContact CZ-CE2 3.44Å; R100-F102 VanDerWaalsContact NH2-CE2 3.33Å; R100-F102 VanDerWaalsContact NH2-CZ 3.32Å; R100-K132 WeakPolarHBondContact O-CB 3.25Å; R100-K132 VanDerWaalsContact O-CG 3.32Å; R100-K132 WeakPolarHBondContact O-CG 3.5Å; R100-K132 PolarHBondContact O-N 3.4Å |
| 101 | G | 94.4 | Very high | 91.1 | Very high | 11 Ų | 11 | 62 Ų | 62 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 88.5 | 2.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D98 A131 | D98-G101 PolarHBondContact O-N 3.44Å; D98-G101 PolarHBondContact OD1-N 3.02Å; G101-A131 WeakPolarHBondContact O-CA 3.41Å |
| 102 | F | 96.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | trans | -79.2 | 126.1 | -176.9 | -73.5 | -111.8 | 0 | 0 | 0 | 110.2 | P97 D98 R100 I106 W107 A131 E135 L140 | P97-F102 CarbonylContact C-O 3.54Å; P97-F102 WeakPolarHBondContact CA-O 3.35Å; D98-F102 PolarHBondContact N-O 3.25Å; D98-F102 PolarHBondContact OD1-N 2.91Å; R100-F102 HydrophobicContact CB-CD2 3.47Å; R100-F102 VanDerWaalsContact CB-CD2 3.47Å; R100-F102 HydrophobicContact CB-CE2 3.78Å; R100-F102 VanDerWaalsContact CZ-CE2 3.44Å; R100-F102 VanDerWaalsContact NH2-CE2 3.33Å; R100-F102 VanDerWaalsContact NH2-CZ 3.32Å; F102-I106 HydrophobicContact CB-CG2 4.49Å; F102-I106 HydrophobicContact CD1-CB 4.18Å; F102-I106 HydrophobicContact CD1-CG2 3.29Å; F102-I106 HydrophobicContact CE1-CG2 3.72Å; F102-I106 HydrophobicContact CG-CG2 4.16Å; F102-W107 HydrophobicContact CB-CG 4.39Å; F102-W107 VanDerWaalsContact CB-NE1 3.28Å; F102-W107 HydrophobicContact CD1-CD2 4.35Å; F102-W107 AromaticContact CG-NE1 3.98Å; F102-A131 HydrophobicContact CD2-CB 3.87Å; F102-A131 HydrophobicContact CE2-CB 3.87Å; F102-A131 HydrophobicContact CG-CB 4.31Å; F102-A131 HydrophobicContact CZ-CB 4.33Å; F102-E135 WeakPolarHBondContact CE2-OE2 3.46Å; F102-E135 WeakPolarHBondContact CZ-OE2 3.4Å; F102-L140 HydrophobicContact CD1-CD1 4.28Å; F102-L140 HydrophobicContact CE1-CD1 3.63Å | ||
| 103 | T | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | trans | -84.4 | 162.6 | 170.5 | 67.4 | 0 | 0 | 0 | 0 | 110.5 | L105 I106 W107 I129 | T103-L105 PolarHBondContact O-N 3.43Å; T103-L105 VanDerWaalsContact O-N 3.16Å; T103-I106 HydrophobicContact CG2-CD1 4.44Å; T103-I106 PolarHBondContact O-N 3.11Å; T103-I106 VanDerWaalsContact O-N 3.08Å; T103-I106 WeakPolarHBondContact OG1-CG1 3.43Å; T103-I106 PolarHBondContact OG1-N 3.09Å; T103-W107 PolarHBondContact O-N 3.1Å; T103-W107 VanDerWaalsContact O-N 3.08Å; T103-I129 HydrophobicContact CG2-CB 4.02Å; T103-I129 HydrophobicContact CG2-CD1 3.93Å; T103-I129 HydrophobicContact CG2-CG2 3.51Å | ||
| 104 | P | 96 | Very high | 95.4 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -50.6 | -36.8 | 172 | -28.9 | 35.2 | 0 | 0 | 0 | 113.5 | V94 W107 A108 L120 | V94-P104 WeakPolarHBondContact O-CD 3.2Å; P104-W107 PolarHBondContact O-N 3Å; P104-A108 WeakPolarHBondContact O-CB 3.25Å; P104-A108 PolarHBondContact O-N 3.41Å; P104-L120 HydrophobicContact CB-CD1 4.06Å; P104-L120 HydrophobicContact CB-CD2 4.15Å |
| 105 | L | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 178.6 | -178.1 | 66.6 | 0 | 0 | 0 | 112.4 | T103 W107 A108 S109 V117 L120 L121 A125 P127 A137 L153 | T103-L105 PolarHBondContact O-N 3.43Å; T103-L105 VanDerWaalsContact O-N 3.16Å; L105-W107 VanDerWaalsContact C-N 3.35Å; L105-A108 PolarHBondContact O-N 2.98Å; L105-S109 WeakPolarHBondContact O-CB 3.25Å; L105-S109 PolarHBondContact O-N 2.83Å; L105-S109 PolarHBondContact O-OG 2.99Å; L105-V117 HydrophobicContact CD1-CB 4.42Å; L105-V117 HydrophobicContact CD1-CG1 3.97Å; L105-V117 HydrophobicContact CD1-CG2 4.41Å; L105-L120 HydrophobicContact CB-CD1 4.31Å; L105-L120 HydrophobicContact CD1-CB 4.15Å; L105-L120 HydrophobicContact CD1-CD1 4.41Å; L105-L121 HydrophobicContact CD1-CD2 4.1Å; L105-L121 HydrophobicContact CD1-CG 4.01Å; L105-L121 HydrophobicContact CD2-CD2 3.81Å; L105-A125 HydrophobicContact CB-CB 4.2Å; L105-A125 HydrophobicContact CD2-CB 4.04Å; L105-P127 HydrophobicContact CD2-CB 3.86Å; L105-A137 HydrophobicContact CG-CB 4.3Å; L105-L153 HydrophobicContact CD2-CD2 4.4Å |
| 106 | I | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.3 | -64.3 | 174.4 | 0 | 0 | 0 | 109.6 | F102 T103 S109 A110 A131 A137 L140 | F102-I106 HydrophobicContact CB-CG2 4.49Å; F102-I106 HydrophobicContact CD1-CB 4.18Å; F102-I106 HydrophobicContact CD1-CG2 3.29Å; F102-I106 HydrophobicContact CE1-CG2 3.72Å; F102-I106 HydrophobicContact CG-CG2 4.16Å; T103-I106 HydrophobicContact CG2-CD1 4.44Å; T103-I106 PolarHBondContact O-N 3.11Å; T103-I106 VanDerWaalsContact O-N 3.08Å; T103-I106 WeakPolarHBondContact OG1-CG1 3.43Å; T103-I106 PolarHBondContact OG1-N 3.09Å; I106-S109 PolarHBondContact O-N 3.06Å; I106-A110 WeakPolarHBondContact O-CB 3.32Å; I106-A110 PolarHBondContact O-N 3.31Å; I106-A131 HydrophobicContact CD1-CB 4.4Å; I106-A137 HydrophobicContact CG1-CB 4.24Å; I106-L140 HydrophobicContact CG2-CD1 3.27Å; I106-L140 HydrophobicContact CG2-CG 4.45Å |
| 107 | W | 97.4 | Very high | 96.3 | Very high | 86 Ų | 86 | 53.1 Ų | 53.1 | 33% | 0.326 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 176.3 | -83.5 | 117.2 | 0 | 0 | 0 | 112.9 | D98 F102 T103 P104 L105 S109 A110 F111 | D98-W107 PolarHBondContact OD2-NE1 3.42Å; F102-W107 HydrophobicContact CB-CG 4.39Å; F102-W107 VanDerWaalsContact CB-NE1 3.28Å; F102-W107 HydrophobicContact CD1-CD2 4.35Å; F102-W107 AromaticContact CG-NE1 3.98Å; T103-W107 PolarHBondContact O-N 3.1Å; T103-W107 VanDerWaalsContact O-N 3.08Å; P104-W107 PolarHBondContact O-N 3Å; L105-W107 VanDerWaalsContact C-N 3.35Å; W107-S109 PolarHBondContact O-N 3.32Å; W107-A110 PolarHBondContact O-N 3.1Å; W107-A110 VanDerWaalsContact O-N 3.15Å; W107-F111 HydrophobicContact CD2-CE2 4.36Å; W107-F111 HydrophobicContact CE3-CD2 4.03Å; W107-F111 AromaticContact CE3-CE2 3.27Å; W107-F111 HydrophobicContact CE3-CE2 3.27Å; W107-F111 HydrophobicContact CE3-CZ 4.01Å; W107-F111 AromaticContact CZ3-CE2 3.54Å; W107-F111 HydrophobicContact CZ3-CE2 3.54Å; W107-F111 AromaticContact CZ3-CZ 3.78Å; W107-F111 HydrophobicContact CZ3-CZ 3.78Å; W107-F111 VanDerWaalsContact O-CD2 3.26Å; W107-F111 WeakPolarHBondContact O-CD2 3.46Å; W107-F111 PolarHBondContact O-N 3.18Å |
| 108 | A | 97.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P104 L105 F111 G112 E113 T116 V117 L120 | P104-A108 WeakPolarHBondContact O-CB 3.25Å; P104-A108 PolarHBondContact O-N 3.41Å; L105-A108 PolarHBondContact O-N 2.98Å; A108-F111 PolarHBondContact O-N 3.04Å; A108-G112 PolarHBondContact O-N 3.41Å; A108-G112 VanDerWaalsContact O-N 3.15Å; A108-E113 HydrophobicContact CB-CB 4.35Å; A108-E113 PolarHBondContact O-N 3.47Å; A108-T116 HydrophobicContact CB-CG2 3.88Å; A108-V117 HydrophobicContact CB-CG2 3.73Å; A108-L120 HydrophobicContact CB-CD1 4.05Å |
| 109 | S | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -36.6 | 177.1 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | L105 I106 W107 F111 A137 Y146 | L105-S109 WeakPolarHBondContact O-CB 3.25Å; L105-S109 PolarHBondContact O-N 2.83Å; L105-S109 PolarHBondContact O-OG 2.99Å; I106-S109 PolarHBondContact O-N 3.06Å; W107-S109 PolarHBondContact O-N 3.32Å; S109-F111 VanDerWaalsContact C-N 3.33Å; S109-F111 PolarHBondContact O-N 2.75Å; S109-A137 WeakPolarHBondContact CB-O 3.41Å; S109-Y146 VanDerWaalsContact O-CD2 3.28Å; S109-Y146 WeakPolarHBondContact O-CD2 3.47Å |
| 110 | A | 97.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.2 | -29.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I106 W107 L140 | I106-A110 WeakPolarHBondContact O-CB 3.32Å; I106-A110 PolarHBondContact O-N 3.31Å; W107-A110 PolarHBondContact O-N 3.1Å; W107-A110 VanDerWaalsContact O-N 3.15Å; A110-L140 HydrophobicContact CB-CB 4Å; A110-L140 HydrophobicContact CB-CD1 3.82Å; A110-L140 HydrophobicContact CB-CG 4.48Å |
| 111 | F | 96.8 | Very high | 96.5 | Very high | 132 Ų | 132 | 43 Ų | 43 | 58% | 0.579 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -97.8 | -5.6 | -179.9 | -70.5 | -65.1 | 0 | 0 | 0 | 114.5 | W107 A108 S109 E113 Y146 | W107-F111 HydrophobicContact CD2-CE2 4.36Å; W107-F111 HydrophobicContact CE3-CD2 4.03Å; W107-F111 AromaticContact CE3-CE2 3.27Å; W107-F111 HydrophobicContact CE3-CE2 3.27Å; W107-F111 HydrophobicContact CE3-CZ 4.01Å; W107-F111 AromaticContact CZ3-CE2 3.54Å; W107-F111 HydrophobicContact CZ3-CE2 3.54Å; W107-F111 AromaticContact CZ3-CZ 3.78Å; W107-F111 HydrophobicContact CZ3-CZ 3.78Å; W107-F111 VanDerWaalsContact O-CD2 3.26Å; W107-F111 WeakPolarHBondContact O-CD2 3.46Å; W107-F111 PolarHBondContact O-N 3.18Å; A108-F111 PolarHBondContact O-N 3.04Å; S109-F111 VanDerWaalsContact C-N 3.33Å; S109-F111 PolarHBondContact O-N 2.75Å; F111-E113 HydrophobicContact CB-CG 4.21Å; F111-Y146 PolarHBondContact O-OH 3.48Å |
| 112 | G | 96.4 | Very high | 96.4 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 20 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | A108 I114 Y146 | A108-G112 PolarHBondContact O-N 3.41Å; A108-G112 VanDerWaalsContact O-N 3.15Å; G112-I114 VanDerWaalsContact C-N 3.31Å; G112-I114 PolarHBondContact O-N 3.1Å; G112-Y146 VanDerWaalsContact CA-CE2 3.41Å; G112-Y146 VanDerWaalsContact CA-CZ 3.41Å |
| 113 | E | 97.2 | Very high | 96.2 | Very high | 107 Ų | 107 | 55.7 Ų | 55.7 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | trans | -80 | 74.1 | -176 | -67.9 | -66.3 | 164.7 | 0 | 0 | 111.3 | A108 F111 E115 T116 V117 | A108-E113 HydrophobicContact CB-CB 4.35Å; A108-E113 PolarHBondContact O-N 3.47Å; F111-E113 HydrophobicContact CB-CG 4.21Å; E113-E115 PolarHBondContact O-N 3.32Å; E113-T116 WeakPolarHBondContact O-CB 3.45Å; E113-T116 PolarHBondContact O-N 3.21Å; E113-T116 VanDerWaalsContact O-N 3.09Å; E113-V117 WeakPolarHBondContact O-CG2 3.34Å; E113-V117 PolarHBondContact O-N 2.98Å | ||
| 114 | I | 96.5 | Very high | 96 | Very high | 46 Ų | 46 | 57.9 Ų | 57.9 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.2 | -43.6 | -172 | -170.7 | 178.1 | 0 | 0 | 0 | 113.9 | G112 T116 V117 R118 D148 I149 L152 | G112-I114 VanDerWaalsContact C-N 3.31Å; G112-I114 PolarHBondContact O-N 3.1Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 3Å; I114-V117 PolarHBondContact O-N 3.3Å; I114-R118 PolarHBondContact O-N 3.4Å; I114-D148 HydrophobicContact CD1-CB 3.47Å; I114-D148 VanDerWaalsContact CD1-CB 3.47Å; I114-I149 HydrophobicContact CB-CD1 4.45Å; I114-I149 HydrophobicContact CB-CG1 4.14Å; I114-I149 HydrophobicContact CG1-CG1 4.22Å; I114-L152 HydrophobicContact CG1-CD1 4.11Å |
| 115 | E | 97.1 | Very high | 95.9 | Very high | 121 Ų | 121 | 55.8 Ų | 55.8 | 57% | 0.565 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.3 | -35.7 | -179.5 | -61.5 | -52 | 143.9 | 0 | 0 | 111.4 | E113 R118 F119 | E113-E115 PolarHBondContact O-N 3.32Å; E115-R118 PolarHBondContact O-N 3.27Å; E115-R118 IonicContact OE2-NE 3.21Å; E115-F119 WeakPolarHBondContact O-CB 3.33Å; E115-F119 PolarHBondContact O-N 3.49Å |
| 116 | T | 95.9 | Very high | 95.8 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 174.5 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | A108 E113 I114 R118 F119 L120 | A108-T116 HydrophobicContact CB-CG2 3.88Å; E113-T116 WeakPolarHBondContact O-CB 3.45Å; E113-T116 PolarHBondContact O-N 3.21Å; E113-T116 VanDerWaalsContact O-N 3.09Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 3Å; T116-R118 PolarHBondContact O-N 2.93Å; T116-F119 PolarHBondContact O-N 3.3Å; T116-L120 HydrophobicContact CG2-CD1 3.91Å; T116-L120 HydrophobicContact CG2-CG 4.29Å; T116-L120 WeakPolarHBondContact O-CB 3.5Å; T116-L120 WeakPolarHBondContact O-CG 3.34Å; T116-L120 PolarHBondContact O-N 3.38Å |
