| 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 | 38.7 | Very low | 35.3 | Very low | 210 Ų | 210 | 124.5 Ų | 124.5 | 100% | 1.034 | 65% | 0.647 | S | S | * | * | 0 | 20.1 | 0 | -144.9 | -176.2 | -89.2 | 0 | 0 | 113.4 | |||||
| 2 | C | 30.4 | Very low | 34.8 | Very low | 52 Ų | 52 | 124.3 Ų | 124.3 | 35% | 0.351 | 66% | 0.664 | S | S | . | * | trans | -136.3 | 35.9 | -178.1 | -74.5 | 0 | 0 | 0 | 0 | 113.6 | R134 | C2-R134 HydrophobicContact CB-CG 4.2Š| ||
| 3 | Q | 33.3 | Very low | 34.3 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 80% | 0.799 | 67% | 0.672 | S | S | * | * | trans | -93.7 | 24.2 | 170.3 | -77.4 | -179.7 | -14.3 | 0 | 0 | 112.1 | L5 | Q3-L5 PolarHBondContact O-N 3.09Š| ||
| 4 | L | 45.6 | Very low | 33.9 | Very low | 50 Ų | 50 | 123 Ų | 123 | 26% | 0.262 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -84.8 | -6.4 | -158.9 | -111 | 154.2 | 0 | 0 | 0 | 114.6 | R157 M164 | L4-R157 PolarHBondContact O-NH2 3.47Å; L4-M164 HydrophobicContact CD1-CG 4.49Å; L4-M164 HydrophobicContact CD2-CB 3.81Å; L4-M164 HydrophobicContact CD2-CE 3.4Å; L4-M164 VanDerWaalsContact CD2-CE 3.4Å; L4-M164 HydrophobicContact CD2-CG 3.29Å; L4-M164 HydrophobicContact CD2-SD 3.79Å; L4-M164 HydrophobicContact CG-CG 4.27Å |
| 5 | L | 41 | Very low | 33.5 | Very low | 40 Ų | 40 | 122.6 Ų | 122.6 | 21% | 0.209 | 69% | 0.693 | C | S | . | * | S | Bend | trans | -139.8 | 7 | -172.4 | -71.2 | 175.2 | 0 | 0 | 0 | 116.7 | Q3 R7 P126 R127 | Q3-L5 PolarHBondContact O-N 3.09Å; L5-R7 PolarHBondContact O-N 3.21Å; L5-P126 HydrophobicContact CD1-CB 4.14Å; L5-R127 HydrophobicContact CB-CG 3.91Å; L5-R127 HydrophobicContact CD1-CG 4.09Å; L5-R127 PolarHBondContact O-NE 3.14Å; L5-R127 VanDerWaalsContact O-NE 3.1Å; L5-R127 PolarHBondContact O-NH2 3.1Å |
| 6 | E | 33.6 | Very low | 33.3 | Very low | 146 Ų | 146 | 121.4 Ų | 121.4 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 123.6 | 175.4 | -75.4 | 171.6 | -177.6 | 0 | 0 | 110 | ||
| 7 | R | 38.4 | Very low | 32.9 | Very low | 181 Ų | 181 | 122.9 Ų | 122.9 | 68% | 0.683 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 127.6 | 156.5 | -90.5 | -174.1 | 179 | 151.2 | 3.5 | 104.7 | L5 | L5-R7 PolarHBondContact O-N 3.21Š|
| 8 | V | 34.9 | Very low | 32.9 | Very low | 121 Ų | 121 | 121.4 Ų | 121.4 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 131.2 | 157.5 | -179.7 | 0 | 0 | 0 | 0 | 106.1 | D10 | V8-D10 PolarHBondContact O-N 2.81Š|
| 9 | P | 32.1 | Very low | 32.6 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 71% | 0.714 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 120.9 | 169.5 | 27.5 | -28.6 | 0 | 0 | 0 | 109 | T11 | P9-T11 PolarHBondContact O-N 2.79Š|
| 10 | D | 29.7 | Very low | 32.6 | Very low | 157 Ų | 157 | 122.9 Ų | 122.9 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | trans | -73.1 | 108.2 | 169.5 | -68.1 | -37.4 | 0 | 0 | 0 | 108.1 | V8 S12 | V8-D10 PolarHBondContact O-N 2.81Å; D10-S12 PolarHBondContact O-N 3.42Å | ||
| 11 | T | 30.5 | Very low | 32.4 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | trans | -73.5 | 106.8 | 164.3 | 50.1 | 0 | 0 | 0 | 0 | 107.9 | P9 S13 | P9-T11 PolarHBondContact O-N 2.79Å; T11-S13 PolarHBondContact O-N 3.33Å | ||
| 12 | S | 29 | Very low | 32.2 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | trans | -69.7 | 112.5 | 166.7 | 51.6 | 0 | 0 | 0 | 0 | 109.7 | D10 | D10-S12 PolarHBondContact O-N 3.42Š| ||
| 13 | S | 28.6 | Very low | 32 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | -121.5 | 112.2 | 152.6 | 55.5 | 0 | 0 | 0 | 0 | 108 | T11 | T11-S13 PolarHBondContact O-N 3.33Š| ||
| 14 | S | 29.5 | Very low | 31.9 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | trans | -60.7 | 136.5 | 170.9 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 15 | S | 27.3 | Very low | 31.2 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -154.6 | 106 | 144.3 | 56.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 16 | S | 29.6 | Very low | 30.6 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -70 | 137.1 | 160.8 | 39.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 17 | D | 27.3 | Very low | 30.4 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -171.4 | 113.5 | 136 | -88.9 | -32 | 0 | 0 | 0 | 107 | ||||
| 18 | S | 32.1 | Very low | 30 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | 72.4 | 102.7 | 86.9 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 19 | D | 27.6 | Very low | 29.7 | Very low | 172 Ų | 172 | 123.8 Ų | 123.8 | 92% | 0.92 | 79% | 0.79 | S | S | * | * | trans | -161.5 | 140.5 | 142.1 | -97.3 | -26.1 | 0 | 0 | 0 | 111.9 | ||||
| 20 | S | 32.3 | Very low | 29.5 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -91.8 | 172.6 | -168.3 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 21 | D | 29.2 | Very low | 29.5 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 111.5 | 119.5 | 141 | -68.5 | -17.9 | 0 | 0 | 0 | 120.6 | ||||
| 22 | S | 33.4 | Very low | 29.4 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | 97.2 | 104 | 133.1 | -61 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 23 | D | 27.4 | Very low | 29.3 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | 49.1 | 124.4 | 121.6 | -71.1 | -17.5 | 0 | 0 | 0 | 121 | |||||
| 24 | S | 31.9 | Very low | 29.3 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | -176.6 | 114.1 | 110.1 | -77.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 25 | S | 30 | Very low | 30.1 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 19.3 | 135 | 136.7 | 54.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 26 | G | 28.6 | Very low | 30.1 | Very low | 80 Ų | 80 | 126 Ų | 126 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 169.5 | 72.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 27 | T | 29.3 | Very low | 30 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -66.5 | 159.2 | 155 | 45.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 28 | S | 30.1 | Very low | 30 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | cis | -175.3 | 151.5 | 10.9 | 34.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 29 | L | 28.3 | Very low | 29.9 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 8.4 | 137.5 | 144.4 | -65.4 | 151.4 | 0 | 0 | 0 | 121.3 | ||||
| 30 | S | 28.1 | Very low | 29.9 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | -176.4 | 141.7 | 112.7 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 31 | E | 29.6 | Very low | 29.7 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -73.1 | 158.9 | 171 | -63.6 | 161 | 111.4 | 0 | 0 | 111.8 | ||||
| 32 | D | 27.6 | Very low | 29.6 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | 178.6 | 131.4 | 124.7 | -94.9 | -35.9 | 0 | 0 | 0 | 114.8 | |||||
| 33 | E | 27.6 | Very low | 29.4 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | 32.7 | 149.4 | 145.3 | -84.9 | -160.6 | 105.5 | 0 | 0 | 127.7 | ||||
| 34 | A | 28.8 | Very low | 30 | Very low | 86 Ų | 86 | 142.6 Ų | 142.6 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | -86.2 | -153.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 35 | P | 45.3 | Very low | 29.8 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | cis | -144.6 | -170.8 | -3.7 | 39 | -15.8 | 0 | 0 | 0 | 117.1 | ||||
| 36 | G | 27.2 | Very low | 29.7 | Very low | 73 Ų | 73 | 147.8 Ų | 147.8 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 111.2 | 141.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 37 | E | 28.3 | Very low | 29.6 | Very low | 193 Ų | 193 | 147.3 Ų | 147.3 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | cis | -171.7 | 149 | 0.8 | -146.6 | 178.7 | 139.5 | 0 | 0 | 109.9 | ||||
| 38 | A | 27.1 | Very low | 29.5 | Very low | 83 Ų | 83 | 146 Ų | 146 | 69% | 0.686 | 82% | 0.817 | S | S | * | * | trans | 32.1 | 132 | 152.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 39 | R | 29.7 | Very low | 29.3 | Very low | 253 Ų | 253 | 146.6 Ų | 146.6 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | -175.6 | 146.4 | 104.7 | -106.2 | 173.5 | 161.5 | -178.6 | -4.9 | 116.5 | |||||
| 40 | N | 28.3 | Very low | 29.3 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -57.4 | 159.3 | 179 | -98.2 | -30 | 0 | 0 | 0 | 117.7 | ||||
| 41 | G | 27 | Very low | 29.2 | Very low | 81 Ų | 81 | 144 Ų | 144 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 176 | 98 | 153 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 42 | R | 28.7 | Very low | 29.1 | Very low | 233 Ų | 233 | 143.8 Ų | 143.8 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -89.7 | 139.7 | 177.9 | -79.7 | 176.5 | 167.1 | -165.7 | -1.9 | 112.9 | ||||
| 43 | R | 27.6 | Very low | 29.1 | Very low | 236 Ų | 236 | 143.5 Ų | 143.5 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | 56 | 172.9 | 139 | -78.1 | -172 | 177.2 | -168.1 | 0.1 | 118.9 | ||||
| 44 | P | 40 | Very low | 29 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -132.7 | -158.9 | 6.6 | 20.5 | 8.2 | 0 | 0 | 0 | 111.7 | ||||
| 45 | A | 29 | Very low | 29.1 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | cis | -173.6 | 179 | -38.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 46 | R | 27.9 | Very low | 28.3 | Very low | 256 Ų | 256 | 144.2 Ų | 144.2 | 97% | 0.966 | 79% | 0.789 | S | S | * | * | trans | 81.2 | 136.8 | 165.1 | -66.3 | 175.9 | 149.8 | -163.9 | -6.3 | 116.6 | ||||
| 47 | G | 25.8 | Very low | 28.5 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 158.4 | 129.6 | 0.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 48 | S | 26.6 | Very low | 28.6 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 74 | 130.8 | 140.4 | -155.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 49 | S | 27.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 65.6 | 136.4 | 136.2 | 56.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 50 | G | 27.3 | Very low | 29 | Very low | 61 Ų | 61 | 146.9 Ų | 146.9 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | cis | 171.3 | 139.9 | 14.5 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 51 | E | 26.4 | Very low | 29.2 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | 72.7 | 131.9 | 124.1 | -87 | -169.1 | 111.1 | 0 | 0 | 118.6 | |||||
| 52 | K | 28.7 | Very low | 29.8 | Very low | 167 Ų | 167 | 154.5 Ų | 154.5 | 73% | 0.726 | 79% | 0.794 | S | S | * | * | trans | 74.6 | 149.4 | 150.8 | -69.2 | 173.6 | -175.9 | 173.4 | 0 | 116.8 | ||||
| 53 | E | 26.3 | Very low | 30.2 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | cis | -173.2 | 151.7 | -23.6 | -159.5 | 179.4 | 118.2 | 0 | 0 | 103.1 | ||||
| 54 | N | 26.4 | Very low | 30.4 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 56% | 0.561 | 78% | 0.782 | S | S | * | * | trans | 63.1 | 119.9 | 146.7 | -101.7 | -22.2 | 0 | 0 | 0 | 122.2 | ||||
| 55 | R | 29.6 | Very low | 30.4 | Very low | 235 Ų | 235 | 142.7 Ų | 142.7 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | 53.2 | 120.4 | 121.5 | -79 | 176.7 | -178.2 | 180 | -1.4 | 118.2 | |||||
| 56 | G | 28.5 | Very low | 30.5 | Very low | 77 Ų | 77 | 142.8 Ų | 142.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 175.2 | 83.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 57 | G | 31.3 | Very low | 31 | Very low | 74 Ų | 74 | 133.9 Ų | 133.9 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -63.5 | 147.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 58 | R | 31.2 | Very low | 31.8 | Very low | 254 Ų | 254 | 137 Ų | 137 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | trans | -167 | 146.6 | 137.5 | -106.6 | 164 | 179.3 | -152.6 | -0.8 | 111.4 | ||||
| 59 | R | 29.4 | Very low | 32.4 | Very low | 241 Ų | 241 | 140 Ų | 140 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -66.2 | 151.5 | -172.4 | -78.7 | 171 | 160.4 | -176.8 | -6.1 | 113.2 | ||||
| 60 | A | 35.3 | Very low | 33.1 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | 61.2 | 123.5 | 135.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 61 | I | 32.2 | Very low | 33.8 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | -156.1 | 126.4 | 125.5 | -82.6 | 128.2 | 0 | 0 | 0 | 106.5 | |||||
| 62 | R | 40.4 | Very low | 34.5 | Very low | 245 Ų | 245 | 148.7 Ų | 148.7 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | -85.1 | 137.7 | 161.2 | -82.1 | -178.9 | 161.7 | -170.5 | -4.9 | 108 | ||||
| 63 | P | 37 | Very low | 35.2 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -120.5 | 142 | 133.1 | 19.6 | -0.8 | 0 | 0 | 0 | 108 | ||||
| 64 | G | 32.7 | Very low | 36.6 | Very low | 72 Ų | 72 | 147.5 Ų | 147.5 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | 98.6 | 96.1 | 64.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 65 | T | 39 | Very low | 37.9 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 93% | 0.933 | 83% | 0.832 | S | S | * | * | trans | -29 | 136.8 | 172.2 | 37.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 66 | G | 32.4 | Very low | 39.1 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | 147.4 | 109.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 67 | G | 37 | Very low | 40.3 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | 120.1 | 137.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 68 | P | 42.1 | Very low | 41.5 | Very low | 133 Ų | 133 | 143 Ų | 143 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 126 | -157.2 | 33 | -32.8 | 0 | 0 | 0 | 113.1 | ||
| 69 | L | 39.9 | Very low | 43 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85 | 121.9 | 166.4 | -72.6 | 170.1 | 0 | 0 | 0 | 109.2 | S71 | L69-S71 PolarHBondContact O-N 3.04Š|
| 70 | L | 43 | Very low | 44.5 | Very low | 176 Ų | 176 | 130.6 Ų | 130.6 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 117.6 | 171.3 | -63.6 | 162.6 | 0 | 0 | 0 | 109.6 | W72 | L70-W72 PolarHBondContact O-N 3.12Š|
| 71 | S | 41.2 | Very low | 45.1 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 118.2 | -179.1 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | L69 | L69-S71 PolarHBondContact O-N 3.04Š|
| 72 | W | 41.6 | Very low | 45.8 | Very low | 234 Ų | 234 | 135 Ų | 135 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 136.6 | 167.2 | -147 | -83 | 0 | 0 | 0 | 109.3 | L70 L74 | L70-W72 PolarHBondContact O-N 3.12Å; W72-L74 PolarHBondContact O-N 3.36Å |
| 73 | P | 43.6 | Very low | 46.2 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128.5 | 178.2 | -17.8 | 29.1 | 0 | 0 | 0 | 110.3 | G75 | P73-G75 PolarHBondContact O-N 2.92Š|
| 74 | L | 54.1 | Low | 46.6 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -57.7 | 110.1 | 169.8 | -72.7 | 160.8 | 0 | 0 | 0 | 108.5 | W72 | W72-L74 PolarHBondContact O-N 3.36Š| ||
| 75 | G | 54.2 | Low | 46.9 | Very low | 58 Ų | 58 | 136.3 Ų | 136.3 | 60% | 0.598 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 152 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P73 A77 | P73-G75 PolarHBondContact O-N 2.92Å; G75-A77 PolarHBondContact O-N 2.72Å |
| 76 | P | 54.8 | Low | 47 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 133.2 | -175.1 | 21.4 | -30.9 | 0 | 0 | 0 | 111 | ||
| 77 | A | 54.7 | Low | 47.5 | Very low | 88 Ų | 88 | 143.7 Ų | 143.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 141 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G75 | G75-A77 PolarHBondContact O-N 2.72Š|
| 78 | P | 56.3 | Low | 47.9 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 143.7 | 176.2 | 24.3 | -32.6 | 0 | 0 | 0 | 110 | ||
| 79 | P | 62.4 | Low | 48.5 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 148.8 | -178.2 | 23.9 | -33.2 | 0 | 0 | 0 | 110.9 | R81 | P79-R81 PolarHBondContact O-N 3.13Š|
| 80 | P | 59.7 | Low | 49.3 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 135.1 | 179.1 | 23 | -32.3 | 0 | 0 | 0 | 109.9 | ||
| 81 | R | 49.3 | Very low | 50 | Low | 234 Ų | 234 | 138.9 Ų | 138.9 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -53 | 131.6 | 174.6 | -69.2 | 179.9 | -127.3 | -114.9 | -1.1 | 108.1 | P79 | P79-R81 PolarHBondContact O-N 3.13Š|
| 82 | P | 46.2 | Very low | 50.8 | Low | 109 Ų | 109 | 136.8 Ų | 136.8 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 143.8 | 176.5 | 21.9 | -31.1 | 0 | 0 | 0 | 109.3 | Q84 | P82-Q84 PolarHBondContact O-N 3.19Š|
| 83 | P | 49.2 | Very low | 51.5 | Low | 124 Ų | 124 | 127.8 Ų | 127.8 | 81% | 0.805 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 118.6 | -177.8 | 19.3 | -30.5 | 0 | 0 | 0 | 108.9 | L85 | P83-L85 PolarHBondContact O-N 2.62Š|
| 84 | Q | 44.4 | Very low | 52.1 | Low | 182 Ų | 182 | 127 Ų | 127 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | trans | -63.8 | 107.1 | -174.6 | -161.4 | 166.5 | -7.5 | 0 | 0 | 107.1 | P82 E86 | P82-Q84 PolarHBondContact O-N 3.19Å; Q84-E86 PolarHBondContact O-N 3.05Å | ||
| 85 | L | 40.4 | Very low | 52.2 | Low | 158 Ų | 158 | 129.6 Ų | 129.6 | 83% | 0.827 | 69% | 0.689 | S | S | * | * | trans | -56.7 | 110.8 | 174.2 | -130.9 | 92.6 | 0 | 0 | 0 | 106.7 | P83 R87 | P83-L85 PolarHBondContact O-N 2.62Å; L85-R87 VanDerWaalsContact C-N 3.35Å; L85-R87 PolarHBondContact O-N 3.04Å | ||
| 86 | E | 39.5 | Very low | 52.1 | Low | 160 Ų | 160 | 130.6 Ų | 130.6 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | trans | -47.9 | 100 | 173.6 | -83.4 | -86.1 | 145.5 | 0 | 0 | 107.9 | Q84 H88 | Q84-E86 PolarHBondContact O-N 3.05Å; E86-H88 PolarHBondContact O-N 3.41Å; E86-H88 PolarHBondContact O-ND1 3.44Å | ||
| 87 | R | 43.3 | Very low | 52.4 | Low | 232 Ų | 232 | 125.7 Ų | 125.7 | 88% | 0.875 | 66% | 0.655 | S | S | * | * | trans | -68.1 | 88.2 | 175.5 | -72.2 | 177 | 86.2 | -170.2 | 8.5 | 105.3 | L85 V89 | L85-R87 VanDerWaalsContact C-N 3.35Å; L85-R87 PolarHBondContact O-N 3.04Å; R87-V89 WeakPolarHBondContact O-CG2 3.46Å; R87-V89 PolarHBondContact O-N 3.05Å | ||
| 88 | H | 46.7 | Very low | 52.7 | Low | 150 Ų | 150 | 129.2 Ų | 129.2 | 69% | 0.694 | 66% | 0.657 | S | S | * | * | trans | -54.7 | 103.1 | 177.2 | -78.3 | 67.2 | 0 | 0 | 0 | 107.9 | E86 V90 | E86-H88 PolarHBondContact O-N 3.41Å; E86-H88 PolarHBondContact O-ND1 3.44Å; H88-V90 VanDerWaalsContact C-N 3.26Å; H88-V90 PolarHBondContact O-N 3.11Å | ||
| 89 | V | 54.4 | Low | 53.4 | Low | 100 Ų | 100 | 125.4 Ų | 125.4 | 61% | 0.606 | 63% | 0.632 | S | S | * | * | trans | -73.2 | 89.3 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 106.3 | R87 R91 | R87-V89 WeakPolarHBondContact O-CG2 3.46Å; R87-V89 PolarHBondContact O-N 3.05Å; V89-R91 HydrophobicContact CG1-CG 4.1Å; V89-R91 PolarHBondContact O-N 2.83Å | ||
| 90 | V | 56.6 | Low | 54.1 | Low | 7 Ų | 7 | 125.2 Ų | 125.2 | 4% | 0.042 | 63% | 0.625 | C | S | . | * | trans | -70.3 | 99.4 | 173.3 | -175 | 0 | 0 | 0 | 0 | 107.5 | H88 V169 R170 W190 R194 | H88-V90 VanDerWaalsContact C-N 3.26Å; H88-V90 PolarHBondContact O-N 3.11Å; V90-V169 HydrophobicContact CG1-CB 4.33Å; V90-V169 HydrophobicContact CG1-CG1 4.01Å; V90-R170 HydrophobicContact CG1-CG 4.04Å; V90-W190 HydrophobicContact CB-CH2 4.33Å; V90-W190 HydrophobicContact CB-CZ2 4.23Å; V90-W190 HydrophobicContact CG2-CH2 4.41Å; V90-W190 HydrophobicContact CG2-CZ2 4.28Å; V90-R194 PolarHBondContact O-NH1 3.21Å | ||
| 91 | R | 57.8 | Low | 55.2 | Low | 195 Ų | 195 | 121.4 Ų | 121.4 | 74% | 0.736 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 144.3 | 170 | -62.5 | -175.4 | -173.9 | -179.2 | 1.8 | 108.9 | V89 | V89-R91 HydrophobicContact CG1-CG 4.1Å; V89-R91 PolarHBondContact O-N 2.83Å |
| 92 | P | 58 | Low | 56.9 | Low | 70 Ų | 70 | 111.1 Ų | 111.1 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 137.9 | 166.7 | -19.1 | 30.2 | 0 | 0 | 0 | 108.8 | Q172 | P92-Q172 HydrophobicContact CB-CG 4.46Š|
| 93 | P | 55.2 | Low | 58.8 | Low | 45 Ų | 45 | 109.2 Ų | 109.2 | 29% | 0.292 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 144.8 | 178.1 | 23.1 | -32.1 | 0 | 0 | 0 | 109.9 | R170 | P93-R170 WeakPolarHBondContact CD-O 3.32Å; P93-R170 WeakPolarHBondContact CG-O 3.41Å |
| 94 | P | 56.5 | Low | 60.5 | Low | 95 Ų | 95 | 106.6 Ų | 106.6 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 149.3 | 172.3 | 21.8 | -30.8 | 0 | 0 | 0 | 110 | S96 | P94-S96 PolarHBondContact O-N 2.93Š|
| 95 | R | 55.5 | Low | 62.2 | Low | 229 Ų | 229 | 103.6 Ų | 103.6 | 86% | 0.864 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -59.3 | -13.9 | -172.3 | -69.8 | -177.1 | 173.9 | -136.6 | 1.7 | 113.9 | ||
| 96 | S | 52.2 | Low | 64.2 | Low | 79 Ų | 79 | 100.5 Ų | 100.5 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -152.6 | 101.5 | 176 | 49.3 | 0 | 0 | 0 | 0 | 109.5 | P94 E98 | P94-S96 PolarHBondContact O-N 2.93Å; S96-E98 PolarHBondContact O-N 3.14Å |