| 117 | V | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 174.3 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | L105 A108 E113 I114 F119 L120 L121 I149 L152 | L105-V117 HydrophobicContact CD1-CB 4.42Å; L105-V117 HydrophobicContact CD1-CG1 3.97Å; L105-V117 HydrophobicContact CD1-CG2 4.41Å; A108-V117 HydrophobicContact CB-CG2 3.73Å; E113-V117 WeakPolarHBondContact O-CG2 3.34Å; E113-V117 PolarHBondContact O-N 2.98Å; I114-V117 PolarHBondContact O-N 3.3Å; V117-F119 PolarHBondContact O-N 2.88Å; V117-L120 PolarHBondContact O-N 3.19Å; V117-L121 HydrophobicContact CG1-CD1 3.79Å; V117-L121 HydrophobicContact CG1-CG 4.32Å; V117-L121 WeakPolarHBondContact O-CB 3.45Å; V117-L121 VanDerWaalsContact O-CG 3.27Å; V117-L121 WeakPolarHBondContact O-CG 3.44Å; V117-L121 PolarHBondContact O-N 3.35Å; V117-I149 HydrophobicContact CG1-CG2 4.21Å; V117-I149 HydrophobicContact CG2-CD1 4.09Å; V117-I149 HydrophobicContact CG2-CG1 4.35Å; V117-I149 HydrophobicContact CG2-CG2 4.14Å; V117-L152 HydrophobicContact CG1-CD1 4.36Å |
| 118 | R | 96.5 | Very high | 95.7 | Very high | 91 Ų | 91 | 60.1 Ų | 60.1 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.6 | -50.8 | 177.6 | -177 | -173.6 | -52.4 | -68.4 | -5.5 | 111.2 | I114 E115 T116 L120 L121 E122 | I114-R118 PolarHBondContact O-N 3.4Å; E115-R118 PolarHBondContact O-N 3.27Å; E115-R118 IonicContact OE2-NE 3.21Å; T116-R118 PolarHBondContact O-N 2.93Å; R118-L120 PolarHBondContact O-N 3.38Å; R118-L121 PolarHBondContact O-N 2.96Å; R118-E122 WeakPolarHBondContact CG-OE1 3.42Å; R118-E122 WeakPolarHBondContact O-CG 3.24Å; R118-E122 PolarHBondContact O-N 3.28Å |
| 119 | F | 95.6 | Very high | 95.6 | Very high | 106 Ų | 106 | 61.9 Ų | 61.9 | 47% | 0.465 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 179.7 | -179.9 | -98.8 | 0 | 0 | 0 | 112 | E115 T116 V117 E122 W123 | E115-F119 WeakPolarHBondContact O-CB 3.33Å; E115-F119 PolarHBondContact O-N 3.49Å; T116-F119 PolarHBondContact O-N 3.3Å; V117-F119 PolarHBondContact O-N 2.88Å; F119-E122 PolarHBondContact O-N 3Å; F119-W123 HydrophobicContact CE1-CD2 4.36Å; F119-W123 HydrophobicContact CE1-CG 4.18Å; F119-W123 AromaticContact CE2-CD1 3.76Å; F119-W123 AromaticContact CE2-NE1 3.64Å; F119-W123 AromaticContact CZ-CD1 3.58Å; F119-W123 HydrophobicContact CZ-CD2 4.22Å; F119-W123 AromaticContact CZ-CE2 3.76Å; F119-W123 HydrophobicContact CZ-CG 4.12Å; F119-W123 HydrophobicContact CZ-CZ2 4.39Å; F119-W123 AromaticContact CZ-NE1 3.34Å; F119-W123 VanDerWaalsContact CZ-NE1 3.34Å; F119-W123 WeakPolarHBondContact O-CB 3.5Å; F119-W123 PolarHBondContact O-N 2.98Å |
| 120 | L | 95 | Very high | 95.5 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 178.1 | -72.5 | 171.9 | 0 | 0 | 0 | 111.7 | V94 P104 L105 A108 T116 V117 R118 E122 W123 G124 A125 | V94-L120 HydrophobicContact CG2-CD2 3.78Å; P104-L120 HydrophobicContact CB-CD1 4.06Å; P104-L120 HydrophobicContact CB-CD2 4.15Å; L105-L120 HydrophobicContact CB-CD1 4.31Å; L105-L120 HydrophobicContact CD1-CB 4.15Å; L105-L120 HydrophobicContact CD1-CD1 4.41Å; A108-L120 HydrophobicContact CB-CD1 4.05Å; T116-L120 HydrophobicContact CG2-CD1 3.91Å; T116-L120 HydrophobicContact CG2-CG 4.29Å; T116-L120 WeakPolarHBondContact O-CB 3.5Å; T116-L120 WeakPolarHBondContact O-CG 3.34Å; T116-L120 PolarHBondContact O-N 3.38Å; V117-L120 PolarHBondContact O-N 3.19Å; R118-L120 PolarHBondContact O-N 3.38Å; L120-E122 VanDerWaalsContact C-N 3.29Å; L120-E122 PolarHBondContact O-N 3.44Å; L120-W123 CarbonylContact O-C 3.57Å; L120-W123 PolarHBondContact O-N 3.27Å; L120-W123 VanDerWaalsContact O-N 3.16Å; L120-G124 PolarHBondContact O-N 3.46Å; L120-A125 HydrophobicContact CB-CB 3.88Å; L120-A125 WeakPolarHBondContact O-CB 3.39Å; L120-A125 PolarHBondContact O-N 2.95Å |
| 121 | L | 94.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.5 | -28.3 | 177.9 | -72.2 | 176.3 | 0 | 0 | 0 | 113.4 | L105 V117 R118 P127 L152 L153 R156 | L105-L121 HydrophobicContact CD1-CD2 4.1Å; L105-L121 HydrophobicContact CD1-CG 4.01Å; L105-L121 HydrophobicContact CD2-CD2 3.81Å; V117-L121 HydrophobicContact CG1-CD1 3.79Å; V117-L121 HydrophobicContact CG1-CG 4.32Å; V117-L121 WeakPolarHBondContact O-CB 3.45Å; V117-L121 VanDerWaalsContact O-CG 3.27Å; V117-L121 WeakPolarHBondContact O-CG 3.44Å; V117-L121 PolarHBondContact O-N 3.35Å; R118-L121 PolarHBondContact O-N 2.96Å; L121-P127 HydrophobicContact CD2-CB 4.12Å; L121-P127 HydrophobicContact CD2-CG 4.36Å; L121-L152 HydrophobicContact CD1-CB 4.21Å; L121-L153 HydrophobicContact CD1-CD2 4.44Å; L121-R156 HydrophobicContact CD2-CG 4.36Å; L121-R156 PolarHBondContact O-NH1 3.4Å; L121-R156 PolarHBondContact O-NH2 3.45Å |
| 122 | E | 93.4 | Very high | 95.3 | Very high | 135 Ų | 135 | 63.5 Ų | 63.5 | 63% | 0.631 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -75.9 | -32.9 | 171.9 | -74 | 173.4 | -169.8 | 0 | 0 | 112 | R118 F119 L120 G124 | R118-E122 WeakPolarHBondContact CG-OE1 3.42Å; R118-E122 WeakPolarHBondContact O-CG 3.24Å; R118-E122 PolarHBondContact O-N 3.28Å; F119-E122 PolarHBondContact O-N 3Å; L120-E122 VanDerWaalsContact C-N 3.29Å; L120-E122 PolarHBondContact O-N 3.44Å; E122-G124 PolarHBondContact O-N 2.97Å |
| 123 | W | 91.6 | Very high | 95.3 | Very high | 152 Ų | 152 | 66.6 Ų | 66.6 | 58% | 0.576 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 2.6 | 176.9 | -103.2 | 59.7 | 0 | 0 | 0 | 114.9 | V94 F119 L120 | V94-W123 HydrophobicContact CG2-CB 4.5Å; F119-W123 HydrophobicContact CE1-CD2 4.36Å; F119-W123 HydrophobicContact CE1-CG 4.18Å; F119-W123 AromaticContact CE2-CD1 3.76Å; F119-W123 AromaticContact CE2-NE1 3.64Å; F119-W123 AromaticContact CZ-CD1 3.58Å; F119-W123 HydrophobicContact CZ-CD2 4.22Å; F119-W123 AromaticContact CZ-CE2 3.76Å; F119-W123 HydrophobicContact CZ-CG 4.12Å; F119-W123 HydrophobicContact CZ-CZ2 4.39Å; F119-W123 AromaticContact CZ-NE1 3.34Å; F119-W123 VanDerWaalsContact CZ-NE1 3.34Å; F119-W123 WeakPolarHBondContact O-CB 3.5Å; F119-W123 PolarHBondContact O-N 2.98Å; L120-W123 CarbonylContact O-C 3.57Å; L120-W123 PolarHBondContact O-N 3.27Å; L120-W123 VanDerWaalsContact O-N 3.16Å |
| 124 | G | 91.3 | Very high | 95.2 | Very high | 47 Ų | 47 | 65.9 Ų | 65.9 | 49% | 0.485 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 24.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N95 L120 E122 D126 | N95-G124 PolarHBondContact ND2-O 3.17Å; L120-G124 PolarHBondContact O-N 3.46Å; E122-G124 PolarHBondContact O-N 2.97Å; G124-D126 PolarHBondContact O-N 3.15Å |
| 125 | A | 94.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | trans | -58.8 | 133.5 | 165 | 0 | 0 | 0 | 0 | 0 | 110.2 | V94 N95 L105 L120 P127 | V94-A125 HydrophobicContact CG2-CB 3.73Å; N95-A125 WeakPolarHBondContact OD1-CA 3.15Å; L105-A125 HydrophobicContact CB-CB 4.2Å; L105-A125 HydrophobicContact CD2-CB 4.04Å; L120-A125 HydrophobicContact CB-CB 3.88Å; L120-A125 WeakPolarHBondContact O-CB 3.39Å; L120-A125 PolarHBondContact O-N 2.95Å; A125-P127 WeakPolarHBondContact O-CD 3.33Å | ||
| 126 | D | 95.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | trans | -86.7 | 111.2 | 177.3 | -178.5 | -3.5 | 0 | 0 | 0 | 109.6 | N95 G124 H128 I129 | N95-D126 PolarHBondContact OD1-N 3.49Å; G124-D126 PolarHBondContact O-N 3.15Å; D126-H128 PolarHBondContact O-N 2.97Å; D126-H128 VanDerWaalsContact OD1-CB 3.29Å; D126-H128 WeakPolarHBondContact OD1-CB 3.45Å; D126-H128 IonicContact OD1-CD2 3.78Å; D126-H128 PolarHBondContact OD1-CD2 3.04Å; D126-H128 IonicContact OD1-CG 3.6Å; D126-H128 PolarHBondContact OD1-N 3.06Å; D126-I129 HydrophobicContact CB-CD1 3.78Å; D126-I129 HydrophobicContact CB-CG1 3.9Å | ||
| 127 | P | 95.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 56.8 Ų | 56.8 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -6.9 | 180 | 35.6 | -36.8 | 0 | 0 | 0 | 113.5 | L105 L121 A125 L153 R156 V158 | L105-P127 HydrophobicContact CD2-CB 3.86Å; L121-P127 HydrophobicContact CD2-CB 4.12Å; L121-P127 HydrophobicContact CD2-CG 4.36Å; A125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-L153 HydrophobicContact CB-CD2 4.02Å; P127-R156 HydrophobicContact CG-CB 3.73Å; P127-R156 HydrophobicContact CG-CG 4.3Å; P127-V158 HydrophobicContact CB-CG1 3.65Å; P127-V158 HydrophobicContact CG-CG1 3.87Å |
| 128 | H | 96 | Very high | 95.3 | Very high | 102 Ų | 102 | 57 Ų | 57 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -8.3 | 179.1 | -53.6 | -77.8 | 0 | 0 | 0 | 113 | D126 L130 R156 D157 | D126-H128 PolarHBondContact O-N 2.97Å; D126-H128 VanDerWaalsContact OD1-CB 3.29Å; D126-H128 WeakPolarHBondContact OD1-CB 3.45Å; D126-H128 IonicContact OD1-CD2 3.78Å; D126-H128 PolarHBondContact OD1-CD2 3.04Å; D126-H128 IonicContact OD1-CG 3.6Å; D126-H128 PolarHBondContact OD1-N 3.06Å; H128-L130 PolarHBondContact O-N 2.91Å; H128-R156 PolarHBondContact CE1-O 3.13Å; H128-R156 PolarHBondContact NE2-O 2.84Å; H128-D157 PolarHBondContact CE1-O 3.45Å |
| 129 | I | 95.1 | Very high | 95.3 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 23% | 0.226 | 26% | 0.255 | C | S | . | . | trans | -65.6 | 135.1 | 176.6 | -63.1 | 173.4 | 0 | 0 | 0 | 109.6 | N95 T103 D126 | N95-I129 HydrophobicContact CB-CD1 3.79Å; T103-I129 HydrophobicContact CG2-CB 4.02Å; T103-I129 HydrophobicContact CG2-CD1 3.93Å; T103-I129 HydrophobicContact CG2-CG2 3.51Å; D126-I129 HydrophobicContact CB-CD1 3.78Å; D126-I129 HydrophobicContact CB-CG1 3.9Å | ||
| 130 | L | 96.6 | Very high | 95.4 | Very high | 63 Ų | 63 | 49 Ų | 49 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -109.6 | 143.8 | 175.1 | -54.1 | 178.8 | 0 | 0 | 0 | 110 | H128 R134 E135 I162 | H128-L130 PolarHBondContact O-N 2.91Å; L130-R134 HydrophobicContact CD1-CB 4.36Å; L130-E135 WeakPolarHBondContact CA-O 3.24Å; L130-I162 HydrophobicContact CD1-CD1 3.82Å; L130-I162 HydrophobicContact CD2-CD1 4.15Å; L130-I162 HydrophobicContact CD2-CG1 4.02Å |
| 131 | A | 95.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | trans | -71.1 | 178.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G101 F102 I106 E133 R134 E135 | G101-A131 WeakPolarHBondContact O-CA 3.41Å; F102-A131 HydrophobicContact CD2-CB 3.87Å; F102-A131 HydrophobicContact CE2-CB 3.87Å; F102-A131 HydrophobicContact CG-CB 4.31Å; F102-A131 HydrophobicContact CZ-CB 4.33Å; I106-A131 HydrophobicContact CD1-CB 4.4Å; A131-E133 VanDerWaalsContact C-N 3.27Å; A131-E133 PolarHBondContact O-N 3.45Å; A131-R134 WeakPolarHBondContact O-CA 3.39Å; A131-R134 PolarHBondContact O-N 3.1Å; A131-E135 HydrophobicContact CB-CB 4.1Å; A131-E135 PolarHBondContact N-O 3.47Å | ||
| 132 | K | 95.2 | Very high | 95.7 | Very high | 128 Ų | 128 | 48 Ų | 48 | 56% | 0.557 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -41 | -176.8 | -77.4 | -179 | 173.9 | 179.4 | 0 | 113 | E99 R100 R134 W165 | E99-K132 WeakPolarHBondContact O-CE 3.47Å; E99-K132 PolarHBondContact O-NZ 2.95Å; R100-K132 WeakPolarHBondContact O-CB 3.25Å; R100-K132 VanDerWaalsContact O-CG 3.32Å; R100-K132 WeakPolarHBondContact O-CG 3.5Å; R100-K132 PolarHBondContact O-N 3.4Å; K132-R134 PolarHBondContact O-N 2.97Å; K132-W165 WeakPolarHBondContact O-CH2 3.47Å; K132-W165 WeakPolarHBondContact O-CZ3 3.45Å |
| 133 | E | 94.6 | Very high | 95.8 | Very high | 86 Ų | 86 | 44.4 Ų | 44.4 | 40% | 0.402 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 17.2 | 179.7 | -52.5 | -59.6 | 121 | 0 | 0 | 113.1 | A131 E135 W165 | A131-E133 VanDerWaalsContact C-N 3.27Å; A131-E133 PolarHBondContact O-N 3.45Å; E133-E135 HydrophobicContact CB-CG 4.26Å; E133-E135 PolarHBondContact O-N 2.82Å; E133-W165 HydrophobicContact CB-CE3 4.29Å; E133-W165 PolarHBondContact O-N 3.47Å; E133-W165 VanDerWaalsContact OE2-CE3 3.28Å |