| 97 | P | 61.7 | Low | 66.2 | Low | 31 Ų | 31 | 96.5 Ų | 96.5 | 20% | 0.201 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 119.7 | 168.3 | 28.7 | -28.8 | 0 | 0 | 0 | 108.8 | R141 | P97-R141 HydrophobicContact CB-CB 4.2Å; P97-R141 HydrophobicContact CG-CB 4.1Å |
| 98 | E | 61.2 | Low | 68.1 | Low | 163 Ų | 163 | 88.4 Ų | 88.4 | 76% | 0.762 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -51 | 147.5 | 162.9 | -64.3 | 174.1 | 171.5 | 0 | 0 | 110.1 | S96 R141 | S96-E98 PolarHBondContact O-N 3.14Å; E98-R141 PolarHBondContact O-NH1 3.01Å |
| 99 | P | 70.2 | Confident | 70 | Confident | 35 Ų | 35 | 85.5 Ų | 85.5 | 23% | 0.227 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | cis | -92.2 | 160.7 | 3 | 33.3 | -33.7 | 0 | 0 | 0 | 115.2 | T101 T138 W142 | P99-T101 VanDerWaalsContact C-N 3.32Å; P99-T101 WeakPolarHBondContact CB-O 3.21Å; P99-T101 VanDerWaalsContact CG-O 3.23Å; P99-T101 WeakPolarHBondContact CG-O 3.26Å; P99-T138 HydrophobicContact CG-CG2 3.96Å; P99-W142 WeakPolarHBondContact O-CZ2 3.47Å; P99-W142 PolarHBondContact O-NE1 3.23Å |
| 100 | D | 78.6 | Confident | 71.7 | Confident | 109 Ų | 109 | 82.9 Ų | 82.9 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -81 | -10.7 | 175 | -83.9 | -29.8 | 0 | 0 | 0 | 113.8 | P113 R114 | D100-P113 CarbonylContact O-C 3.6Å; D100-R114 VanDerWaalsContact O-CB 3.26Å; D100-R114 WeakPolarHBondContact O-CB 3.4Å; D100-R114 PolarHBondContact O-N 3.09Å |
| 101 | T | 81.8 | Confident | 73.2 | Confident | 42 Ų | 42 | 88.1 Ų | 88.1 | 26% | 0.258 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -126.9 | 158.8 | 177 | 43.9 | 0 | 0 | 0 | 0 | 109.1 | P99 P103 D109 | P99-T101 VanDerWaalsContact C-N 3.32Å; P99-T101 WeakPolarHBondContact CB-O 3.21Å; P99-T101 VanDerWaalsContact CG-O 3.23Å; P99-T101 WeakPolarHBondContact CG-O 3.26Å; T101-P103 VanDerWaalsContact O-CD 3.29Å; T101-P103 WeakPolarHBondContact O-CD 3.41Å; T101-D109 WeakPolarHBondContact CB-OD2 3.45Å; T101-D109 HydrophobicContact CG2-CB 4.39Å; T101-D109 PolarHBondContact OG1-OD2 3.2Å |
| 102 | L | 86.2 | Confident | 74.7 | Confident | 19 Ų | 19 | 82.3 Ų | 82.3 | 10% | 0.099 | 50% | 0.5 | C | S | . | . | trans | -91.9 | 111.2 | 178.4 | 175.4 | 71.6 | 0 | 0 | 0 | 108.9 | L104 H110 W117 T138 W142 | L102-L104 PolarHBondContact O-N 3.41Å; L102-H110 HydrophobicContact CB-CB 3.72Å; L102-H110 HydrophobicContact CD2-CB 4.31Å; L102-H110 HydrophobicContact CG-CB 4.37Å; L102-H110 VanDerWaalsContact O-CB 3.32Å; L102-H110 WeakPolarHBondContact O-CB 3.23Å; L102-H110 PolarHBondContact O-N 3.02Å; L102-W117 HydrophobicContact CD2-CZ2 4.33Å; L102-T138 HydrophobicContact CD1-CG2 3.82Å; L102-W142 HydrophobicContact CB-CH2 3.84Å; L102-W142 HydrophobicContact CB-CZ3 4.21Å | ||
| 103 | P | 84.5 | Confident | 76.3 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 131.6 | 177.1 | 26.1 | -33.8 | 0 | 0 | 0 | 110.6 | T101 D109 | T101-P103 VanDerWaalsContact O-CD 3.29Å; T101-P103 WeakPolarHBondContact O-CD 3.41Å; P103-D109 WeakPolarHBondContact CA-OD1 3.29Å |
| 104 | L | 85.8 | Confident | 77.9 | Confident | 69 Ų | 69 | 81.6 Ų | 81.6 | 36% | 0.361 | 49% | 0.491 | S | S | . | . | trans | -95.3 | 157.3 | 176.6 | -56 | 175 | 0 | 0 | 0 | 110.4 | L102 A106 G107 S108 H110 | L102-L104 PolarHBondContact O-N 3.41Å; L104-A106 PolarHBondContact O-N 2.84Å; L104-A106 VanDerWaalsContact O-N 3.12Å; L104-G107 PolarHBondContact O-N 3.5Å; L104-S108 WeakPolarHBondContact CA-O 3.38Å; L104-S108 WeakPolarHBondContact CB-O 3.42Å; L104-S108 PolarHBondContact N-O 2.96Å; L104-H110 HydrophobicContact CD2-CB 4.2Å; L104-H110 HydrophobicContact CG-CB 4.37Å | ||
| 105 | A | 80.9 | Confident | 79.5 | Confident | 119 Ų | 119 | 80 Ų | 80 | 98% | 0.983 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G107 | A105-G107 PolarHBondContact O-N 2.99Š|
| 106 | A | 81.1 | Confident | 81.3 | Confident | 93 Ų | 93 | 69.9 Ų | 69.9 | 77% | 0.769 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 2.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L104 S108 | L104-A106 PolarHBondContact O-N 2.84Å; L104-A106 VanDerWaalsContact O-N 3.12Å; A106-S108 VanDerWaalsContact C-N 3.27Å; A106-S108 PolarHBondContact O-N 3.3Å |
| 107 | G | 81.4 | Confident | 83.2 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 77% | 0.773 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 82.6 | -3.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L104 A105 | L104-G107 PolarHBondContact O-N 3.5Å; A105-G107 PolarHBondContact O-N 2.99Å |
| 108 | S | 84.6 | Confident | 84.7 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 158.5 | 170.6 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | L104 A106 | L104-S108 WeakPolarHBondContact CA-O 3.38Å; L104-S108 WeakPolarHBondContact CB-O 3.42Å; L104-S108 PolarHBondContact N-O 2.96Å; A106-S108 VanDerWaalsContact C-N 3.27Å; A106-S108 PolarHBondContact O-N 3.3Å |
| 109 | D | 86.4 | Confident | 86.2 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | B | Isolated β-bridge | trans | -92.5 | 144.6 | 173.8 | -82.4 | -15.1 | 0 | 0 | 0 | 111.5 | T101 P103 | T101-D109 WeakPolarHBondContact CB-OD2 3.45Å; T101-D109 HydrophobicContact CG2-CB 4.39Å; T101-D109 PolarHBondContact OG1-OD2 3.2Å; P103-D109 WeakPolarHBondContact CA-OD1 3.29Å |
| 110 | H | 88.6 | Confident | 87.4 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 21% | 0.208 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 136.7 | 172.4 | -169.2 | -80.7 | 0 | 0 | 0 | 110.2 | L102 L104 L112 W117 | L102-H110 HydrophobicContact CB-CB 3.72Å; L102-H110 HydrophobicContact CD2-CB 4.31Å; L102-H110 HydrophobicContact CG-CB 4.37Å; L102-H110 VanDerWaalsContact O-CB 3.32Å; L102-H110 WeakPolarHBondContact O-CB 3.23Å; L102-H110 PolarHBondContact O-N 3.02Å; L104-H110 HydrophobicContact CD2-CB 4.2Å; L104-H110 HydrophobicContact CG-CB 4.37Å; H110-L112 VanDerWaalsContact C-N 3.25Å; H110-L112 WeakPolarHBondContact ND1-CB 3.33Å; H110-L112 PolarHBondContact ND1-N 3.43Å; H110-L112 PolarHBondContact O-N 3.28Å; H110-W117 AromaticContact CE1-CZ2 3.62Å; H110-W117 AromaticContact ND1-CZ2 3.92Å; H110-W117 AromaticContact ND1-NE1 3.67Å; H110-W117 AromaticContact NE2-CZ2 3.77Å |
| 111 | P | 89 | Confident | 88.2 | Confident | 116 Ų | 116 | 63.4 Ų | 63.4 | 75% | 0.753 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -65 | -28.1 | -173.9 | 24.9 | -35.8 | 0 | 0 | 0 | 113.5 | P113 | P111-P113 WeakPolarHBondContact O-CD 3.46Š|
| 112 | L | 89.9 | Confident | 88.8 | Confident | 74 Ų | 74 | 67 Ų | 67 | 39% | 0.387 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -74.9 | 123.4 | 175.9 | -63.5 | 178.4 | 0 | 0 | 0 | 111.9 | H110 A116 W117 | H110-L112 VanDerWaalsContact C-N 3.25Å; H110-L112 WeakPolarHBondContact ND1-CB 3.33Å; H110-L112 PolarHBondContact ND1-N 3.43Å; H110-L112 PolarHBondContact O-N 3.28Å; L112-A116 HydrophobicContact CB-CB 4.28Å; L112-A116 HydrophobicContact CD2-CB 4.26Å; L112-W117 HydrophobicContact CD1-CZ2 4.38Å; L112-W117 PolarHBondContact O-NE1 3.29Å |
| 113 | P | 90.5 | Very high | 89.3 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 44% | 0.435 | 44% | 0.444 | S | S | . | . | trans | -73 | 163.3 | 174.7 | 31.7 | -35.9 | 0 | 0 | 0 | 111.3 | D100 P111 A115 A116 W117 | D100-P113 CarbonylContact O-C 3.6Å; P111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-A115 PolarHBondContact O-N 3.33Å; P113-A115 VanDerWaalsContact O-N 3.13Å; P113-A116 HydrophobicContact CG-CB 4.21Å; P113-A116 WeakPolarHBondContact O-CB 3.39Å; P113-A116 PolarHBondContact O-N 2.82Å; P113-W117 PolarHBondContact O-N 3.39Å | ||
| 114 | R | 89.5 | Confident | 89.8 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 12% | 0.121 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -48.6 | -41.9 | 176.9 | 176.1 | 179.5 | -178.5 | -89.8 | -9.1 | 112.5 | D100 A116 W117 L118 W142 D145 | D100-R114 VanDerWaalsContact O-CB 3.26Å; D100-R114 WeakPolarHBondContact O-CB 3.4Å; D100-R114 PolarHBondContact O-N 3.09Å; R114-A116 VanDerWaalsContact C-N 3.29Å; R114-A116 PolarHBondContact O-N 2.97Å; R114-W117 PolarHBondContact O-N 3.41Å; R114-L118 HydrophobicContact CG-CD1 4.3Å; R114-L118 HydrophobicContact CG-CG 4.3Å; R114-L118 WeakPolarHBondContact O-CG 3.31Å; R114-L118 PolarHBondContact O-N 2.69Å; R114-W142 HydrophobicContact CB-CH2 4.32Å; R114-W142 HydrophobicContact CB-CZ2 3.79Å; R114-W142 HydrophobicContact CG-CD2 4.08Å; R114-W142 HydrophobicContact CG-CG 4.25Å; R114-W142 HydrophobicContact CG-CZ2 4.17Å; R114-D145 IonicContact CZ-OD2 3.86Å; R114-D145 IonicContact NH1-OD2 3.04Å; R114-D145 IonicContact NH2-OD2 2.68Å; R114-D145 PolarHBondContact NH2-OD2 2.98Å |
| 115 | A | 89.9 | Confident | 90.1 | Very high | 62 Ų | 62 | 70.9 Ų | 70.9 | 51% | 0.512 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61 | -37 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P113 R119 | P113-A115 PolarHBondContact O-N 3.33Å; P113-A115 VanDerWaalsContact O-N 3.13Å; A115-R119 WeakPolarHBondContact O-CG 3.29Å; A115-R119 PolarHBondContact O-N 2.92Å; A115-R119 VanDerWaalsContact O-N 3.11Å |
| 116 | A | 92.5 | Very high | 90.6 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 13% | 0.132 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.2 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L112 P113 R114 R119 V120 | L112-A116 HydrophobicContact CB-CB 4.28Å; L112-A116 HydrophobicContact CD2-CB 4.26Å; P113-A116 HydrophobicContact CG-CB 4.21Å; P113-A116 WeakPolarHBondContact O-CB 3.39Å; P113-A116 PolarHBondContact O-N 2.82Å; R114-A116 VanDerWaalsContact C-N 3.29Å; R114-A116 PolarHBondContact O-N 2.97Å; A116-R119 CarbonylContact O-C 3.57Å; A116-R119 WeakPolarHBondContact O-CA 3.33Å; A116-R119 WeakPolarHBondContact O-CB 3.47Å; A116-R119 PolarHBondContact O-N 3.14Å; A116-V120 PolarHBondContact O-N 2.89Å |
| 117 | W | 92.9 | Very high | 91.1 | Very high | 33 Ų | 33 | 70.5 Ų | 70.5 | 13% | 0.125 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.4 | -78 | 108.3 | 0 | 0 | 0 | 113.2 | L102 H110 L112 P113 R114 R119 V120 F121 W139 W142 | L102-W117 HydrophobicContact CD2-CZ2 4.33Å; H110-W117 AromaticContact CE1-CZ2 3.62Å; H110-W117 AromaticContact ND1-CZ2 3.92Å; H110-W117 AromaticContact ND1-NE1 3.67Å; H110-W117 AromaticContact NE2-CZ2 3.77Å; L112-W117 HydrophobicContact CD1-CZ2 4.38Å; L112-W117 PolarHBondContact O-NE1 3.29Å; P113-W117 PolarHBondContact O-N 3.39Å; R114-W117 PolarHBondContact O-N 3.41Å; W117-R119 PolarHBondContact O-N 3.2Å; W117-V120 WeakPolarHBondContact O-CA 3.43Å; W117-V120 WeakPolarHBondContact O-CB 3.46Å; W117-V120 PolarHBondContact O-N 3.11Å; W117-F121 HydrophobicContact CB-CE2 4.17Å; W117-F121 HydrophobicContact CB-CZ 4.46Å; W117-F121 HydrophobicContact CE3-CE1 4.17Å; W117-F121 HydrophobicContact CE3-CZ 4.12Å; W117-F121 WeakPolarHBondContact O-CD2 3.03Å; W117-F121 VanDerWaalsContact O-CG 3.29Å; W117-F121 WeakPolarHBondContact O-CG 3.44Å; W117-F121 PolarHBondContact O-N 3.1Å; W117-W139 AromaticContact CE3-CZ2 3.99Å; W117-W139 HydrophobicContact CE3-CZ2 3.99Å; W117-W139 HydrophobicContact CH2-CH2 4.44Å; W117-W139 AromaticContact CH2-CZ2 3.58Å; W117-W139 HydrophobicContact CH2-CZ2 3.58Å; W117-W139 HydrophobicContact CZ2-CZ2 4.34Å; W117-W139 HydrophobicContact CZ3-CH2 4.03Å; W117-W139 AromaticContact CZ3-CZ2 3.36Å; W117-W139 HydrophobicContact CZ3-CZ2 3.36Å; W117-W142 HydrophobicContact CB-CE3 3.86Å; W117-W142 HydrophobicContact CB-CZ3 3.68Å; W117-W142 AromaticContact CD1-CH2 3.75Å; W117-W142 AromaticContact CD1-CZ3 3.31Å; W117-W142 HydrophobicContact CD2-CZ3 4.28Å; W117-W142 HydrophobicContact CG-CE3 4.11Å; W117-W142 HydrophobicContact CG-CH2 4.32Å; W117-W142 AromaticContact CG-CZ3 3.47Å; W117-W142 HydrophobicContact CG-CZ3 3.47Å; W117-W142 VanDerWaalsContact CG-CZ3 3.47Å; W117-W142 AromaticContact NE1-CZ3 3.96Å |
| 118 | L | 92.6 | Very high | 91.8 | Very high | 15 Ų | 15 | 71.8 Ų | 71.8 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.9 | -33.9 | 172.2 | -70.9 | -178.7 | 0 | 0 | 0 | 111.3 | R114 V120 F121 Q122 D145 L148 | R114-L118 HydrophobicContact CG-CD1 4.3Å; R114-L118 HydrophobicContact CG-CG 4.3Å; R114-L118 WeakPolarHBondContact O-CG 3.31Å; R114-L118 PolarHBondContact O-N 2.69Å; L118-V120 VanDerWaalsContact C-N 3.3Å; L118-V120 PolarHBondContact O-N 3.38Å; L118-F121 HydrophobicContact CD2-CD2 4.32Å; L118-F121 PolarHBondContact O-N 3.38Å; L118-Q122 VanDerWaalsContact O-CG 3.31Å; L118-Q122 WeakPolarHBondContact O-CG 3.39Å; L118-Q122 PolarHBondContact O-N 3.09Å; L118-D145 HydrophobicContact CD2-CB 3.92Å; L118-L148 HydrophobicContact CD2-CD1 4.02Å; L118-L148 HydrophobicContact CD2-CG 4.47Å |
| 119 | R | 93.6 | Very high | 92.2 | Very high | 161 Ų | 161 | 69 Ų | 69 | 61% | 0.608 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.7 | -25.7 | 173.6 | -77.4 | -158.8 | -87.2 | 116.2 | -8.8 | 114.2 | A115 A116 W117 Q122 H123 | A115-R119 WeakPolarHBondContact O-CG 3.29Å; A115-R119 PolarHBondContact O-N 2.92Å; A115-R119 VanDerWaalsContact O-N 3.11Å; A116-R119 CarbonylContact O-C 3.57Å; A116-R119 WeakPolarHBondContact O-CA 3.33Å; A116-R119 WeakPolarHBondContact O-CB 3.47Å; A116-R119 PolarHBondContact O-N 3.14Å; W117-R119 PolarHBondContact O-N 3.2Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-Q122 PolarHBondContact O-NE2 2.94Å; R119-H123 PolarHBondContact O-CD2 2.93Å |
| 120 | V | 94.7 | Very high | 92.5 | Very high | 71 Ų | 71 | 65.7 Ų | 65.7 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -77.2 | -49.4 | 169.6 | 177.2 | 0 | 0 | 0 | 0 | 110 | A116 W117 L118 Q122 H123 | A116-V120 PolarHBondContact O-N 2.89Å; W117-V120 WeakPolarHBondContact O-CA 3.43Å; W117-V120 WeakPolarHBondContact O-CB 3.46Å; W117-V120 PolarHBondContact O-N 3.11Å; L118-V120 VanDerWaalsContact C-N 3.3Å; L118-V120 PolarHBondContact O-N 3.38Å; V120-Q122 VanDerWaalsContact C-N 3.26Å; V120-Q122 PolarHBondContact O-N 3.23Å; V120-H123 WeakPolarHBondContact O-CB 3.26Å; V120-H123 PolarHBondContact O-N 3.49Å |
| 121 | F | 95.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.009 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.2 | -28.9 | -176.7 | -64.5 | -27.1 | 0 | 0 | 0 | 114 | W117 L118 H123 L124 L129 C132 W139 W142 L148 | W117-F121 HydrophobicContact CB-CE2 4.17Å; W117-F121 HydrophobicContact CB-CZ 4.46Å; W117-F121 HydrophobicContact CE3-CE1 4.17Å; W117-F121 HydrophobicContact CE3-CZ 4.12Å; W117-F121 WeakPolarHBondContact O-CD2 3.03Å; W117-F121 VanDerWaalsContact O-CG 3.29Å; W117-F121 WeakPolarHBondContact O-CG 3.44Å; W117-F121 PolarHBondContact O-N 3.1Å; L118-F121 HydrophobicContact CD2-CD2 4.32Å; L118-F121 PolarHBondContact O-N 3.38Å; F121-H123 PolarHBondContact O-N 2.78Å; F121-L124 HydrophobicContact CD1-CD1 3.86Å; F121-L124 WeakPolarHBondContact O-CB 3.49Å; F121-L124 PolarHBondContact O-N 2.84Å; F121-L129 HydrophobicContact CB-CD2 3.82Å; F121-L129 HydrophobicContact CG-CD2 4.32Å; F121-C132 HydrophobicContact CE1-CB 4.48Å; F121-W139 HydrophobicContact CE1-CD2 4.22Å; F121-W139 HydrophobicContact CE1-CE3 4.17Å; F121-W139 HydrophobicContact CE1-CZ3 4.31Å; F121-W139 AromaticContact CZ-CD2 3.79Å; F121-W139 HydrophobicContact CZ-CD2 3.79Å; F121-W139 AromaticContact CZ-CE2 3.99Å; F121-W139 HydrophobicContact CZ-CE3 4.16Å; F121-W139 AromaticContact CZ-CG 3.97Å; F121-W139 HydrophobicContact CZ-CG 3.97Å; F121-W142 HydrophobicContact CE2-CB 4.05Å; F121-W142 HydrophobicContact CE2-CE3 4.1Å; F121-L148 HydrophobicContact CB-CD1 3.98Å; F121-L148 HydrophobicContact CB-CD2 3.8Å; F121-L148 HydrophobicContact CD2-CD1 4.36Å |
| 122 | Q | 94.8 | Very high | 93.1 | Very high | 118 Ų | 118 | 63 Ų | 63 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14 | 175 | 58.2 | -178.8 | 6.9 | 0 | 0 | 113.9 | L118 R119 V120 L148 | L118-Q122 VanDerWaalsContact O-CG 3.31Å; L118-Q122 WeakPolarHBondContact O-CG 3.39Å; L118-Q122 PolarHBondContact O-N 3.09Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-Q122 PolarHBondContact O-NE2 2.94Å; V120-Q122 VanDerWaalsContact C-N 3.26Å; V120-Q122 PolarHBondContact O-N 3.23Å; Q122-L148 HydrophobicContact CB-CD2 4.2Å |
| 123 | H | 95.6 | Very high | 93.3 | Very high | 157 Ų | 157 | 60.1 Ų | 60.1 | 73% | 0.727 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -7.3 | 170.6 | -65.6 | -74.9 | 0 | 0 | 0 | 113.3 | R119 V120 F121 | R119-H123 PolarHBondContact O-CD2 2.93Å; V120-H123 WeakPolarHBondContact O-CB 3.26Å; V120-H123 PolarHBondContact O-N 3.49Å; F121-H123 PolarHBondContact O-N 2.78Å |
| 124 | L | 95.1 | Very high | 93.4 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -94.2 | 143.7 | -177.8 | -58.2 | -178.9 | 0 | 0 | 0 | 111.6 | F121 E128 L129 C132 | F121-L124 HydrophobicContact CD1-CD1 3.86Å; F121-L124 WeakPolarHBondContact O-CB 3.49Å; F121-L124 PolarHBondContact O-N 2.84Å; L124-E128 VanDerWaalsContact CA-OE2 3.31Å; L124-E128 WeakPolarHBondContact CA-OE2 3.39Å; L124-E128 HydrophobicContact CB-CB 4Å; L124-E128 HydrophobicContact CD2-CB 4.39Å; L124-L129 HydrophobicContact CB-CD2 3.97Å; L124-L129 HydrophobicContact CB-CG 4.04Å; L124-L129 HydrophobicContact CD1-CD2 4.27Å; L124-C132 VanDerWaalsContact CD1-SG 3.51Å |
| 125 | G | 92.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 68.3 Ų | 68.3 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | trans | -74.4 | 164.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R127 E128 L129 | G125-R127 PolarHBondContact O-N 2.93Å; G125-R127 VanDerWaalsContact O-N 3.1Å; G125-E128 PolarHBondContact N-OE2 3.48Å; G125-E128 PolarHBondContact O-N 3.22Å; G125-E128 VanDerWaalsContact O-N 3.1Å; G125-L129 WeakPolarHBondContact O-CG 3.39Å; G125-L129 PolarHBondContact O-N 3.24Å | ||
| 126 | P | 91.5 | Very high | 93.6 | Very high | 69 Ų | 69 | 67.6 Ų | 67.6 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -52 | -35.5 | 178 | -31.3 | 37.6 | 0 | 0 | 0 | 114.9 | L5 C130 W149 | L5-P126 HydrophobicContact CD1-CB 4.14Å; P126-C130 PolarHBondContact O-N 3.08Å; P126-C130 PolarHBondContact O-SG 3.28Å; P126-W149 HydrophobicContact CB-CH2 4.23Å; P126-W149 HydrophobicContact CB-CZ3 3.73Å; P126-W149 WeakPolarHBondContact O-CH2 3.41Å |
| 127 | R | 91.4 | Very high | 93.4 | Very high | 136 Ų | 136 | 77 Ų | 77 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.7 | -47.8 | 178.5 | -72.4 | -178.7 | 170.9 | 178.9 | -3.4 | 111.6 | L5 G125 C130 V131 | L5-R127 HydrophobicContact CB-CG 3.91Å; L5-R127 HydrophobicContact CD1-CG 4.09Å; L5-R127 PolarHBondContact O-NE 3.14Å; L5-R127 VanDerWaalsContact O-NE 3.1Å; L5-R127 PolarHBondContact O-NH2 3.1Å; G125-R127 PolarHBondContact O-N 2.93Å; G125-R127 VanDerWaalsContact O-N 3.1Å; R127-C130 WeakPolarHBondContact O-CB 3.46Å; R127-C130 PolarHBondContact O-N 3.1Å; R127-C130 VanDerWaalsContact O-N 3.14Å; R127-V131 PolarHBondContact O-N 3.15Å; R127-V131 VanDerWaalsContact O-N 3.15Å |
| 128 | E | 95.6 | Very high | 93.3 | Very high | 102 Ų | 102 | 76 Ų | 76 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 179.3 | -66.4 | 164.3 | 165.9 | 0 | 0 | 110.9 | L124 G125 C130 V131 C132 | L124-E128 VanDerWaalsContact CA-OE2 3.31Å; L124-E128 WeakPolarHBondContact CA-OE2 3.39Å; L124-E128 HydrophobicContact CB-CB 4Å; L124-E128 HydrophobicContact CD2-CB 4.39Å; G125-E128 PolarHBondContact N-OE2 3.48Å; G125-E128 PolarHBondContact O-N 3.22Å; G125-E128 VanDerWaalsContact O-N 3.1Å; E128-C130 PolarHBondContact O-N 2.98Å; E128-V131 CarbonylContact O-C 3.56Å; E128-V131 WeakPolarHBondContact O-CA 3.37Å; E128-V131 WeakPolarHBondContact O-CB 3.31Å; E128-V131 PolarHBondContact O-N 3.34Å; E128-C132 PolarHBondContact O-N 2.91Å; E128-C132 PolarHBondContact O-SG 3.04Å; E128-C132 VanDerWaalsContact O-SG 3.39Å |
| 129 | L | 94.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.5 | -38.5 | 172.7 | -69.8 | 173.7 | 0 | 0 | 0 | 112.1 | F121 L124 G125 V131 C132 M133 L148 W149 | F121-L129 HydrophobicContact CB-CD2 3.82Å; F121-L129 HydrophobicContact CG-CD2 4.32Å; L124-L129 HydrophobicContact CB-CD2 3.97Å; L124-L129 HydrophobicContact CB-CG 4.04Å; L124-L129 HydrophobicContact CD1-CD2 4.27Å; G125-L129 WeakPolarHBondContact O-CG 3.39Å; G125-L129 PolarHBondContact O-N 3.24Å; L129-V131 VanDerWaalsContact C-N 3.3Å; L129-V131 PolarHBondContact O-N 2.92Å; L129-C132 WeakPolarHBondContact O-CB 3.22Å; L129-C132 PolarHBondContact O-N 2.84Å; L129-M133 VanDerWaalsContact O-CG 3.31Å; L129-M133 WeakPolarHBondContact O-CG 3.01Å; L129-M133 PolarHBondContact O-N 3.21Å; L129-L148 HydrophobicContact CD1-CB 4.01Å; L129-L148 HydrophobicContact CD2-CD1 4.24Å; L129-W149 HydrophobicContact CB-CH2 4.13Å; L129-W149 HydrophobicContact CB-CZ2 3.78Å; L129-W149 HydrophobicContact CD1-CH2 4.43Å; L129-W149 HydrophobicContact CD1-CZ2 3.97Å |
| 130 | C | 91.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 71.3 Ų | 71.3 | 14% | 0.142 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.9 | -30.9 | 174.1 | -68.2 | 0 | 0 | 0 | 0 | 112.7 | P126 R127 E128 | P126-C130 PolarHBondContact O-N 3.08Å; P126-C130 PolarHBondContact O-SG 3.28Å; R127-C130 WeakPolarHBondContact O-CB 3.46Å; R127-C130 PolarHBondContact O-N 3.1Å; R127-C130 VanDerWaalsContact O-N 3.14Å; E128-C130 PolarHBondContact O-N 2.98Å |
| 131 | V | 95.9 | Very high | 92.8 | Very high | 89 Ų | 89 | 73.8 Ų | 73.8 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70 | -45.7 | 171.9 | 178 | 0 | 0 | 0 | 0 | 110.1 | R127 E128 L129 M133 R134 | R127-V131 PolarHBondContact O-N 3.15Å; R127-V131 VanDerWaalsContact O-N 3.15Å; E128-V131 CarbonylContact O-C 3.56Å; E128-V131 WeakPolarHBondContact O-CA 3.37Å; E128-V131 WeakPolarHBondContact O-CB 3.31Å; E128-V131 PolarHBondContact O-N 3.34Å; L129-V131 VanDerWaalsContact C-N 3.3Å; L129-V131 PolarHBondContact O-N 2.92Å; V131-M133 PolarHBondContact O-N 3.38Å; V131-R134 WeakPolarHBondContact O-CB 3.38Å; V131-R134 PolarHBondContact O-N 2.72Å |
| 132 | C | 94.9 | Very high | 92.5 | Very high | 16 Ų | 16 | 73.7 Ų | 73.7 | 11% | 0.108 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.6 | -36.6 | 174.7 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | F121 L124 E128 L129 R134 V135 W139 | F121-C132 HydrophobicContact CE1-CB 4.48Å; L124-C132 VanDerWaalsContact CD1-SG 3.51Å; E128-C132 PolarHBondContact O-N 2.91Å; E128-C132 PolarHBondContact O-SG 3.04Å; E128-C132 VanDerWaalsContact O-SG 3.39Å; L129-C132 WeakPolarHBondContact O-CB 3.22Å; L129-C132 PolarHBondContact O-N 2.84Å; C132-R134 PolarHBondContact O-N 2.97Å; C132-R134 VanDerWaalsContact O-N 3.08Å; C132-V135 WeakPolarHBondContact O-CB 3.39Å; C132-V135 PolarHBondContact O-N 2.71Å; C132-V135 VanDerWaalsContact O-N 3.09Å; C132-W139 HydrophobicContact CB-CE3 3.74Å; C132-W139 HydrophobicContact CB-CZ3 4.15Å; C132-W139 WeakPolarHBondContact O-CB 3.27Å |
| 133 | M | 92.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 68.1 Ų | 68.1 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.1 | 175.6 | -73.9 | 174.1 | -179.1 | 0 | 0 | 114.3 | L129 V131 S140 C143 Y144 W149 R171 | L129-M133 VanDerWaalsContact O-CG 3.31Å; L129-M133 WeakPolarHBondContact O-CG 3.01Å; L129-M133 PolarHBondContact O-N 3.21Å; V131-M133 PolarHBondContact O-N 3.38Å; M133-S140 VanDerWaalsContact O-CB 3.27Å; M133-S140 WeakPolarHBondContact O-CB 3.36Å; M133-S140 PolarHBondContact O-OG 2.86Å; M133-C143 VanDerWaalsContact CE-C 3.43Å; M133-C143 HydrophobicContact CE-CB 3.47Å; M133-C143 VanDerWaalsContact CE-CB 3.47Å; M133-C143 WeakPolarHBondContact CE-O 3.36Å; M133-C143 HydrophobicContact CG-CB 3.41Å; M133-C143 VanDerWaalsContact CG-CB 3.41Å; M133-C143 HydrophobicContact SD-CB 4.34Å; M133-Y144 HydrophobicContact CE-CD1 4.2Å; M133-Y144 HydrophobicContact CE-CD2 4.49Å; M133-Y144 HydrophobicContact CE-CE1 4.25Å; M133-Y144 HydrophobicContact CE-CG 4.3Å; M133-Y144 HydrophobicContact SD-CE2 4.48Å; M133-W149 HydrophobicContact CE-CZ2 3.69Å; M133-R171 PolarHBondContact SD-NH2 3.22Å; M133-R171 VanDerWaalsContact SD-NH2 3.44Å |
| 134 | R | 94.2 | Very high | 92.1 | Very high | 182 Ų | 182 | 63.5 Ų | 63.5 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -11.2 | -180 | -59.6 | 171.4 | 63.9 | -178.7 | -3.6 | 113.3 | C2 V131 C132 | C2-R134 HydrophobicContact CB-CG 4.2Å; V131-R134 WeakPolarHBondContact O-CB 3.38Å; V131-R134 PolarHBondContact O-N 2.72Å; C132-R134 PolarHBondContact O-N 2.97Å; C132-R134 VanDerWaalsContact O-N 3.08Å |
| 135 | V | 93.4 | Very high | 91.9 | Very high | 90 Ų | 90 | 61.9 Ų | 61.9 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -51.9 | -175.8 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | C132 W139 | C132-V135 WeakPolarHBondContact O-CB 3.39Å; C132-V135 PolarHBondContact O-N 2.71Å; C132-V135 VanDerWaalsContact O-N 3.09Å; V135-W139 HydrophobicContact CB-CD2 4.17Å; V135-W139 HydrophobicContact CB-CE3 3.62Å; V135-W139 HydrophobicContact CB-CZ3 4.1Å; V135-W139 HydrophobicContact CG1-CD2 4.16Å; V135-W139 HydrophobicContact CG1-CE3 3.88Å; V135-W139 HydrophobicContact CG1-CZ3 4.1Å; V135-W139 HydrophobicContact CG2-CE3 3.69Å; V135-W139 HydrophobicContact CG2-CZ3 3.78Å |
| 136 | C | 89.6 | Confident | 91.8 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | trans | -155.7 | 168.2 | 176.9 | 72 | 0 | 0 | 0 | 0 | 111.8 | T138 W139 S140 | C136-T138 VanDerWaalsContact C-N 3.28Å; C136-T138 PolarHBondContact O-N 3.44Å; C136-W139 PolarHBondContact O-N 3.1Å; C136-W139 VanDerWaalsContact SG-CD1 3.54Å; C136-W139 PolarHBondContact SG-N 2.97Å; C136-S140 WeakPolarHBondContact O-CB 3.35Å; C136-S140 PolarHBondContact O-N 2.64Å | ||
| 137 | R | 88.4 | Confident | 91.7 | Very high | 213 Ų | 213 | 72.2 Ų | 72.2 | 80% | 0.804 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60 | -37.1 | 179.6 | -67.1 | -178.6 | -179.2 | 173.9 | 0.7 | 112.4 | S140 R141 | R137-S140 WeakPolarHBondContact O-CB 3.39Å; R137-S140 PolarHBondContact O-N 3.05Å; R137-R141 WeakPolarHBondContact O-CG 3.23Å; R137-R141 PolarHBondContact O-N 3.06Å; R137-R141 VanDerWaalsContact O-N 3.09Å |
| 138 | T | 89.9 | Confident | 91.8 | Very high | 12 Ų | 12 | 66.6 Ų | 66.6 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.1 | -47.8 | -179.5 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | P99 L102 C136 S140 R141 W142 | P99-T138 HydrophobicContact CG-CG2 3.96Å; L102-T138 HydrophobicContact CD1-CG2 3.82Å; C136-T138 VanDerWaalsContact C-N 3.28Å; C136-T138 PolarHBondContact O-N 3.44Å; T138-S140 VanDerWaalsContact C-N 3.28Å; T138-S140 PolarHBondContact O-N 3.18Å; T138-R141 WeakPolarHBondContact O-CB 3.48Å; T138-R141 PolarHBondContact O-N 2.99Å; T138-R141 VanDerWaalsContact O-N 3.11Å; T138-W142 HydrophobicContact CG2-CD2 3.82Å; T138-W142 HydrophobicContact CG2-CE3 4.17Å; T138-W142 HydrophobicContact CG2-CG 4.46Å; T138-W142 HydrophobicContact CG2-CH2 3.83Å; T138-W142 HydrophobicContact CG2-CZ2 3.41Å; T138-W142 VanDerWaalsContact CG2-CZ2 3.41Å; T138-W142 HydrophobicContact CG2-CZ3 4.16Å; T138-W142 PolarHBondContact O-N 3.04Å |
| 139 | W | 91.5 | Very high | 91.8 | Very high | 42 Ų | 42 | 62.1 Ų | 62.1 | 16% | 0.159 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -39.8 | 173.7 | -78 | 25.7 | 0 | 0 | 0 | 111.5 | W117 F121 C132 V135 C136 R141 W142 C143 | W117-W139 AromaticContact CE3-CZ2 3.99Å; W117-W139 HydrophobicContact CE3-CZ2 3.99Å; W117-W139 HydrophobicContact CH2-CH2 4.44Å; W117-W139 AromaticContact CH2-CZ2 3.58Å; W117-W139 HydrophobicContact CH2-CZ2 3.58Å; W117-W139 HydrophobicContact CZ2-CZ2 4.34Å; W117-W139 HydrophobicContact CZ3-CH2 4.03Å; W117-W139 AromaticContact CZ3-CZ2 3.36Å; W117-W139 HydrophobicContact CZ3-CZ2 3.36Å; F121-W139 HydrophobicContact CE1-CD2 4.22Å; F121-W139 HydrophobicContact CE1-CE3 4.17Å; F121-W139 HydrophobicContact CE1-CZ3 4.31Å; F121-W139 AromaticContact CZ-CD2 3.79Å; F121-W139 HydrophobicContact CZ-CD2 3.79Å; F121-W139 AromaticContact CZ-CE2 3.99Å; F121-W139 HydrophobicContact CZ-CE3 4.16Å; F121-W139 AromaticContact CZ-CG 3.97Å; F121-W139 HydrophobicContact CZ-CG 3.97Å; C132-W139 HydrophobicContact CB-CE3 3.74Å; C132-W139 HydrophobicContact CB-CZ3 4.15Å; C132-W139 WeakPolarHBondContact O-CB 3.27Å; V135-W139 HydrophobicContact CB-CD2 4.17Å; V135-W139 HydrophobicContact CB-CE3 3.62Å; V135-W139 HydrophobicContact CB-CZ3 4.1Å; V135-W139 HydrophobicContact CG1-CD2 4.16Å; V135-W139 HydrophobicContact CG1-CE3 3.88Å; V135-W139 HydrophobicContact CG1-CZ3 4.1Å; V135-W139 HydrophobicContact CG2-CE3 3.69Å; V135-W139 HydrophobicContact CG2-CZ3 3.78Å; C136-W139 PolarHBondContact O-N 3.1Å; C136-W139 VanDerWaalsContact SG-CD1 3.54Å; C136-W139 PolarHBondContact SG-N 2.97Å; W139-R141 VanDerWaalsContact C-N 3.31Å; W139-R141 PolarHBondContact O-N 3.32Å; W139-W142 PolarHBondContact O-N 3.45Å; W139-C143 VanDerWaalsContact O-CB 3.22Å; W139-C143 WeakPolarHBondContact O-CB 3.22Å; W139-C143 PolarHBondContact O-N 3.31Å; W139-C143 PolarHBondContact O-SG 3.41Å |
| 140 | S | 90.3 | Very high | 91.7 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52.9 | -49.3 | 172.4 | -158.4 | 0 | 0 | 0 | 0 | 111.6 | M133 C136 R137 T138 Y144 | M133-S140 VanDerWaalsContact O-CB 3.27Å; M133-S140 WeakPolarHBondContact O-CB 3.36Å; M133-S140 PolarHBondContact O-OG 2.86Å; C136-S140 WeakPolarHBondContact O-CB 3.35Å; C136-S140 PolarHBondContact O-N 2.64Å; R137-S140 WeakPolarHBondContact O-CB 3.39Å; R137-S140 PolarHBondContact O-N 3.05Å; T138-S140 VanDerWaalsContact C-N 3.28Å; T138-S140 PolarHBondContact O-N 3.18Å; S140-Y144 WeakPolarHBondContact O-CD2 3.37Å |
| 141 | R | 88.9 | Confident | 91.9 | Very high | 123 Ų | 123 | 72.2 Ų | 72.2 | 46% | 0.464 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 177.3 | -69.1 | 172.5 | -173.1 | 179.8 | 3.9 | 112.6 | P97 E98 R137 T138 W139 Y144 | P97-R141 HydrophobicContact CB-CB 4.2Å; P97-R141 HydrophobicContact CG-CB 4.1Å; E98-R141 PolarHBondContact O-NH1 3.01Å; R137-R141 WeakPolarHBondContact O-CG 3.23Å; R137-R141 PolarHBondContact O-N 3.06Å; R137-R141 VanDerWaalsContact O-N 3.09Å; T138-R141 WeakPolarHBondContact O-CB 3.48Å; T138-R141 PolarHBondContact O-N 2.99Å; T138-R141 VanDerWaalsContact O-N 3.11Å; W139-R141 VanDerWaalsContact C-N 3.31Å; W139-R141 PolarHBondContact O-N 3.32Å; R141-Y144 WeakPolarHBondContact O-CB 3.34Å; R141-Y144 PolarHBondContact O-N 2.97Å |
| 142 | W | 90.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.2 | -36.8 | -177.2 | -67.5 | -8.9 | 0 | 0 | 0 | 112.8 | P99 L102 R114 W117 F121 T138 W139 Y144 D145 | P99-W142 WeakPolarHBondContact O-CZ2 3.47Å; P99-W142 PolarHBondContact O-NE1 3.23Å; L102-W142 HydrophobicContact CB-CH2 3.84Å; L102-W142 HydrophobicContact CB-CZ3 4.21Å; R114-W142 HydrophobicContact CB-CH2 4.32Å; R114-W142 HydrophobicContact CB-CZ2 3.79Å; R114-W142 HydrophobicContact CG-CD2 4.08Å; R114-W142 HydrophobicContact CG-CG 4.25Å; R114-W142 HydrophobicContact CG-CZ2 4.17Å; W117-W142 HydrophobicContact CB-CE3 3.86Å; W117-W142 HydrophobicContact CB-CZ3 3.68Å; W117-W142 AromaticContact CD1-CH2 3.75Å; W117-W142 AromaticContact CD1-CZ3 3.31Å; W117-W142 HydrophobicContact CD2-CZ3 4.28Å; W117-W142 HydrophobicContact CG-CE3 4.11Å; W117-W142 HydrophobicContact CG-CH2 4.32Å; W117-W142 AromaticContact CG-CZ3 3.47Å; W117-W142 HydrophobicContact CG-CZ3 3.47Å; W117-W142 VanDerWaalsContact CG-CZ3 3.47Å; W117-W142 AromaticContact NE1-CZ3 3.96Å; F121-W142 HydrophobicContact CE2-CB 4.05Å; F121-W142 HydrophobicContact CE2-CE3 4.1Å; T138-W142 HydrophobicContact CG2-CD2 3.82Å; T138-W142 HydrophobicContact CG2-CE3 4.17Å; T138-W142 HydrophobicContact CG2-CG 4.46Å; T138-W142 HydrophobicContact CG2-CH2 3.83Å; T138-W142 HydrophobicContact CG2-CZ2 3.41Å; T138-W142 VanDerWaalsContact CG2-CZ2 3.41Å; T138-W142 HydrophobicContact CG2-CZ3 4.16Å; T138-W142 PolarHBondContact O-N 3.04Å; W139-W142 PolarHBondContact O-N 3.45Å; W142-Y144 PolarHBondContact O-N 3.03Å; W142-Y144 VanDerWaalsContact O-N 3.14Å; W142-D145 VanDerWaalsContact O-CB 3.26Å; W142-D145 WeakPolarHBondContact O-CB 3.31Å; W142-D145 PolarHBondContact O-N 3.19Å |
| 143 | C | 92 | Very high | 91.8 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -11.1 | 176.2 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | M133 W139 D145 W149 | M133-C143 VanDerWaalsContact CE-C 3.43Å; M133-C143 HydrophobicContact CE-CB 3.47Å; M133-C143 VanDerWaalsContact CE-CB 3.47Å; M133-C143 WeakPolarHBondContact CE-O 3.36Å; M133-C143 HydrophobicContact CG-CB 3.41Å; M133-C143 VanDerWaalsContact CG-CB 3.41Å; M133-C143 HydrophobicContact SD-CB 4.34Å; W139-C143 VanDerWaalsContact O-CB 3.22Å; W139-C143 WeakPolarHBondContact O-CB 3.22Å; W139-C143 PolarHBondContact O-N 3.31Å; W139-C143 PolarHBondContact O-SG 3.41Å; C143-D145 VanDerWaalsContact C-N 3.3Å; C143-W149 PolarHBondContact O-NE1 3.24Å |
| 144 | Y | 90.1 | Very high | 91.9 | Very high | 61 Ų | 61 | 72.4 Ų | 72.4 | 24% | 0.239 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -1 | 169.3 | -79.1 | -70 | 0 | 0 | 0 | 113.8 | M133 S140 R141 W142 K146 R170 R171 | M133-Y144 HydrophobicContact CE-CD1 4.2Å; M133-Y144 HydrophobicContact CE-CD2 4.49Å; M133-Y144 HydrophobicContact CE-CE1 4.25Å; M133-Y144 HydrophobicContact CE-CG 4.3Å; M133-Y144 HydrophobicContact SD-CE2 4.48Å; S140-Y144 WeakPolarHBondContact O-CD2 3.37Å; R141-Y144 WeakPolarHBondContact O-CB 3.34Å; R141-Y144 PolarHBondContact O-N 2.97Å; W142-Y144 PolarHBondContact O-N 3.03Å; W142-Y144 VanDerWaalsContact O-N 3.14Å; Y144-K146 PolarHBondContact O-N 2.86Å; Y144-R170 HydrophobicContact CD1-CB 3.84Å; Y144-R170 HydrophobicContact CE1-CB 3.97Å; Y144-R171 HydrophobicContact CD1-CG 3.84Å; Y144-R171 HydrophobicContact CE1-CG 4.34Å |
| 145 | D | 90.1 | Very high | 92 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 10% | 0.102 | 30% | 0.295 | C | S | . | . | trans | -58.4 | 124.4 | 177.9 | -168.8 | -55.8 | 0 | 0 | 0 | 110.8 | R114 L118 W142 C143 R147 L148 | R114-D145 IonicContact CZ-OD2 3.86Å; R114-D145 IonicContact NH1-OD2 3.04Å; R114-D145 IonicContact NH2-OD2 2.68Å; R114-D145 PolarHBondContact NH2-OD2 2.98Å; L118-D145 HydrophobicContact CD2-CB 3.92Å; W142-D145 VanDerWaalsContact O-CB 3.26Å; W142-D145 WeakPolarHBondContact O-CB 3.31Å; W142-D145 PolarHBondContact O-N 3.19Å; C143-D145 VanDerWaalsContact C-N 3.3Å; D145-R147 PolarHBondContact O-N 3.36Å; D145-R147 VanDerWaalsContact OD1-CB 3.22Å; D145-R147 WeakPolarHBondContact OD1-CB 3.11Å; D145-R147 VanDerWaalsContact OD1-CG 3.23Å; D145-R147 WeakPolarHBondContact OD1-CG 3.31Å; D145-R147 PolarHBondContact OD1-N 3.29Å; D145-L148 HydrophobicContact CB-CD1 4.23Å; D145-L148 HydrophobicContact CB-CG 4.33Å; D145-L148 WeakPolarHBondContact O-CB 3.48Å; D145-L148 PolarHBondContact O-N 3.46Å | ||
| 146 | K | 89.8 | Confident | 92 | Very high | 117 Ų | 117 | 69.2 Ų | 69.2 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -54.8 | -25.4 | -178.6 | 65.9 | 179.9 | -179.2 | 179.3 | 0 | 114.4 | Y144 L148 W149 R171 Q172 | Y144-K146 PolarHBondContact O-N 2.86Å; K146-L148 PolarHBondContact O-N 3.31Å; K146-W149 CarbonylContact O-C 3.56Å; K146-W149 PolarHBondContact O-N 3.3Å; K146-R171 VanDerWaalsContact CA-O 3.31Å; K146-R171 WeakPolarHBondContact CA-O 3.39Å; K146-R171 WeakPolarHBondContact CB-O 3.45Å; K146-Q172 HydrophobicContact CB-CB 4.31Å |
| 147 | R | 90.7 | Very high | 92 | Very high | 195 Ų | 195 | 70 Ų | 70 | 74% | 0.736 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -65.5 | -27.8 | 178.1 | -63.7 | 172.5 | -176.5 | -175.2 | 2.2 | 111.9 | D145 W149 | D145-R147 PolarHBondContact O-N 3.36Å; D145-R147 VanDerWaalsContact OD1-CB 3.22Å; D145-R147 WeakPolarHBondContact OD1-CB 3.11Å; D145-R147 VanDerWaalsContact OD1-CG 3.23Å; D145-R147 WeakPolarHBondContact OD1-CG 3.31Å; D145-R147 PolarHBondContact OD1-N 3.29Å; R147-W149 VanDerWaalsContact C-N 3.31Å |
| 148 | L | 93.8 | Very high | 91.8 | Very high | 19 Ų | 19 | 69.9 Ų | 69.9 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -81 | -13.2 | 178.7 | -56.5 | 174.6 | 0 | 0 | 0 | 112.6 | L118 F121 Q122 L129 D145 K146 P150 | L118-L148 HydrophobicContact CD2-CD1 4.02Å; L118-L148 HydrophobicContact CD2-CG 4.47Å; F121-L148 HydrophobicContact CB-CD1 3.98Å; F121-L148 HydrophobicContact CB-CD2 3.8Å; F121-L148 HydrophobicContact CD2-CD1 4.36Å; Q122-L148 HydrophobicContact CB-CD2 4.2Å; L129-L148 HydrophobicContact CD1-CB 4.01Å; L129-L148 HydrophobicContact CD2-CD1 4.24Å; D145-L148 HydrophobicContact CB-CD1 4.23Å; D145-L148 HydrophobicContact CB-CG 4.33Å; D145-L148 WeakPolarHBondContact O-CB 3.48Å; D145-L148 PolarHBondContact O-N 3.46Å; K146-L148 PolarHBondContact O-N 3.31Å; L148-P150 WeakPolarHBondContact O-CD 3.1Å |
| 149 | W | 93.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 73.2 Ų | 73.2 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | trans | -124.5 | 55.8 | -175.6 | -55.8 | 91.4 | 0 | 0 | 0 | 112 | P126 L129 M133 C143 K146 R147 R151 M152 R171 P173 | P126-W149 HydrophobicContact CB-CH2 4.23Å; P126-W149 HydrophobicContact CB-CZ3 3.73Å; P126-W149 WeakPolarHBondContact O-CH2 3.41Å; L129-W149 HydrophobicContact CB-CH2 4.13Å; L129-W149 HydrophobicContact CB-CZ2 3.78Å; L129-W149 HydrophobicContact CD1-CH2 4.43Å; L129-W149 HydrophobicContact CD1-CZ2 3.97Å; M133-W149 HydrophobicContact CE-CZ2 3.69Å; C143-W149 PolarHBondContact O-NE1 3.24Å; K146-W149 CarbonylContact O-C 3.56Å; K146-W149 PolarHBondContact O-N 3.3Å; R147-W149 VanDerWaalsContact C-N 3.31Å; W149-R151 PolarHBondContact O-N 2.82Å; W149-M152 HydrophobicContact CB-CG 4.38Å; W149-M152 HydrophobicContact CE3-CE 4.43Å; W149-M152 HydrophobicContact CE3-CG 4.11Å; W149-M152 HydrophobicContact CE3-SD 4.39Å; W149-R171 HydrophobicContact CB-CB 3.97Å; W149-R171 HydrophobicContact CD2-CB 4.41Å; W149-R171 VanDerWaalsContact CD2-CD 3.48Å; W149-R171 HydrophobicContact CD2-CG 4.06Å; W149-R171 HydrophobicContact CG-CB 3.83Å; W149-R171 HydrophobicContact CG-CG 3.88Å; W149-P173 VanDerWaalsContact O-CA 3.31Å; W149-P173 WeakPolarHBondContact O-CA 3.5Å; W149-P173 WeakPolarHBondContact O-CB 3.31Å | ||
| 150 | P | 93.4 | Very high | 91.8 | Very high | 73 Ų | 73 | 71.7 Ų | 71.7 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -61.6 | -36.4 | -179.7 | 26.6 | -34 | 0 | 0 | 0 | 111.7 | L148 R174 A175 | L148-P150 WeakPolarHBondContact O-CD 3.1Å; P150-R174 WeakPolarHBondContact O-CB 3.49Å; P150-R174 PolarHBondContact O-N 3.44Å; P150-A175 PolarHBondContact O-N 3.34Å |
| 151 | R | 95.5 | Very high | 91.8 | Very high | 162 Ų | 162 | 72.8 Ų | 72.8 | 61% | 0.611 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.7 | 175.6 | -55.3 | -156.4 | 155.7 | 155.1 | -2.1 | 110.3 | W149 A175 E200 | W149-R151 PolarHBondContact O-N 2.82Å; R151-A175 CarbonylContact C-O 3.46Å; R151-A175 WeakPolarHBondContact CA-O 2.97Å; R151-A175 HydrophobicContact CB-CB 3.98Å; R151-A175 HydrophobicContact CG-CB 3.58Å; R151-E200 IonicContact CZ-OE2 2.69Å; R151-E200 VanDerWaalsContact CZ-OE2 3.25Å; R151-E200 IonicContact NE-OE2 2.72Å; R151-E200 PolarHBondContact NE-OE2 3.15Å; R151-E200 IonicContact NH2-OE1 2.89Å; R151-E200 PolarHBondContact NH2-OE1 2.98Å; R151-E200 IonicContact NH2-OE2 3.94Å; R151-E200 PolarHBondContact NH2-OE2 2.69Å |
| 152 | M | 95.3 | Very high | 92 | Very high | 23 Ų | 23 | 71.3 Ų | 71.3 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.2 | 172.1 | -74.4 | -172.4 | 74.7 | 0 | 0 | 109.9 | W149 V168 R171 P173 A175 L176 D177 | W149-M152 HydrophobicContact CB-CG 4.38Å; W149-M152 HydrophobicContact CE3-CE 4.43Å; W149-M152 HydrophobicContact CE3-CG 4.11Å; W149-M152 HydrophobicContact CE3-SD 4.39Å; M152-V168 HydrophobicContact CE-CB 4.49Å; M152-V168 HydrophobicContact CE-CG2 3.83Å; M152-V168 HydrophobicContact SD-CB 4.46Å; M152-V168 HydrophobicContact SD-CG1 4.38Å; M152-V168 HydrophobicContact SD-CG2 4.3Å; M152-R171 HydrophobicContact SD-CB 3.82Å; M152-R171 HydrophobicContact SD-CG 4.44Å; M152-P173 HydrophobicContact CB-CB 4.19Å; M152-P173 HydrophobicContact CB-CG 4.28Å; M152-P173 HydrophobicContact CG-CB 3.88Å; M152-P173 HydrophobicContact CG-CG 4.14Å; M152-P173 HydrophobicContact SD-CB 4.17Å; M152-P173 HydrophobicContact SD-CG 3.91Å; M152-A175 PolarHBondContact N-O 2.7Å; M152-L176 HydrophobicContact CB-CD1 4.11Å; M152-D177 PolarHBondContact O-N 2.78Å |
| 153 | D | 94.9 | Very high | 92 | Very high | 89 Ų | 89 | 74.5 Ų | 74.5 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.9 | 178.5 | 179.8 | 8.8 | 0 | 0 | 0 | 110.2 | S155 | D153-S155 WeakPolarHBondContact OD1-CA 3.31Å; D153-S155 WeakPolarHBondContact OD1-CB 3.31Å; D153-S155 PolarHBondContact OD1-N 3.02Å; D153-S155 PolarHBondContact OD1-OG 2.8Å; D153-S155 PolarHBondContact OD2-OG 3.24Å |
| 154 | L | 94.9 | Very high | 92 | Very high | 10 Ų | 10 | 75.1 Ų | 75.1 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | trans | -118.6 | 17.6 | 173.1 | -60 | 177.5 | 0 | 0 | 0 | 111.5 | R157 L160 M164 V168 L176 D177 L178 T181 | L154-R157 HydrophobicContact CB-CG 4.43Å; L154-R157 VanDerWaalsContact O-CB 3.3Å; L154-R157 WeakPolarHBondContact O-CB 3.39Å; L154-R157 WeakPolarHBondContact O-CG 3.44Å; L154-R157 PolarHBondContact O-N 2.78Å; L154-L160 HydrophobicContact CB-CD2 4.41Å; L154-L160 HydrophobicContact CD1-CD2 4.35Å; L154-M164 HydrophobicContact CD2-CE 4.08Å; L154-V168 HydrophobicContact CD1-CG2 3.69Å; L154-L176 HydrophobicContact CD1-CD1 4.4Å; L154-D177 WeakPolarHBondContact CA-O 3.1Å; L154-D177 PolarHBondContact N-O 3.41Å; L154-L178 HydrophobicContact CB-CD2 4.06Å; L154-L178 HydrophobicContact CD1-CD2 3.83Å; L154-L178 HydrophobicContact CG-CD2 4.47Å; L154-T181 WeakPolarHBondContact O-CG2 3.31Å | ||
| 155 | S | 95.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 72.7 Ų | 72.7 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 146.3 | -178 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | D153 R157 S179 | D153-S155 WeakPolarHBondContact OD1-CA 3.31Å; D153-S155 WeakPolarHBondContact OD1-CB 3.31Å; D153-S155 PolarHBondContact OD1-N 3.02Å; D153-S155 PolarHBondContact OD1-OG 2.8Å; D153-S155 PolarHBondContact OD2-OG 3.24Å; S155-R157 PolarHBondContact O-N 2.97Å; S155-S179 CarbonylContact C-O 3.36Å; S155-S179 WeakPolarHBondContact CA-O 3.45Å; S155-S179 WeakPolarHBondContact CB-O 3.32Å; S155-S179 WeakPolarHBondContact CB-OG 3.34Å |