| 134 | R | 95.9 | Very high | 96.1 | Very high | 92 Ų | 92 | 38.6 Ų | 38.6 | 35% | 0.347 | 21% | 0.209 | S | C | . | . | trans | 63.2 | 18.8 | -173.7 | -58.5 | -177.5 | 69 | -158.3 | 0.9 | 115 | L130 A131 K132 S136 Y163 D164 W165 | L130-R134 HydrophobicContact CD1-CB 4.36Å; A131-R134 WeakPolarHBondContact O-CA 3.39Å; A131-R134 PolarHBondContact O-N 3.1Å; K132-R134 PolarHBondContact O-N 2.97Å; R134-S136 PolarHBondContact O-N 3Å; R134-Y163 PolarHBondContact NE-O 3.27Å; R134-Y163 PolarHBondContact NH1-O 3.44Å; R134-D164 HydrophobicContact CB-CB 4.35Å; R134-W165 VanDerWaalsContact CD-NE1 3.28Å; R134-W165 HydrophobicContact CG-CD2 4.45Å; R134-W165 HydrophobicContact CG-CZ2 4.39Å | ||
| 135 | E | 95.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 14% | 0.136 | 19% | 0.194 | C | C | . | . | trans | -64.5 | 132.1 | 172.7 | -59.4 | 163.4 | 99.4 | 0 | 0 | 109.8 | F102 L130 A131 E133 | F102-E135 WeakPolarHBondContact CE2-OE2 3.46Å; F102-E135 WeakPolarHBondContact CZ-OE2 3.4Å; L130-E135 WeakPolarHBondContact CA-O 3.24Å; A131-E135 HydrophobicContact CB-CB 4.1Å; A131-E135 PolarHBondContact N-O 3.47Å; E133-E135 HydrophobicContact CB-CG 4.26Å; E133-E135 PolarHBondContact O-N 2.82Å | ||
| 136 | S | 96.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -109 | 160.4 | 178 | 66.9 | 0 | 0 | 0 | 0 | 110.3 | R134 L138 S139 L140 I162 | R134-S136 PolarHBondContact O-N 3Å; S136-L138 PolarHBondContact O-N 2.99Å; S136-L138 PolarHBondContact OG-N 2.78Å; S136-S139 PolarHBondContact N-OG 2.98Å; S136-S139 PolarHBondContact O-N 2.89Å; S136-S139 PolarHBondContact O-OG 2.99Å; S136-S139 VanDerWaalsContact O-OG 3.08Å; S136-S139 PolarHBondContact OG-N 3.21Å; S136-S139 PolarHBondContact OG-OG 2.59Å; S136-L140 PolarHBondContact O-N 3.45Å; S136-I162 WeakPolarHBondContact OG-CG2 3.33Å |
| 137 | A | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55 | -36.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | L105 I106 S109 A141 L153 | L105-A137 HydrophobicContact CG-CB 4.3Å; I106-A137 HydrophobicContact CG1-CB 4.24Å; S109-A137 WeakPolarHBondContact CB-O 3.41Å; A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.48Å; A137-A141 PolarHBondContact O-N 2.88Å; A137-L153 HydrophobicContact CB-CD1 3.84Å; A137-L153 HydrophobicContact CB-CD2 4.04Å |
| 138 | L | 98 | Very high | 96.7 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -47.3 | 179.3 | -175.7 | 66.7 | 0 | 0 | 0 | 111.9 | S136 L140 A141 S142 V150 L153 L154 V158 I160 P170 L186 | S136-L138 PolarHBondContact O-N 2.99Å; S136-L138 PolarHBondContact OG-N 2.78Å; L138-L140 VanDerWaalsContact C-N 3.33Å; L138-L140 PolarHBondContact O-N 3.27Å; L138-A141 PolarHBondContact O-N 2.93Å; L138-S142 WeakPolarHBondContact O-CB 3.49Å; L138-S142 PolarHBondContact O-N 3.15Å; L138-S142 PolarHBondContact O-OG 2.61Å; L138-V150 HydrophobicContact CD1-CB 4.38Å; L138-V150 HydrophobicContact CD1-CG1 3.96Å; L138-V150 HydrophobicContact CD1-CG2 4.36Å; L138-L153 HydrophobicContact CB-CD1 4.34Å; L138-L153 HydrophobicContact CD1-CB 4.23Å; L138-L153 HydrophobicContact CD1-CD1 4.46Å; L138-L154 HydrophobicContact CD1-CD2 4.24Å; L138-L154 HydrophobicContact CD1-CG 4.19Å; L138-L154 HydrophobicContact CD2-CD2 4.09Å; L138-V158 HydrophobicContact CB-CG2 4.44Å; L138-V158 HydrophobicContact CD2-CG2 3.84Å; L138-I160 HydrophobicContact CD2-CG1 4.4Å; L138-P170 HydrophobicContact CB-CG 4.46Å; L138-P170 HydrophobicContact CD2-CB 4.04Å; L138-P170 HydrophobicContact CD2-CG 3.73Å; L138-P170 HydrophobicContact CG-CB 3.94Å; L138-P170 HydrophobicContact CG-CG 3.89Å; L138-L186 HydrophobicContact CD1-CD2 4.33Å; L138-L186 HydrophobicContact CD2-CD2 4.39Å |
| 139 | S | 96.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.3 | -37.6 | -178.8 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | S136 S142 T143 | S136-S139 PolarHBondContact N-OG 2.98Å; S136-S139 PolarHBondContact O-N 2.89Å; S136-S139 PolarHBondContact O-OG 2.99Å; S136-S139 VanDerWaalsContact O-OG 3.08Å; S136-S139 PolarHBondContact OG-N 3.21Å; S136-S139 PolarHBondContact OG-OG 2.59Å; S139-S142 PolarHBondContact O-N 3.46Å; S139-T143 PolarHBondContact O-N 2.92Å; S139-T143 PolarHBondContact O-OG1 3.48Å |
| 140 | L | 97.3 | Very high | 97 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.4 | -41.6 | 175.8 | -61.9 | -177.7 | 0 | 0 | 0 | 112.3 | F102 I106 A110 S136 L138 S142 T143 G144 | F102-L140 HydrophobicContact CD1-CD1 4.28Å; F102-L140 HydrophobicContact CE1-CD1 3.63Å; I106-L140 HydrophobicContact CG2-CD1 3.27Å; I106-L140 HydrophobicContact CG2-CG 4.45Å; A110-L140 HydrophobicContact CB-CB 4Å; A110-L140 HydrophobicContact CB-CD1 3.82Å; A110-L140 HydrophobicContact CB-CG 4.48Å; S136-L140 PolarHBondContact O-N 3.45Å; L138-L140 VanDerWaalsContact C-N 3.33Å; L138-L140 PolarHBondContact O-N 3.27Å; L140-S142 VanDerWaalsContact C-N 3.29Å; L140-S142 PolarHBondContact O-N 3.41Å; L140-T143 WeakPolarHBondContact O-CB 3.38Å; L140-T143 PolarHBondContact O-N 3.43Å; L140-G144 PolarHBondContact O-N 3.28Å |
| 141 | A | 98 | Very high | 97 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A137 L138 G144 G145 Y146 I149 V150 L153 | A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.48Å; A137-A141 PolarHBondContact O-N 2.88Å; L138-A141 PolarHBondContact O-N 2.93Å; A141-G144 PolarHBondContact O-N 3.38Å; A141-G145 PolarHBondContact O-N 2.95Å; A141-Y146 PolarHBondContact O-N 3.12Å; A141-I149 HydrophobicContact CB-CB 4.25Å; A141-I149 HydrophobicContact CB-CG2 3.64Å; A141-V150 HydrophobicContact CB-CG2 3.86Å; A141-L153 HydrophobicContact CB-CD1 4.23Å |
| 142 | S | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 175.2 | -67 | 0 | 0 | 0 | 0 | 112.7 | L138 S139 L140 G145 P170 H179 | L138-S142 WeakPolarHBondContact O-CB 3.49Å; L138-S142 PolarHBondContact O-N 3.15Å; L138-S142 PolarHBondContact O-OG 2.61Å; S139-S142 PolarHBondContact O-N 3.46Å; L140-S142 VanDerWaalsContact C-N 3.29Å; L140-S142 PolarHBondContact O-N 3.41Å; S142-G145 PolarHBondContact O-N 3.46Å; S142-P170 WeakPolarHBondContact CB-O 3.49Å; S142-H179 PolarHBondContact O-CD2 3.21Å; S142-H179 VanDerWaalsContact O-CD2 3.25Å |
| 143 | T | 97.3 | Very high | 97.2 | Very high | 60 Ų | 60 | 30.6 Ų | 30.6 | 37% | 0.368 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.7 | -43 | 174.2 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | S139 L140 G145 Y173 H179 | S139-T143 PolarHBondContact O-N 2.92Å; S139-T143 PolarHBondContact O-OG1 3.48Å; L140-T143 WeakPolarHBondContact O-CB 3.38Å; L140-T143 PolarHBondContact O-N 3.43Å; T143-G145 VanDerWaalsContact C-N 3.32Å; T143-Y173 WeakPolarHBondContact OG1-CB 3.47Å; T143-H179 PolarHBondContact O-NE2 2.9Å |
| 144 | G | 96 | Very high | 97.3 | Very high | 30 Ų | 30 | 26.9 Ų | 26.9 | 31% | 0.309 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -77 | -12.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | L140 A141 Y146 | L140-G144 PolarHBondContact O-N 3.28Å; A141-G144 PolarHBondContact O-N 3.38Å; G144-Y146 VanDerWaalsContact C-N 3.33Å |
| 145 | G | 97.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 28.2 Ų | 28.2 | 18% | 0.175 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 19.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A141 S142 T143 T147 H179 C182 | A141-G145 PolarHBondContact O-N 2.95Å; S142-G145 PolarHBondContact O-N 3.46Å; T143-G145 VanDerWaalsContact C-N 3.32Å; G145-T147 VanDerWaalsContact C-N 3.32Å; G145-T147 PolarHBondContact O-N 3.48Å; G145-H179 WeakPolarHBondContact CA-CD2 3.44Å; G145-H179 WeakPolarHBondContact CA-ND1 3.47Å; G145-H179 WeakPolarHBondContact CA-NE2 3.28Å; G145-H179 PolarHBondContact N-CD2 3.24Å; G145-H179 PolarHBondContact N-NE2 3.5Å; G145-C182 PolarHBondContact O-SG 3.32Å; G145-C182 VanDerWaalsContact O-SG 3.4Å |
| 146 | Y | 98.3 | Very high | 97.2 | Very high | 83 Ų | 83 | 31.4 Ų | 31.4 | 33% | 0.325 | 17% | 0.172 | S | C | . | . | trans | -79.8 | 77.2 | -176.8 | -53.3 | -57.1 | 0 | 0 | 0 | 111 | S109 F111 G112 A141 G144 D148 I149 V150 | S109-Y146 VanDerWaalsContact O-CD2 3.28Å; S109-Y146 WeakPolarHBondContact O-CD2 3.47Å; F111-Y146 PolarHBondContact O-OH 3.48Å; G112-Y146 VanDerWaalsContact CA-CE2 3.41Å; G112-Y146 VanDerWaalsContact CA-CZ 3.41Å; A141-Y146 PolarHBondContact O-N 3.12Å; G144-Y146 VanDerWaalsContact C-N 3.33Å; Y146-D148 VanDerWaalsContact C-N 3.26Å; Y146-D148 PolarHBondContact O-N 3.02Å; Y146-I149 HydrophobicContact CD2-CD1 4.43Å; Y146-I149 HydrophobicContact CG-CD1 4.2Å; Y146-I149 PolarHBondContact O-N 3.41Å; Y146-I149 VanDerWaalsContact O-N 3.07Å; Y146-V150 WeakPolarHBondContact O-CG2 3.39Å; Y146-V150 PolarHBondContact O-N 3.43Å | ||
| 147 | T | 97.9 | Very high | 97 | Very high | 39 Ų | 39 | 37.7 Ų | 37.7 | 24% | 0.239 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.8 | -39.3 | -172.9 | -50.4 | 0 | 0 | 0 | 0 | 113.2 | G145 V150 G151 K181 C182 A185 | G145-T147 VanDerWaalsContact C-N 3.32Å; G145-T147 PolarHBondContact O-N 3.48Å; T147-V150 WeakPolarHBondContact O-CB 3.4Å; T147-V150 PolarHBondContact O-N 3.07Å; T147-G151 PolarHBondContact O-N 3.23Å; T147-K181 HydrophobicContact CG2-CB 3.99Å; T147-K181 WeakPolarHBondContact OG1-CB 3.49Å; T147-C182 VanDerWaalsContact CA-SG 3.54Å; T147-C182 PolarHBondContact OG1-SG 2.95Å; T147-A185 HydrophobicContact CG2-CB 4.3Å |
| 148 | D | 97.8 | Very high | 96.9 | Very high | 116 Ų | 116 | 38.4 Ų | 38.4 | 62% | 0.62 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -68.8 | -38.2 | -178.8 | -59.8 | -25.6 | 0 | 0 | 0 | 111.5 | I114 Y146 G151 L152 | I114-D148 HydrophobicContact CD1-CB 3.47Å; I114-D148 VanDerWaalsContact CD1-CB 3.47Å; Y146-D148 VanDerWaalsContact C-N 3.26Å; Y146-D148 PolarHBondContact O-N 3.02Å; D148-G151 PolarHBondContact O-N 2.93Å; D148-L152 WeakPolarHBondContact O-CG 3.38Å; D148-L152 PolarHBondContact O-N 3.14Å |
| 149 | I | 98.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | 174.3 | -64.8 | 177.3 | 0 | 0 | 0 | 110.2 | I114 V117 A141 Y146 G151 L152 L153 | I114-I149 HydrophobicContact CB-CD1 4.45Å; I114-I149 HydrophobicContact CB-CG1 4.14Å; I114-I149 HydrophobicContact CG1-CG1 4.22Å; V117-I149 HydrophobicContact CG1-CG2 4.21Å; V117-I149 HydrophobicContact CG2-CD1 4.09Å; V117-I149 HydrophobicContact CG2-CG1 4.35Å; V117-I149 HydrophobicContact CG2-CG2 4.14Å; A141-I149 HydrophobicContact CB-CB 4.25Å; A141-I149 HydrophobicContact CB-CG2 3.64Å; Y146-I149 HydrophobicContact CD2-CD1 4.43Å; Y146-I149 HydrophobicContact CG-CD1 4.2Å; Y146-I149 PolarHBondContact O-N 3.41Å; Y146-I149 VanDerWaalsContact O-N 3.07Å; I149-G151 VanDerWaalsContact C-N 3.27Å; I149-G151 PolarHBondContact O-N 3Å; I149-L152 PolarHBondContact O-N 3.33Å; I149-L153 HydrophobicContact CG2-CD1 3.87Å; I149-L153 HydrophobicContact CG2-CG 4.32Å; I149-L153 VanDerWaalsContact O-CG 3.32Å; I149-L153 WeakPolarHBondContact O-CG 3.41Å; I149-L153 PolarHBondContact O-N 2.91Å |
| 150 | V | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.6 | -45.3 | 173.1 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | L138 A141 Y146 T147 L153 L154 A185 L186 | L138-V150 HydrophobicContact CD1-CB 4.38Å; L138-V150 HydrophobicContact CD1-CG1 3.96Å; L138-V150 HydrophobicContact CD1-CG2 4.36Å; A141-V150 HydrophobicContact CB-CG2 3.86Å; Y146-V150 WeakPolarHBondContact O-CG2 3.39Å; Y146-V150 PolarHBondContact O-N 3.43Å; T147-V150 WeakPolarHBondContact O-CB 3.4Å; T147-V150 PolarHBondContact O-N 3.07Å; V150-L153 PolarHBondContact O-N 3.13Å; V150-L154 HydrophobicContact CG1-CD1 3.61Å; V150-L154 HydrophobicContact CG1-CG 4.29Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 WeakPolarHBondContact O-CD1 3.3Å; V150-L154 WeakPolarHBondContact O-CG 3.38Å; V150-L154 PolarHBondContact O-N 2.91Å; V150-A185 HydrophobicContact CG1-CB 4.47Å; V150-L186 HydrophobicContact CG1-CD2 4.08Å; V150-L186 HydrophobicContact CG1-CG 4.23Å |