| 156 | R | 92.9 | Very high | 92.3 | Very high | 185 Ų | 185 | 73 Ų | 73 | 70% | 0.698 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 17.3 | 177.9 | -52.8 | -178.3 | -164.4 | -151.3 | 2.6 | 114.8 | K158 S179 W180 | R156-K158 PolarHBondContact O-N 3.22Å; R156-S179 PolarHBondContact N-O 3.34Å; R156-W180 WeakPolarHBondContact CA-O 3.3Å; R156-W180 HydrophobicContact CG-CB 3.87Å; R156-W180 HydrophobicContact CG-CG 4.39Å |
| 157 | R | 89.9 | Confident | 92.4 | Very high | 62 Ų | 62 | 67.7 Ų | 67.7 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | trans | -74 | 115.2 | 172.8 | -72.2 | -76.9 | -179.7 | -164.1 | -11.4 | 109.3 | L4 L154 S155 S159 L160 M164 T181 | L4-R157 PolarHBondContact O-NH2 3.47Å; L154-R157 HydrophobicContact CB-CG 4.43Å; L154-R157 VanDerWaalsContact O-CB 3.3Å; L154-R157 WeakPolarHBondContact O-CB 3.39Å; L154-R157 WeakPolarHBondContact O-CG 3.44Å; L154-R157 PolarHBondContact O-N 2.78Å; S155-R157 PolarHBondContact O-N 2.97Å; R157-S159 VanDerWaalsContact C-N 3.27Å; R157-S159 PolarHBondContact O-N 2.85Å; R157-L160 HydrophobicContact CB-CD2 4.08Å; R157-M164 HydrophobicContact CG-CE 4.29Å; R157-T181 HydrophobicContact CB-CG2 4.28Å | ||
| 158 | K | 84 | Confident | 92.5 | Very high | 212 Ų | 212 | 58.4 Ų | 58.4 | 92% | 0.922 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -58.1 | -35.1 | 178.6 | -66.5 | -173.4 | 178.5 | -177.8 | 0 | 113.4 | R156 | R156-K158 PolarHBondContact O-N 3.22Š|
| 159 | S | 88.9 | Confident | 92.5 | Very high | 81 Ų | 81 | 57.5 Ų | 57.5 | 57% | 0.566 | 29% | 0.292 | S | S | * | . | trans | -136.2 | 127.6 | -179.8 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | R157 M164 | R157-S159 VanDerWaalsContact C-N 3.27Å; R157-S159 PolarHBondContact O-N 2.85Å; S159-M164 VanDerWaalsContact O-SD 3.42Å | ||
| 160 | L | 92.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | trans | -100.2 | 95.1 | 174.6 | -65.7 | 179.2 | 0 | 0 | 0 | 109.5 | L154 R157 M164 L165 V183 Q187 | L154-L160 HydrophobicContact CB-CD2 4.41Å; L154-L160 HydrophobicContact CD1-CD2 4.35Å; R157-L160 HydrophobicContact CB-CD2 4.08Å; L160-M164 HydrophobicContact CD2-CE 4.26Å; L160-L165 HydrophobicContact CB-CD2 4.38Å; L160-V183 HydrophobicContact CD1-CB 3.56Å; L160-V183 HydrophobicContact CD1-CG2 3.88Å; L160-Q187 PolarHBondContact O-NE2 2.77Å; L160-Q187 VanDerWaalsContact O-NE2 3.1Å | ||
| 161 | T | 92 | Very high | 92.3 | Very high | 59 Ų | 59 | 59.9 Ų | 59.9 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | trans | -78.3 | 150 | -178.1 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | P163 M164 L165 | T161-P163 VanDerWaalsContact C-CD 3.42Å; T161-P163 VanDerWaalsContact C-N 3.29Å; T161-M164 PolarHBondContact N-SD 2.85Å; T161-M164 VanDerWaalsContact N-SD 3.41Å; T161-M164 WeakPolarHBondContact O-CA 3.33Å; T161-M164 WeakPolarHBondContact O-CB 3.26Å; T161-M164 WeakPolarHBondContact O-CG 3.38Å; T161-M164 PolarHBondContact O-N 2.9Å; T161-M164 WeakPolarHBondContact OG1-CG 3.37Å; T161-L165 PolarHBondContact O-N 2.96Å | ||
| 162 | P | 92.3 | Very high | 92.2 | Very high | 92 Ų | 92 | 54 Ų | 54 | 60% | 0.597 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -53.2 | -36.1 | 178.8 | -24.6 | 32.6 | 0 | 0 | 0 | 114.9 | M164 L165 S166 | P162-M164 VanDerWaalsContact C-N 3.32Å; P162-M164 PolarHBondContact O-N 2.88Å; P162-L165 PolarHBondContact O-N 2.97Å; P162-S166 VanDerWaalsContact O-CB 3.31Å; P162-S166 WeakPolarHBondContact O-CB 3.25Å; P162-S166 PolarHBondContact O-N 3.07Å; P162-S166 PolarHBondContact O-OG 3.11Å |
| 163 | P | 91.1 | Very high | 92.2 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 171.7 | -26.1 | 36 | 0 | 0 | 0 | 114 | T161 G167 | T161-P163 VanDerWaalsContact C-CD 3.42Å; T161-P163 VanDerWaalsContact C-N 3.29Å; P163-G167 PolarHBondContact O-N 3.18Å |
| 164 | M | 91.3 | Very high | 92.1 | Very high | 14 Ų | 14 | 56.4 Ų | 56.4 | 7% | 0.069 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -50.1 | 175.9 | -43.4 | -178.4 | 53.6 | 0 | 0 | 110.2 | L4 L154 R157 S159 L160 T161 P162 S166 G167 V168 | L4-M164 HydrophobicContact CD1-CG 4.49Å; L4-M164 HydrophobicContact CD2-CB 3.81Å; L4-M164 HydrophobicContact CD2-CE 3.4Å; L4-M164 VanDerWaalsContact CD2-CE 3.4Å; L4-M164 HydrophobicContact CD2-CG 3.29Å; L4-M164 HydrophobicContact CD2-SD 3.79Å; L4-M164 HydrophobicContact CG-CG 4.27Å; L154-M164 HydrophobicContact CD2-CE 4.08Å; R157-M164 HydrophobicContact CG-CE 4.29Å; S159-M164 VanDerWaalsContact O-SD 3.42Å; L160-M164 HydrophobicContact CD2-CE 4.26Å; T161-M164 PolarHBondContact N-SD 2.85Å; T161-M164 VanDerWaalsContact N-SD 3.41Å; T161-M164 WeakPolarHBondContact O-CA 3.33Å; T161-M164 WeakPolarHBondContact O-CB 3.26Å; T161-M164 WeakPolarHBondContact O-CG 3.38Å; T161-M164 PolarHBondContact O-N 2.9Å; T161-M164 WeakPolarHBondContact OG1-CG 3.37Å; P162-M164 VanDerWaalsContact C-N 3.32Å; P162-M164 PolarHBondContact O-N 2.88Å; M164-S166 VanDerWaalsContact C-N 3.31Å; M164-S166 PolarHBondContact O-N 3.01Å; M164-G167 CarbonylContact O-C 3.48Å; M164-G167 WeakPolarHBondContact O-CA 3.16Å; M164-G167 PolarHBondContact O-N 3.48Å; M164-V168 WeakPolarHBondContact O-CG2 3.35Å; M164-V168 PolarHBondContact O-N 2.86Å |
| 165 | L | 94 | Very high | 92.2 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 179.8 | -57.1 | 179.2 | 0 | 0 | 0 | 110.9 | L160 T161 P162 G167 V168 V169 Q187 W190 L191 | L160-L165 HydrophobicContact CB-CD2 4.38Å; T161-L165 PolarHBondContact O-N 2.96Å; P162-L165 PolarHBondContact O-N 2.97Å; L165-G167 VanDerWaalsContact C-N 3.27Å; L165-G167 PolarHBondContact O-N 2.87Å; L165-V168 WeakPolarHBondContact O-CB 3.45Å; L165-V168 PolarHBondContact O-N 2.93Å; L165-V169 PolarHBondContact O-N 3.18Å; L165-Q187 HydrophobicContact CD1-CB 3.9Å; L165-Q187 HydrophobicContact CD1-CG 3.65Å; L165-W190 HydrophobicContact CB-CE3 4.23Å; L165-W190 HydrophobicContact CB-CZ3 3.74Å; L165-L191 HydrophobicContact CB-CD2 4.28Å; L165-L191 HydrophobicContact CD2-CD1 3.93Å; L165-L191 HydrophobicContact CD2-CD2 4.2Å; L165-L191 HydrophobicContact CD2-CG 4.27Å |
| 166 | S | 92.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 172.3 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | P162 M164 V169 R170 | P162-S166 VanDerWaalsContact O-CB 3.31Å; P162-S166 WeakPolarHBondContact O-CB 3.25Å; P162-S166 PolarHBondContact O-N 3.07Å; P162-S166 PolarHBondContact O-OG 3.11Å; M164-S166 VanDerWaalsContact C-N 3.31Å; M164-S166 PolarHBondContact O-N 3.01Å; S166-V169 PolarHBondContact O-N 2.9Å; S166-R170 VanDerWaalsContact O-CG 3.31Å; S166-R170 WeakPolarHBondContact O-CG 3.28Å; S166-R170 PolarHBondContact O-N 3.4Å |
| 167 | G | 91.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 6% | 0.062 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P163 M164 L165 R170 R171 | P163-G167 PolarHBondContact O-N 3.18Å; M164-G167 CarbonylContact O-C 3.48Å; M164-G167 WeakPolarHBondContact O-CA 3.16Å; M164-G167 PolarHBondContact O-N 3.48Å; L165-G167 VanDerWaalsContact C-N 3.27Å; L165-G167 PolarHBondContact O-N 2.87Å; G167-R170 PolarHBondContact O-N 3.26Å; G167-R171 WeakPolarHBondContact O-CD 3.47Å; G167-R171 VanDerWaalsContact O-CG 3.31Å; G167-R171 WeakPolarHBondContact O-CG 3.35Å; G167-R171 PolarHBondContact O-N 2.99Å; G167-R171 PolarHBondContact O-NH1 2.75Å |
| 168 | V | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -49.3 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | M152 L154 M164 L165 R170 R171 Q172 P173 L176 L191 L195 | M152-V168 HydrophobicContact CE-CB 4.49Å; M152-V168 HydrophobicContact CE-CG2 3.83Å; M152-V168 HydrophobicContact SD-CB 4.46Å; M152-V168 HydrophobicContact SD-CG1 4.38Å; M152-V168 HydrophobicContact SD-CG2 4.3Å; L154-V168 HydrophobicContact CD1-CG2 3.69Å; M164-V168 WeakPolarHBondContact O-CG2 3.35Å; M164-V168 PolarHBondContact O-N 2.86Å; L165-V168 WeakPolarHBondContact O-CB 3.45Å; L165-V168 PolarHBondContact O-N 2.93Å; V168-R170 VanDerWaalsContact C-N 3.26Å; V168-R170 PolarHBondContact O-N 3.39Å; V168-R171 PolarHBondContact O-N 3.41Å; V168-Q172 PolarHBondContact O-N 2.88Å; V168-P173 HydrophobicContact CG1-CG 4.01Å; V168-P173 WeakPolarHBondContact O-CD 3.09Å; V168-L176 HydrophobicContact CG1-CD1 3.9Å; V168-L176 HydrophobicContact CG1-CD2 4.17Å; V168-L176 HydrophobicContact CG2-CD1 4.46Å; V168-L191 HydrophobicContact CB-CD2 4.27Å; V168-L191 HydrophobicContact CG1-CD2 4.16Å; V168-L195 HydrophobicContact CG1-CD1 4.13Å; V168-L195 HydrophobicContact CG1-CD2 4.36Å |
| 169 | V | 93.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -37.2 | 178.5 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | V90 L165 S166 R171 Q172 W190 L191 R194 | V90-V169 HydrophobicContact CG1-CB 4.33Å; V90-V169 HydrophobicContact CG1-CG1 4.01Å; L165-V169 PolarHBondContact O-N 3.18Å; S166-V169 PolarHBondContact O-N 2.9Å; V169-R171 VanDerWaalsContact C-N 3.3Å; V169-R171 PolarHBondContact O-N 2.88Å; V169-Q172 WeakPolarHBondContact O-CG 3.47Å; V169-Q172 PolarHBondContact O-NE2 2.7Å; V169-W190 HydrophobicContact CB-CH2 4.28Å; V169-W190 HydrophobicContact CB-CZ3 4.35Å; V169-W190 HydrophobicContact CG2-CE3 4.18Å; V169-W190 HydrophobicContact CG2-CH2 3.72Å; V169-W190 HydrophobicContact CG2-CZ3 3.37Å; V169-L191 HydrophobicContact CG2-CD2 4.02Å; V169-R194 HydrophobicContact CB-CB 4.49Å; V169-R194 HydrophobicContact CG1-CB 3.82Å; V169-R194 HydrophobicContact CG1-CG 4.5Å; V169-R194 HydrophobicContact CG2-CB 3.79Å |
| 170 | R | 90.9 | Very high | 93.8 | Very high | 109 Ų | 109 | 38.4 Ų | 38.4 | 41% | 0.411 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66 | -33.8 | 176.2 | -74 | 173.5 | -173.3 | -96.5 | 3 | 112.4 | V90 P93 Y144 S166 G167 V168 | V90-R170 HydrophobicContact CG1-CG 4.04Å; P93-R170 WeakPolarHBondContact CD-O 3.32Å; P93-R170 WeakPolarHBondContact CG-O 3.41Å; Y144-R170 HydrophobicContact CD1-CB 3.84Å; Y144-R170 HydrophobicContact CE1-CB 3.97Å; S166-R170 VanDerWaalsContact O-CG 3.31Å; S166-R170 WeakPolarHBondContact O-CG 3.28Å; S166-R170 PolarHBondContact O-N 3.4Å; G167-R170 PolarHBondContact O-N 3.26Å; V168-R170 VanDerWaalsContact C-N 3.26Å; V168-R170 PolarHBondContact O-N 3.39Å |
| 171 | R | 92.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -85.6 | -17.2 | -176.5 | -68.1 | 167.4 | 179.1 | 93.9 | -2.4 | 113.7 | M133 Y144 K146 W149 M152 G167 V168 V169 | M133-R171 PolarHBondContact SD-NH2 3.22Å; M133-R171 VanDerWaalsContact SD-NH2 3.44Å; Y144-R171 HydrophobicContact CD1-CG 3.84Å; Y144-R171 HydrophobicContact CE1-CG 4.34Å; K146-R171 VanDerWaalsContact CA-O 3.31Å; K146-R171 WeakPolarHBondContact CA-O 3.39Å; K146-R171 WeakPolarHBondContact CB-O 3.45Å; W149-R171 HydrophobicContact CB-CB 3.97Å; W149-R171 HydrophobicContact CD2-CB 4.41Å; W149-R171 VanDerWaalsContact CD2-CD 3.48Å; W149-R171 HydrophobicContact CD2-CG 4.06Å; W149-R171 HydrophobicContact CG-CB 3.83Å; W149-R171 HydrophobicContact CG-CG 3.88Å; M152-R171 HydrophobicContact SD-CB 3.82Å; M152-R171 HydrophobicContact SD-CG 4.44Å; G167-R171 WeakPolarHBondContact O-CD 3.47Å; G167-R171 VanDerWaalsContact O-CG 3.31Å; G167-R171 WeakPolarHBondContact O-CG 3.35Å; G167-R171 PolarHBondContact O-N 2.99Å; G167-R171 PolarHBondContact O-NH1 2.75Å; V168-R171 PolarHBondContact O-N 3.41Å; V169-R171 VanDerWaalsContact C-N 3.3Å; V169-R171 PolarHBondContact O-N 2.88Å |
| 172 | Q | 92.7 | Very high | 93.8 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 18% | 0.178 | 20% | 0.204 | C | C | . | . | trans | 47.4 | 57.7 | 177.2 | -67.1 | -70.4 | -53.1 | 0 | 0 | 113.2 | P92 K146 V168 V169 R194 | P92-Q172 HydrophobicContact CB-CG 4.46Å; K146-Q172 HydrophobicContact CB-CB 4.31Å; V168-Q172 PolarHBondContact O-N 2.88Å; V169-Q172 WeakPolarHBondContact O-CG 3.47Å; V169-Q172 PolarHBondContact O-NE2 2.7Å; Q172-R194 PolarHBondContact NE2-O 2.84Å; Q172-R194 PolarHBondContact OE1-O 2.98Å | ||
| 173 | P | 95 | Very high | 94 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | trans | -66.3 | 154 | -178 | 30.4 | -37.7 | 0 | 0 | 0 | 112.5 | W149 M152 V168 | W149-P173 VanDerWaalsContact O-CA 3.31Å; W149-P173 WeakPolarHBondContact O-CA 3.5Å; W149-P173 WeakPolarHBondContact O-CB 3.31Å; M152-P173 HydrophobicContact CB-CB 4.19Å; M152-P173 HydrophobicContact CB-CG 4.28Å; M152-P173 HydrophobicContact CG-CB 3.88Å; M152-P173 HydrophobicContact CG-CG 4.14Å; M152-P173 HydrophobicContact SD-CB 4.17Å; M152-P173 HydrophobicContact SD-CG 3.91Å; V168-P173 HydrophobicContact CG1-CG 4.01Å; V168-P173 WeakPolarHBondContact O-CD 3.09Å | ||
| 174 | R | 94.6 | Very high | 94.1 | Very high | 162 Ų | 162 | 33.5 Ų | 33.5 | 61% | 0.611 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -83.6 | -31.5 | 171.5 | -67.4 | -178.7 | 174.4 | 178.1 | -2.8 | 111.8 | P150 Q199 E200 | P150-R174 WeakPolarHBondContact O-CB 3.49Å; P150-R174 PolarHBondContact O-N 3.44Å; R174-Q199 PolarHBondContact O-N 2.96Å; R174-E200 PolarHBondContact O-N 2.99Å |
| 175 | A | 96.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P150 R151 M152 E200 | P150-A175 PolarHBondContact O-N 3.34Å; R151-A175 CarbonylContact C-O 3.46Å; R151-A175 WeakPolarHBondContact CA-O 2.97Å; R151-A175 HydrophobicContact CB-CB 3.98Å; R151-A175 HydrophobicContact CG-CB 3.58Å; M152-A175 PolarHBondContact N-O 2.7Å; A175-E200 CarbonylContact C-O 3.52Å; A175-E200 WeakPolarHBondContact CA-O 3.41Å; A175-E200 HydrophobicContact CB-CB 3.68Å; A175-E200 HydrophobicContact CB-CG 4.16Å; A175-E200 WeakPolarHBondContact CB-OE2 3.31Å |
| 176 | L | 96.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122 | 176.6 | -177.9 | 64.1 | 0 | 0 | 0 | 110 | M152 L154 V168 L178 L191 L195 L198 E200 L201 V202 | M152-L176 HydrophobicContact CB-CD1 4.11Å; L154-L176 HydrophobicContact CD1-CD1 4.4Å; V168-L176 HydrophobicContact CG1-CD1 3.9Å; V168-L176 HydrophobicContact CG1-CD2 4.17Å; V168-L176 HydrophobicContact CG2-CD1 4.46Å; L176-L178 HydrophobicContact CD1-CD2 4.22Å; L176-L178 HydrophobicContact CD2-CD1 4.03Å; L176-L178 HydrophobicContact CD2-CD2 4.29Å; L176-L178 HydrophobicContact CD2-CG 4.13Å; L176-L178 HydrophobicContact CG-CD1 4.43Å; L176-L178 HydrophobicContact CG-CD2 4.18Å; L176-L178 HydrophobicContact CG-CG 4Å; L176-L191 HydrophobicContact CD2-CD1 4.14Å; L176-L195 HydrophobicContact CD2-CD1 3.88Å; L176-L198 HydrophobicContact CB-CD1 3.68Å; L176-E200 PolarHBondContact N-O 2.73Å; L176-L201 HydrophobicContact CB-CD1 4.48Å; L176-V202 PolarHBondContact O-N 2.92Å |
| 177 | D | 97.3 | Very high | 94.3 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.5 | 173.6 | -168.3 | -21.7 | 0 | 0 | 0 | 110.3 | M152 L154 S179 V202 | M152-D177 PolarHBondContact O-N 2.78Å; L154-D177 WeakPolarHBondContact CA-O 3.1Å; L154-D177 PolarHBondContact N-O 3.41Å; D177-S179 WeakPolarHBondContact OD1-CB 3.5Å; D177-S179 PolarHBondContact OD1-N 2.89Å; D177-S179 PolarHBondContact OD1-OG 3.44Å; D177-V202 HydrophobicContact CB-CB 4.16Å |
| 178 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -119.5 | 20.3 | 175.9 | -58.4 | 174.2 | 0 | 0 | 0 | 110.8 | L154 L176 T181 V183 L188 L191 V202 L203 C206 | L154-L178 HydrophobicContact CB-CD2 4.06Å; L154-L178 HydrophobicContact CD1-CD2 3.83Å; L154-L178 HydrophobicContact CG-CD2 4.47Å; L176-L178 HydrophobicContact CD1-CD2 4.22Å; L176-L178 HydrophobicContact CD2-CD1 4.03Å; L176-L178 HydrophobicContact CD2-CD2 4.29Å; L176-L178 HydrophobicContact CD2-CG 4.13Å; L176-L178 HydrophobicContact CG-CD1 4.43Å; L176-L178 HydrophobicContact CG-CD2 4.18Å; L176-L178 HydrophobicContact CG-CG 4Å; L178-T181 WeakPolarHBondContact O-CB 3.13Å; L178-T181 VanDerWaalsContact O-CG2 3.28Å; L178-T181 WeakPolarHBondContact O-CG2 3.48Å; L178-T181 PolarHBondContact O-N 3Å; L178-T181 PolarHBondContact O-OG1 2.73Å; L178-V183 HydrophobicContact CD1-CG2 4.41Å; L178-L188 HydrophobicContact CD1-CD1 4.04Å; L178-L191 HydrophobicContact CD1-CD1 4.02Å; L178-V202 PolarHBondContact N-O 2.88Å; L178-L203 HydrophobicContact CB-CD2 4.06Å; L178-L203 HydrophobicContact CD1-CD2 4.03Å; L178-C206 PolarHBondContact O-SG 3.28Å | ||
| 179 | S | 96.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 8% | 0.077 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 141.4 | -175.6 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | S155 R156 D177 T181 S204 | S155-S179 CarbonylContact C-O 3.36Å; S155-S179 WeakPolarHBondContact CA-O 3.45Å; S155-S179 WeakPolarHBondContact CB-O 3.32Å; S155-S179 WeakPolarHBondContact CB-OG 3.34Å; R156-S179 PolarHBondContact N-O 3.34Å; D177-S179 WeakPolarHBondContact OD1-CB 3.5Å; D177-S179 PolarHBondContact OD1-N 2.89Å; D177-S179 PolarHBondContact OD1-OG 3.44Å; S179-T181 PolarHBondContact O-N 3.42Å; S179-S204 CarbonylContact C-O 3.39Å; S179-S204 WeakPolarHBondContact CA-O 3.13Å; S179-S204 VanDerWaalsContact CB-O 3.25Å; S179-S204 WeakPolarHBondContact CB-O 3.08Å |
| 180 | W | 95.1 | Very high | 94.3 | Very high | 130 Ų | 130 | 51.3 Ų | 51.3 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 35.2 | 179.2 | -50.9 | 96.6 | 0 | 0 | 0 | 112.8 | R156 S204 W229 | R156-W180 WeakPolarHBondContact CA-O 3.3Å; R156-W180 HydrophobicContact CG-CB 3.87Å; R156-W180 HydrophobicContact CG-CG 4.39Å; W180-S204 PolarHBondContact N-O 2.86Å; W180-W229 HydrophobicContact CH2-CB 4.09Å; W180-W229 HydrophobicContact CZ2-CB 4.34Å |
| 181 | T | 95 | Very high | 94.5 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | trans | -109.8 | 151.4 | 173.9 | 68.6 | 0 | 0 | 0 | 0 | 111 | L154 R157 L178 S179 V183 | L154-T181 WeakPolarHBondContact O-CG2 3.31Å; R157-T181 HydrophobicContact CB-CG2 4.28Å; L178-T181 WeakPolarHBondContact O-CB 3.13Å; L178-T181 VanDerWaalsContact O-CG2 3.28Å; L178-T181 WeakPolarHBondContact O-CG2 3.48Å; L178-T181 PolarHBondContact O-N 3Å; L178-T181 PolarHBondContact O-OG1 2.73Å; S179-T181 PolarHBondContact O-N 3.42Å; T181-V183 PolarHBondContact O-N 3.08Å | ||
| 182 | G | 91.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 68% | 0.68 | 22% | 0.221 | S | C | * | . | trans | -78.2 | 38.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S184 | G182-S184 PolarHBondContact O-N 2.81Š| ||
| 183 | V | 94.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | trans | -61 | 132.7 | 176.3 | 66.6 | 0 | 0 | 0 | 0 | 109.2 | L160 L178 T181 Q187 L188 S210 | L160-V183 HydrophobicContact CD1-CB 3.56Å; L160-V183 HydrophobicContact CD1-CG2 3.88Å; L178-V183 HydrophobicContact CD1-CG2 4.41Å; T181-V183 PolarHBondContact O-N 3.08Å; V183-Q187 HydrophobicContact CG2-CB 3.91Å; V183-L188 HydrophobicContact CG2-CB 4.18Å; V183-S210 WeakPolarHBondContact O-CB 3.37Å; V183-S210 PolarHBondContact O-OG 3.21Å | ||
| 184 | S | 93.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 33% | 0.329 | 24% | 0.243 | S | C | . | . | trans | -89.2 | 158.4 | 175.7 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | G182 K186 Q187 L188 S210 | G182-S184 PolarHBondContact O-N 2.81Å; S184-K186 PolarHBondContact O-N 3.2Å; S184-Q187 PolarHBondContact O-N 3.4Å; S184-Q187 VanDerWaalsContact OG-CD 3.28Å; S184-Q187 VanDerWaalsContact OG-CG 3.25Å; S184-Q187 WeakPolarHBondContact OG-CG 3.5Å; S184-Q187 PolarHBondContact OG-N 2.74Å; S184-Q187 PolarHBondContact OG-OE1 2.86Å; S184-L188 PolarHBondContact O-N 2.93Å; S184-S210 WeakPolarHBondContact CA-OG 3.43Å | ||
| 185 | K | 93.4 | Very high | 94 | Very high | 74 Ų | 74 | 42.5 Ų | 42.5 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -48.7 | -43.7 | 173 | -166.7 | 178.6 | -179.6 | 151.3 | 0 | 112.7 | M189 L209 S210 S212 A213 | K185-M189 WeakPolarHBondContact O-CB 3.43Å; K185-M189 PolarHBondContact O-N 3.29Å; K185-L209 WeakPolarHBondContact CB-O 3.17Å; K185-S210 PolarHBondContact N-OG 3.34Å; K185-S212 WeakPolarHBondContact CD-OG 3.47Å; K185-S212 VanDerWaalsContact CE-OG 3.27Å; K185-S212 WeakPolarHBondContact CE-OG 3.34Å; K185-S212 PolarHBondContact NZ-OG 3.29Å; K185-A213 HydrophobicContact CG-CB 3.7Å; K185-A213 WeakPolarHBondContact O-CB 3.45Å |
| 186 | K | 93.1 | Very high | 93.5 | Very high | 179 Ų | 179 | 48.5 Ų | 48.5 | 78% | 0.778 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66 | -42.5 | 179.8 | -68.8 | -179.9 | -178.3 | 172.1 | 0 | 112.1 | S184 W190 | S184-K186 PolarHBondContact O-N 3.2Å; K186-W190 VanDerWaalsContact O-CB 3.25Å; K186-W190 WeakPolarHBondContact O-CB 3.47Å; K186-W190 PolarHBondContact O-N 2.82Å |