| 151 | G | 97.3 | Very high | 96.7 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.8 | -50.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | T147 D148 I149 L153 L154 E155 | T147-G151 PolarHBondContact O-N 3.23Å; D148-G151 PolarHBondContact O-N 2.93Å; I149-G151 VanDerWaalsContact C-N 3.27Å; I149-G151 PolarHBondContact O-N 3Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 3.35Å; G151-L154 PolarHBondContact O-N 3.47Å; G151-E155 WeakPolarHBondContact O-CG 3.4Å; G151-E155 PolarHBondContact O-N 3.12Å |
| 152 | L | 96.9 | Very high | 96.6 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 12% | 0.12 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 178.7 | -70.5 | 173.3 | 0 | 0 | 0 | 112.7 | I114 V117 L121 D148 I149 E155 | I114-L152 HydrophobicContact CG1-CD1 4.11Å; V117-L152 HydrophobicContact CG1-CD1 4.36Å; L121-L152 HydrophobicContact CD1-CB 4.21Å; D148-L152 WeakPolarHBondContact O-CG 3.38Å; D148-L152 PolarHBondContact O-N 3.14Å; I149-L152 PolarHBondContact O-N 3.33Å; L152-E155 PolarHBondContact O-N 2.93Å |
| 153 | L | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 178.4 | -67.7 | 171.5 | 0 | 0 | 0 | 111.2 | L105 L121 P127 A137 L138 A141 I149 V150 G151 E155 R156 V158 | L105-L153 HydrophobicContact CD2-CD2 4.4Å; L121-L153 HydrophobicContact CD1-CD2 4.44Å; P127-L153 HydrophobicContact CB-CD2 4.02Å; A137-L153 HydrophobicContact CB-CD1 3.84Å; A137-L153 HydrophobicContact CB-CD2 4.04Å; L138-L153 HydrophobicContact CB-CD1 4.34Å; L138-L153 HydrophobicContact CD1-CB 4.23Å; L138-L153 HydrophobicContact CD1-CD1 4.46Å; A141-L153 HydrophobicContact CB-CD1 4.23Å; I149-L153 HydrophobicContact CG2-CD1 3.87Å; I149-L153 HydrophobicContact CG2-CG 4.32Å; I149-L153 VanDerWaalsContact O-CG 3.32Å; I149-L153 WeakPolarHBondContact O-CG 3.41Å; I149-L153 PolarHBondContact O-N 2.91Å; V150-L153 PolarHBondContact O-N 3.13Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 3.35Å; L153-E155 PolarHBondContact O-N 3.4Å; L153-R156 WeakPolarHBondContact O-CB 3.49Å; L153-R156 PolarHBondContact O-N 3.31Å; L153-V158 HydrophobicContact CB-CG2 4.39Å; L153-V158 WeakPolarHBondContact O-CG2 3.35Å |
| 154 | L | 96.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -25 | 177 | -69.2 | 170.3 | 0 | 0 | 0 | 112.9 | L138 V150 G151 R156 D157 V158 I160 L186 R189 | L138-L154 HydrophobicContact CD1-CD2 4.24Å; L138-L154 HydrophobicContact CD1-CG 4.19Å; L138-L154 HydrophobicContact CD2-CD2 4.09Å; V150-L154 HydrophobicContact CG1-CD1 3.61Å; V150-L154 HydrophobicContact CG1-CG 4.29Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 WeakPolarHBondContact O-CD1 3.3Å; V150-L154 WeakPolarHBondContact O-CG 3.38Å; V150-L154 PolarHBondContact O-N 2.91Å; G151-L154 PolarHBondContact O-N 3.47Å; L154-R156 PolarHBondContact O-N 3.13Å; L154-D157 PolarHBondContact O-N 3.2Å; L154-V158 HydrophobicContact CD2-CG2 4.26Å; L154-I160 HydrophobicContact CD2-CB 4.26Å; L154-I160 HydrophobicContact CD2-CD1 3.65Å; L154-I160 HydrophobicContact CD2-CG1 3.84Å; L154-L186 HydrophobicContact CD1-CD2 4.19Å; L154-L186 HydrophobicContact CD2-CD2 4.44Å; L154-R189 HydrophobicContact CB-CG 4.28Å; L154-R189 HydrophobicContact CD1-CB 4.35Å; L154-R189 HydrophobicContact CD1-CG 3.91Å; L154-R189 HydrophobicContact CD2-CB 4.45Å; L154-R189 HydrophobicContact CG-CG 4.48Å; L154-R189 PolarHBondContact O-NH1 3.42Å |
| 155 | E | 95.9 | Very high | 96.2 | Very high | 120 Ų | 120 | 51.5 Ų | 51.5 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -13.1 | 170.4 | -72.5 | 171.4 | -172.8 | 0 | 0 | 113.7 | G151 L152 L153 | G151-E155 WeakPolarHBondContact O-CG 3.4Å; G151-E155 PolarHBondContact O-N 3.12Å; L152-E155 PolarHBondContact O-N 2.93Å; L153-E155 PolarHBondContact O-N 3.4Å |
| 156 | R | 94.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 55.5 Ų | 55.5 | 37% | 0.366 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 21 | 178.8 | -53.5 | -58 | -178.5 | 96.4 | -3.9 | 113.3 | L121 P127 H128 L153 L154 V158 | L121-R156 HydrophobicContact CD2-CG 4.36Å; L121-R156 PolarHBondContact O-NH1 3.4Å; L121-R156 PolarHBondContact O-NH2 3.45Å; P127-R156 HydrophobicContact CG-CB 3.73Å; P127-R156 HydrophobicContact CG-CG 4.3Å; H128-R156 PolarHBondContact CE1-O 3.13Å; H128-R156 PolarHBondContact NE2-O 2.84Å; L153-R156 WeakPolarHBondContact O-CB 3.49Å; L153-R156 PolarHBondContact O-N 3.31Å; L154-R156 PolarHBondContact O-N 3.13Å; R156-V158 PolarHBondContact O-N 2.93Å; R156-V158 VanDerWaalsContact O-N 3.1Å |
| 157 | D | 92.4 | Very high | 95.4 | Very high | 139 Ų | 139 | 51.6 Ų | 51.6 | 74% | 0.743 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 34.1 | 176.5 | -59.7 | -43.1 | 0 | 0 | 0 | 114.1 | H128 L154 | H128-D157 PolarHBondContact CE1-O 3.45Å; L154-D157 PolarHBondContact O-N 3.2Å |
| 158 | V | 95.4 | Very high | 95.2 | Very high | 15 Ų | 15 | 50 Ų | 50 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | trans | -62.4 | 152.2 | 173.3 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | P127 L138 L153 L154 R156 I160 | P127-V158 HydrophobicContact CB-CG1 3.65Å; P127-V158 HydrophobicContact CG-CG1 3.87Å; L138-V158 HydrophobicContact CB-CG2 4.44Å; L138-V158 HydrophobicContact CD2-CG2 3.84Å; L153-V158 HydrophobicContact CB-CG2 4.39Å; L153-V158 WeakPolarHBondContact O-CG2 3.35Å; L154-V158 HydrophobicContact CD2-CG2 4.26Å; R156-V158 PolarHBondContact O-N 2.93Å; R156-V158 VanDerWaalsContact O-N 3.1Å; V158-I160 PolarHBondContact O-N 2.9Å | ||
| 159 | D | 96 | Very high | 95.1 | Very high | 91 Ų | 91 | 44.5 Ų | 44.5 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | trans | -65.5 | 106.9 | 174.4 | -176.8 | 4.9 | 0 | 0 | 0 | 110.3 | N161 I162 | D159-N161 VanDerWaalsContact C-N 3.26Å; D159-N161 PolarHBondContact O-N 3.32Å; D159-N161 PolarHBondContact OD1-N 3.29Å; D159-I162 HydrophobicContact CB-CB 4.33Å; D159-I162 WeakPolarHBondContact O-CG2 3.2Å; D159-I162 PolarHBondContact O-N 3.25Å; D159-I162 PolarHBondContact OD1-N 3.32Å | ||
| 160 | I | 96.5 | Very high | 95.1 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -24.2 | -178.7 | -162.3 | 167.3 | 0 | 0 | 0 | 112.8 | L138 L154 V158 P170 L186 R189 A191 | L138-I160 HydrophobicContact CD2-CG1 4.4Å; L154-I160 HydrophobicContact CD2-CB 4.26Å; L154-I160 HydrophobicContact CD2-CD1 3.65Å; L154-I160 HydrophobicContact CD2-CG1 3.84Å; V158-I160 PolarHBondContact O-N 2.9Å; I160-P170 WeakPolarHBondContact O-CG 3.36Å; I160-L186 HydrophobicContact CD1-CB 4.44Å; I160-L186 HydrophobicContact CD1-CD2 3.98Å; I160-L186 VanDerWaalsContact CD1-O 3.24Å; I160-L186 WeakPolarHBondContact CD1-O 3.33Å; I160-L186 HydrophobicContact CG1-CD2 3.75Å; I160-R189 HydrophobicContact CD1-CB 3.58Å; I160-A191 HydrophobicContact CD1-CB 3.84Å; I160-A191 HydrophobicContact CG1-CB 3.97Å |
| 161 | N | 95.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 22.9 | -177.8 | -61.7 | -44.4 | 0 | 0 | 0 | 111.4 | D159 Y163 D192 | D159-N161 VanDerWaalsContact C-N 3.26Å; D159-N161 PolarHBondContact O-N 3.32Å; D159-N161 PolarHBondContact OD1-N 3.29Å; N161-Y163 PolarHBondContact O-N 2.95Å; N161-D192 WeakPolarHBondContact OD1-CB 3.46Å; N161-D192 PolarHBondContact OD1-N 2.98Å |
| 162 | I | 95.3 | Very high | 95.1 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | trans | -56 | 128.6 | 177.5 | -173.8 | 61.5 | 0 | 0 | 0 | 110.1 | L130 S136 D159 T169 P170 | L130-I162 HydrophobicContact CD1-CD1 3.82Å; L130-I162 HydrophobicContact CD2-CD1 4.15Å; L130-I162 HydrophobicContact CD2-CG1 4.02Å; S136-I162 WeakPolarHBondContact OG-CG2 3.33Å; D159-I162 HydrophobicContact CB-CB 4.33Å; D159-I162 WeakPolarHBondContact O-CG2 3.2Å; D159-I162 PolarHBondContact O-N 3.25Å; D159-I162 PolarHBondContact OD1-N 3.32Å; I162-T169 WeakPolarHBondContact O-CA 3.43Å; I162-P170 HydrophobicContact CG2-CG 3.62Å; I162-P170 VanDerWaalsContact O-CD 3.28Å; I162-P170 WeakPolarHBondContact O-CD 3.49Å | ||
| 163 | Y | 94.6 | Very high | 95.1 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 24% | 0.243 | 21% | 0.205 | C | C | . | . | trans | -107.2 | 120.8 | 179.5 | -160.4 | -93.3 | 0 | 0 | 0 | 109.6 | R134 N161 G167 G168 T169 T195 E196 D198 | R134-Y163 PolarHBondContact NE-O 3.27Å; R134-Y163 PolarHBondContact NH1-O 3.44Å; N161-Y163 PolarHBondContact O-N 2.95Å; Y163-G167 VanDerWaalsContact CZ-CA 3.46Å; Y163-G167 VanDerWaalsContact OH-CA 3.27Å; Y163-G167 WeakPolarHBondContact OH-CA 3.46Å; Y163-G167 PolarHBondContact OH-O 2.86Å; Y163-G168 WeakPolarHBondContact CA-O 3.45Å; Y163-T169 HydrophobicContact CD2-CG2 3.76Å; Y163-T169 HydrophobicContact CE2-CG2 4.4Å; Y163-T195 HydrophobicContact CD2-CG2 3.97Å; Y163-T195 HydrophobicContact CE2-CG2 3.98Å; Y163-E196 WeakPolarHBondContact CE2-O 3.49Å; Y163-E196 PolarHBondContact OH-O 2.95Å; Y163-D198 PolarHBondContact OH-N 2.81Å; Y163-D198 VanDerWaalsContact OH-N 3.16Å; Y163-D198 PolarHBondContact OH-OD1 3.08Å | ||
| 164 | D | 94.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | trans | -91.6 | 172.8 | 178.1 | 67 | 24.2 | 0 | 0 | 0 | 113 | R134 N166 G167 G168 Y173 | R134-D164 HydrophobicContact CB-CB 4.35Å; D164-N166 PolarHBondContact O-N 3.4Å; D164-N166 WeakPolarHBondContact OD1-CA 3.46Å; D164-N166 WeakPolarHBondContact OD1-CB 3.36Å; D164-N166 PolarHBondContact OD1-N 3.24Å; D164-G167 PolarHBondContact O-N 3.29Å; D164-G167 PolarHBondContact OD1-N 2.91Å; D164-G167 VanDerWaalsContact OD1-N 3.16Å; D164-G168 PolarHBondContact N-O 3.38Å; D164-G168 PolarHBondContact OD1-N 3.03Å; D164-Y173 PolarHBondContact OD1-OH 3.02Å; D164-Y173 VanDerWaalsContact OD1-OH 3.11Å; D164-Y173 WeakPolarHBondContact OD2-CE2 3.49Å; D164-Y173 PolarHBondContact OD2-OH 3.29Å | ||
| 165 | W | 94.1 | Very high | 95.2 | Very high | 154 Ų | 154 | 42.8 Ų | 42.8 | 58% | 0.583 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -5.6 | 178.3 | -68.9 | -15.4 | 0 | 0 | 0 | 113.9 | K132 E133 R134 | K132-W165 WeakPolarHBondContact O-CH2 3.47Å; K132-W165 WeakPolarHBondContact O-CZ3 3.45Å; E133-W165 HydrophobicContact CB-CE3 4.29Å; E133-W165 PolarHBondContact O-N 3.47Å; E133-W165 VanDerWaalsContact OE2-CE3 3.28Å; R134-W165 VanDerWaalsContact CD-NE1 3.28Å; R134-W165 HydrophobicContact CG-CD2 4.45Å; R134-W165 HydrophobicContact CG-CZ2 4.39Å |
| 166 | N | 89.8 | Confident | 95.2 | Very high | 101 Ų | 101 | 43.6 Ų | 43.6 | 54% | 0.54 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 4.3 | 170.1 | -67.6 | 96 | 0 | 0 | 0 | 112.3 | D164 | D164-N166 PolarHBondContact O-N 3.4Å; D164-N166 WeakPolarHBondContact OD1-CA 3.46Å; D164-N166 WeakPolarHBondContact OD1-CB 3.36Å; D164-N166 PolarHBondContact OD1-N 3.24Å |
| 167 | G | 89.3 | Confident | 95.3 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 76.5 | 26 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y163 D164 A197 D198 | Y163-G167 VanDerWaalsContact CZ-CA 3.46Å; Y163-G167 VanDerWaalsContact OH-CA 3.27Å; Y163-G167 WeakPolarHBondContact OH-CA 3.46Å; Y163-G167 PolarHBondContact OH-O 2.86Å; D164-G167 PolarHBondContact O-N 3.29Å; D164-G167 PolarHBondContact OD1-N 2.91Å; D164-G167 VanDerWaalsContact OD1-N 3.16Å; G167-A197 WeakPolarHBondContact O-CA 3.46Å; G167-A197 WeakPolarHBondContact O-CB 3.3Å; G167-D198 WeakPolarHBondContact CA-OD1 3.28Å; G167-D198 VanDerWaalsContact CA-OD2 3.24Å; G167-D198 WeakPolarHBondContact CA-OD2 3.36Å; G167-D198 PolarHBondContact N-OD2 3.21Å; G167-D198 PolarHBondContact O-N 3.37Å |
| 168 | G | 93.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | trans | -117.6 | 149.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y163 D164 | Y163-G168 WeakPolarHBondContact CA-O 3.45Å; D164-G168 PolarHBondContact N-O 3.38Å; D164-G168 PolarHBondContact OD1-N 3.03Å | ||
| 169 | T | 96.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | trans | -111.4 | 159.6 | 163.9 | 64.8 | 0 | 0 | 0 | 0 | 109.9 | I162 Y163 L171 L172 Y173 T195 | I162-T169 WeakPolarHBondContact O-CA 3.43Å; Y163-T169 HydrophobicContact CD2-CG2 3.76Å; Y163-T169 HydrophobicContact CE2-CG2 4.4Å; T169-L171 PolarHBondContact O-N 3.41Å; T169-L171 VanDerWaalsContact O-N 3.12Å; T169-L172 HydrophobicContact CG2-CD1 4.22Å; T169-L172 WeakPolarHBondContact O-CB 3.29Å; T169-L172 PolarHBondContact O-N 3.27Å; T169-L172 WeakPolarHBondContact OG1-CD1 3.29Å; T169-L172 WeakPolarHBondContact OG1-CG 3.39Å; T169-L172 PolarHBondContact OG1-N 3.16Å; T169-Y173 WeakPolarHBondContact O-CD2 3.27Å; T169-Y173 PolarHBondContact O-N 2.95Å; T169-T195 HydrophobicContact CG2-CG2 3.74Å | ||
| 170 | P | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -50.1 | -37.9 | 173.4 | -29 | 34.8 | 0 | 0 | 0 | 113.3 | L138 S142 I160 I162 Y173 A174 L186 | L138-P170 HydrophobicContact CB-CG 4.46Å; L138-P170 HydrophobicContact CD2-CB 4.04Å; L138-P170 HydrophobicContact CD2-CG 3.73Å; L138-P170 HydrophobicContact CG-CB 3.94Å; L138-P170 HydrophobicContact CG-CG 3.89Å; S142-P170 WeakPolarHBondContact CB-O 3.49Å; I160-P170 WeakPolarHBondContact O-CG 3.36Å; I162-P170 HydrophobicContact CG2-CG 3.62Å; I162-P170 VanDerWaalsContact O-CD 3.28Å; I162-P170 WeakPolarHBondContact O-CD 3.49Å; P170-Y173 PolarHBondContact O-N 2.9Å; P170-A174 WeakPolarHBondContact O-CB 3.42Å; P170-A174 PolarHBondContact O-N 3.25Å; P170-L186 HydrophobicContact CB-CD1 4.24Å; P170-L186 HydrophobicContact CB-CD2 4.15Å |
| 171 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.6 | -46.2 | 177.2 | -174.1 | 61.7 | 0 | 0 | 0 | 112.1 | T169 Y173 A174 V175 V183 L186 L187 A191 D192 L193 P203 | T169-L171 PolarHBondContact O-N 3.41Å; T169-L171 VanDerWaalsContact O-N 3.12Å; L171-Y173 VanDerWaalsContact C-N 3.27Å; L171-Y173 PolarHBondContact O-N 3.46Å; L171-A174 PolarHBondContact O-N 2.89Å; L171-V175 WeakPolarHBondContact O-CG2 3.42Å; L171-V175 PolarHBondContact O-N 3.35Å; L171-V183 HydrophobicContact CD1-CB 4.44Å; L171-V183 HydrophobicContact CD1-CG1 4.02Å; L171-V183 HydrophobicContact CD1-CG2 4.43Å; L171-L186 HydrophobicContact CB-CD1 4.35Å; L171-L186 HydrophobicContact CD1-CB 4.13Å; L171-L186 HydrophobicContact CD1-CD1 4.2Å; L171-L187 HydrophobicContact CD1-CD2 4.29Å; L171-L187 HydrophobicContact CD1-CG 4.25Å; L171-L187 HydrophobicContact CD2-CD2 3.86Å; L171-A191 HydrophobicContact CB-CB 4.35Å; L171-A191 HydrophobicContact CD2-CB 4.04Å; L171-D192 WeakPolarHBondContact CD2-O 3.47Å; L171-L193 HydrophobicContact CD2-CD2 3.84Å; L171-L193 HydrophobicContact CD2-CG 4.38Å; L171-P203 HydrophobicContact CD2-CB 4.09Å; L171-P203 HydrophobicContact CD2-CG 3.89Å; L171-P203 HydrophobicContact CG-CB 4.21Å; L171-P203 HydrophobicContact CG-CG 4.18Å |
| 172 | L | 97.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -41 | 175.6 | -75.8 | 164.3 | 0 | 0 | 0 | 111.5 | T169 V175 R176 A197 P203 L206 | T169-L172 HydrophobicContact CG2-CD1 4.22Å; T169-L172 WeakPolarHBondContact O-CB 3.29Å; T169-L172 PolarHBondContact O-N 3.27Å; T169-L172 WeakPolarHBondContact OG1-CD1 3.29Å; T169-L172 WeakPolarHBondContact OG1-CG 3.39Å; T169-L172 PolarHBondContact OG1-N 3.16Å; L172-V175 PolarHBondContact O-N 2.94Å; L172-R176 WeakPolarHBondContact O-CB 3.29Å; L172-R176 PolarHBondContact O-N 3.47Å; L172-A197 HydrophobicContact CD1-CB 3.76Å; L172-A197 HydrophobicContact CD2-CB 4.2Å; L172-P203 HydrophobicContact CD2-CB 4.48Å; L172-P203 HydrophobicContact CD2-CG 3.94Å; L172-P203 HydrophobicContact CG-CG 4.21Å; L172-L206 HydrophobicContact CD2-CD2 4.24Å |
| 173 | Y | 97.3 | Very high | 96 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 176.3 | -69.8 | -54.1 | 0 | 0 | 0 | 113.4 | T143 D164 T169 P170 L171 V175 R176 G177 | T143-Y173 WeakPolarHBondContact OG1-CB 3.47Å; D164-Y173 PolarHBondContact OD1-OH 3.02Å; D164-Y173 VanDerWaalsContact OD1-OH 3.11Å; D164-Y173 WeakPolarHBondContact OD2-CE2 3.49Å; D164-Y173 PolarHBondContact OD2-OH 3.29Å; T169-Y173 WeakPolarHBondContact O-CD2 3.27Å; T169-Y173 PolarHBondContact O-N 2.95Å; P170-Y173 PolarHBondContact O-N 2.9Å; L171-Y173 VanDerWaalsContact C-N 3.27Å; L171-Y173 PolarHBondContact O-N 3.46Å; Y173-V175 VanDerWaalsContact C-N 3.3Å; Y173-V175 PolarHBondContact O-N 3.35Å; Y173-R176 PolarHBondContact O-N 2.95Å; Y173-G177 PolarHBondContact O-N 3.23Å |
| 174 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P170 L171 N178 H179 C182 V183 L186 | P170-A174 WeakPolarHBondContact O-CB 3.42Å; P170-A174 PolarHBondContact O-N 3.25Å; L171-A174 PolarHBondContact O-N 2.89Å; A174-N178 PolarHBondContact O-N 3.46Å; A174-H179 PolarHBondContact O-N 2.96Å; A174-C182 HydrophobicContact CB-CB 3.91Å; A174-V183 HydrophobicContact CB-CG2 3.78Å; A174-L186 HydrophobicContact CB-CD1 3.93Å |
| 175 | V | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -48.3 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L171 L172 Y173 G177 N178 V183 P203 L206 A207 Y212 V215 I219 | L171-V175 WeakPolarHBondContact O-CG2 3.42Å; L171-V175 PolarHBondContact O-N 3.35Å; L172-V175 PolarHBondContact O-N 2.94Å; Y173-V175 VanDerWaalsContact C-N 3.3Å; Y173-V175 PolarHBondContact O-N 3.35Å; V175-G177 PolarHBondContact O-N 3.48Å; V175-N178 PolarHBondContact O-N 2.99Å; V175-V183 HydrophobicContact CG2-CG2 3.93Å; V175-P203 HydrophobicContact CG2-CB 4.2Å; V175-L206 HydrophobicContact CB-CD2 4.41Å; V175-L206 HydrophobicContact CG1-CB 4.09Å; V175-L206 HydrophobicContact CG1-CD2 4.04Å; V175-L206 HydrophobicContact CG1-CG 4.07Å; V175-A207 HydrophobicContact CG1-CB 3.84Å; V175-Y212 VanDerWaalsContact O-CD2 3.29Å; V175-Y212 WeakPolarHBondContact O-CD2 3.33Å; V175-Y212 VanDerWaalsContact O-CE2 3.3Å; V175-Y212 WeakPolarHBondContact O-CE2 3.11Å; V175-V215 HydrophobicContact CB-CG1 4.37Å; V175-V215 HydrophobicContact CG1-CG1 4.13Å; V175-V215 HydrophobicContact CG2-CG1 3.84Å; V175-I219 HydrophobicContact CG2-CD1 4.26Å |
| 176 | R | 95.9 | Very high | 96.4 | Very high | 137 Ų | 137 | 34.7 Ų | 34.7 | 52% | 0.517 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.2 | -35 | -180 | -164.6 | 168.8 | 71.3 | -169.2 | 6.8 | 112.3 | L172 Y173 N178 L206 | L172-R176 WeakPolarHBondContact O-CB 3.29Å; L172-R176 PolarHBondContact O-N 3.47Å; Y173-R176 PolarHBondContact O-N 2.95Å; R176-N178 VanDerWaalsContact C-N 3.34Å; R176-L206 HydrophobicContact CB-CD2 4.02Å |
| 177 | G | 95.9 | Very high | 96.7 | Very high | 34 Ų | 34 | 30 Ų | 30 | 35% | 0.351 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y173 V175 H179 | Y173-G177 PolarHBondContact O-N 3.23Å; V175-G177 PolarHBondContact O-N 3.48Å; G177-H179 PolarHBondContact O-CE1 3.05Å; G177-H179 PolarHBondContact O-N 3.27Å; G177-H179 PolarHBondContact O-ND1 3Å |
| 178 | N | 97.6 | Very high | 96.9 | Very high | 69 Ų | 69 | 33.9 Ų | 33.9 | 37% | 0.369 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 32.9 | -173.5 | -166.5 | 26 | 0 | 0 | 0 | 113.6 | A174 V175 R176 V180 Y212 V215 | A174-N178 PolarHBondContact O-N 3.46Å; V175-N178 PolarHBondContact O-N 2.99Å; R176-N178 VanDerWaalsContact C-N 3.34Å; N178-V180 PolarHBondContact O-N 2.89Å; N178-Y212 HydrophobicContact CB-CD1 4.24Å; N178-Y212 HydrophobicContact CB-CD2 3.78Å; N178-Y212 HydrophobicContact CB-CE1 4.15Å; N178-Y212 HydrophobicContact CB-CE2 3.65Å; N178-Y212 HydrophobicContact CB-CG 4.08Å; N178-V215 WeakPolarHBondContact OD1-CG2 3.39Å |
| 179 | H | 98 | Very high | 97 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | trans | -87.1 | 73.3 | -175.3 | -61 | -52.4 | 0 | 0 | 0 | 111.2 | S142 T143 G145 A174 G177 K181 C182 V183 | S142-H179 PolarHBondContact O-CD2 3.21Å; S142-H179 VanDerWaalsContact O-CD2 3.25Å; T143-H179 PolarHBondContact O-NE2 2.9Å; G145-H179 WeakPolarHBondContact CA-CD2 3.44Å; G145-H179 WeakPolarHBondContact CA-ND1 3.47Å; G145-H179 WeakPolarHBondContact CA-NE2 3.28Å; G145-H179 PolarHBondContact N-CD2 3.24Å; G145-H179 PolarHBondContact N-NE2 3.5Å; A174-H179 PolarHBondContact O-N 2.96Å; G177-H179 PolarHBondContact O-CE1 3.05Å; G177-H179 PolarHBondContact O-N 3.27Å; G177-H179 PolarHBondContact O-ND1 3Å; H179-K181 VanDerWaalsContact C-N 3.28Å; H179-K181 PolarHBondContact O-N 3.09Å; H179-K181 VanDerWaalsContact O-N 3.15Å; H179-C182 HydrophobicContact CB-CB 3.87Å; H179-C182 WeakPolarHBondContact O-CA 3.41Å; H179-C182 WeakPolarHBondContact O-CB 3.27Å; H179-C182 PolarHBondContact O-N 3.32Å; H179-V183 PolarHBondContact O-N 3.48Å | ||
| 180 | V | 97.7 | Very high | 96.8 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -48.3 | -46.6 | -173.4 | -176.7 | 0 | 0 | 0 | 0 | 112.9 | N178 C182 V183 E184 K214 V215 V218 | N178-V180 PolarHBondContact O-N 2.89Å; V180-C182 PolarHBondContact O-N 3.35Å; V180-V183 WeakPolarHBondContact O-CB 3.35Å; V180-V183 PolarHBondContact O-N 3.01Å; V180-E184 WeakPolarHBondContact O-CG 3.3Å; V180-E184 PolarHBondContact O-N 3.15Å; V180-K214 HydrophobicContact CG2-CB 3.76Å; V180-K214 HydrophobicContact CG2-CD 4.48Å; V180-V215 HydrophobicContact CG2-CG2 3.86Å; V180-V218 HydrophobicContact CG1-CG2 3.76Å |
| 181 | K | 97.6 | Very high | 96.7 | Very high | 150 Ų | 150 | 42 Ų | 42 | 65% | 0.652 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -67.1 | -36.1 | -179.9 | -68.3 | -174.7 | 176.1 | -176.7 | 0 | 113.2 | T147 H179 E184 A185 | T147-K181 HydrophobicContact CG2-CB 3.99Å; T147-K181 WeakPolarHBondContact OG1-CB 3.49Å; H179-K181 VanDerWaalsContact C-N 3.28Å; H179-K181 PolarHBondContact O-N 3.09Å; H179-K181 VanDerWaalsContact O-N 3.15Å; K181-E184 PolarHBondContact O-N 3.29Å; K181-A185 WeakPolarHBondContact O-CB 3.42Å; K181-A185 PolarHBondContact O-N 3.03Å |
| 182 | C | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -41 | 173.9 | -69.9 | 0 | 0 | 0 | 0 | 111.2 | G145 T147 A174 H179 V180 E184 A185 L186 | G145-C182 PolarHBondContact O-SG 3.32Å; G145-C182 VanDerWaalsContact O-SG 3.4Å; T147-C182 VanDerWaalsContact CA-SG 3.54Å; T147-C182 PolarHBondContact OG1-SG 2.95Å; A174-C182 HydrophobicContact CB-CB 3.91Å; H179-C182 HydrophobicContact CB-CB 3.87Å; H179-C182 WeakPolarHBondContact O-CA 3.41Å; H179-C182 WeakPolarHBondContact O-CB 3.27Å; H179-C182 PolarHBondContact O-N 3.32Å; V180-C182 PolarHBondContact O-N 3.35Å; C182-E184 VanDerWaalsContact C-N 3.35Å; C182-A185 PolarHBondContact O-N 3.38Å; C182-L186 WeakPolarHBondContact O-CB 3.5Å; C182-L186 VanDerWaalsContact O-CG 3.3Å; C182-L186 WeakPolarHBondContact O-CG 3.12Å; C182-L186 PolarHBondContact O-N 3.33Å |
| 183 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 174.8 | 174 | 0 | 0 | 0 | 0 | 110.2 | L171 A174 V175 H179 V180 A185 L186 L187 V215 V218 I219 | L171-V183 HydrophobicContact CD1-CB 4.44Å; L171-V183 HydrophobicContact CD1-CG1 4.02Å; L171-V183 HydrophobicContact CD1-CG2 4.43Å; A174-V183 HydrophobicContact CB-CG2 3.78Å; V175-V183 HydrophobicContact CG2-CG2 3.93Å; H179-V183 PolarHBondContact O-N 3.48Å; V180-V183 WeakPolarHBondContact O-CB 3.35Å; V180-V183 PolarHBondContact O-N 3.01Å; V183-A185 PolarHBondContact O-N 2.99Å; V183-L186 PolarHBondContact O-N 3Å; V183-L187 HydrophobicContact CG1-CD1 3.73Å; V183-L187 HydrophobicContact CG1-CG 4.31Å; V183-L187 WeakPolarHBondContact O-CB 3.5Å; V183-L187 VanDerWaalsContact O-CG 3.24Å; V183-L187 WeakPolarHBondContact O-CG 3.16Å; V183-L187 PolarHBondContact O-N 3.2Å; V183-V215 HydrophobicContact CG1-CG1 4.32Å; V183-V215 HydrophobicContact CG2-CG1 4.14Å; V183-V218 HydrophobicContact CG1-CG1 3.93Å; V183-I219 HydrophobicContact CG1-CG1 4.15Å |