| 187 | Q | 94.6 | Very high | 93.1 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 178.5 | -71.9 | 164.9 | -44.2 | 0 | 0 | 111.3 | L160 L165 V183 S184 W190 L191 | L160-Q187 PolarHBondContact O-NE2 2.77Å; L160-Q187 VanDerWaalsContact O-NE2 3.1Å; L165-Q187 HydrophobicContact CD1-CB 3.9Å; L165-Q187 HydrophobicContact CD1-CG 3.65Å; V183-Q187 HydrophobicContact CG2-CB 3.91Å; S184-Q187 PolarHBondContact O-N 3.4Å; S184-Q187 VanDerWaalsContact OG-CD 3.28Å; S184-Q187 VanDerWaalsContact OG-CG 3.25Å; S184-Q187 WeakPolarHBondContact OG-CG 3.5Å; S184-Q187 PolarHBondContact OG-N 2.74Å; S184-Q187 PolarHBondContact OG-OE1 2.86Å; Q187-W190 WeakPolarHBondContact O-CB 3.5Å; Q187-W190 PolarHBondContact O-N 3.32Å; Q187-L191 WeakPolarHBondContact O-CG 3.34Å; Q187-L191 PolarHBondContact O-N 3.34Å |
| 188 | L | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 177.3 | -176.3 | 57.1 | 0 | 0 | 0 | 111 | L178 V183 S184 W190 L191 L192 L203 S210 A213 | L178-L188 HydrophobicContact CD1-CD1 4.04Å; V183-L188 HydrophobicContact CG2-CB 4.18Å; S184-L188 PolarHBondContact O-N 2.93Å; L188-W190 VanDerWaalsContact C-N 3.29Å; L188-W190 PolarHBondContact O-N 2.77Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 2.69Å; L188-L191 VanDerWaalsContact O-N 3.14Å; L188-L192 HydrophobicContact CD1-CD1 4.28Å; L188-L192 HydrophobicContact CD1-CG 4.19Å; L188-L192 HydrophobicContact CG-CD1 3.95Å; L188-L192 HydrophobicContact CG-CG 4.34Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.45Å; L188-L192 PolarHBondContact O-N 3Å; L188-L203 HydrophobicContact CD1-CD2 4.18Å; L188-L203 HydrophobicContact CD2-CD1 3.9Å; L188-L203 HydrophobicContact CD2-CD2 4.08Å; L188-S210 WeakPolarHBondContact CD2-O 3.12Å; L188-A213 HydrophobicContact CB-CB 4.09Å; L188-A213 HydrophobicContact CD2-CB 4.1Å; L188-A213 HydrophobicContact CG-CB 4.12Å |
| 189 | M | 92.6 | Very high | 92.7 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 29% | 0.286 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 174.4 | -175.1 | -179.5 | -66.6 | 0 | 0 | 112.1 | K185 L191 L192 N193 A213 A217 | K185-M189 WeakPolarHBondContact O-CB 3.43Å; K185-M189 PolarHBondContact O-N 3.29Å; M189-L191 VanDerWaalsContact C-N 3.34Å; M189-L191 PolarHBondContact O-N 3.48Å; M189-L192 PolarHBondContact O-N 2.91Å; M189-N193 WeakPolarHBondContact O-CB 3.34Å; M189-N193 VanDerWaalsContact O-CG 3.27Å; M189-N193 PolarHBondContact O-N 3.47Å; M189-N193 VanDerWaalsContact O-N 3.1Å; M189-N193 PolarHBondContact O-ND2 2.92Å; M189-A213 HydrophobicContact CB-CB 4.23Å; M189-A217 HydrophobicContact CG-CB 4.23Å |
| 190 | W | 93 | Very high | 92.7 | Very high | 71 Ų | 71 | 53 Ų | 53 | 27% | 0.269 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 177.3 | -175.8 | 94 | 0 | 0 | 0 | 112.6 | V90 L165 V169 K186 Q187 L188 R194 | V90-W190 HydrophobicContact CB-CH2 4.33Å; V90-W190 HydrophobicContact CB-CZ2 4.23Å; V90-W190 HydrophobicContact CG2-CH2 4.41Å; V90-W190 HydrophobicContact CG2-CZ2 4.28Å; L165-W190 HydrophobicContact CB-CE3 4.23Å; L165-W190 HydrophobicContact CB-CZ3 3.74Å; V169-W190 HydrophobicContact CB-CH2 4.28Å; V169-W190 HydrophobicContact CB-CZ3 4.35Å; V169-W190 HydrophobicContact CG2-CE3 4.18Å; V169-W190 HydrophobicContact CG2-CH2 3.72Å; V169-W190 HydrophobicContact CG2-CZ3 3.37Å; K186-W190 VanDerWaalsContact O-CB 3.25Å; K186-W190 WeakPolarHBondContact O-CB 3.47Å; K186-W190 PolarHBondContact O-N 2.82Å; Q187-W190 WeakPolarHBondContact O-CB 3.5Å; Q187-W190 PolarHBondContact O-N 3.32Å; L188-W190 VanDerWaalsContact C-N 3.29Å; L188-W190 PolarHBondContact O-N 2.77Å; W190-R194 VanDerWaalsContact NE1-NE 3.14Å; W190-R194 WeakPolarHBondContact O-CG 3.47Å |
| 191 | L | 93.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.3 | -51 | 174.3 | -72.9 | 172.7 | 0 | 0 | 0 | 111.6 | L165 V168 V169 L176 L178 Q187 L188 M189 N193 R194 L195 | L165-L191 HydrophobicContact CB-CD2 4.28Å; L165-L191 HydrophobicContact CD2-CD1 3.93Å; L165-L191 HydrophobicContact CD2-CD2 4.2Å; L165-L191 HydrophobicContact CD2-CG 4.27Å; V168-L191 HydrophobicContact CB-CD2 4.27Å; V168-L191 HydrophobicContact CG1-CD2 4.16Å; V169-L191 HydrophobicContact CG2-CD2 4.02Å; L176-L191 HydrophobicContact CD2-CD1 4.14Å; L178-L191 HydrophobicContact CD1-CD1 4.02Å; Q187-L191 WeakPolarHBondContact O-CG 3.34Å; Q187-L191 PolarHBondContact O-N 3.34Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 2.69Å; L188-L191 VanDerWaalsContact O-N 3.14Å; M189-L191 VanDerWaalsContact C-N 3.34Å; M189-L191 PolarHBondContact O-N 3.48Å; L191-N193 VanDerWaalsContact C-N 3.28Å; L191-N193 PolarHBondContact O-N 2.87Å; L191-R194 CarbonylContact O-C 3.53Å; L191-R194 PolarHBondContact O-N 3.5Å; L191-L195 HydrophobicContact CB-CD1 4.09Å; L191-L195 HydrophobicContact CD2-CD1 4.32Å; L191-L195 WeakPolarHBondContact O-CB 3.35Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 2.92Å |
| 192 | L | 91.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.5 | -41.2 | -177.7 | -68 | 170 | 0 | 0 | 0 | 111.9 | L188 M189 R194 L198 L201 L214 A217 | L188-L192 HydrophobicContact CD1-CD1 4.28Å; L188-L192 HydrophobicContact CD1-CG 4.19Å; L188-L192 HydrophobicContact CG-CD1 3.95Å; L188-L192 HydrophobicContact CG-CG 4.34Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.45Å; L188-L192 PolarHBondContact O-N 3Å; M189-L192 PolarHBondContact O-N 2.91Å; L192-R194 PolarHBondContact O-N 3.21Å; L192-R194 VanDerWaalsContact O-N 3.12Å; L192-L198 HydrophobicContact CD2-CD2 4.41Å; L192-L201 HydrophobicContact CD2-CD2 3.98Å; L192-L214 HydrophobicContact CD1-CD2 3.7Å; L192-L214 HydrophobicContact CD2-CD2 4.23Å; L192-A217 HydrophobicContact CB-CB 4.13Å; L192-A217 HydrophobicContact CD1-CB 3.88Å |
| 193 | N | 90.4 | Very high | 93.2 | Very high | 71 Ų | 71 | 44 Ų | 44 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18.7 | 176.4 | -76.2 | -32 | 0 | 0 | 0 | 114.2 | M189 L191 Q196 P218 | M189-N193 WeakPolarHBondContact O-CB 3.34Å; M189-N193 VanDerWaalsContact O-CG 3.27Å; M189-N193 PolarHBondContact O-N 3.47Å; M189-N193 VanDerWaalsContact O-N 3.1Å; M189-N193 PolarHBondContact O-ND2 2.92Å; L191-N193 VanDerWaalsContact C-N 3.28Å; L191-N193 PolarHBondContact O-N 2.87Å; N193-Q196 PolarHBondContact O-NE2 2.88Å; N193-P218 WeakPolarHBondContact OD1-CD 3.41Å; N193-P218 WeakPolarHBondContact OD1-CG 3.41Å |
| 194 | R | 91.4 | Very high | 93.2 | Very high | 69 Ų | 69 | 44.2 Ų | 44.2 | 26% | 0.26 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -9.7 | -172.6 | -63.7 | 179.2 | -173.2 | -80.1 | -10.9 | 113.6 | V90 V169 Q172 W190 L191 L192 | V90-R194 PolarHBondContact O-NH1 3.21Å; V169-R194 HydrophobicContact CB-CB 4.49Å; V169-R194 HydrophobicContact CG1-CB 3.82Å; V169-R194 HydrophobicContact CG1-CG 4.5Å; V169-R194 HydrophobicContact CG2-CB 3.79Å; Q172-R194 PolarHBondContact NE2-O 2.84Å; Q172-R194 PolarHBondContact OE1-O 2.98Å; W190-R194 VanDerWaalsContact NE1-NE 3.14Å; W190-R194 WeakPolarHBondContact O-CG 3.47Å; L191-R194 CarbonylContact O-C 3.53Å; L191-R194 PolarHBondContact O-N 3.5Å; L192-R194 PolarHBondContact O-N 3.21Å; L192-R194 VanDerWaalsContact O-N 3.12Å |
| 195 | L | 91.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -107.6 | 69 | -177 | -65.9 | 176.9 | 0 | 0 | 0 | 111 | V168 L176 L191 G197 L198 | V168-L195 HydrophobicContact CG1-CD1 4.13Å; V168-L195 HydrophobicContact CG1-CD2 4.36Å; L176-L195 HydrophobicContact CD2-CD1 3.88Å; L191-L195 HydrophobicContact CB-CD1 4.09Å; L191-L195 HydrophobicContact CD2-CD1 4.32Å; L191-L195 WeakPolarHBondContact O-CB 3.35Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 2.92Å; L195-G197 PolarHBondContact O-N 2.94Å; L195-L198 HydrophobicContact CB-CB 4.08Å; L195-L198 HydrophobicContact CD1-CD2 4.43Å; L195-L198 WeakPolarHBondContact O-CB 3.48Å; L195-L198 PolarHBondContact O-N 2.84Å | ||
| 196 | Q | 86.5 | Confident | 93.3 | Very high | 133 Ų | 133 | 39.2 Ų | 39.2 | 62% | 0.621 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -20.1 | -174.5 | -58.6 | -59.2 | -32.8 | 0 | 0 | 113.6 | N193 | N193-Q196 PolarHBondContact O-NE2 2.88Š|
| 197 | G | 88.6 | Confident | 93.3 | Very high | 40 Ų | 40 | 32.9 Ų | 32.9 | 41% | 0.412 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | L195 | L195-G197 PolarHBondContact O-N 2.94Š|
| 198 | L | 92.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | trans | -70.2 | 129.7 | -177.4 | -170.4 | 71 | 0 | 0 | 0 | 110.5 | L176 L192 L195 E200 L201 P220 L222 | L176-L198 HydrophobicContact CB-CD1 3.68Å; L192-L198 HydrophobicContact CD2-CD2 4.41Å; L195-L198 HydrophobicContact CB-CB 4.08Å; L195-L198 HydrophobicContact CD1-CD2 4.43Å; L195-L198 WeakPolarHBondContact O-CB 3.48Å; L195-L198 PolarHBondContact O-N 2.84Å; L198-E200 WeakPolarHBondContact CD1-O 3.16Å; L198-L201 HydrophobicContact CD2-CB 4.21Å; L198-L201 HydrophobicContact CD2-CD1 4.3Å; L198-P220 HydrophobicContact CB-CB 4.32Å; L198-P220 HydrophobicContact CB-CG 3.85Å; L198-P220 HydrophobicContact CD2-CG 4.34Å; L198-L222 HydrophobicContact CD2-CD2 4.12Å; L198-L222 HydrophobicContact CG-CD2 4.03Å | ||
| 199 | Q | 93.9 | Very high | 93 | Very high | 60 Ų | 60 | 38 Ų | 38 | 28% | 0.28 | 20% | 0.199 | S | C | . | . | trans | -118.4 | -31.8 | -180 | -64.2 | -175.4 | 7.5 | 0 | 0 | 112 | R174 L222 R223 L224 | R174-Q199 PolarHBondContact O-N 2.96Å; Q199-L222 CarbonylContact O-C 3.4Å; Q199-L222 WeakPolarHBondContact O-CA 3.3Å; Q199-R223 HydrophobicContact CB-CG 4.38Å; Q199-R223 PolarHBondContact O-N 2.65Å; Q199-L224 PolarHBondContact O-N 2.8Å | ||
| 200 | E | 96.4 | Very high | 93 | Very high | 47 Ų | 47 | 35.8 Ų | 35.8 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.9 | -179.3 | -50.1 | 174.5 | -179.5 | 0 | 0 | 108.7 | R151 R174 A175 L176 L198 L224 | R151-E200 IonicContact CZ-OE2 2.69Å; R151-E200 VanDerWaalsContact CZ-OE2 3.25Å; R151-E200 IonicContact NE-OE2 2.72Å; R151-E200 PolarHBondContact NE-OE2 3.15Å; R151-E200 IonicContact NH2-OE1 2.89Å; R151-E200 PolarHBondContact NH2-OE1 2.98Å; R151-E200 IonicContact NH2-OE2 3.94Å; R151-E200 PolarHBondContact NH2-OE2 2.69Å; R174-E200 PolarHBondContact O-N 2.99Å; A175-E200 CarbonylContact C-O 3.52Å; A175-E200 WeakPolarHBondContact CA-O 3.41Å; A175-E200 HydrophobicContact CB-CB 3.68Å; A175-E200 HydrophobicContact CB-CG 4.16Å; A175-E200 WeakPolarHBondContact CB-OE2 3.31Å; L176-E200 PolarHBondContact N-O 2.73Å; L198-E200 WeakPolarHBondContact CD1-O 3.16Å; E200-L224 WeakPolarHBondContact CA-O 3.45Å; E200-L224 HydrophobicContact CB-CB 4.08Å; E200-L224 HydrophobicContact CB-CD2 4.49Å; E200-L224 HydrophobicContact CG-CB 3.97Å |
| 201 | L | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 121 | 177.3 | 178.7 | 59.8 | 0 | 0 | 0 | 109.7 | L176 L192 L198 L203 L214 L222 L224 L225 D226 | L176-L201 HydrophobicContact CB-CD1 4.48Å; L192-L201 HydrophobicContact CD2-CD2 3.98Å; L198-L201 HydrophobicContact CD2-CB 4.21Å; L198-L201 HydrophobicContact CD2-CD1 4.3Å; L201-L203 HydrophobicContact CD1-CD2 4.14Å; L201-L203 HydrophobicContact CD1-CG 4.2Å; L201-L203 HydrophobicContact CD2-CD1 3.96Å; L201-L203 HydrophobicContact CD2-CG 4.37Å; L201-L203 HydrophobicContact CG-CD1 4.11Å; L201-L203 HydrophobicContact CG-CD2 4.45Å; L201-L203 HydrophobicContact CG-CG 3.99Å; L201-L214 HydrophobicContact CD2-CD2 3.7Å; L201-L222 HydrophobicContact CB-CD1 4.43Å; L201-L222 HydrophobicContact CB-CD2 3.98Å; L201-L222 HydrophobicContact CD2-CD1 4.4Å; L201-L224 PolarHBondContact N-O 2.88Å; L201-L225 HydrophobicContact CB-CD1 4.26Å; L201-L225 HydrophobicContact CD2-CD1 4.25Å; L201-L225 HydrophobicContact CG-CD1 4.32Å; L201-L225 WeakPolarHBondContact O-CA 3.31Å; L201-D226 PolarHBondContact O-N 3.12Å |
| 202 | V | 97.3 | Very high | 92.9 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 11% | 0.109 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.4 | 178.8 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | L176 D177 L178 S204 L224 D226 | L176-V202 PolarHBondContact O-N 2.92Å; D177-V202 HydrophobicContact CB-CB 4.16Å; L178-V202 PolarHBondContact N-O 2.88Å; V202-S204 WeakPolarHBondContact CG1-OG 3.47Å; V202-L224 HydrophobicContact CG2-CD2 4.24Å; V202-D226 HydrophobicContact CB-CB 4.18Å; V202-D226 HydrophobicContact CG1-CB 3.94Å; V202-D226 HydrophobicContact CG2-CB 4.02Å |
| 203 | L | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -127.7 | 25.5 | -177.8 | -62 | 169.9 | 0 | 0 | 0 | 111 | L178 L188 L201 G205 C206 V211 L214 D226 L227 | L178-L203 HydrophobicContact CB-CD2 4.06Å; L178-L203 HydrophobicContact CD1-CD2 4.03Å; L188-L203 HydrophobicContact CD1-CD2 4.18Å; L188-L203 HydrophobicContact CD2-CD1 3.9Å; L188-L203 HydrophobicContact CD2-CD2 4.08Å; L201-L203 HydrophobicContact CD1-CD2 4.14Å; L201-L203 HydrophobicContact CD1-CG 4.2Å; L201-L203 HydrophobicContact CD2-CD1 3.96Å; L201-L203 HydrophobicContact CD2-CG 4.37Å; L201-L203 HydrophobicContact CG-CD1 4.11Å; L201-L203 HydrophobicContact CG-CD2 4.45Å; L201-L203 HydrophobicContact CG-CG 3.99Å; L203-G205 PolarHBondContact O-N 3.26Å; L203-C206 HydrophobicContact CB-CB 4.49Å; L203-C206 WeakPolarHBondContact O-CB 3.44Å; L203-C206 PolarHBondContact O-N 2.83Å; L203-V211 HydrophobicContact CB-CG2 4.21Å; L203-V211 HydrophobicContact CD1-CG1 4.4Å; L203-V211 HydrophobicContact CD1-CG2 4.03Å; L203-L214 HydrophobicContact CD1-CD1 3.91Å; L203-L214 HydrophobicContact CD1-CG 4.35Å; L203-D226 PolarHBondContact N-O 2.92Å; L203-L227 HydrophobicContact CB-CD2 4.18Å; L203-L227 HydrophobicContact CD1-CD2 4.1Å | ||
| 204 | S | 96.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 136.1 | -176.9 | -36.9 | 0 | 0 | 0 | 0 | 110.9 | S179 W180 V202 C206 D226 R228 | S179-S204 CarbonylContact C-O 3.39Å; S179-S204 WeakPolarHBondContact CA-O 3.13Å; S179-S204 VanDerWaalsContact CB-O 3.25Å; S179-S204 WeakPolarHBondContact CB-O 3.08Å; W180-S204 PolarHBondContact N-O 2.86Å; V202-S204 WeakPolarHBondContact CG1-OG 3.47Å; S204-C206 PolarHBondContact O-N 2.69Å; S204-D226 PolarHBondContact OG-OD1 2.9Å; S204-R228 CarbonylContact C-O 3.59Å; S204-R228 WeakPolarHBondContact CA-O 3.15Å; S204-R228 WeakPolarHBondContact CB-O 3.43Å |
| 205 | G | 94.2 | Very high | 92.4 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 14.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | L203 R228 W229 | L203-G205 PolarHBondContact O-N 3.26Å; G205-R228 PolarHBondContact N-O 2.77Å; G205-W229 WeakPolarHBondContact CA-O 3.4Å |
| 206 | C | 93.6 | Very high | 92 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | trans | -85.4 | 164.9 | 168.5 | -70.8 | 0 | 0 | 0 | 0 | 110.7 | L178 L203 S204 V211 I230 | L178-C206 PolarHBondContact O-SG 3.28Å; L203-C206 HydrophobicContact CB-CB 4.49Å; L203-C206 WeakPolarHBondContact O-CB 3.44Å; L203-C206 PolarHBondContact O-N 2.83Å; S204-C206 PolarHBondContact O-N 2.69Å; C206-V211 HydrophobicContact CB-CG2 4.34Å; C206-I230 WeakPolarHBondContact O-CA 3.1Å; C206-I230 WeakPolarHBondContact O-CG2 3.28Å | ||
| 207 | S | 93.1 | Very high | 91.7 | Very high | 47 Ų | 47 | 23.8 Ų | 23.8 | 33% | 0.329 | 15% | 0.149 | S | C | . | . | B | Isolated β-bridge | trans | -77.1 | 143.3 | 172.5 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | L209 S210 V211 | S207-L209 PolarHBondContact O-N 2.78Å; S207-L209 PolarHBondContact OG-N 2.96Å; S207-S210 WeakPolarHBondContact O-CB 3.43Å; S207-S210 PolarHBondContact O-N 2.95Å; S207-S210 VanDerWaalsContact O-N 3.08Å; S207-V211 PolarHBondContact O-N 2.9Å |
| 208 | W | 92.6 | Very high | 91.1 | Very high | 29 Ų | 29 | 25.7 Ų | 25.7 | 11% | 0.11 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.2 | -37.1 | 174 | 172.9 | -108.5 | 0 | 0 | 0 | 113.1 | S210 V211 S212 I230 V233 Q237 E240 L241 | W208-S210 PolarHBondContact O-N 3.47Å; W208-S210 VanDerWaalsContact O-N 3.09Å; W208-V211 HydrophobicContact CE3-CB 4.04Å; W208-V211 HydrophobicContact CE3-CG1 4Å; W208-V211 HydrophobicContact CZ3-CB 4.34Å; W208-V211 HydrophobicContact CZ3-CG1 3.84Å; W208-V211 CarbonylContact O-C 3.43Å; W208-V211 PolarHBondContact O-N 3.47Å; W208-S212 PolarHBondContact O-N 2.79Å; W208-I230 HydrophobicContact CB-CG2 4.1Å; W208-V233 HydrophobicContact CB-CG2 3.93Å; W208-V233 HydrophobicContact CD2-CG2 4.19Å; W208-V233 HydrophobicContact CE3-CG2 3.74Å; W208-V233 HydrophobicContact CG-CG2 4.28Å; W208-Q237 VanDerWaalsContact CD1-CG 3.49Å; W208-Q237 HydrophobicContact CD2-CB 3.69Å; W208-Q237 HydrophobicContact CD2-CG 3.68Å; W208-Q237 VanDerWaalsContact CE2-CB 3.42Å; W208-Q237 HydrophobicContact CE3-CB 4.01Å; W208-Q237 HydrophobicContact CE3-CG 4.48Å; W208-Q237 HydrophobicContact CG-CB 4.29Å; W208-Q237 HydrophobicContact CG-CG 3.78Å; W208-Q237 HydrophobicContact CH2-CB 3.86Å; W208-Q237 WeakPolarHBondContact CH2-O 3.37Å; W208-Q237 HydrophobicContact CZ2-CB 3.53Å; W208-Q237 HydrophobicContact CZ2-CG 3.94Å; W208-Q237 VanDerWaalsContact CZ2-O 3.27Å; W208-Q237 WeakPolarHBondContact CZ2-O 3.38Å; W208-Q237 HydrophobicContact CZ3-CB 4.09Å; W208-E240 HydrophobicContact CZ2-CB 4.28Å; W208-L241 HydrophobicContact CH2-CB 4.07Å |
| 209 | L | 91.9 | Very high | 90.3 | Very high | 125 Ų | 125 | 27.4 Ų | 27.4 | 65% | 0.654 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -53 | -37.9 | 179.1 | -71.5 | 173.4 | 0 | 0 | 0 | 111.7 | K185 S207 S212 | K185-L209 WeakPolarHBondContact CB-O 3.17Å; S207-L209 PolarHBondContact O-N 2.78Å; S207-L209 PolarHBondContact OG-N 2.96Å; L209-S212 PolarHBondContact O-OG 2.97Å |
| 210 | S | 92.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 25.1 Ų | 25.1 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.6 | -44.2 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 112 | V183 S184 K185 L188 S207 W208 S212 A213 | V183-S210 WeakPolarHBondContact O-CB 3.37Å; V183-S210 PolarHBondContact O-OG 3.21Å; S184-S210 WeakPolarHBondContact CA-OG 3.43Å; K185-S210 PolarHBondContact N-OG 3.34Å; L188-S210 WeakPolarHBondContact CD2-O 3.12Å; S207-S210 WeakPolarHBondContact O-CB 3.43Å; S207-S210 PolarHBondContact O-N 2.95Å; S207-S210 VanDerWaalsContact O-N 3.08Å; W208-S210 PolarHBondContact O-N 3.47Å; W208-S210 VanDerWaalsContact O-N 3.09Å; S210-S212 VanDerWaalsContact C-N 3.26Å; S210-S212 PolarHBondContact O-N 3.16Å; S210-A213 WeakPolarHBondContact O-CB 3.37Å; S210-A213 PolarHBondContact O-N 2.88Å |
| 211 | V | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -28.8 | 178.4 | 179.1 | 0 | 0 | 0 | 0 | 112.6 | L203 C206 S207 W208 A213 L214 L227 I230 | L203-V211 HydrophobicContact CB-CG2 4.21Å; L203-V211 HydrophobicContact CD1-CG1 4.4Å; L203-V211 HydrophobicContact CD1-CG2 4.03Å; C206-V211 HydrophobicContact CB-CG2 4.34Å; S207-V211 PolarHBondContact O-N 2.9Å; W208-V211 HydrophobicContact CE3-CB 4.04Å; W208-V211 HydrophobicContact CE3-CG1 4Å; W208-V211 HydrophobicContact CZ3-CB 4.34Å; W208-V211 HydrophobicContact CZ3-CG1 3.84Å; W208-V211 CarbonylContact O-C 3.43Å; W208-V211 PolarHBondContact O-N 3.47Å; V211-A213 PolarHBondContact O-N 2.97Å; V211-L214 HydrophobicContact CG1-CD1 3.74Å; V211-L214 HydrophobicContact CG1-CG 4.42Å; V211-L214 WeakPolarHBondContact O-CB 3.31Å; V211-L214 VanDerWaalsContact O-CG 3.31Å; V211-L214 WeakPolarHBondContact O-CG 3.49Å; V211-L214 PolarHBondContact O-N 3.14Å; V211-L227 HydrophobicContact CG1-CD2 3.77Å; V211-I230 HydrophobicContact CB-CD1 4.29Å; V211-I230 HydrophobicContact CG1-CD1 4.11Å; V211-I230 HydrophobicContact CG2-CD1 3.67Å |
| 212 | S | 91.5 | Very high | 88.6 | Confident | 6 Ų | 6 | 27.1 Ų | 27.1 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -17.5 | 172.2 | 77.2 | 0 | 0 | 0 | 0 | 113.2 | K185 W208 L209 S210 L214 G215 | K185-S212 WeakPolarHBondContact CD-OG 3.47Å; K185-S212 VanDerWaalsContact CE-OG 3.27Å; K185-S212 WeakPolarHBondContact CE-OG 3.34Å; K185-S212 PolarHBondContact NZ-OG 3.29Å; W208-S212 PolarHBondContact O-N 2.79Å; L209-S212 PolarHBondContact O-OG 2.97Å; S210-S212 VanDerWaalsContact C-N 3.26Å; S210-S212 PolarHBondContact O-N 3.16Å; S212-L214 PolarHBondContact O-N 3.22Å; S212-G215 PolarHBondContact O-N 3.16Å |
| 213 | A | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.1 | -33.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | K185 L188 M189 S210 V211 G215 S216 A217 | K185-A213 HydrophobicContact CG-CB 3.7Å; K185-A213 WeakPolarHBondContact O-CB 3.45Å; L188-A213 HydrophobicContact CB-CB 4.09Å; L188-A213 HydrophobicContact CD2-CB 4.1Å; L188-A213 HydrophobicContact CG-CB 4.12Å; M189-A213 HydrophobicContact CB-CB 4.23Å; S210-A213 WeakPolarHBondContact O-CB 3.37Å; S210-A213 PolarHBondContact O-N 2.88Å; V211-A213 PolarHBondContact O-N 2.97Å; A213-G215 PolarHBondContact O-N 2.68Å; A213-S216 PolarHBondContact O-N 3.49Å; A213-A217 VanDerWaalsContact O-CB 3.23Å; A213-A217 WeakPolarHBondContact O-CB 3.48Å; A213-A217 PolarHBondContact O-N 3.04Å |