| 184 | E | 96.8 | Very high | 96.1 | Very high | 99 Ų | 99 | 49.4 Ų | 49.4 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 175.5 | -72.4 | 177.3 | 167.8 | 0 | 0 | 112.3 | V180 K181 C182 L187 A188 V218 | V180-E184 WeakPolarHBondContact O-CG 3.3Å; V180-E184 PolarHBondContact O-N 3.15Å; K181-E184 PolarHBondContact O-N 3.29Å; C182-E184 VanDerWaalsContact C-N 3.35Å; E184-L187 PolarHBondContact O-N 3.41Å; E184-A188 VanDerWaalsContact O-CB 3.25Å; E184-A188 WeakPolarHBondContact O-CB 3.49Å; E184-A188 PolarHBondContact O-N 3.48Å; E184-V218 HydrophobicContact CB-CG1 4.42Å; E184-V218 HydrophobicContact CG-CB 4.28Å; E184-V218 HydrophobicContact CG-CG1 3.45Å; E184-V218 VanDerWaalsContact CG-CG1 3.45Å; E184-V218 HydrophobicContact CG-CG2 3.77Å; E184-V218 WeakPolarHBondContact OE1-CG2 3.24Å |
| 185 | A | 97.1 | Very high | 95.8 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 21% | 0.207 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T147 V150 K181 C182 V183 R189 | T147-A185 HydrophobicContact CG2-CB 4.3Å; V150-A185 HydrophobicContact CG1-CB 4.47Å; K181-A185 WeakPolarHBondContact O-CB 3.42Å; K181-A185 PolarHBondContact O-N 3.03Å; C182-A185 PolarHBondContact O-N 3.38Å; V183-A185 PolarHBondContact O-N 2.99Å; A185-R189 PolarHBondContact O-N 2.94Å |
| 186 | L | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 178.3 | -71.8 | 168.1 | 0 | 0 | 0 | 111.4 | L138 V150 L154 I160 P170 L171 A174 C182 V183 A188 R189 G190 A191 | L138-L186 HydrophobicContact CD1-CD2 4.33Å; L138-L186 HydrophobicContact CD2-CD2 4.39Å; V150-L186 HydrophobicContact CG1-CD2 4.08Å; V150-L186 HydrophobicContact CG1-CG 4.23Å; L154-L186 HydrophobicContact CD1-CD2 4.19Å; L154-L186 HydrophobicContact CD2-CD2 4.44Å; I160-L186 HydrophobicContact CD1-CB 4.44Å; I160-L186 HydrophobicContact CD1-CD2 3.98Å; I160-L186 VanDerWaalsContact CD1-O 3.24Å; I160-L186 WeakPolarHBondContact CD1-O 3.33Å; I160-L186 HydrophobicContact CG1-CD2 3.75Å; P170-L186 HydrophobicContact CB-CD1 4.24Å; P170-L186 HydrophobicContact CB-CD2 4.15Å; L171-L186 HydrophobicContact CB-CD1 4.35Å; L171-L186 HydrophobicContact CD1-CB 4.13Å; L171-L186 HydrophobicContact CD1-CD1 4.2Å; A174-L186 HydrophobicContact CB-CD1 3.93Å; C182-L186 WeakPolarHBondContact O-CB 3.5Å; C182-L186 VanDerWaalsContact O-CG 3.3Å; C182-L186 WeakPolarHBondContact O-CG 3.12Å; C182-L186 PolarHBondContact O-N 3.33Å; V183-L186 PolarHBondContact O-N 3Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 2.83Å; L186-R189 CarbonylContact O-C 3.58Å; L186-R189 PolarHBondContact O-N 3.5Å; L186-R189 VanDerWaalsContact O-N 3.09Å; L186-G190 PolarHBondContact O-N 2.87Å; L186-A191 HydrophobicContact CB-CB 3.95Å; L186-A191 WeakPolarHBondContact O-CB 3.41Å; L186-A191 PolarHBondContact O-N 3.34Å; L186-A191 VanDerWaalsContact O-N 3.1Å |
| 187 | L | 96.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 177.7 | -68.5 | 175.4 | 0 | 0 | 0 | 112.1 | L171 V183 E184 R189 G190 L193 V218 I219 H222 | L171-L187 HydrophobicContact CD1-CD2 4.29Å; L171-L187 HydrophobicContact CD1-CG 4.25Å; L171-L187 HydrophobicContact CD2-CD2 3.86Å; V183-L187 HydrophobicContact CG1-CD1 3.73Å; V183-L187 HydrophobicContact CG1-CG 4.31Å; V183-L187 WeakPolarHBondContact O-CB 3.5Å; V183-L187 VanDerWaalsContact O-CG 3.24Å; V183-L187 WeakPolarHBondContact O-CG 3.16Å; V183-L187 PolarHBondContact O-N 3.2Å; E184-L187 PolarHBondContact O-N 3.41Å; L187-R189 PolarHBondContact O-N 2.88Å; L187-R189 VanDerWaalsContact O-N 3.17Å; L187-G190 PolarHBondContact O-N 2.94Å; L187-L193 HydrophobicContact CD2-CD1 3.91Å; L187-L193 HydrophobicContact CD2-CD2 3.72Å; L187-L193 HydrophobicContact CD2-CG 3.68Å; L187-V218 HydrophobicContact CD1-CG1 4Å; L187-I219 HydrophobicContact CD1-CG1 4.1Å; L187-H222 HydrophobicContact CB-CB 4.5Å; L187-H222 HydrophobicContact CD1-CB 4Å; L187-H222 PolarHBondContact O-CE1 3.04Å |
| 188 | A | 94.3 | Very high | 95.1 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.5 | -24.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | E184 L186 | E184-A188 VanDerWaalsContact O-CB 3.25Å; E184-A188 WeakPolarHBondContact O-CB 3.49Å; E184-A188 PolarHBondContact O-N 3.48Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 2.83Å |
| 189 | R | 94.7 | Very high | 94.7 | Very high | 123 Ų | 123 | 55.2 Ų | 55.2 | 46% | 0.464 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 9.9 | 175.5 | -66.2 | -61 | -162.2 | 96.4 | 9.1 | 113.7 | L154 I160 A185 L186 L187 | L154-R189 HydrophobicContact CB-CG 4.28Å; L154-R189 HydrophobicContact CD1-CB 4.35Å; L154-R189 HydrophobicContact CD1-CG 3.91Å; L154-R189 HydrophobicContact CD2-CB 4.45Å; L154-R189 HydrophobicContact CG-CG 4.48Å; L154-R189 PolarHBondContact O-NH1 3.42Å; I160-R189 HydrophobicContact CD1-CB 3.58Å; A185-R189 PolarHBondContact O-N 2.94Å; L186-R189 CarbonylContact O-C 3.58Å; L186-R189 PolarHBondContact O-N 3.5Å; L186-R189 VanDerWaalsContact O-N 3.09Å; L187-R189 PolarHBondContact O-N 2.88Å; L187-R189 VanDerWaalsContact O-N 3.17Å |
| 190 | G | 92.6 | Very high | 94.5 | Very high | 48 Ų | 48 | 54.5 Ų | 54.5 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 30.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L186 L187 | L186-G190 PolarHBondContact O-N 2.87Å; L187-G190 PolarHBondContact O-N 2.94Å |
| 191 | A | 95.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 5% | 0.05 | 33% | 0.33 | C | S | . | . | trans | -58.5 | 137.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | I160 L171 L186 | I160-A191 HydrophobicContact CD1-CB 3.84Å; I160-A191 HydrophobicContact CG1-CB 3.97Å; L171-A191 HydrophobicContact CB-CB 4.35Å; L171-A191 HydrophobicContact CD2-CB 4.04Å; L186-A191 HydrophobicContact CB-CB 3.95Å; L186-A191 WeakPolarHBondContact O-CB 3.41Å; L186-A191 PolarHBondContact O-N 3.34Å; L186-A191 VanDerWaalsContact O-N 3.1Å | ||
| 192 | D | 94.1 | Very high | 94.2 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | trans | -74.2 | 132.2 | -179.2 | 178.2 | 33.5 | 0 | 0 | 0 | 111.4 | N161 L171 T194 T195 | N161-D192 WeakPolarHBondContact OD1-CB 3.46Å; N161-D192 PolarHBondContact OD1-N 2.98Å; L171-D192 WeakPolarHBondContact CD2-O 3.47Å; D192-T194 VanDerWaalsContact CG-OG1 3.28Å; D192-T194 WeakPolarHBondContact OD1-CB 3.34Å; D192-T194 PolarHBondContact OD1-N 3.3Å; D192-T194 PolarHBondContact OD1-OG1 3.43Å; D192-T194 PolarHBondContact OD2-OG1 2.79Å; D192-T195 WeakPolarHBondContact OD2-CB 3.43Å; D192-T195 PolarHBondContact OD2-N 3.26Å; D192-T195 PolarHBondContact OD2-OG1 3.46Å | ||
| 193 | L | 93.5 | Very high | 94.1 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.141 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -95 | -7.6 | 178 | -78.4 | 167.7 | 0 | 0 | 0 | 113.1 | L171 L187 P203 I219 I223 | L171-L193 HydrophobicContact CD2-CD2 3.84Å; L171-L193 HydrophobicContact CD2-CG 4.38Å; L187-L193 HydrophobicContact CD2-CD1 3.91Å; L187-L193 HydrophobicContact CD2-CD2 3.72Å; L187-L193 HydrophobicContact CD2-CG 3.68Å; L193-P203 HydrophobicContact CD2-CB 4.18Å; L193-P203 WeakPolarHBondContact O-CD 3.43Å; L193-I219 HydrophobicContact CD1-CG2 4.07Å; L193-I219 HydrophobicContact CD2-CB 4.46Å; L193-I219 HydrophobicContact CD2-CD1 4.43Å; L193-I219 HydrophobicContact CD2-CG1 4.18Å; L193-I219 HydrophobicContact CD2-CG2 3.53Å; L193-I219 HydrophobicContact CG-CG2 4.46Å; L193-I223 HydrophobicContact CD1-CD1 4.19Å; L193-I223 HydrophobicContact CD1-CG1 3.66Å |
| 194 | T | 91.9 | Very high | 94 | Very high | 105 Ų | 105 | 54.1 Ų | 54.1 | 64% | 0.644 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -99.1 | -20.7 | -173.8 | 68 | 0 | 0 | 0 | 0 | 113.6 | D192 E196 | D192-T194 VanDerWaalsContact CG-OG1 3.28Å; D192-T194 WeakPolarHBondContact OD1-CB 3.34Å; D192-T194 PolarHBondContact OD1-N 3.3Å; D192-T194 PolarHBondContact OD1-OG1 3.43Å; D192-T194 PolarHBondContact OD2-OG1 2.79Å; T194-E196 PolarHBondContact O-N 3.46Å |
| 195 | T | 92.1 | Very high | 94 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 25% | 0.252 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 118.4 | 175.6 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | Y163 T169 D192 P203 | Y163-T195 HydrophobicContact CD2-CG2 3.97Å; Y163-T195 HydrophobicContact CE2-CG2 3.98Å; T169-T195 HydrophobicContact CG2-CG2 3.74Å; D192-T195 WeakPolarHBondContact OD2-CB 3.43Å; D192-T195 PolarHBondContact OD2-N 3.26Å; D192-T195 PolarHBondContact OD2-OG1 3.46Å; T195-P203 WeakPolarHBondContact O-CD 3.47Å |
| 196 | E | 92.8 | Very high | 93.9 | Very high | 111 Ų | 111 | 53 Ų | 53 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 147.3 | 174.5 | -67.7 | 174.8 | -172.5 | 0 | 0 | 110.8 | Y163 T194 T202 | Y163-E196 WeakPolarHBondContact CE2-O 3.49Å; Y163-E196 PolarHBondContact OH-O 2.95Å; T194-E196 PolarHBondContact O-N 3.46Å; E196-T202 HydrophobicContact CG-CG2 3.77Å |
| 197 | A | 91.7 | Very high | 93.9 | Very high | 16 Ų | 16 | 53 Ų | 53 | 13% | 0.132 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 166.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G167 L172 S199 G200 Y201 | G167-A197 WeakPolarHBondContact O-CA 3.46Å; G167-A197 WeakPolarHBondContact O-CB 3.3Å; L172-A197 HydrophobicContact CD1-CB 3.76Å; L172-A197 HydrophobicContact CD2-CB 4.2Å; A197-S199 PolarHBondContact O-N 3.36Å; A197-G200 WeakPolarHBondContact O-CA 3.38Å; A197-G200 PolarHBondContact O-N 3.47Å; A197-Y201 PolarHBondContact N-O 3.49Å |
| 198 | D | 91.1 | Very high | 94 | Very high | 113 Ų | 113 | 56.9 Ų | 56.9 | 60% | 0.604 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.6 | 172.5 | -80.1 | -2.4 | 0 | 0 | 0 | 113.1 | Y163 G167 G200 | Y163-D198 PolarHBondContact OH-N 2.81Å; Y163-D198 VanDerWaalsContact OH-N 3.16Å; Y163-D198 PolarHBondContact OH-OD1 3.08Å; G167-D198 WeakPolarHBondContact CA-OD1 3.28Å; G167-D198 VanDerWaalsContact CA-OD2 3.24Å; G167-D198 WeakPolarHBondContact CA-OD2 3.36Å; G167-D198 PolarHBondContact N-OD2 3.21Å; G167-D198 PolarHBondContact O-N 3.37Å; D198-G200 PolarHBondContact O-N 2.75Å |
| 199 | S | 88.9 | Confident | 94.1 | Very high | 80 Ų | 80 | 56.2 Ų | 56.2 | 56% | 0.559 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -2.9 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | A197 Y201 | A197-S199 PolarHBondContact O-N 3.36Å; S199-Y201 WeakPolarHBondContact O-CD2 3.36Å; S199-Y201 WeakPolarHBondContact OG-CD2 3.34Å |
| 200 | G | 92.9 | Very high | 94.1 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 79.3 | 12.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A197 D198 | A197-G200 WeakPolarHBondContact O-CA 3.38Å; A197-G200 PolarHBondContact O-N 3.47Å; D198-G200 PolarHBondContact O-N 2.75Å |
| 201 | Y | 93.8 | Very high | 94.3 | Very high | 111 Ų | 111 | 53.8 Ų | 53.8 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | trans | -97.8 | 128.2 | 178.8 | -71.4 | -94 | 0 | 0 | 0 | 110.7 | A197 S199 D205 A209 | A197-Y201 PolarHBondContact N-O 3.49Å; S199-Y201 WeakPolarHBondContact O-CD2 3.36Å; S199-Y201 WeakPolarHBondContact OG-CD2 3.34Å; Y201-D205 HydrophobicContact CD1-CB 3.71Å; Y201-D205 HydrophobicContact CG-CB 4.44Å; Y201-A209 HydrophobicContact CE1-CB 4.27Å | ||
| 202 | T | 95.8 | Very high | 94.4 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | trans | -71.7 | 165.2 | 165.7 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | E196 M204 D205 L206 | E196-T202 HydrophobicContact CG-CG2 3.77Å; T202-M204 PolarHBondContact O-N 3.04Å; T202-M204 PolarHBondContact OG1-N 3.16Å; T202-D205 WeakPolarHBondContact CB-OD2 3.43Å; T202-D205 WeakPolarHBondContact CG2-OD2 3.36Å; T202-D205 PolarHBondContact N-OD2 2.98Å; T202-D205 VanDerWaalsContact N-OD2 3.12Å; T202-D205 PolarHBondContact O-N 3.11Å; T202-D205 VanDerWaalsContact O-N 3.13Å; T202-D205 PolarHBondContact OG1-N 3.2Å; T202-D205 VanDerWaalsContact OG1-N 3.15Å; T202-D205 PolarHBondContact OG1-OD2 3.08Å; T202-L206 WeakPolarHBondContact O-CB 3.33Å; T202-L206 PolarHBondContact O-N 2.87Å | ||
| 203 | P | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -52 | -36.7 | 171.4 | -29.2 | 35.3 | 0 | 0 | 0 | 113.7 | L171 L172 V175 L193 T195 A207 I219 | L171-P203 HydrophobicContact CD2-CB 4.09Å; L171-P203 HydrophobicContact CD2-CG 3.89Å; L171-P203 HydrophobicContact CG-CB 4.21Å; L171-P203 HydrophobicContact CG-CG 4.18Å; L172-P203 HydrophobicContact CD2-CB 4.48Å; L172-P203 HydrophobicContact CD2-CG 3.94Å; L172-P203 HydrophobicContact CG-CG 4.21Å; V175-P203 HydrophobicContact CG2-CB 4.2Å; L193-P203 HydrophobicContact CD2-CB 4.18Å; L193-P203 WeakPolarHBondContact O-CD 3.43Å; T195-P203 WeakPolarHBondContact O-CD 3.47Å; P203-A207 WeakPolarHBondContact O-CB 3.33Å; P203-A207 PolarHBondContact O-N 3.04Å; P203-A207 VanDerWaalsContact O-N 3.14Å; P203-I219 HydrophobicContact CB-CD1 4.47Å |
| 204 | M | 96.6 | Very high | 94.7 | Very high | 41 Ų | 41 | 70.1 Ų | 70.1 | 20% | 0.202 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.8 | -46.8 | 176.3 | -175 | 63.9 | 95.5 | 0 | 0 | 111.3 | T202 L206 A207 V208 Q216 I219 E220 I223 | T202-M204 PolarHBondContact O-N 3.04Å; T202-M204 PolarHBondContact OG1-N 3.16Å; M204-L206 VanDerWaalsContact C-N 3.26Å; M204-L206 PolarHBondContact O-N 3.16Å; M204-A207 PolarHBondContact O-N 2.54Å; M204-A207 VanDerWaalsContact O-N 3.13Å; M204-V208 HydrophobicContact CG-CG2 4.43Å; M204-V208 WeakPolarHBondContact O-CG2 3.19Å; M204-V208 PolarHBondContact O-N 3.03Å; M204-V208 HydrophobicContact SD-CG2 4.47Å; M204-Q216 HydrophobicContact SD-CB 4.42Å; M204-Q216 HydrophobicContact SD-CG 4.4Å; M204-I219 HydrophobicContact CE-CB 3.86Å; M204-I219 HydrophobicContact CE-CG2 3.4Å; M204-I219 VanDerWaalsContact CE-CG2 3.4Å; M204-I219 HydrophobicContact SD-CB 4.3Å; M204-I219 HydrophobicContact SD-CG2 4.09Å; M204-E220 HydrophobicContact CE-CG 3.62Å; M204-I223 HydrophobicContact CE-CD1 4.12Å |
| 205 | D | 96.3 | Very high | 95 | Very high | 74 Ų | 74 | 65.1 Ų | 65.1 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | -179.8 | -58.4 | -46.4 | 0 | 0 | 0 | 111.1 | Y201 T202 V208 A209 | Y201-D205 HydrophobicContact CD1-CB 3.71Å; Y201-D205 HydrophobicContact CG-CB 4.44Å; T202-D205 WeakPolarHBondContact CB-OD2 3.43Å; T202-D205 WeakPolarHBondContact CG2-OD2 3.36Å; T202-D205 PolarHBondContact N-OD2 2.98Å; T202-D205 VanDerWaalsContact N-OD2 3.12Å; T202-D205 PolarHBondContact O-N 3.11Å; T202-D205 VanDerWaalsContact O-N 3.13Å; T202-D205 PolarHBondContact OG1-N 3.2Å; T202-D205 VanDerWaalsContact OG1-N 3.15Å; T202-D205 PolarHBondContact OG1-OD2 3.08Å; D205-V208 PolarHBondContact O-N 3.42Å; D205-A209 VanDerWaalsContact O-CB 3.29Å; D205-A209 WeakPolarHBondContact O-CB 3.37Å; D205-A209 PolarHBondContact O-N 3.42Å |
| 206 | L | 95.8 | Very high | 95.2 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 176.2 | -171.5 | 64 | 0 | 0 | 0 | 111.5 | L172 V175 R176 T202 M204 V208 A209 L210 | L172-L206 HydrophobicContact CD2-CD2 4.24Å; V175-L206 HydrophobicContact CB-CD2 4.41Å; V175-L206 HydrophobicContact CG1-CB 4.09Å; V175-L206 HydrophobicContact CG1-CD2 4.04Å; V175-L206 HydrophobicContact CG1-CG 4.07Å; R176-L206 HydrophobicContact CB-CD2 4.02Å; T202-L206 WeakPolarHBondContact O-CB 3.33Å; T202-L206 PolarHBondContact O-N 2.87Å; M204-L206 VanDerWaalsContact C-N 3.26Å; M204-L206 PolarHBondContact O-N 3.16Å; L206-V208 VanDerWaalsContact C-N 3.28Å; L206-V208 PolarHBondContact O-N 3.25Å; L206-A209 PolarHBondContact O-N 3.16Å; L206-L210 HydrophobicContact CD1-CD1 3.91Å; L206-L210 HydrophobicContact CD1-CG 4.27Å; L206-L210 HydrophobicContact CG-CD1 3.91Å; L206-L210 WeakPolarHBondContact O-CB 3.38Å; L206-L210 VanDerWaalsContact O-CG 3.27Å; L206-L210 WeakPolarHBondContact O-CG 3.06Å; L206-L210 PolarHBondContact O-N 3.34Å |
| 207 | A | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V175 P203 M204 G211 Y212 V215 Q216 I219 | V175-A207 HydrophobicContact CG1-CB 3.84Å; P203-A207 WeakPolarHBondContact O-CB 3.33Å; P203-A207 PolarHBondContact O-N 3.04Å; P203-A207 VanDerWaalsContact O-N 3.14Å; M204-A207 PolarHBondContact O-N 2.54Å; M204-A207 VanDerWaalsContact O-N 3.13Å; A207-G211 PolarHBondContact O-N 3.21Å; A207-Y212 PolarHBondContact O-N 2.56Å; A207-V215 HydrophobicContact CB-CB 4.33Å; A207-V215 HydrophobicContact CB-CG1 3.9Å; A207-Q216 HydrophobicContact CB-CG 3.76Å; A207-Q216 PolarHBondContact O-NE2 2.97Å; A207-I219 HydrophobicContact CB-CD1 4.4Å |
| 208 | V | 96.9 | Very high | 95.7 | Very high | 84 Ų | 84 | 64.9 Ų | 64.9 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.4 | -50.4 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | M204 D205 L206 L210 G211 Q216 | M204-V208 HydrophobicContact CG-CG2 4.43Å; M204-V208 WeakPolarHBondContact O-CG2 3.19Å; M204-V208 PolarHBondContact O-N 3.03Å; M204-V208 HydrophobicContact SD-CG2 4.47Å; D205-V208 PolarHBondContact O-N 3.42Å; L206-V208 VanDerWaalsContact C-N 3.28Å; L206-V208 PolarHBondContact O-N 3.25Å; V208-L210 VanDerWaalsContact C-N 3.25Å; V208-L210 PolarHBondContact O-N 3.44Å; V208-G211 PolarHBondContact O-N 2.79Å; V208-Q216 HydrophobicContact CG2-CG 4.18Å |
| 209 | A | 96.2 | Very high | 95.9 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 56% | 0.562 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.1 | -36.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y201 D205 L206 | Y201-A209 HydrophobicContact CE1-CB 4.27Å; D205-A209 VanDerWaalsContact O-CB 3.29Å; D205-A209 WeakPolarHBondContact O-CB 3.37Å; D205-A209 PolarHBondContact O-N 3.42Å; L206-A209 PolarHBondContact O-N 3.16Å |
| 210 | L | 95.4 | Very high | 96.2 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 38% | 0.382 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -6.5 | 178 | -61.2 | 175.2 | 0 | 0 | 0 | 113.8 | L206 V208 Y212 | L206-L210 HydrophobicContact CD1-CD1 3.91Å; L206-L210 HydrophobicContact CD1-CG 4.27Å; L206-L210 HydrophobicContact CG-CD1 3.91Å; L206-L210 WeakPolarHBondContact O-CB 3.38Å; L206-L210 VanDerWaalsContact O-CG 3.27Å; L206-L210 WeakPolarHBondContact O-CG 3.06Å; L206-L210 PolarHBondContact O-N 3.34Å; V208-L210 VanDerWaalsContact C-N 3.25Å; V208-L210 PolarHBondContact O-N 3.44Å; L210-Y212 VanDerWaalsContact C-N 3.33Å; L210-Y212 HydrophobicContact CB-CD1 4.11Å; L210-Y212 HydrophobicContact CB-CD2 3.8Å; L210-Y212 HydrophobicContact CB-CE1 3.93Å; L210-Y212 HydrophobicContact CB-CE2 3.63Å; L210-Y212 HydrophobicContact CB-CG 4.04Å; L210-Y212 HydrophobicContact CD1-CD2 4.05Å; L210-Y212 HydrophobicContact CD1-CE2 3.42Å; L210-Y212 VanDerWaalsContact CD1-CE2 3.42Å; L210-Y212 HydrophobicContact CG-CE2 4.14Å; L210-Y212 WeakPolarHBondContact O-CD1 3.41Å; L210-Y212 WeakPolarHBondContact O-CE1 3.36Å; L210-Y212 PolarHBondContact O-N 2.99Å |
| 211 | G | 96.7 | Very high | 96.3 | Very high | 47 Ų | 47 | 62.1 Ų | 62.1 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 20.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | A207 V208 R213 | A207-G211 PolarHBondContact O-N 3.21Å; V208-G211 PolarHBondContact O-N 2.79Å; G211-R213 VanDerWaalsContact C-N 3.3Å; G211-R213 PolarHBondContact O-N 3.47Å |
| 212 | Y | 97.9 | Very high | 96.3 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 26% | 0.255 | 30% | 0.301 | S | S | . | . | trans | -79.3 | 73.6 | -177.3 | -61.8 | -19.2 | 0 | 0 | 0 | 112.4 | V175 N178 A207 L210 K214 V215 Q216 | V175-Y212 VanDerWaalsContact O-CD2 3.29Å; V175-Y212 WeakPolarHBondContact O-CD2 3.33Å; V175-Y212 VanDerWaalsContact O-CE2 3.3Å; V175-Y212 WeakPolarHBondContact O-CE2 3.11Å; N178-Y212 HydrophobicContact CB-CD1 4.24Å; N178-Y212 HydrophobicContact CB-CD2 3.78Å; N178-Y212 HydrophobicContact CB-CE1 4.15Å; N178-Y212 HydrophobicContact CB-CE2 3.65Å; N178-Y212 HydrophobicContact CB-CG 4.08Å; A207-Y212 PolarHBondContact O-N 2.56Å; L210-Y212 VanDerWaalsContact C-N 3.33Å; L210-Y212 HydrophobicContact CB-CD1 4.11Å; L210-Y212 HydrophobicContact CB-CD2 3.8Å; L210-Y212 HydrophobicContact CB-CE1 3.93Å; L210-Y212 HydrophobicContact CB-CE2 3.63Å; L210-Y212 HydrophobicContact CB-CG 4.04Å; L210-Y212 HydrophobicContact CD1-CD2 4.05Å; L210-Y212 HydrophobicContact CD1-CE2 3.42Å; L210-Y212 VanDerWaalsContact CD1-CE2 3.42Å; L210-Y212 HydrophobicContact CG-CE2 4.14Å; L210-Y212 WeakPolarHBondContact O-CD1 3.41Å; L210-Y212 WeakPolarHBondContact O-CE1 3.36Å; L210-Y212 PolarHBondContact O-N 2.99Å; Y212-K214 VanDerWaalsContact C-N 3.26Å; Y212-K214 PolarHBondContact O-N 2.92Å; Y212-K214 VanDerWaalsContact O-N 3.13Å; Y212-V215 PolarHBondContact O-N 3.18Å; Y212-Q216 WeakPolarHBondContact O-CG 3.41Å; Y212-Q216 PolarHBondContact O-N 3.15Å | ||
| 213 | R | 96.9 | Very high | 96.1 | Very high | 202 Ų | 202 | 60 Ų | 60 | 76% | 0.762 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -50.5 | -38.5 | -178 | -76.1 | -99.9 | -79.6 | -99.1 | -2.4 | 114.8 | G211 Q217 | G211-R213 VanDerWaalsContact C-N 3.3Å; G211-R213 PolarHBondContact O-N 3.47Å; R213-Q217 WeakPolarHBondContact O-CB 3.27Å; R213-Q217 PolarHBondContact O-N 3.12Å |
| 214 | K | 97.2 | Very high | 95.9 | Very high | 152 Ų | 152 | 64.7 Ų | 64.7 | 66% | 0.661 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.9 | -42.5 | 179.3 | -68.1 | -178 | 180 | 177.2 | 0 | 111.8 | V180 Y212 Q217 V218 | V180-K214 HydrophobicContact CG2-CB 3.76Å; V180-K214 HydrophobicContact CG2-CD 4.48Å; Y212-K214 VanDerWaalsContact C-N 3.26Å; Y212-K214 PolarHBondContact O-N 2.92Å; Y212-K214 VanDerWaalsContact O-N 3.13Å; K214-Q217 PolarHBondContact O-N 3.37Å; K214-V218 WeakPolarHBondContact O-CG2 3.39Å; K214-V218 PolarHBondContact O-N 3.36Å; K214-V218 VanDerWaalsContact O-N 3.1Å |
| 215 | V | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 176.8 | 176 | 0 | 0 | 0 | 0 | 110.3 | V175 N178 V180 V183 A207 Y212 Q217 V218 I219 | V175-V215 HydrophobicContact CB-CG1 4.37Å; V175-V215 HydrophobicContact CG1-CG1 4.13Å; V175-V215 HydrophobicContact CG2-CG1 3.84Å; N178-V215 WeakPolarHBondContact OD1-CG2 3.39Å; V180-V215 HydrophobicContact CG2-CG2 3.86Å; V183-V215 HydrophobicContact CG1-CG1 4.32Å; V183-V215 HydrophobicContact CG2-CG1 4.14Å; A207-V215 HydrophobicContact CB-CB 4.33Å; A207-V215 HydrophobicContact CB-CG1 3.9Å; Y212-V215 PolarHBondContact O-N 3.18Å; V215-Q217 VanDerWaalsContact C-N 3.34Å; V215-Q217 PolarHBondContact O-N 2.72Å; V215-V218 PolarHBondContact O-N 3.22Å; V215-I219 HydrophobicContact CG1-CD1 3.87Å; V215-I219 HydrophobicContact CG1-CG1 4.47Å; V215-I219 WeakPolarHBondContact O-CG1 3.26Å; V215-I219 PolarHBondContact O-N 2.87Å |
| 216 | Q | 97.1 | Very high | 95.1 | Very high | 28 Ų | 28 | 69.6 Ų | 69.6 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -53.9 | -51 | 174.2 | -67 | 166.8 | 28.3 | 0 | 0 | 111 | M204 A207 V208 Y212 V218 I219 E220 | M204-Q216 HydrophobicContact SD-CB 4.42Å; M204-Q216 HydrophobicContact SD-CG 4.4Å; A207-Q216 HydrophobicContact CB-CG 3.76Å; A207-Q216 PolarHBondContact O-NE2 2.97Å; V208-Q216 HydrophobicContact CG2-CG 4.18Å; Y212-Q216 WeakPolarHBondContact O-CG 3.41Å; Y212-Q216 PolarHBondContact O-N 3.15Å; Q216-V218 VanDerWaalsContact C-N 3.3Å; Q216-V218 PolarHBondContact O-N 3.25Å; Q216-I219 PolarHBondContact O-N 2.96Å; Q216-I219 VanDerWaalsContact O-N 3.11Å; Q216-E220 WeakPolarHBondContact O-CB 3.46Å; Q216-E220 WeakPolarHBondContact O-CG 3.18Å; Q216-E220 PolarHBondContact O-N 3.25Å |
| 217 | Q | 96.9 | Very high | 94.6 | Very high | 117 Ų | 117 | 74.3 Ų | 74.3 | 55% | 0.547 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | -179.5 | -172.2 | 169.5 | 31.1 | 0 | 0 | 112.7 | R213 K214 V215 N221 | R213-Q217 WeakPolarHBondContact O-CB 3.27Å; R213-Q217 PolarHBondContact O-N 3.12Å; K214-Q217 PolarHBondContact O-N 3.37Å; V215-Q217 VanDerWaalsContact C-N 3.34Å; V215-Q217 PolarHBondContact O-N 2.72Å; Q217-N221 VanDerWaalsContact O-CB 3.25Å; Q217-N221 WeakPolarHBondContact O-CB 3.45Å; Q217-N221 PolarHBondContact O-N 3.08Å; Q217-N221 PolarHBondContact O-ND2 3.01Å; Q217-N221 VanDerWaalsContact O-ND2 3.09Å |