| 214 | L | 88.5 | Confident | 88.4 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.9 | -41.9 | 174.4 | -65.5 | 176.1 | 0 | 0 | 0 | 109.7 | L192 L201 L203 V211 S212 S216 L219 L225 L227 L241 R258 | L192-L214 HydrophobicContact CD1-CD2 3.7Å; L192-L214 HydrophobicContact CD2-CD2 4.23Å; L201-L214 HydrophobicContact CD2-CD2 3.7Å; L203-L214 HydrophobicContact CD1-CD1 3.91Å; L203-L214 HydrophobicContact CD1-CG 4.35Å; V211-L214 HydrophobicContact CG1-CD1 3.74Å; V211-L214 HydrophobicContact CG1-CG 4.42Å; V211-L214 WeakPolarHBondContact O-CB 3.31Å; V211-L214 VanDerWaalsContact O-CG 3.31Å; V211-L214 WeakPolarHBondContact O-CG 3.49Å; V211-L214 PolarHBondContact O-N 3.14Å; S212-L214 PolarHBondContact O-N 3.22Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 3.08Å; L214-L219 HydrophobicContact CB-CD2 4.12Å; L214-L219 HydrophobicContact CD2-CD2 3.49Å; L214-L219 VanDerWaalsContact CD2-CD2 3.49Å; L214-L219 HydrophobicContact CG-CD2 4.4Å; L214-L225 HydrophobicContact CD1-CD1 3.97Å; L214-L225 HydrophobicContact CD1-CD2 4.18Å; L214-L227 HydrophobicContact CD1-CD2 4.26Å; L214-L241 HydrophobicContact CB-CD1 3.39Å; L214-L241 HydrophobicContact CD1-CD1 3.98Å; L214-L241 HydrophobicContact CG-CD1 4.35Å; L214-R258 VanDerWaalsContact C-NH1 3.29Å; L214-R258 PolarHBondContact O-NH1 3.29Å; L214-R258 PolarHBondContact O-NH2 2.84Å |
| 215 | G | 83.3 | Confident | 88.4 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.9 | -37.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S212 A213 R258 | S212-G215 PolarHBondContact O-N 3.16Å; A213-G215 PolarHBondContact O-N 2.68Å; G215-R258 PolarHBondContact O-NE 3.1Å; G215-R258 PolarHBondContact O-NH2 3.33Å |
| 216 | S | 82.2 | Confident | 88.5 | Confident | 77 Ų | 77 | 32.8 Ų | 32.8 | 54% | 0.538 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -99.6 | -24.3 | -173.6 | -41 | 0 | 0 | 0 | 0 | 114.5 | A213 L214 | A213-S216 PolarHBondContact O-N 3.49Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 3.08Å |
| 217 | A | 79.9 | Confident | 88.6 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -85.6 | 151.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M189 L192 A213 L219 R258 | M189-A217 HydrophobicContact CG-CB 4.23Å; L192-A217 HydrophobicContact CB-CB 4.13Å; L192-A217 HydrophobicContact CD1-CB 3.88Å; A213-A217 VanDerWaalsContact O-CB 3.23Å; A213-A217 WeakPolarHBondContact O-CB 3.48Å; A213-A217 PolarHBondContact O-N 3.04Å; A217-L219 PolarHBondContact O-N 2.72Å; A217-L219 VanDerWaalsContact O-N 3.13Å; A217-R258 PolarHBondContact O-NH2 3.18Å |
| 218 | P | 77.6 | Confident | 88.7 | Confident | 80 Ų | 80 | 34.3 Ų | 34.3 | 52% | 0.519 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -59.8 | 118.1 | 164.3 | 26.5 | -33.3 | 0 | 0 | 0 | 109 | N193 | N193-P218 WeakPolarHBondContact OD1-CD 3.41Å; N193-P218 WeakPolarHBondContact OD1-CG 3.41Å |
| 219 | L | 75.4 | Confident | 88.8 | Confident | 38 Ų | 38 | 38.6 Ų | 38.6 | 20% | 0.199 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 131.3 | 176 | -68.8 | 175.9 | 0 | 0 | 0 | 109.2 | L214 A217 L222 R258 L259 | L214-L219 HydrophobicContact CB-CD2 4.12Å; L214-L219 HydrophobicContact CD2-CD2 3.49Å; L214-L219 VanDerWaalsContact CD2-CD2 3.49Å; L214-L219 HydrophobicContact CG-CD2 4.4Å; A217-L219 PolarHBondContact O-N 2.72Å; A217-L219 VanDerWaalsContact O-N 3.13Å; L219-L222 HydrophobicContact CD2-CD1 4.29Å; L219-R258 HydrophobicContact CD1-CB 4.07Å; L219-L259 HydrophobicContact CD1-CD2 3.77Å |
| 220 | P | 76.8 | Confident | 88.9 | Confident | 13 Ų | 13 | 33 Ų | 33 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 171.3 | 166.8 | 28.3 | -30.1 | 0 | 0 | 0 | 109.5 | L198 L222 | L198-P220 HydrophobicContact CB-CB 4.32Å; L198-P220 HydrophobicContact CB-CG 3.85Å; L198-P220 HydrophobicContact CD2-CG 4.34Å; P220-L222 HydrophobicContact CG-CD2 4.04Å; P220-L222 HydrophobicContact CG-CG 4.12Å; P220-L222 PolarHBondContact O-N 2.94Å |
| 221 | A | 83.5 | Confident | 88.5 | Confident | 84 Ų | 84 | 38.4 Ų | 38.4 | 69% | 0.694 | 20% | 0.201 | S | C | * | . | trans | -69.7 | 69.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R223 | A221-R223 PolarHBondContact O-N 2.89Š| ||
| 222 | L | 90.2 | Very high | 87.8 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | trans | -66.3 | 129.5 | 179.5 | -68.9 | 177.9 | 0 | 0 | 0 | 109.3 | L198 Q199 L201 L219 P220 L225 G261 V262 | L198-L222 HydrophobicContact CD2-CD2 4.12Å; L198-L222 HydrophobicContact CG-CD2 4.03Å; Q199-L222 CarbonylContact O-C 3.4Å; Q199-L222 WeakPolarHBondContact O-CA 3.3Å; L201-L222 HydrophobicContact CB-CD1 4.43Å; L201-L222 HydrophobicContact CB-CD2 3.98Å; L201-L222 HydrophobicContact CD2-CD1 4.4Å; L219-L222 HydrophobicContact CD2-CD1 4.29Å; P220-L222 HydrophobicContact CG-CD2 4.04Å; P220-L222 HydrophobicContact CG-CG 4.12Å; P220-L222 PolarHBondContact O-N 2.94Å; L222-L225 HydrophobicContact CD1-CD1 4.47Å; L222-G261 CarbonylContact O-C 3.56Å; L222-G261 VanDerWaalsContact O-O 3.06Å; L222-V262 HydrophobicContact CB-CG2 4.23Å; L222-V262 WeakPolarHBondContact O-CA 3.46Å; L222-V262 WeakPolarHBondContact O-CG2 3.23Å; L222-V262 PolarHBondContact O-N 2.68Å | ||
| 223 | R | 93.8 | Very high | 87.7 | Confident | 142 Ų | 142 | 45.1 Ų | 45.1 | 54% | 0.536 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -97.9 | -35.3 | 171.8 | -65.1 | 177.4 | 64.1 | -159 | -1.6 | 111 | Q199 A221 A263 E264 | Q199-R223 HydrophobicContact CB-CG 4.38Å; Q199-R223 PolarHBondContact O-N 2.65Å; A221-R223 PolarHBondContact O-N 2.89Å; R223-A263 CarbonylContact O-C 3.41Å; R223-A263 PolarHBondContact O-N 3.3Å; R223-E264 PolarHBondContact O-N 3.44Å |
| 224 | L | 96.1 | Very high | 87.6 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.6 | 179.3 | -173.8 | 159.4 | 0 | 0 | 0 | 109.9 | Q199 E200 L201 V202 D226 E264 | Q199-L224 PolarHBondContact O-N 2.8Å; E200-L224 WeakPolarHBondContact CA-O 3.45Å; E200-L224 HydrophobicContact CB-CB 4.08Å; E200-L224 HydrophobicContact CB-CD2 4.49Å; E200-L224 HydrophobicContact CG-CB 3.97Å; L201-L224 PolarHBondContact N-O 2.88Å; V202-L224 HydrophobicContact CG2-CD2 4.24Å; L224-D226 HydrophobicContact CD2-CB 4.02Å; L224-E264 VanDerWaalsContact CA-O 3.31Å; L224-E264 WeakPolarHBondContact CA-O 3.47Å; L224-E264 HydrophobicContact CB-CB 4.26Å; L224-E264 HydrophobicContact CD1-CB 4.36Å; L224-E264 HydrophobicContact CD1-CG 4.14Å; L224-E264 WeakPolarHBondContact CD1-OE2 3.41Å; L224-E264 HydrophobicContact CG-CB 4.06Å; L224-E264 HydrophobicContact CG-CG 4.04Å |
| 225 | L | 95.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121 | 170.5 | -178.8 | 62 | 0 | 0 | 0 | 109.7 | L201 L214 L222 L227 L241 L259 V262 E264 L265 R266 | L201-L225 HydrophobicContact CB-CD1 4.26Å; L201-L225 HydrophobicContact CD2-CD1 4.25Å; L201-L225 HydrophobicContact CG-CD1 4.32Å; L201-L225 WeakPolarHBondContact O-CA 3.31Å; L214-L225 HydrophobicContact CD1-CD1 3.97Å; L214-L225 HydrophobicContact CD1-CD2 4.18Å; L222-L225 HydrophobicContact CD1-CD1 4.47Å; L225-L227 HydrophobicContact CD1-CD2 3.9Å; L225-L227 HydrophobicContact CD1-CG 4.36Å; L225-L227 HydrophobicContact CD2-CD1 4.05Å; L225-L227 HydrophobicContact CD2-CD2 4.42Å; L225-L227 HydrophobicContact CD2-CG 4.26Å; L225-L227 HydrophobicContact CG-CD1 4.29Å; L225-L227 HydrophobicContact CG-CD2 4.05Å; L225-L227 HydrophobicContact CG-CG 3.95Å; L225-L241 HydrophobicContact CD2-CD2 4.37Å; L225-L259 HydrophobicContact CD2-CD1 4.07Å; L225-L259 HydrophobicContact CD2-CD2 4.03Å; L225-V262 HydrophobicContact CB-CG1 4.44Å; L225-E264 PolarHBondContact N-O 2.85Å; L225-L265 HydrophobicContact CB-CD1 3.99Å; L225-L265 HydrophobicContact CD2-CD1 4.07Å; L225-L265 HydrophobicContact CG-CD1 4.15Å; L225-L265 WeakPolarHBondContact O-CA 3.12Å; L225-R266 PolarHBondContact O-N 2.89Å |
| 226 | D | 96.7 | Very high | 88 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115.4 | -179.4 | -177.1 | -22.9 | 0 | 0 | 0 | 110.3 | L201 V202 L203 S204 L224 R228 R266 | L201-D226 PolarHBondContact O-N 3.12Å; V202-D226 HydrophobicContact CB-CB 4.18Å; V202-D226 HydrophobicContact CG1-CB 3.94Å; V202-D226 HydrophobicContact CG2-CB 4.02Å; L203-D226 PolarHBondContact N-O 2.92Å; S204-D226 PolarHBondContact OG-OD1 2.9Å; L224-D226 HydrophobicContact CD2-CB 4.02Å; D226-R228 VanDerWaalsContact CG-NE 3.28Å; D226-R228 WeakPolarHBondContact OD1-CB 3.37Å; D226-R228 WeakPolarHBondContact OD1-CG 3.25Å; D226-R228 IonicContact OD1-CZ 3.8Å; D226-R228 PolarHBondContact OD1-N 2.76Å; D226-R228 VanDerWaalsContact OD1-N 3.14Å; D226-R228 IonicContact OD1-NE 3.89Å; D226-R228 PolarHBondContact OD1-NE 2.66Å; D226-R228 IonicContact OD1-NH2 3.35Å; D226-R228 IonicContact OD2-CZ 2.78Å; D226-R228 IonicContact OD2-NE 2.88Å; D226-R228 PolarHBondContact OD2-NE 3.18Å; D226-R228 IonicContact OD2-NH2 3.63Å; D226-R228 PolarHBondContact OD2-NH2 2.86Å; D226-R266 HydrophobicContact CB-CB 4.25Å; D226-R266 VanDerWaalsContact OD2-CD 3.31Å; D226-R266 WeakPolarHBondContact OD2-CD 3.37Å; D226-R266 IonicContact OD2-CZ 2.64Å; D226-R266 IonicContact OD2-NH1 2.69Å; D226-R266 PolarHBondContact OD2-NH1 2.82Å |
| 227 | L | 95.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | trans | -123.1 | 26.4 | -175.5 | -59 | -176.3 | 0 | 0 | 0 | 111.1 | L203 V211 L214 L225 I230 L241 R266 L267 | L203-L227 HydrophobicContact CB-CD2 4.18Å; L203-L227 HydrophobicContact CD1-CD2 4.1Å; V211-L227 HydrophobicContact CG1-CD2 3.77Å; L214-L227 HydrophobicContact CD1-CD2 4.26Å; L225-L227 HydrophobicContact CD1-CD2 3.9Å; L225-L227 HydrophobicContact CD1-CG 4.36Å; L225-L227 HydrophobicContact CD2-CD1 4.05Å; L225-L227 HydrophobicContact CD2-CD2 4.42Å; L225-L227 HydrophobicContact CD2-CG 4.26Å; L225-L227 HydrophobicContact CG-CD1 4.29Å; L225-L227 HydrophobicContact CG-CD2 4.05Å; L225-L227 HydrophobicContact CG-CG 3.95Å; L227-I230 HydrophobicContact CB-CD1 3.52Å; L227-I230 HydrophobicContact CB-CG1 4.42Å; L227-I230 HydrophobicContact CD2-CD1 3.76Å; L227-I230 HydrophobicContact CG-CD1 4.12Å; L227-I230 WeakPolarHBondContact O-CG1 3.31Å; L227-L241 HydrophobicContact CD1-CD2 3.63Å; L227-R266 CarbonylContact C-O 3.56Å; L227-R266 WeakPolarHBondContact CA-O 3.42Å; L227-R266 PolarHBondContact N-O 2.8Å; L227-L267 HydrophobicContact CB-CD2 4.11Å; L227-L267 HydrophobicContact CD1-CD2 4.01Å; L227-L267 HydrophobicContact CG-CD2 4.5Å | ||
| 228 | R | 95.9 | Very high | 88.9 | Confident | 79 Ų | 79 | 53.5 Ų | 53.5 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 139.7 | -177 | -64.6 | 178.7 | -71.4 | 166.2 | 2.9 | 111.5 | S204 G205 D226 I230 R266 A268 | S204-R228 CarbonylContact C-O 3.59Å; S204-R228 WeakPolarHBondContact CA-O 3.15Å; S204-R228 WeakPolarHBondContact CB-O 3.43Å; G205-R228 PolarHBondContact N-O 2.77Å; D226-R228 VanDerWaalsContact CG-NE 3.28Å; D226-R228 WeakPolarHBondContact OD1-CB 3.37Å; D226-R228 WeakPolarHBondContact OD1-CG 3.25Å; D226-R228 IonicContact OD1-CZ 3.8Å; D226-R228 PolarHBondContact OD1-N 2.76Å; D226-R228 VanDerWaalsContact OD1-N 3.14Å; D226-R228 IonicContact OD1-NE 3.89Å; D226-R228 PolarHBondContact OD1-NE 2.66Å; D226-R228 IonicContact OD1-NH2 3.35Å; D226-R228 IonicContact OD2-CZ 2.78Å; D226-R228 IonicContact OD2-NE 2.88Å; D226-R228 PolarHBondContact OD2-NE 3.18Å; D226-R228 IonicContact OD2-NH2 3.63Å; D226-R228 PolarHBondContact OD2-NH2 2.86Å; R228-I230 PolarHBondContact O-N 2.91Å; R228-R266 HydrophobicContact CG-CB 3.75Å; R228-A268 CarbonylContact C-O 3.56Å; R228-A268 WeakPolarHBondContact CA-O 3.33Å; R228-A268 HydrophobicContact CB-CB 4.13Å; R228-A268 HydrophobicContact CG-CB 3.6Å |
| 229 | W | 94.3 | Very high | 89.4 | Confident | 119 Ų | 119 | 56.1 Ų | 56.1 | 45% | 0.451 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 34.6 | 173.4 | -52.8 | 105.9 | 0 | 0 | 0 | 114.2 | W180 G205 A268 H294 | W180-W229 HydrophobicContact CH2-CB 4.09Å; W180-W229 HydrophobicContact CZ2-CB 4.34Å; G205-W229 WeakPolarHBondContact CA-O 3.4Å; W229-A268 PolarHBondContact N-O 3.34Å; W229-H294 HydrophobicContact CH2-CB 3.58Å; W229-H294 AromaticContact CH2-CG 3.84Å; W229-H294 HydrophobicContact CZ2-CB 3.92Å; W229-H294 AromaticContact CZ2-CD2 3.84Å; W229-H294 AromaticContact CZ2-CG 3.91Å |
| 230 | I | 93.5 | Very high | 90 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | trans | -73 | 130.1 | 169.3 | -63.3 | 174.3 | 0 | 0 | 0 | 108 | C206 W208 V211 L227 R228 V233 L270 | C206-I230 WeakPolarHBondContact O-CA 3.1Å; C206-I230 WeakPolarHBondContact O-CG2 3.28Å; W208-I230 HydrophobicContact CB-CG2 4.1Å; V211-I230 HydrophobicContact CB-CD1 4.29Å; V211-I230 HydrophobicContact CG1-CD1 4.11Å; V211-I230 HydrophobicContact CG2-CD1 3.67Å; L227-I230 HydrophobicContact CB-CD1 3.52Å; L227-I230 HydrophobicContact CB-CG1 4.42Å; L227-I230 HydrophobicContact CD2-CD1 3.76Å; L227-I230 HydrophobicContact CG-CD1 4.12Å; L227-I230 WeakPolarHBondContact O-CG1 3.31Å; R228-I230 PolarHBondContact O-N 2.91Å; I230-V233 HydrophobicContact CB-CG2 3.75Å; I230-V233 HydrophobicContact CG2-CG2 3.25Å; I230-L270 HydrophobicContact CB-CD2 4.08Å; I230-L270 WeakPolarHBondContact O-CD2 3.29Å | ||
| 231 | E | 84.2 | Confident | 90.6 | Very high | 125 Ų | 125 | 58.2 Ų | 58.2 | 58% | 0.584 | 28% | 0.279 | S | S | * | . | B | Isolated β-bridge | trans | -61.5 | 135.7 | 178.4 | -64.7 | 173.6 | 171.4 | 0 | 0 | 111.4 | V233 | E231-V233 VanDerWaalsContact C-N 3.29Å; E231-V233 PolarHBondContact O-N 3.23Å |
| 232 | D | 78.4 | Confident | 90.7 | Very high | 141 Ų | 141 | 54.2 Ų | 54.2 | 75% | 0.754 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 29.4 | 170.6 | -56.9 | -41.4 | 0 | 0 | 0 | 116.5 | ||
| 233 | V | 88.1 | Confident | 90.3 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | trans | -87 | 117.6 | 173.5 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | W208 I230 E231 Q237 L270 E271 | W208-V233 HydrophobicContact CB-CG2 3.93Å; W208-V233 HydrophobicContact CD2-CG2 4.19Å; W208-V233 HydrophobicContact CE3-CG2 3.74Å; W208-V233 HydrophobicContact CG-CG2 4.28Å; I230-V233 HydrophobicContact CB-CG2 3.75Å; I230-V233 HydrophobicContact CG2-CG2 3.25Å; E231-V233 VanDerWaalsContact C-N 3.29Å; E231-V233 PolarHBondContact O-N 3.23Å; V233-Q237 HydrophobicContact CG1-CB 4.06Å; V233-L270 HydrophobicContact CB-CD1 4.43Å; V233-L270 HydrophobicContact CB-CD2 4.12Å; V233-L270 HydrophobicContact CG1-CD1 4.05Å; V233-E271 PolarHBondContact O-N 2.93Å | ||
| 234 | K | 90.1 | Very high | 89.1 | Confident | 111 Ų | 111 | 51.5 Ų | 51.5 | 48% | 0.483 | 24% | 0.244 | S | C | . | . | trans | -114.4 | -172.2 | 171.3 | -56.8 | -174.3 | 179.2 | -173.9 | 0 | 110.5 | S236 Q237 L238 E271 | K234-S236 VanDerWaalsContact C-N 3.3Å; K234-S236 PolarHBondContact O-N 3.41Å; K234-Q237 PolarHBondContact O-N 3.1Å; K234-Q237 PolarHBondContact O-OE1 3.37Å; K234-L238 PolarHBondContact O-N 3.32Å; K234-E271 VanDerWaalsContact CE-OE2 3.32Å; K234-E271 WeakPolarHBondContact CE-OE2 3.5Å; K234-E271 IonicContact NZ-OE2 4Å | ||
| 235 | D | 89.6 | Confident | 87.8 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.193 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.2 | -32.5 | -178 | -65.5 | -21.1 | 0 | 0 | 0 | 114.6 | R239 L272 T273 S276 | D235-R239 WeakPolarHBondContact O-CB 3.27Å; D235-R239 PolarHBondContact O-N 2.82Å; D235-L272 WeakPolarHBondContact OD1-CA 3.25Å; D235-T273 PolarHBondContact OD1-N 3.24Å; D235-T273 WeakPolarHBondContact OD2-CB 3.44Å; D235-T273 WeakPolarHBondContact OD2-CG2 3.35Å; D235-T273 PolarHBondContact OD2-OG1 3Å; D235-S276 VanDerWaalsContact CA-OG 3.29Å; D235-S276 WeakPolarHBondContact CA-OG 3.11Å; D235-S276 WeakPolarHBondContact CB-OG 3.23Å; D235-S276 VanDerWaalsContact OD1-CB 3.3Å; D235-S276 WeakPolarHBondContact OD1-CB 3.37Å; D235-S276 PolarHBondContact OD1-OG 3.21Å |
| 236 | S | 90 | Very high | 86.1 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 51% | 0.51 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 179.8 | 51.9 | 0 | 0 | 0 | 0 | 112 | K234 R239 E240 | K234-S236 VanDerWaalsContact C-N 3.3Å; K234-S236 PolarHBondContact O-N 3.41Å; S236-R239 WeakPolarHBondContact O-CB 3.3Å; S236-R239 PolarHBondContact O-N 3.23Å; S236-E240 PolarHBondContact O-N 2.66Å |
| 237 | Q | 91 | Very high | 84.2 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67 | -46.7 | 176.1 | -73.4 | 79.9 | 25.6 | 0 | 0 | 111.2 | W208 V233 K234 R239 E240 L241 | W208-Q237 VanDerWaalsContact CD1-CG 3.49Å; W208-Q237 HydrophobicContact CD2-CB 3.69Å; W208-Q237 HydrophobicContact CD2-CG 3.68Å; W208-Q237 VanDerWaalsContact CE2-CB 3.42Å; W208-Q237 HydrophobicContact CE3-CB 4.01Å; W208-Q237 HydrophobicContact CE3-CG 4.48Å; W208-Q237 HydrophobicContact CG-CB 4.29Å; W208-Q237 HydrophobicContact CG-CG 3.78Å; W208-Q237 HydrophobicContact CH2-CB 3.86Å; W208-Q237 WeakPolarHBondContact CH2-O 3.37Å; W208-Q237 HydrophobicContact CZ2-CB 3.53Å; W208-Q237 HydrophobicContact CZ2-CG 3.94Å; W208-Q237 VanDerWaalsContact CZ2-O 3.27Å; W208-Q237 WeakPolarHBondContact CZ2-O 3.38Å; W208-Q237 HydrophobicContact CZ3-CB 4.09Å; V233-Q237 HydrophobicContact CG1-CB 4.06Å; K234-Q237 PolarHBondContact O-N 3.1Å; K234-Q237 PolarHBondContact O-OE1 3.37Å; Q237-R239 VanDerWaalsContact C-N 3.25Å; Q237-R239 PolarHBondContact O-N 3.18Å; Q237-E240 WeakPolarHBondContact O-CB 3.18Å; Q237-E240 PolarHBondContact O-N 3.26Å; Q237-E240 VanDerWaalsContact O-N 3.11Å; Q237-L241 PolarHBondContact O-N 3.27Å; Q237-L241 VanDerWaalsContact O-N 3.1Å |
| 238 | L | 89.7 | Confident | 82.3 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 176.3 | -167.6 | 72.7 | 0 | 0 | 0 | 111.4 | K234 E240 L241 L242 L267 L272 L280 | K234-L238 PolarHBondContact O-N 3.32Å; L238-E240 VanDerWaalsContact C-N 3.35Å; L238-E240 PolarHBondContact O-N 3.29Å; L238-L241 HydrophobicContact CD1-CD2 4.36Å; L238-L241 WeakPolarHBondContact O-CB 3.47Å; L238-L241 PolarHBondContact O-N 3.37Å; L238-L241 VanDerWaalsContact O-N 3.16Å; L238-L242 HydrophobicContact CD1-CD1 4.5Å; L238-L242 HydrophobicContact CD2-CD1 4Å; L238-L242 HydrophobicContact CG-CD1 3.79Å; L238-L242 HydrophobicContact CG-CG 4.2Å; L238-L242 WeakPolarHBondContact O-CB 3.39Å; L238-L242 VanDerWaalsContact O-CG 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.29Å; L238-L242 PolarHBondContact O-N 3.2Å; L238-L267 HydrophobicContact CD1-CD2 4.18Å; L238-L272 HydrophobicContact CB-CD2 4.09Å; L238-L272 HydrophobicContact CD2-CD1 4.03Å; L238-L272 HydrophobicContact CD2-CD2 3.99Å; L238-L280 HydrophobicContact CD2-CD1 4.49Å; L238-L280 HydrophobicContact CD2-CG 4.37Å |
| 239 | R | 89.1 | Confident | 80.4 | Confident | 134 Ų | 134 | 73 Ų | 73 | 51% | 0.506 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 173.3 | 179.6 | 179.5 | 175.2 | 101.2 | 2.6 | 111.9 | D235 S236 Q237 L241 L242 L243 L279 | D235-R239 WeakPolarHBondContact O-CB 3.27Å; D235-R239 PolarHBondContact O-N 2.82Å; S236-R239 WeakPolarHBondContact O-CB 3.3Å; S236-R239 PolarHBondContact O-N 3.23Å; Q237-R239 VanDerWaalsContact C-N 3.25Å; Q237-R239 PolarHBondContact O-N 3.18Å; R239-L241 VanDerWaalsContact C-N 3.29Å; R239-L241 PolarHBondContact O-N 3.38Å; R239-L242 PolarHBondContact O-N 3.04Å; R239-L243 HydrophobicContact CG-CD1 3.42Å; R239-L243 VanDerWaalsContact CG-CD1 3.42Å; R239-L243 HydrophobicContact CG-CG 3.98Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.5Å; R239-L243 PolarHBondContact O-N 3.22Å; R239-L279 HydrophobicContact CB-CD1 3.65Å; R239-L279 HydrophobicContact CG-CD1 3.77Å |
| 240 | E | 88.4 | Confident | 78.1 | Confident | 94 Ų | 94 | 73.1 Ų | 73.1 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 174.5 | -171.8 | -169.8 | 157.3 | 0 | 0 | 112.1 | W208 S236 Q237 L238 | W208-E240 HydrophobicContact CZ2-CB 4.28Å; S236-E240 PolarHBondContact O-N 2.66Å; Q237-E240 WeakPolarHBondContact O-CB 3.18Å; Q237-E240 PolarHBondContact O-N 3.26Å; Q237-E240 VanDerWaalsContact O-N 3.11Å; L238-E240 VanDerWaalsContact C-N 3.35Å; L238-E240 PolarHBondContact O-N 3.29Å |
| 241 | L | 88.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.8 | -42.7 | 179 | -177.8 | 60.9 | 0 | 0 | 0 | 113.2 | W208 L214 L225 L227 Q237 L238 R239 L259 | W208-L241 HydrophobicContact CH2-CB 4.07Å; L214-L241 HydrophobicContact CB-CD1 3.39Å; L214-L241 HydrophobicContact CD1-CD1 3.98Å; L214-L241 HydrophobicContact CG-CD1 4.35Å; L225-L241 HydrophobicContact CD2-CD2 4.37Å; L227-L241 HydrophobicContact CD1-CD2 3.63Å; Q237-L241 PolarHBondContact O-N 3.27Å; Q237-L241 VanDerWaalsContact O-N 3.1Å; L238-L241 HydrophobicContact CD1-CD2 4.36Å; L238-L241 WeakPolarHBondContact O-CB 3.47Å; L238-L241 PolarHBondContact O-N 3.37Å; L238-L241 VanDerWaalsContact O-N 3.16Å; R239-L241 VanDerWaalsContact C-N 3.29Å; R239-L241 PolarHBondContact O-N 3.38Å; L241-L259 HydrophobicContact CD2-CD1 4.43Å |
| 242 | L | 84.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -81.8 | -35.9 | -170.9 | -67 | 176 | 0 | 0 | 0 | 112.9 | L238 R239 L259 L279 L280 H283 | L238-L242 HydrophobicContact CD1-CD1 4.5Å; L238-L242 HydrophobicContact CD2-CD1 4Å; L238-L242 HydrophobicContact CG-CD1 3.79Å; L238-L242 HydrophobicContact CG-CG 4.2Å; L238-L242 WeakPolarHBondContact O-CB 3.39Å; L238-L242 VanDerWaalsContact O-CG 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.29Å; L238-L242 PolarHBondContact O-N 3.2Å; R239-L242 PolarHBondContact O-N 3.04Å; L242-L259 HydrophobicContact CD2-CD1 3.56Å; L242-L259 HydrophobicContact CD2-CG 4.15Å; L242-L279 HydrophobicContact CD1-CB 3.78Å; L242-L280 HydrophobicContact CD1-CD2 3.64Å; L242-L280 HydrophobicContact CD1-CG 4.01Å; L242-L280 HydrophobicContact CD2-CD2 3.76Å; L242-L280 HydrophobicContact CG-CD2 4.32Å; L242-H283 HydrophobicContact CB-CB 4.27Å |