| 218 | V | 97.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 80.7 Ų | 80.7 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63 | -47.4 | 174.2 | 165 | 0 | 0 | 0 | 0 | 111.1 | V180 V183 E184 L187 K214 V215 Q216 N221 H222 | V180-V218 HydrophobicContact CG1-CG2 3.76Å; V183-V218 HydrophobicContact CG1-CG1 3.93Å; E184-V218 HydrophobicContact CB-CG1 4.42Å; E184-V218 HydrophobicContact CG-CB 4.28Å; E184-V218 HydrophobicContact CG-CG1 3.45Å; E184-V218 VanDerWaalsContact CG-CG1 3.45Å; E184-V218 HydrophobicContact CG-CG2 3.77Å; E184-V218 WeakPolarHBondContact OE1-CG2 3.24Å; L187-V218 HydrophobicContact CD1-CG1 4Å; K214-V218 WeakPolarHBondContact O-CG2 3.39Å; K214-V218 PolarHBondContact O-N 3.36Å; K214-V218 VanDerWaalsContact O-N 3.1Å; V215-V218 PolarHBondContact O-N 3.22Å; Q216-V218 VanDerWaalsContact C-N 3.3Å; Q216-V218 PolarHBondContact O-N 3.25Å; V218-N221 PolarHBondContact O-N 2.89Å; V218-H222 PolarHBondContact O-N 2.85Å |
| 219 | I | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 179.5 | -65.5 | 169.5 | 0 | 0 | 0 | 110.3 | V175 V183 L187 L193 P203 M204 A207 V215 Q216 N221 H222 I223 | V175-I219 HydrophobicContact CG2-CD1 4.26Å; V183-I219 HydrophobicContact CG1-CG1 4.15Å; L187-I219 HydrophobicContact CD1-CG1 4.1Å; L193-I219 HydrophobicContact CD1-CG2 4.07Å; L193-I219 HydrophobicContact CD2-CB 4.46Å; L193-I219 HydrophobicContact CD2-CD1 4.43Å; L193-I219 HydrophobicContact CD2-CG1 4.18Å; L193-I219 HydrophobicContact CD2-CG2 3.53Å; L193-I219 HydrophobicContact CG-CG2 4.46Å; P203-I219 HydrophobicContact CB-CD1 4.47Å; M204-I219 HydrophobicContact CE-CB 3.86Å; M204-I219 HydrophobicContact CE-CG2 3.4Å; M204-I219 VanDerWaalsContact CE-CG2 3.4Å; M204-I219 HydrophobicContact SD-CB 4.3Å; M204-I219 HydrophobicContact SD-CG2 4.09Å; A207-I219 HydrophobicContact CB-CD1 4.4Å; V215-I219 HydrophobicContact CG1-CD1 3.87Å; V215-I219 HydrophobicContact CG1-CG1 4.47Å; V215-I219 WeakPolarHBondContact O-CG1 3.26Å; V215-I219 PolarHBondContact O-N 2.87Å; Q216-I219 PolarHBondContact O-N 2.96Å; Q216-I219 VanDerWaalsContact O-N 3.11Å; I219-N221 VanDerWaalsContact C-N 3.35Å; I219-N221 PolarHBondContact O-N 3.07Å; I219-H222 WeakPolarHBondContact O-CB 3.42Å; I219-H222 PolarHBondContact O-N 3.31Å; I219-H222 VanDerWaalsContact O-N 3.1Å; I219-I223 HydrophobicContact CG2-CD1 3.76Å; I219-I223 HydrophobicContact CG2-CG1 4.33Å; I219-I223 WeakPolarHBondContact O-CG1 3.1Å; I219-I223 PolarHBondContact O-N 2.97Å |
| 220 | E | 94.9 | Very high | 91.3 | Very high | 97 Ų | 97 | 83.6 Ų | 83.6 | 45% | 0.453 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -55.8 | -48.9 | 176.5 | -72.6 | 173.8 | -176.1 | 0 | 0 | 111.6 | M204 Q216 H222 I223 L224 | M204-E220 HydrophobicContact CE-CG 3.62Å; Q216-E220 WeakPolarHBondContact O-CB 3.46Å; Q216-E220 WeakPolarHBondContact O-CG 3.18Å; Q216-E220 PolarHBondContact O-N 3.25Å; E220-H222 VanDerWaalsContact C-N 3.25Å; E220-H222 PolarHBondContact O-N 3.25Å; E220-I223 PolarHBondContact O-N 2.86Å; E220-L224 VanDerWaalsContact O-CG 3.32Å; E220-L224 WeakPolarHBondContact O-CG 3.39Å; E220-L224 PolarHBondContact O-N 2.65Å |
| 221 | N | 94.6 | Very high | 89.7 | Confident | 75 Ų | 75 | 86.5 Ų | 86.5 | 40% | 0.401 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 178 | -75 | -25.3 | 0 | 0 | 0 | 112 | Q217 V218 I219 K225 | Q217-N221 VanDerWaalsContact O-CB 3.25Å; Q217-N221 WeakPolarHBondContact O-CB 3.45Å; Q217-N221 PolarHBondContact O-N 3.08Å; Q217-N221 PolarHBondContact O-ND2 3.01Å; Q217-N221 VanDerWaalsContact O-ND2 3.09Å; V218-N221 PolarHBondContact O-N 2.89Å; I219-N221 VanDerWaalsContact C-N 3.35Å; I219-N221 PolarHBondContact O-N 3.07Å; N221-K225 VanDerWaalsContact O-CG 3.25Å; N221-K225 WeakPolarHBondContact O-CG 3.11Å; N221-K225 PolarHBondContact O-N 3.03Å |
| 222 | H | 93.8 | Very high | 88 | Confident | 36 Ų | 36 | 90 Ų | 90 | 17% | 0.167 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -68.8 | -46.3 | 176.5 | -172.6 | 79 | 0 | 0 | 0 | 111.5 | L187 V218 I219 E220 L224 K225 L226 | L187-H222 HydrophobicContact CB-CB 4.5Å; L187-H222 HydrophobicContact CD1-CB 4Å; L187-H222 PolarHBondContact O-CE1 3.04Å; V218-H222 PolarHBondContact O-N 2.85Å; I219-H222 WeakPolarHBondContact O-CB 3.42Å; I219-H222 PolarHBondContact O-N 3.31Å; I219-H222 VanDerWaalsContact O-N 3.1Å; E220-H222 VanDerWaalsContact C-N 3.25Å; E220-H222 PolarHBondContact O-N 3.25Å; H222-L224 VanDerWaalsContact C-N 3.34Å; H222-L224 PolarHBondContact O-N 3.12Å; H222-K225 WeakPolarHBondContact O-CB 3.38Å; H222-K225 PolarHBondContact O-N 2.81Å; H222-K225 VanDerWaalsContact O-N 3.14Å; H222-L226 PolarHBondContact O-N 3.38Å; H222-L226 VanDerWaalsContact O-N 3.07Å |
| 223 | I | 91.9 | Very high | 85.9 | Confident | 53 Ų | 53 | 91.5 Ų | 91.5 | 27% | 0.272 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 176.6 | -67.5 | 169.2 | 0 | 0 | 0 | 110.9 | L193 M204 I219 E220 K225 L226 F227 | L193-I223 HydrophobicContact CD1-CD1 4.19Å; L193-I223 HydrophobicContact CD1-CG1 3.66Å; M204-I223 HydrophobicContact CE-CD1 4.12Å; I219-I223 HydrophobicContact CG2-CD1 3.76Å; I219-I223 HydrophobicContact CG2-CG1 4.33Å; I219-I223 WeakPolarHBondContact O-CG1 3.1Å; I219-I223 PolarHBondContact O-N 2.97Å; E220-I223 PolarHBondContact O-N 2.86Å; I223-K225 VanDerWaalsContact C-N 3.29Å; I223-K225 PolarHBondContact O-N 2.97Å; I223-L226 WeakPolarHBondContact O-CB 3.32Å; I223-L226 PolarHBondContact O-N 3.36Å; I223-L226 VanDerWaalsContact O-N 3.16Å; I223-F227 HydrophobicContact CG2-CD2 3.8Å; I223-F227 HydrophobicContact CG2-CE2 3.49Å; I223-F227 VanDerWaalsContact CG2-CE2 3.49Å; I223-F227 WeakPolarHBondContact O-CD2 3.05Å; I223-F227 PolarHBondContact O-N 3.49Å |
| 224 | L | 91 | Very high | 84.2 | Confident | 99 Ų | 99 | 86.6 Ų | 86.6 | 52% | 0.518 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 178.4 | -70.1 | 175.8 | 0 | 0 | 0 | 112.4 | E220 H222 F227 Q228 | E220-L224 VanDerWaalsContact O-CG 3.32Å; E220-L224 WeakPolarHBondContact O-CG 3.39Å; E220-L224 PolarHBondContact O-N 2.65Å; H222-L224 VanDerWaalsContact C-N 3.34Å; H222-L224 PolarHBondContact O-N 3.12Å; L224-F227 PolarHBondContact O-N 2.91Å; L224-Q228 WeakPolarHBondContact O-CG 3.16Å; L224-Q228 PolarHBondContact O-N 2.94Å; L224-Q228 VanDerWaalsContact O-N 3.11Å |
| 225 | K | 89.8 | Confident | 82.4 | Confident | 137 Ų | 137 | 86.4 Ų | 86.4 | 60% | 0.596 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 175.2 | -72.4 | 168.7 | -172.6 | 177.3 | 0 | 111.7 | N221 H222 I223 F227 Q228 S229 | N221-K225 VanDerWaalsContact O-CG 3.25Å; N221-K225 WeakPolarHBondContact O-CG 3.11Å; N221-K225 PolarHBondContact O-N 3.03Å; H222-K225 WeakPolarHBondContact O-CB 3.38Å; H222-K225 PolarHBondContact O-N 2.81Å; H222-K225 VanDerWaalsContact O-N 3.14Å; I223-K225 VanDerWaalsContact C-N 3.29Å; I223-K225 PolarHBondContact O-N 2.97Å; K225-F227 VanDerWaalsContact C-N 3.31Å; K225-F227 PolarHBondContact O-N 3.13Å; K225-Q228 PolarHBondContact O-N 2.79Å; K225-S229 PolarHBondContact O-N 2.82Å; K225-S229 PolarHBondContact O-OG 2.68Å; K225-S229 VanDerWaalsContact O-OG 3.08Å |
| 226 | L | 87.1 | Confident | 81.2 | Confident | 81 Ų | 81 | 92.3 Ų | 92.3 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 177.6 | -67.6 | 174.5 | 0 | 0 | 0 | 112 | H222 I223 S229 N230 | H222-L226 PolarHBondContact O-N 3.38Å; H222-L226 VanDerWaalsContact O-N 3.07Å; I223-L226 WeakPolarHBondContact O-CB 3.32Å; I223-L226 PolarHBondContact O-N 3.36Å; I223-L226 VanDerWaalsContact O-N 3.16Å; L226-S229 WeakPolarHBondContact CA-OG 3.4Å; L226-S229 PolarHBondContact O-OG 2.66Å; L226-N230 PolarHBondContact O-N 3.38Å; L226-N230 PolarHBondContact O-ND2 2.98Å |
| 227 | F | 84.7 | Confident | 79.6 | Confident | 128 Ų | 128 | 103.8 Ų | 103.8 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.8 | -39.2 | 176.3 | -75.6 | -69.5 | 0 | 0 | 0 | 112.7 | I223 L224 K225 N230 L231 | I223-F227 HydrophobicContact CG2-CD2 3.8Å; I223-F227 HydrophobicContact CG2-CE2 3.49Å; I223-F227 VanDerWaalsContact CG2-CE2 3.49Å; I223-F227 WeakPolarHBondContact O-CD2 3.05Å; I223-F227 PolarHBondContact O-N 3.49Å; L224-F227 PolarHBondContact O-N 2.91Å; K225-F227 VanDerWaalsContact C-N 3.31Å; K225-F227 PolarHBondContact O-N 3.13Å; F227-N230 PolarHBondContact O-N 2.94Å; F227-L231 WeakPolarHBondContact O-CD1 3.31Å; F227-L231 PolarHBondContact O-N 3.32Å |
| 228 | Q | 82.8 | Confident | 78.8 | Confident | 134 Ų | 134 | 103.2 Ų | 103.2 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.7 | -39.3 | 178 | -71.9 | 175.3 | 9.7 | 0 | 0 | 112.5 | L224 K225 N230 L231 | L224-Q228 WeakPolarHBondContact O-CG 3.16Å; L224-Q228 PolarHBondContact O-N 2.94Å; L224-Q228 VanDerWaalsContact O-N 3.11Å; K225-Q228 PolarHBondContact O-N 2.79Å; Q228-N230 PolarHBondContact O-N 3.27Å; Q228-L231 PolarHBondContact O-N 2.92Å |
| 229 | S | 74.2 | Confident | 77.8 | Confident | 81 Ų | 81 | 107.6 Ų | 107.6 | 57% | 0.566 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.5 | -25.6 | 175.8 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | K225 L226 | K225-S229 PolarHBondContact O-N 2.82Å; K225-S229 PolarHBondContact O-OG 2.68Å; K225-S229 VanDerWaalsContact O-OG 3.08Å; L226-S229 WeakPolarHBondContact CA-OG 3.4Å; L226-S229 PolarHBondContact O-OG 2.66Å |
| 230 | N | 65.3 | Low | 76.8 | Confident | 132 Ų | 132 | 113.6 Ų | 113.6 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -5.1 | 178.3 | -72.3 | -42.4 | 0 | 0 | 0 | 113.8 | L226 F227 Q228 | L226-N230 PolarHBondContact O-N 3.38Å; L226-N230 PolarHBondContact O-ND2 2.98Å; F227-N230 PolarHBondContact O-N 2.94Å; Q228-N230 PolarHBondContact O-N 3.27Å |
| 231 | L | 61.2 | Low | 75.7 | Confident | 134 Ų | 134 | 114.5 Ų | 114.5 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -104.8 | -6.6 | -174.3 | -110.5 | 117 | 0 | 0 | 0 | 114.7 | F227 Q228 P233 | F227-L231 WeakPolarHBondContact O-CD1 3.31Å; F227-L231 PolarHBondContact O-N 3.32Å; Q228-L231 PolarHBondContact O-N 2.92Å; L231-P233 WeakPolarHBondContact O-CD 3.34Å |
| 232 | V | 60.1 | Low | 74.6 | Confident | 119 Ų | 119 | 117 Ų | 117 | 72% | 0.721 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -98.6 | 98.3 | 172.7 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | A234 | V232-A234 PolarHBondContact O-N 3.37Š|
| 233 | P | 53.9 | Low | 73.3 | Confident | 98 Ų | 98 | 122.4 Ų | 122.4 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | -62.1 | 131.1 | 172.7 | 25.7 | -31.3 | 0 | 0 | 0 | 108.7 | L231 D235 | L231-P233 WeakPolarHBondContact O-CD 3.34Å; P233-D235 PolarHBondContact O-N 3.47Å | ||
| 234 | A | 60.8 | Low | 71.9 | Confident | 98 Ų | 98 | 127.4 Ų | 127.4 | 81% | 0.81 | 70% | 0.695 | S | S | * | * | trans | -60.8 | 110.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | V232 | V232-A234 PolarHBondContact O-N 3.37Š| ||
| 235 | D | 60.3 | Low | 70.5 | Confident | 149 Ų | 149 | 129.5 Ų | 129.5 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | trans | -57.7 | 131 | 171.7 | -80.6 | -40.5 | 0 | 0 | 0 | 109.1 | P233 E237 | P233-D235 PolarHBondContact O-N 3.47Å; D235-E237 PolarHBondContact O-N 3.24Å | ||
| 236 | P | 71.3 | Confident | 68.9 | Low | 124 Ų | 124 | 128.9 Ų | 128.9 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | trans | -80.5 | 116 | 171.5 | 30.8 | -28.6 | 0 | 0 | 0 | 109.2 | ||||
| 237 | E | 64.9 | Low | 67.2 | Low | 269 Ų | 269 | 133.3 Ų | 133.3 | 100% | 1.257 | 74% | 0.744 | S | S | * | * | trans | -78.2 | 0 | 158.3 | -82.9 | -165.6 | 146.2 | 0 | 0 | 111.4 | D235 | D235-E237 PolarHBondContact O-N 3.24Š|
Retrieved 237 of 237 residues in 175.6 ms
(Link to these results)