| 243 | L | 81.6 | Confident | 73.2 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 25% | 0.251 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -73.4 | 145.7 | -179.5 | -68.9 | -179.2 | 0 | 0 | 0 | 111.4 | R239 R258 H283 | R239-L243 HydrophobicContact CG-CD1 3.42Å; R239-L243 VanDerWaalsContact CG-CD1 3.42Å; R239-L243 HydrophobicContact CG-CG 3.98Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.5Å; R239-L243 PolarHBondContact O-N 3.22Å; L243-R258 VanDerWaalsContact O-CD 3.27Å; L243-R258 WeakPolarHBondContact O-CD 3.06Å; L243-H283 WeakPolarHBondContact CD2-NE2 3.32Å |
| 244 | P | 70 | Confident | 71.1 | Confident | 41 Ų | 41 | 80.1 Ų | 80.1 | 27% | 0.266 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 148.9 | 169 | 28.2 | -32.9 | 0 | 0 | 0 | 110.2 | ||
| 245 | P | 67.6 | Low | 69.2 | Low | 58 Ų | 58 | 79.5 Ų | 79.5 | 38% | 0.377 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 144.9 | 175.8 | 24.5 | -32.1 | 0 | 0 | 0 | 110.9 | D247 T248 | P245-D247 PolarHBondContact O-N 3.29Å; P245-D247 VanDerWaalsContact O-N 3.12Å; P245-T248 PolarHBondContact O-N 3.13Å; P245-T248 PolarHBondContact O-OG1 3.41Å |
| 246 | P | 60.4 | Low | 67.7 | Low | 124 Ų | 124 | 86.7 Ų | 86.7 | 81% | 0.805 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.8 | -171.8 | 26.3 | -35.3 | 0 | 0 | 0 | 114.5 | T248 | P246-T248 VanDerWaalsContact C-N 3.29Å; P246-T248 PolarHBondContact O-N 2.94Å |
| 247 | D | 56.7 | Low | 66.5 | Low | 156 Ų | 156 | 83.5 Ų | 83.5 | 83% | 0.834 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 1.6 | -175.6 | -69.4 | -30.8 | 0 | 0 | 0 | 114.5 | P245 K249 | P245-D247 PolarHBondContact O-N 3.29Å; P245-D247 VanDerWaalsContact O-N 3.12Å; D247-K249 PolarHBondContact O-N 3.03Å |
| 248 | T | 56.7 | Low | 65.7 | Low | 54 Ų | 54 | 83.7 Ų | 83.7 | 33% | 0.331 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -74.8 | 120.1 | 171.2 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | P245 P246 T253 | P245-T248 PolarHBondContact O-N 3.13Å; P245-T248 PolarHBondContact O-OG1 3.41Å; P246-T248 VanDerWaalsContact C-N 3.29Å; P246-T248 PolarHBondContact O-N 2.94Å; T248-T253 WeakPolarHBondContact CB-OG1 3.14Å; T248-T253 VanDerWaalsContact CG2-OG1 3.24Å; T248-T253 WeakPolarHBondContact CG2-OG1 3.41Å; T248-T253 PolarHBondContact OG1-OG1 2.93Å |
| 249 | K | 54.9 | Low | 65.3 | Low | 157 Ų | 157 | 83.7 Ų | 83.7 | 68% | 0.683 | 45% | 0.447 | S | S | * | . | trans | -44.3 | 133.1 | 178.3 | -64.9 | 178.4 | -179.3 | 178.2 | 0 | 110.9 | D247 G251 Q252 | D247-K249 PolarHBondContact O-N 3.03Å; K249-G251 PolarHBondContact O-N 3.19Å; K249-Q252 PolarHBondContact O-N 3.13Å; K249-Q252 VanDerWaalsContact O-N 3.11Å | ||
| 250 | P | 47.9 | Very low | 64.7 | Low | 121 Ų | 121 | 80.1 Ų | 80.1 | 79% | 0.786 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 106.7 | 175.6 | 24.1 | -31.6 | 0 | 0 | 0 | 108 | ||
| 251 | G | 52.9 | Low | 64.5 | Low | 68 Ų | 68 | 77.6 Ų | 77.6 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130.8 | -13.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | K249 | K249-G251 PolarHBondContact O-N 3.19Š|
| 252 | Q | 51.5 | Low | 64.6 | Low | 162 Ų | 162 | 77.7 Ų | 77.7 | 76% | 0.757 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -110.8 | -14.8 | -177.7 | -121 | 173.1 | 9.1 | 0 | 0 | 116.4 | K249 | K249-Q252 PolarHBondContact O-N 3.13Å; K249-Q252 VanDerWaalsContact O-N 3.11Å |
| 253 | T | 48 | Very low | 65 | Low | 51 Ų | 51 | 79 Ų | 79 | 31% | 0.313 | 45% | 0.447 | S | S | . | . | trans | -153.6 | 36.4 | -179.1 | 41.4 | 0 | 0 | 0 | 0 | 114.1 | T248 S255 | T248-T253 WeakPolarHBondContact CB-OG1 3.14Å; T248-T253 VanDerWaalsContact CG2-OG1 3.24Å; T248-T253 WeakPolarHBondContact CG2-OG1 3.41Å; T248-T253 PolarHBondContact OG1-OG1 2.93Å; T253-S255 PolarHBondContact O-N 3.3Å | ||
| 254 | E | 44.6 | Very low | 65.7 | Low | 146 Ų | 146 | 79.4 Ų | 79.4 | 68% | 0.682 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 0.5 | -178.4 | -70.1 | -68.7 | 149.5 | 0 | 0 | 115 | ||
| 255 | S | 49.1 | Very low | 66.9 | Low | 97 Ų | 97 | 77.5 Ų | 77.5 | 68% | 0.678 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.7 | 3.9 | -172.7 | -63.3 | 0 | 0 | 0 | 0 | 116.6 | T253 Q260 | T253-S255 PolarHBondContact O-N 3.3Å; S255-Q260 PolarHBondContact O-NE2 3.16Å |
| 256 | R | 58.1 | Low | 68.4 | Low | 188 Ų | 188 | 77.6 Ų | 77.6 | 71% | 0.709 | 43% | 0.428 | S | S | * | . | trans | -111.7 | 97.3 | -177.6 | -62.4 | -167.9 | -178.5 | 168.8 | 0.6 | 112.1 | ||||
| 257 | G | 64.7 | Low | 70 | Confident | 6 Ų | 6 | 71.7 Ų | 71.7 | 6% | 0.062 | 39% | 0.39 | C | S | . | . | trans | -57.7 | 153.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L259 Q260 | G257-L259 PolarHBondContact O-N 2.96Å; G257-Q260 WeakPolarHBondContact O-CG 3.39Å; G257-Q260 PolarHBondContact O-N 3.06Å | ||
| 258 | R | 75.5 | Confident | 71.9 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 19% | 0.185 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -18 | -172.3 | -55.4 | -175 | 66.2 | -105.5 | -1.9 | 113.3 | L214 G215 A217 L219 L243 | L214-R258 VanDerWaalsContact C-NH1 3.29Å; L214-R258 PolarHBondContact O-NH1 3.29Å; L214-R258 PolarHBondContact O-NH2 2.84Å; G215-R258 PolarHBondContact O-NE 3.1Å; G215-R258 PolarHBondContact O-NH2 3.33Å; A217-R258 PolarHBondContact O-NH2 3.18Å; L219-R258 HydrophobicContact CD1-CB 4.07Å; L243-R258 VanDerWaalsContact O-CD 3.27Å; L243-R258 WeakPolarHBondContact O-CD 3.06Å |
| 259 | L | 79.8 | Confident | 73.6 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 25 | -177.6 | -56.1 | -172.3 | 0 | 0 | 0 | 113.1 | L219 L225 L241 L242 G257 G261 V262 A284 | L219-L259 HydrophobicContact CD1-CD2 3.77Å; L225-L259 HydrophobicContact CD2-CD1 4.07Å; L225-L259 HydrophobicContact CD2-CD2 4.03Å; L241-L259 HydrophobicContact CD2-CD1 4.43Å; L242-L259 HydrophobicContact CD2-CD1 3.56Å; L242-L259 HydrophobicContact CD2-CG 4.15Å; G257-L259 PolarHBondContact O-N 2.96Å; L259-G261 PolarHBondContact O-N 3.35Å; L259-V262 HydrophobicContact CB-CB 4.2Å; L259-V262 HydrophobicContact CB-CG2 3.72Å; L259-V262 HydrophobicContact CD2-CG2 3.95Å; L259-V262 HydrophobicContact CG-CG2 4.31Å; L259-V262 WeakPolarHBondContact O-CB 3.17Å; L259-V262 PolarHBondContact O-N 3.21Å; L259-A284 HydrophobicContact CB-CB 4.49Å |
| 260 | Q | 77.5 | Confident | 75.4 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.7 | -175.9 | -85.1 | -170.3 | -16.9 | 0 | 0 | 115.2 | S255 G257 Q286 | S255-Q260 PolarHBondContact O-NE2 3.16Å; G257-Q260 WeakPolarHBondContact O-CG 3.39Å; G257-Q260 PolarHBondContact O-N 3.06Å; Q260-Q286 WeakPolarHBondContact O-CB 3.33Å; Q260-Q286 WeakPolarHBondContact O-CG 3.43Å |
| 261 | G | 82.9 | Confident | 77.4 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -2.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | L222 L259 A263 | L222-G261 CarbonylContact O-C 3.56Å; L222-G261 VanDerWaalsContact O-O 3.06Å; L259-G261 PolarHBondContact O-N 3.35Å; G261-A263 PolarHBondContact O-N 2.86Å |
| 262 | V | 90.9 | Very high | 79.2 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | trans | -75.6 | 118.3 | -176.8 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | L222 L225 L259 E264 L265 L287 | L222-V262 HydrophobicContact CB-CG2 4.23Å; L222-V262 WeakPolarHBondContact O-CA 3.46Å; L222-V262 WeakPolarHBondContact O-CG2 3.23Å; L222-V262 PolarHBondContact O-N 2.68Å; L225-V262 HydrophobicContact CB-CG1 4.44Å; L259-V262 HydrophobicContact CB-CB 4.2Å; L259-V262 HydrophobicContact CB-CG2 3.72Å; L259-V262 HydrophobicContact CD2-CG2 3.95Å; L259-V262 HydrophobicContact CG-CG2 4.31Å; L259-V262 WeakPolarHBondContact O-CB 3.17Å; L259-V262 PolarHBondContact O-N 3.21Å; V262-E264 WeakPolarHBondContact CG1-O 3.47Å; V262-L265 HydrophobicContact CG1-CB 4.26Å; V262-L287 HydrophobicContact CG1-CD1 4.2Å | ||
| 263 | A | 93.8 | Very high | 81.2 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 23% | 0.231 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -93.7 | -26.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | R223 G261 S288 A289 | R223-A263 CarbonylContact O-C 3.41Å; R223-A263 PolarHBondContact O-N 3.3Å; G261-A263 PolarHBondContact O-N 2.86Å; A263-S288 CarbonylContact O-C 3.58Å; A263-S288 WeakPolarHBondContact O-CA 3.37Å; A263-S288 PolarHBondContact O-N 3Å; A263-S288 PolarHBondContact O-OG 2.94Å; A263-A289 PolarHBondContact O-N 3.12Å |
| 264 | E | 96.4 | Very high | 83.2 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 124 | 178.9 | -177.7 | 167.6 | 174.6 | 0 | 0 | 111.2 | R223 L224 L225 V262 R266 A289 | R223-E264 PolarHBondContact O-N 3.44Å; L224-E264 VanDerWaalsContact CA-O 3.31Å; L224-E264 WeakPolarHBondContact CA-O 3.47Å; L224-E264 HydrophobicContact CB-CB 4.26Å; L224-E264 HydrophobicContact CD1-CB 4.36Å; L224-E264 HydrophobicContact CD1-CG 4.14Å; L224-E264 WeakPolarHBondContact CD1-OE2 3.41Å; L224-E264 HydrophobicContact CG-CB 4.06Å; L224-E264 HydrophobicContact CG-CG 4.04Å; L225-E264 PolarHBondContact N-O 2.85Å; V262-E264 WeakPolarHBondContact CG1-O 3.47Å; E264-R266 HydrophobicContact CG-CG 4.42Å; E264-R266 IonicContact OE1-CZ 2.97Å; E264-R266 IonicContact OE1-NE 3.55Å; E264-R266 PolarHBondContact OE1-NE 3.01Å; E264-R266 IonicContact OE1-NH2 3.94Å; E264-R266 PolarHBondContact OE1-NH2 2.96Å; E264-A289 VanDerWaalsContact CA-O 3.31Å; E264-A289 WeakPolarHBondContact CA-O 3.34Å; E264-A289 HydrophobicContact CB-CB 3.88Å; E264-A289 HydrophobicContact CG-CB 3.66Å |
| 265 | L | 95.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.3 | -179.3 | -177.2 | 63.3 | 0 | 0 | 0 | 109.1 | L225 V262 L267 L280 L287 A289 L290 D291 | L225-L265 HydrophobicContact CB-CD1 3.99Å; L225-L265 HydrophobicContact CD2-CD1 4.07Å; L225-L265 HydrophobicContact CG-CD1 4.15Å; L225-L265 WeakPolarHBondContact O-CA 3.12Å; V262-L265 HydrophobicContact CG1-CB 4.26Å; L265-L267 HydrophobicContact CD1-CD2 4.07Å; L265-L267 HydrophobicContact CD1-CG 4.42Å; L265-L267 HydrophobicContact CD2-CD1 3.83Å; L265-L267 HydrophobicContact CD2-CD2 4.37Å; L265-L267 HydrophobicContact CD2-CG 4.19Å; L265-L267 HydrophobicContact CG-CD1 4.1Å; L265-L267 HydrophobicContact CG-CD2 4.09Å; L265-L267 HydrophobicContact CG-CG 3.9Å; L265-L280 HydrophobicContact CD2-CD1 4.4Å; L265-L280 HydrophobicContact CD2-CD2 3.48Å; L265-L280 VanDerWaalsContact CD2-CD2 3.48Å; L265-L287 HydrophobicContact CB-CD1 3.5Å; L265-L287 VanDerWaalsContact CB-CD1 3.5Å; L265-L287 HydrophobicContact CB-CD2 4.23Å; L265-A289 PolarHBondContact N-O 3.26Å; L265-L290 WeakPolarHBondContact O-CA 3.07Å; L265-D291 PolarHBondContact O-N 3.33Å |
| 266 | R | 97.1 | Very high | 87.4 | Confident | 61 Ų | 61 | 36.5 Ų | 36.5 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 119.9 | 178.9 | -51.6 | 179.5 | -176.6 | 154.6 | -3.8 | 110.7 | L225 D226 L227 R228 E264 D291 | L225-R266 PolarHBondContact O-N 2.89Å; D226-R266 HydrophobicContact CB-CB 4.25Å; D226-R266 VanDerWaalsContact OD2-CD 3.31Å; D226-R266 WeakPolarHBondContact OD2-CD 3.37Å; D226-R266 IonicContact OD2-CZ 2.64Å; D226-R266 IonicContact OD2-NH1 2.69Å; D226-R266 PolarHBondContact OD2-NH1 2.82Å; L227-R266 CarbonylContact C-O 3.56Å; L227-R266 WeakPolarHBondContact CA-O 3.42Å; L227-R266 PolarHBondContact N-O 2.8Å; R228-R266 HydrophobicContact CG-CB 3.75Å; E264-R266 HydrophobicContact CG-CG 4.42Å; E264-R266 IonicContact OE1-CZ 2.97Å; E264-R266 IonicContact OE1-NE 3.55Å; E264-R266 PolarHBondContact OE1-NE 3.01Å; E264-R266 IonicContact OE1-NH2 3.94Å; E264-R266 PolarHBondContact OE1-NH2 2.96Å; R266-D291 HydrophobicContact CB-CB 3.97Å; R266-D291 HydrophobicContact CG-CB 3.93Å |
| 267 | L | 95.7 | Very high | 89 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -128.2 | 24.6 | -173.5 | -58.9 | 174.4 | 0 | 0 | 0 | 110.9 | L227 L238 L265 L270 L272 L280 D291 L292 C295 | L227-L267 HydrophobicContact CB-CD2 4.11Å; L227-L267 HydrophobicContact CD1-CD2 4.01Å; L227-L267 HydrophobicContact CG-CD2 4.5Å; L238-L267 HydrophobicContact CD1-CD2 4.18Å; L265-L267 HydrophobicContact CD1-CD2 4.07Å; L265-L267 HydrophobicContact CD1-CG 4.42Å; L265-L267 HydrophobicContact CD2-CD1 3.83Å; L265-L267 HydrophobicContact CD2-CD2 4.37Å; L265-L267 HydrophobicContact CD2-CG 4.19Å; L265-L267 HydrophobicContact CG-CD1 4.1Å; L265-L267 HydrophobicContact CG-CD2 4.09Å; L265-L267 HydrophobicContact CG-CG 3.9Å; L267-L270 HydrophobicContact CB-CD1 4Å; L267-L270 HydrophobicContact CD2-CD1 3.98Å; L267-L270 VanDerWaalsContact O-CG 3.29Å; L267-L270 WeakPolarHBondContact O-CG 3.48Å; L267-L272 HydrophobicContact CB-CD1 3.92Å; L267-L272 HydrophobicContact CD1-CD1 3.75Å; L267-L272 HydrophobicContact CG-CD1 4.3Å; L267-L280 HydrophobicContact CD1-CD1 3.79Å; L267-D291 CarbonylContact C-O 3.21Å; L267-D291 WeakPolarHBondContact CA-O 3.34Å; L267-D291 PolarHBondContact N-O 3.29Å; L267-L292 HydrophobicContact CB-CD2 4.13Å; L267-L292 HydrophobicContact CD1-CD2 4.15Å; L267-C295 PolarHBondContact O-SG 3.49Å | ||
| 268 | A | 95.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 141.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R228 W229 L270 S293 | R228-A268 CarbonylContact C-O 3.56Å; R228-A268 WeakPolarHBondContact CA-O 3.33Å; R228-A268 HydrophobicContact CB-CB 4.13Å; R228-A268 HydrophobicContact CG-CB 3.6Å; W229-A268 PolarHBondContact N-O 3.34Å; A268-L270 VanDerWaalsContact C-N 3.28Å; A268-L270 PolarHBondContact O-N 3.25Å; A268-S293 CarbonylContact C-O 3.57Å; A268-S293 WeakPolarHBondContact CA-O 3.23Å; A268-S293 VanDerWaalsContact CB-O 3.32Å; A268-S293 WeakPolarHBondContact CB-O 3.45Å; A268-S293 WeakPolarHBondContact CB-OG 3.37Å |
| 269 | G | 92.1 | Very high | 90.9 | Very high | 20 Ų | 20 | 32.5 Ų | 32.5 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 17.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115 | S293 | G269-S293 PolarHBondContact N-O 3.27Š|
| 270 | L | 93.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | trans | -96.7 | 152.5 | 175.9 | -55.9 | -172.7 | 0 | 0 | 0 | 111.3 | I230 V233 L267 A268 L272 C295 | I230-L270 HydrophobicContact CB-CD2 4.08Å; I230-L270 WeakPolarHBondContact O-CD2 3.29Å; V233-L270 HydrophobicContact CB-CD1 4.43Å; V233-L270 HydrophobicContact CB-CD2 4.12Å; V233-L270 HydrophobicContact CG1-CD1 4.05Å; L267-L270 HydrophobicContact CB-CD1 4Å; L267-L270 HydrophobicContact CD2-CD1 3.98Å; L267-L270 VanDerWaalsContact O-CG 3.29Å; L267-L270 WeakPolarHBondContact O-CG 3.48Å; A268-L270 VanDerWaalsContact C-N 3.28Å; A268-L270 PolarHBondContact O-N 3.25Å; L270-L272 HydrophobicContact CB-CD1 4.09Å; L270-L272 HydrophobicContact CB-CD2 4.4Å; L270-L272 HydrophobicContact CB-CG 3.77Å; L270-L272 HydrophobicContact CD1-CD1 4.19Å; L270-L272 PolarHBondContact O-N 2.93Å; L270-C295 PolarHBondContact O-SG 2.95Å | ||
| 271 | E | 90.2 | Very high | 91.9 | Very high | 103 Ų | 103 | 30.9 Ų | 30.9 | 48% | 0.481 | 17% | 0.172 | S | C | . | . | trans | -86.1 | 58.1 | 178.3 | -64.2 | -170.3 | 162.3 | 0 | 0 | 111.8 | V233 K234 | V233-E271 PolarHBondContact O-N 2.93Å; K234-E271 VanDerWaalsContact CE-OE2 3.32Å; K234-E271 WeakPolarHBondContact CE-OE2 3.5Å; K234-E271 IonicContact NZ-OE2 4Å | ||
| 272 | L | 91.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -93.2 | 137.9 | -176.2 | -58.5 | 178 | 0 | 0 | 0 | 112.5 | D235 L238 L267 L270 H297 | D235-L272 WeakPolarHBondContact OD1-CA 3.25Å; L238-L272 HydrophobicContact CB-CD2 4.09Å; L238-L272 HydrophobicContact CD2-CD1 4.03Å; L238-L272 HydrophobicContact CD2-CD2 3.99Å; L267-L272 HydrophobicContact CB-CD1 3.92Å; L267-L272 HydrophobicContact CD1-CD1 3.75Å; L267-L272 HydrophobicContact CG-CD1 4.3Å; L270-L272 HydrophobicContact CB-CD1 4.09Å; L270-L272 HydrophobicContact CB-CD2 4.4Å; L270-L272 HydrophobicContact CB-CG 3.77Å; L270-L272 HydrophobicContact CD1-CD1 4.19Å; L270-L272 PolarHBondContact O-N 2.93Å; L272-H297 WeakPolarHBondContact O-CB 3.13Å | ||
| 273 | T | 92.1 | Very high | 91.9 | Very high | 51 Ų | 51 | 39 Ų | 39 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | trans | -105.2 | 179.4 | 174.2 | 83.7 | 0 | 0 | 0 | 0 | 112.7 | D235 A275 S276 L277 H297 | D235-T273 PolarHBondContact OD1-N 3.24Å; D235-T273 WeakPolarHBondContact OD2-CB 3.44Å; D235-T273 WeakPolarHBondContact OD2-CG2 3.35Å; D235-T273 PolarHBondContact OD2-OG1 3Å; T273-A275 PolarHBondContact O-N 3.48Å; T273-A275 VanDerWaalsContact O-N 3.11Å; T273-A275 PolarHBondContact OG1-N 3.43Å; T273-S276 WeakPolarHBondContact O-CB 3.18Å; T273-S276 PolarHBondContact O-N 2.8Å; T273-S276 VanDerWaalsContact O-N 3.08Å; T273-L277 PolarHBondContact O-N 3.01Å; T273-H297 HydrophobicContact CG2-CB 4.25Å | ||
| 274 | D | 90.5 | Very high | 91.6 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 23% | 0.225 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.7 | -26.6 | 173.1 | -67.6 | -21.9 | 0 | 0 | 0 | 113.7 | L277 R278 S302 L305 | D274-L277 PolarHBondContact O-N 2.64Å; D274-R278 VanDerWaalsContact O-CG 3.32Å; D274-R278 WeakPolarHBondContact O-CG 3.15Å; D274-R278 PolarHBondContact O-N 2.83Å; D274-S302 VanDerWaalsContact OD1-CA 3.3Å; D274-S302 WeakPolarHBondContact OD1-CA 3.22Å; D274-S302 VanDerWaalsContact OD1-CB 3.3Å; D274-S302 WeakPolarHBondContact OD1-CB 3.08Å; D274-S302 PolarHBondContact OD1-N 2.65Å; D274-S302 PolarHBondContact OD1-OG 2.83Å; D274-L305 HydrophobicContact CB-CD1 3.76Å |
| 275 | A | 90.8 | Very high | 91.1 | Very high | 51 Ų | 51 | 37.1 Ų | 37.1 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T273 R278 L279 | T273-A275 PolarHBondContact O-N 3.48Å; T273-A275 VanDerWaalsContact O-N 3.11Å; T273-A275 PolarHBondContact OG1-N 3.43Å; A275-R278 PolarHBondContact O-N 3.2Å; A275-L279 PolarHBondContact O-N 3.05Å |
| 276 | S | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 174.9 | -83.1 | 0 | 0 | 0 | 0 | 112.5 | D235 T273 R278 L279 L280 | D235-S276 VanDerWaalsContact CA-OG 3.29Å; D235-S276 WeakPolarHBondContact CA-OG 3.11Å; D235-S276 WeakPolarHBondContact CB-OG 3.23Å; D235-S276 VanDerWaalsContact OD1-CB 3.3Å; D235-S276 WeakPolarHBondContact OD1-CB 3.37Å; D235-S276 PolarHBondContact OD1-OG 3.21Å; T273-S276 WeakPolarHBondContact O-CB 3.18Å; T273-S276 PolarHBondContact O-N 2.8Å; T273-S276 VanDerWaalsContact O-N 3.08Å; S276-R278 VanDerWaalsContact C-N 3.35Å; S276-R278 PolarHBondContact O-N 3.44Å; S276-L279 WeakPolarHBondContact O-CB 3.32Å; S276-L279 PolarHBondContact O-N 3.3Å; S276-L279 VanDerWaalsContact O-N 3.13Å; S276-L280 PolarHBondContact O-N 2.97Å |
| 277 | L | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 178 | -61.9 | -179 | 0 | 0 | 0 | 111.8 | T273 D274 L279 L280 L281 L292 S302 | T273-L277 PolarHBondContact O-N 3.01Å; D274-L277 PolarHBondContact O-N 2.64Å; L277-L279 PolarHBondContact O-N 2.94Å; L277-L280 HydrophobicContact CD2-CD1 3.91Å; L277-L280 WeakPolarHBondContact O-CB 3.26Å; L277-L280 PolarHBondContact O-N 3.14Å; L277-L280 VanDerWaalsContact O-N 3.1Å; L277-L281 WeakPolarHBondContact O-CG 3.2Å; L277-L281 PolarHBondContact O-N 2.86Å; L277-L292 HydrophobicContact CD2-CD1 3.78Å; L277-L292 HydrophobicContact CD2-CD2 4.05Å; L277-S302 VanDerWaalsContact CD1-CB 3.42Å |
| 278 | R | 90.9 | Very high | 90.4 | Very high | 139 Ų | 139 | 41.9 Ų | 41.9 | 53% | 0.525 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.8 | -35.2 | 174 | -71.4 | 173.4 | -166.7 | -98 | 5.1 | 112.4 | D274 A275 S276 R282 L305 | D274-R278 VanDerWaalsContact O-CG 3.32Å; D274-R278 WeakPolarHBondContact O-CG 3.15Å; D274-R278 PolarHBondContact O-N 2.83Å; A275-R278 PolarHBondContact O-N 3.2Å; S276-R278 VanDerWaalsContact C-N 3.35Å; S276-R278 PolarHBondContact O-N 3.44Å; R278-R282 WeakPolarHBondContact O-CG 3.47Å; R278-R282 PolarHBondContact O-N 2.94Å; R278-L305 HydrophobicContact CG-CD1 4.12Å; R278-L305 HydrophobicContact CG-CD2 4.38Å |
| 279 | L | 89.1 | Confident | 90.4 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.8 | -40.6 | 174.3 | -65.9 | 173.5 | 0 | 0 | 0 | 111.5 | R239 L242 A275 S276 L277 L281 R282 H283 | R239-L279 HydrophobicContact CB-CD1 3.65Å; R239-L279 HydrophobicContact CG-CD1 3.77Å; L242-L279 HydrophobicContact CD1-CB 3.78Å; A275-L279 PolarHBondContact O-N 3.05Å; S276-L279 WeakPolarHBondContact O-CB 3.32Å; S276-L279 PolarHBondContact O-N 3.3Å; S276-L279 VanDerWaalsContact O-N 3.13Å; L277-L279 PolarHBondContact O-N 2.94Å; L279-L281 VanDerWaalsContact C-N 3.32Å; L279-L281 PolarHBondContact O-N 3.24Å; L279-R282 PolarHBondContact O-N 2.78Å; L279-R282 VanDerWaalsContact O-N 3.11Å; L279-H283 PolarHBondContact O-CD2 3.18Å; L279-H283 VanDerWaalsContact O-CD2 3.28Å; L279-H283 PolarHBondContact O-N 3.04Å |
| 280 | L | 89.6 | Confident | 90.6 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 174.9 | -70.6 | 174.2 | 0 | 0 | 0 | 111.9 | L238 L242 L265 L267 S276 L277 R282 H283 A284 | L238-L280 HydrophobicContact CD2-CD1 4.49Å; L238-L280 HydrophobicContact CD2-CG 4.37Å; L242-L280 HydrophobicContact CD1-CD2 3.64Å; L242-L280 HydrophobicContact CD1-CG 4.01Å; L242-L280 HydrophobicContact CD2-CD2 3.76Å; L242-L280 HydrophobicContact CG-CD2 4.32Å; L265-L280 HydrophobicContact CD2-CD1 4.4Å; L265-L280 HydrophobicContact CD2-CD2 3.48Å; L265-L280 VanDerWaalsContact CD2-CD2 3.48Å; L267-L280 HydrophobicContact CD1-CD1 3.79Å; S276-L280 PolarHBondContact O-N 2.97Å; L277-L280 HydrophobicContact CD2-CD1 3.91Å; L277-L280 WeakPolarHBondContact O-CB 3.26Å; L277-L280 PolarHBondContact O-N 3.14Å; L277-L280 VanDerWaalsContact O-N 3.1Å; L280-R282 PolarHBondContact O-N 2.9Å; L280-H283 PolarHBondContact O-N 3.22Å; L280-A284 PolarHBondContact O-N 3.4Å |
| 281 | L | 88.7 | Confident | 90.8 | Very high | 26 Ų | 26 | 42 Ų | 42 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.2 | -32.4 | 176.6 | -65.1 | -176.7 | 0 | 0 | 0 | 112.8 | L277 L279 L306 S311 P312 L313 | L277-L281 WeakPolarHBondContact O-CG 3.2Å; L277-L281 PolarHBondContact O-N 2.86Å; L279-L281 VanDerWaalsContact C-N 3.32Å; L279-L281 PolarHBondContact O-N 3.24Å; L281-L306 HydrophobicContact CD2-CD2 4.16Å; L281-S311 WeakPolarHBondContact CD2-OG 3.43Å; L281-P312 VanDerWaalsContact O-CG 3.22Å; L281-P312 WeakPolarHBondContact O-CG 3.27Å; L281-L313 HydrophobicContact CD2-CB 4.13Å; L281-L313 HydrophobicContact CD2-CD1 3.48Å; L281-L313 VanDerWaalsContact CD2-CD1 3.48Å; L281-L313 HydrophobicContact CD2-CG 3.54Å |
| 282 | R | 87.3 | Confident | 91 | Very high | 189 Ų | 189 | 37 Ų | 37 | 71% | 0.713 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -84.7 | -36.9 | -179.7 | -67.6 | 178.6 | 177.1 | -167.2 | -1.4 | 113.1 | R278 L279 L280 | R278-R282 WeakPolarHBondContact O-CG 3.47Å; R278-R282 PolarHBondContact O-N 2.94Å; L279-R282 PolarHBondContact O-N 2.78Å; L279-R282 VanDerWaalsContact O-N 3.11Å; L280-R282 PolarHBondContact O-N 2.9Å |
| 283 | H | 86.1 | Confident | 91.2 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 13% | 0.125 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -109.6 | -8.6 | -166.6 | -64.6 | -66.4 | 0 | 0 | 0 | 114.9 | L242 L243 L279 L280 | L242-H283 HydrophobicContact CB-CB 4.27Å; L243-H283 WeakPolarHBondContact CD2-NE2 3.32Å; L279-H283 PolarHBondContact O-CD2 3.18Å; L279-H283 VanDerWaalsContact O-CD2 3.28Å; L279-H283 PolarHBondContact O-N 3.04Å; L280-H283 PolarHBondContact O-N 3.22Å |
| 284 | A | 86.9 | Confident | 91.3 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | trans | -134.3 | 60.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L259 L280 Q286 L287 | L259-A284 HydrophobicContact CB-CB 4.49Å; L280-A284 PolarHBondContact O-N 3.4Å; A284-Q286 VanDerWaalsContact C-N 3.27Å; A284-Q286 PolarHBondContact O-N 2.52Å; A284-L287 PolarHBondContact O-N 2.82Å | ||
| 285 | P | 86.3 | Confident | 91.5 | Very high | 41 Ų | 41 | 37.8 Ų | 37.8 | 27% | 0.266 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15.6 | -173.6 | 30.3 | -37 | 0 | 0 | 0 | 114.4 | L287 P312 | P285-L287 VanDerWaalsContact C-N 3.32Å; P285-P312 HydrophobicContact CB-CB 4.01Å; P285-P312 HydrophobicContact CB-CG 4.08Å |
| 286 | Q | 87.1 | Confident | 91.3 | Very high | 126 Ų | 126 | 37 Ų | 37 | 59% | 0.589 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 9.6 | -179.8 | -61 | -159.5 | -16.7 | 0 | 0 | 113.6 | Q260 A284 S288 | Q260-Q286 WeakPolarHBondContact O-CB 3.33Å; Q260-Q286 WeakPolarHBondContact O-CG 3.43Å; A284-Q286 VanDerWaalsContact C-N 3.27Å; A284-Q286 PolarHBondContact O-N 2.52Å; Q286-S288 PolarHBondContact O-N 3.31Å |
| 287 | L | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -67.1 | 125.9 | -174.8 | -163.6 | 74.6 | 0 | 0 | 0 | 111 | V262 L265 A284 P285 L290 L313 T316 | V262-L287 HydrophobicContact CG1-CD1 4.2Å; L265-L287 HydrophobicContact CB-CD1 3.5Å; L265-L287 VanDerWaalsContact CB-CD1 3.5Å; L265-L287 HydrophobicContact CB-CD2 4.23Å; A284-L287 PolarHBondContact O-N 2.82Å; P285-L287 VanDerWaalsContact C-N 3.32Å; L287-L290 HydrophobicContact CD2-CB 3.72Å; L287-L290 HydrophobicContact CD2-CD1 3.81Å; L287-L290 HydrophobicContact CD2-CD2 4.19Å; L287-L290 HydrophobicContact CD2-CG 4.09Å; L287-L313 HydrophobicContact CB-CD2 3.63Å; L287-L313 HydrophobicContact CD2-CD1 4.45Å; L287-T316 VanDerWaalsContact O-CB 3.29Å; L287-T316 WeakPolarHBondContact O-CB 3.12Å; L287-T316 PolarHBondContact O-OG1 3.3Å | ||
| 288 | S | 94.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 40.6 Ų | 40.6 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | trans | -110.7 | -25.8 | 179.1 | 68.4 | 0 | 0 | 0 | 0 | 113 | A263 Q286 T316 V318 H319 | A263-S288 CarbonylContact O-C 3.58Å; A263-S288 WeakPolarHBondContact O-CA 3.37Å; A263-S288 PolarHBondContact O-N 3Å; A263-S288 PolarHBondContact O-OG 2.94Å; Q286-S288 PolarHBondContact O-N 3.31Å; S288-T316 WeakPolarHBondContact CA-O 3.46Å; S288-V318 WeakPolarHBondContact O-CA 3.32Å; S288-V318 PolarHBondContact O-N 3.46Å; S288-H319 PolarHBondContact O-N 3.28Å | ||
| 289 | A | 96.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 5% | 0.05 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 123.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | A263 E264 L265 H319 | A263-A289 PolarHBondContact O-N 3.12Å; E264-A289 VanDerWaalsContact CA-O 3.31Å; E264-A289 WeakPolarHBondContact CA-O 3.34Å; E264-A289 HydrophobicContact CB-CB 3.88Å; E264-A289 HydrophobicContact CG-CB 3.66Å; L265-A289 PolarHBondContact N-O 3.26Å; A289-H319 CarbonylContact C-O 3.59Å; A289-H319 VanDerWaalsContact CA-O 3.3Å; A289-H319 WeakPolarHBondContact CA-O 3.31Å; A289-H319 HydrophobicContact CB-CB 3.89Å |
| 290 | L | 96.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 124.6 | -179.5 | 179.2 | 56.7 | 0 | 0 | 0 | 109.7 | L265 L287 L292 L306 L317 H319 L320 N321 | L265-L290 WeakPolarHBondContact O-CA 3.07Å; L287-L290 HydrophobicContact CD2-CB 3.72Å; L287-L290 HydrophobicContact CD2-CD1 3.81Å; L287-L290 HydrophobicContact CD2-CD2 4.19Å; L287-L290 HydrophobicContact CD2-CG 4.09Å; L290-L292 HydrophobicContact CD1-CD1 4.48Å; L290-L292 HydrophobicContact CD1-CD2 4.22Å; L290-L292 HydrophobicContact CD1-CG 4.01Å; L290-L292 HydrophobicContact CD2-CD1 3.8Å; L290-L292 HydrophobicContact CD2-CG 4.19Å; L290-L292 HydrophobicContact CG-CD1 4.07Å; L290-L292 HydrophobicContact CG-CG 3.92Å; L290-L306 HydrophobicContact CD2-CD1 4.24Å; L290-L306 HydrophobicContact CD2-CD2 4.08Å; L290-L317 HydrophobicContact CB-CD1 4.29Å; L290-L317 HydrophobicContact CD2-CD1 4.49Å; L290-H319 PolarHBondContact N-O 3.42Å; L290-L320 HydrophobicContact CB-CD1 4.07Å; L290-L320 HydrophobicContact CD2-CD1 4.27Å; L290-L320 HydrophobicContact CG-CD1 4.24Å; L290-L320 WeakPolarHBondContact O-CA 3.08Å; L290-N321 PolarHBondContact O-N 2.82Å |
| 291 | D | 96.6 | Very high | 91.8 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 112.9 | 173.3 | -177.9 | 4.1 | 0 | 0 | 0 | 110.1 | L265 R266 L267 S293 N321 | L265-D291 PolarHBondContact O-N 3.33Å; R266-D291 HydrophobicContact CB-CB 3.97Å; R266-D291 HydrophobicContact CG-CB 3.93Å; L267-D291 CarbonylContact C-O 3.21Å; L267-D291 WeakPolarHBondContact CA-O 3.34Å; L267-D291 PolarHBondContact N-O 3.29Å; D291-S293 VanDerWaalsContact OD1-CB 3.26Å; D291-S293 WeakPolarHBondContact OD1-CB 3.36Å; D291-S293 PolarHBondContact OD1-N 3.44Å; D291-S293 PolarHBondContact OD1-OG 2.99Å; D291-N321 HydrophobicContact CB-CB 4.12Å; D291-N321 PolarHBondContact OD1-ND2 3.23Å; D291-N321 VanDerWaalsContact OD1-ND2 3.08Å |
| 292 | L | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -119.1 | 22.7 | 176 | -66.9 | 170.5 | 0 | 0 | 0 | 110.5 | L267 L277 L290 C295 V298 L306 N321 L322 C325 | L267-L292 HydrophobicContact CB-CD2 4.13Å; L267-L292 HydrophobicContact CD1-CD2 4.15Å; L277-L292 HydrophobicContact CD2-CD1 3.78Å; L277-L292 HydrophobicContact CD2-CD2 4.05Å; L290-L292 HydrophobicContact CD1-CD1 4.48Å; L290-L292 HydrophobicContact CD1-CD2 4.22Å; L290-L292 HydrophobicContact CD1-CG 4.01Å; L290-L292 HydrophobicContact CD2-CD1 3.8Å; L290-L292 HydrophobicContact CD2-CG 4.19Å; L290-L292 HydrophobicContact CG-CD1 4.07Å; L290-L292 HydrophobicContact CG-CG 3.92Å; L292-C295 VanDerWaalsContact O-CB 3.31Å; L292-C295 WeakPolarHBondContact O-CB 3.25Å; L292-C295 PolarHBondContact O-N 3.17Å; L292-C295 PolarHBondContact O-SG 3.49Å; L292-V298 HydrophobicContact CD1-CG1 4.49Å; L292-L306 HydrophobicContact CD1-CD1 4.25Å; L292-N321 PolarHBondContact N-O 3.25Å; L292-L322 HydrophobicContact CB-CD2 3.99Å; L292-L322 HydrophobicContact CD1-CD2 4.25Å; L292-C325 PolarHBondContact O-SG 3.02Å | ||
| 293 | S | 95.1 | Very high | 92.3 | Very high | 10 Ų | 10 | 28.3 Ų | 28.3 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 146.7 | -179.3 | 54.8 | 0 | 0 | 0 | 0 | 112 | A268 G269 D291 C295 N321 A323 | A268-S293 CarbonylContact C-O 3.57Å; A268-S293 WeakPolarHBondContact CA-O 3.23Å; A268-S293 VanDerWaalsContact CB-O 3.32Å; A268-S293 WeakPolarHBondContact CB-O 3.45Å; A268-S293 WeakPolarHBondContact CB-OG 3.37Å; G269-S293 PolarHBondContact N-O 3.27Å; D291-S293 VanDerWaalsContact OD1-CB 3.26Å; D291-S293 WeakPolarHBondContact OD1-CB 3.36Å; D291-S293 PolarHBondContact OD1-N 3.44Å; D291-S293 PolarHBondContact OD1-OG 2.99Å; S293-C295 PolarHBondContact O-N 2.73Å; S293-N321 PolarHBondContact N-O 3.03Å; S293-N321 PolarHBondContact OG-ND2 3.08Å; S293-A323 CarbonylContact C-O 3.59Å; S293-A323 WeakPolarHBondContact CA-O 3.46Å; S293-A323 WeakPolarHBondContact CB-O 3.34Å |
| 294 | H | 94.2 | Very high | 92.6 | Very high | 98 Ų | 98 | 31.2 Ų | 31.2 | 45% | 0.454 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 15.8 | -177.8 | -57 | -82.9 | 0 | 0 | 0 | 115.5 | W229 A296 A323 | W229-H294 HydrophobicContact CH2-CB 3.58Å; W229-H294 AromaticContact CH2-CG 3.84Å; W229-H294 HydrophobicContact CZ2-CB 3.92Å; W229-H294 AromaticContact CZ2-CD2 3.84Å; W229-H294 AromaticContact CZ2-CG 3.91Å; H294-A296 PolarHBondContact O-N 3.47Å; H294-A323 PolarHBondContact N-O 3.32Å |
| 295 | C | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -77.5 | 111.8 | 171 | -66.3 | 0 | 0 | 0 | 0 | 109.9 | L267 L270 L292 S293 H297 V298 | L267-C295 PolarHBondContact O-SG 3.49Å; L270-C295 PolarHBondContact O-SG 2.95Å; L292-C295 VanDerWaalsContact O-CB 3.31Å; L292-C295 WeakPolarHBondContact O-CB 3.25Å; L292-C295 PolarHBondContact O-N 3.17Å; L292-C295 PolarHBondContact O-SG 3.49Å; S293-C295 PolarHBondContact O-N 2.73Å; C295-H297 VanDerWaalsContact C-N 3.3Å; C295-H297 PolarHBondContact O-N 3.18Å; C295-V298 HydrophobicContact CB-CB 4.08Å; C295-V298 HydrophobicContact CB-CG2 3.49Å; C295-V298 VanDerWaalsContact CB-CG2 3.49Å; C295-V298 PolarHBondContact O-N 3.44Å | ||
| 296 | A | 88.2 | Confident | 93.1 | Very high | 36 Ų | 36 | 30.6 Ų | 30.6 | 30% | 0.298 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -26.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H294 H326 R327 | H294-A296 PolarHBondContact O-N 3.47Å; A296-H326 PolarHBondContact O-CE1 2.74Å; A296-H326 PolarHBondContact O-NE2 2.88Å; A296-R327 VanDerWaalsContact O-CD 3.29Å; A296-R327 WeakPolarHBondContact O-CD 3.22Å; A296-R327 PolarHBondContact O-NE 3.28Å; A296-R327 VanDerWaalsContact O-NE 3.16Å |
| 297 | H | 91.8 | Very high | 93.2 | Very high | 75 Ų | 75 | 24.7 Ų | 24.7 | 35% | 0.347 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -4.1 | -175.9 | -59.8 | -65.5 | 0 | 0 | 0 | 113.7 | L272 T273 C295 | L272-H297 WeakPolarHBondContact O-CB 3.13Å; T273-H297 HydrophobicContact CG2-CB 4.25Å; C295-H297 VanDerWaalsContact C-N 3.3Å; C295-H297 PolarHBondContact O-N 3.18Å |
| 298 | V | 92.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -78.5 | 122.6 | 177.1 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | L292 C295 L322 | L292-V298 HydrophobicContact CD1-CG1 4.49Å; C295-V298 HydrophobicContact CB-CB 4.08Å; C295-V298 HydrophobicContact CB-CG2 3.49Å; C295-V298 VanDerWaalsContact CB-CG2 3.49Å; C295-V298 PolarHBondContact O-N 3.44Å; V298-L322 HydrophobicContact CG1-CD2 3.83Å | ||
| 299 | G | 92.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -142.8 | -165.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P301 S302 V303 L328 | G299-P301 VanDerWaalsContact C-CD 3.44Å; G299-S302 PolarHBondContact N-OG 3.39Å; G299-S302 VanDerWaalsContact N-OG 3.07Å; G299-S302 WeakPolarHBondContact O-CA 3.34Å; G299-S302 WeakPolarHBondContact O-CB 3.42Å; G299-S302 PolarHBondContact O-N 2.66Å; G299-S302 PolarHBondContact O-OG 3.32Å; G299-V303 PolarHBondContact O-N 2.94Å; G299-L328 VanDerWaalsContact C-CD2 3.48Å |
| 300 | D | 93.1 | Very high | 92.2 | Very high | 31 Ų | 31 | 34.3 Ų | 34.3 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.8 | -39.2 | -177.5 | -59.3 | -11.4 | 0 | 0 | 0 | 114.2 | S302 V303 H304 L328 T329 C332 | D300-S302 VanDerWaalsContact C-N 3.26Å; D300-S302 PolarHBondContact O-N 2.6Å; D300-V303 PolarHBondContact O-N 3.4Å; D300-H304 PolarHBondContact O-N 3.25Å; D300-L328 WeakPolarHBondContact OD1-CA 3.24Å; D300-T329 PolarHBondContact OD1-N 2.92Å; D300-T329 WeakPolarHBondContact OD2-CB 3.5Å; D300-T329 PolarHBondContact OD2-OG1 3.22Å; D300-C332 HydrophobicContact CB-CB 4.18Å; D300-C332 WeakPolarHBondContact OD1-CB 3.47Å |
| 301 | P | 92.9 | Very high | 91.8 | Very high | 79 Ų | 79 | 34.4 Ų | 34.4 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.4 | -37 | 173.7 | -24.8 | 35.9 | 0 | 0 | 0 | 112.8 | G299 H304 L305 | G299-P301 VanDerWaalsContact C-CD 3.44Å; P301-H304 WeakPolarHBondContact O-CB 3.16Å; P301-H304 PolarHBondContact O-N 3Å; P301-L305 WeakPolarHBondContact O-CG 3.39Å; P301-L305 PolarHBondContact O-N 3.09Å |
| 302 | S | 92.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -47.6 | 175.7 | -47.4 | 0 | 0 | 0 | 0 | 111.3 | D274 L277 G299 D300 H304 L305 L306 | D274-S302 VanDerWaalsContact OD1-CA 3.3Å; D274-S302 WeakPolarHBondContact OD1-CA 3.22Å; D274-S302 VanDerWaalsContact OD1-CB 3.3Å; D274-S302 WeakPolarHBondContact OD1-CB 3.08Å; D274-S302 PolarHBondContact OD1-N 2.65Å; D274-S302 PolarHBondContact OD1-OG 2.83Å; L277-S302 VanDerWaalsContact CD1-CB 3.42Å; G299-S302 PolarHBondContact N-OG 3.39Å; G299-S302 VanDerWaalsContact N-OG 3.07Å; G299-S302 WeakPolarHBondContact O-CA 3.34Å; G299-S302 WeakPolarHBondContact O-CB 3.42Å; G299-S302 PolarHBondContact O-N 2.66Å; G299-S302 PolarHBondContact O-OG 3.32Å; D300-S302 VanDerWaalsContact C-N 3.26Å; D300-S302 PolarHBondContact O-N 2.6Å; S302-H304 VanDerWaalsContact C-N 3.32Å; S302-H304 PolarHBondContact O-N 3.37Å; S302-L305 WeakPolarHBondContact O-CB 3.3Å; S302-L305 PolarHBondContact O-N 2.97Å; S302-L306 WeakPolarHBondContact O-CG 3.21Å; S302-L306 PolarHBondContact O-N 3.33Å |
| 303 | V | 93.1 | Very high | 91 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | G299 D300 L305 L306 T307 L322 L328 C332 L335 F336 | G299-V303 PolarHBondContact O-N 2.94Å; D300-V303 PolarHBondContact O-N 3.4Å; V303-L305 VanDerWaalsContact C-N 3.31Å; V303-L305 PolarHBondContact O-N 2.78Å; V303-L306 PolarHBondContact O-N 2.8Å; V303-T307 HydrophobicContact CG1-CG2 4.05Å; V303-T307 WeakPolarHBondContact O-CB 3.27Å; V303-T307 VanDerWaalsContact O-CG2 3.3Å; V303-T307 WeakPolarHBondContact O-CG2 3.45Å; V303-T307 PolarHBondContact O-N 3Å; V303-T307 PolarHBondContact O-OG1 2.62Å; V303-L322 HydrophobicContact CG2-CD1 4.03Å; V303-L328 HydrophobicContact CG2-CD2 3.58Å; V303-C332 HydrophobicContact CB-CB 4.04Å; V303-C332 HydrophobicContact CG1-CB 4.06Å; V303-C332 HydrophobicContact CG2-CB 4.17Å; V303-L335 HydrophobicContact CB-CD1 4.49Å; V303-L335 HydrophobicContact CG1-CB 4.07Å; V303-L335 HydrophobicContact CG1-CD1 4.11Å; V303-F336 HydrophobicContact CB-CE1 4.48Å; V303-F336 HydrophobicContact CB-CZ 4.39Å; V303-F336 HydrophobicContact CG1-CD1 4.08Å; V303-F336 HydrophobicContact CG1-CE1 3.43Å; V303-F336 VanDerWaalsContact CG1-CE1 3.43Å; V303-F336 HydrophobicContact CG1-CE2 4.26Å; V303-F336 HydrophobicContact CG1-CZ 3.54Å; V303-F336 HydrophobicContact CG2-CE1 4.23Å; V303-F336 HydrophobicContact CG2-CZ 3.89Å |
| 304 | H | 93.4 | Very high | 90.7 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 41% | 0.407 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 174.9 | -174 | -85.2 | 0 | 0 | 0 | 111.9 | D300 P301 S302 T307 A308 L335 | D300-H304 PolarHBondContact O-N 3.25Å; P301-H304 WeakPolarHBondContact O-CB 3.16Å; P301-H304 PolarHBondContact O-N 3Å; S302-H304 VanDerWaalsContact C-N 3.32Å; S302-H304 PolarHBondContact O-N 3.37Å; H304-T307 PolarHBondContact O-N 3.29Å; H304-A308 WeakPolarHBondContact O-CA 3.42Å; H304-A308 VanDerWaalsContact O-CB 3.29Å; H304-A308 WeakPolarHBondContact O-CB 3.38Å; H304-A308 PolarHBondContact O-N 2.87Å; H304-L335 HydrophobicContact CB-CD1 3.99Å |
| 305 | L | 92.6 | Very high | 90.4 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 13% | 0.131 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 175.3 | -71 | 168.9 | 0 | 0 | 0 | 112.2 | D274 R278 P301 S302 V303 T307 S311 | D274-L305 HydrophobicContact CB-CD1 3.76Å; R278-L305 HydrophobicContact CG-CD1 4.12Å; R278-L305 HydrophobicContact CG-CD2 4.38Å; P301-L305 WeakPolarHBondContact O-CG 3.39Å; P301-L305 PolarHBondContact O-N 3.09Å; S302-L305 WeakPolarHBondContact O-CB 3.3Å; S302-L305 PolarHBondContact O-N 2.97Å; V303-L305 VanDerWaalsContact C-N 3.31Å; V303-L305 PolarHBondContact O-N 2.78Å; L305-T307 VanDerWaalsContact C-N 3.33Å; L305-T307 PolarHBondContact O-N 3.03Å; L305-S311 WeakPolarHBondContact O-CB 3.35Å |
| 306 | L | 91.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.9 | -36.1 | -179.8 | -66.5 | 172.9 | 0 | 0 | 0 | 112.5 | L281 L290 L292 S302 V303 S311 L313 | L281-L306 HydrophobicContact CD2-CD2 4.16Å; L290-L306 HydrophobicContact CD2-CD1 4.24Å; L290-L306 HydrophobicContact CD2-CD2 4.08Å; L292-L306 HydrophobicContact CD1-CD1 4.25Å; S302-L306 WeakPolarHBondContact O-CG 3.21Å; S302-L306 PolarHBondContact O-N 3.33Å; V303-L306 PolarHBondContact O-N 2.8Å; L306-S311 VanDerWaalsContact O-CB 3.24Å; L306-S311 WeakPolarHBondContact O-CB 3.23Å; L306-S311 PolarHBondContact O-OG 3.3Å; L306-L313 HydrophobicContact CD2-CD1 3.78Å |
| 307 | T | 89.8 | Confident | 90.4 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -98.5 | -0 | -174.9 | 62.1 | 0 | 0 | 0 | 0 | 114 | V303 H304 L305 L335 F336 | V303-T307 HydrophobicContact CG1-CG2 4.05Å; V303-T307 WeakPolarHBondContact O-CB 3.27Å; V303-T307 VanDerWaalsContact O-CG2 3.3Å; V303-T307 WeakPolarHBondContact O-CG2 3.45Å; V303-T307 PolarHBondContact O-N 3Å; V303-T307 PolarHBondContact O-OG1 2.62Å; H304-T307 PolarHBondContact O-N 3.29Å; L305-T307 VanDerWaalsContact C-N 3.33Å; L305-T307 PolarHBondContact O-N 3.03Å; T307-L335 HydrophobicContact CG2-CB 4.3Å; T307-F336 HydrophobicContact CG2-CD1 4.41Å |
| 308 | A | 90.6 | Very high | 90.5 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 7% | 0.066 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -60.7 | 150.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H304 T310 S311 | H304-A308 WeakPolarHBondContact O-CA 3.42Å; H304-A308 VanDerWaalsContact O-CB 3.29Å; H304-A308 WeakPolarHBondContact O-CB 3.38Å; H304-A308 PolarHBondContact O-N 2.87Å; A308-T310 PolarHBondContact O-N 2.74Å; A308-T310 VanDerWaalsContact O-N 3.12Å; A308-S311 WeakPolarHBondContact O-CB 3.11Å; A308-S311 PolarHBondContact O-N 3.44Å |
| 309 | P | 85.8 | Confident | 90.6 | Very high | 101 Ų | 101 | 40.1 Ų | 40.1 | 66% | 0.656 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.4 | 176 | -24.9 | 34.4 | 0 | 0 | 0 | 114 | S311 | P309-S311 VanDerWaalsContact C-N 3.31Š|
| 310 | T | 85.3 | Confident | 90.7 | Very high | 135 Ų | 135 | 40.3 Ų | 40.3 | 83% | 0.828 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6.5 | 177.6 | 53 | 0 | 0 | 0 | 0 | 113.5 | A308 | A308-T310 PolarHBondContact O-N 2.74Å; A308-T310 VanDerWaalsContact O-N 3.12Å |
| 311 | S | 87.8 | Confident | 90.9 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | trans | -85.2 | 124.2 | -178.4 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | L281 L305 L306 A308 P309 L313 R314 | L281-S311 WeakPolarHBondContact CD2-OG 3.43Å; L305-S311 WeakPolarHBondContact O-CB 3.35Å; L306-S311 VanDerWaalsContact O-CB 3.24Å; L306-S311 WeakPolarHBondContact O-CB 3.23Å; L306-S311 PolarHBondContact O-OG 3.3Å; A308-S311 WeakPolarHBondContact O-CB 3.11Å; A308-S311 PolarHBondContact O-N 3.44Å; P309-S311 VanDerWaalsContact C-N 3.31Å; S311-L313 PolarHBondContact O-N 3.26Å; S311-L313 PolarHBondContact OG-N 3.47Å; S311-R314 WeakPolarHBondContact O-CB 3.5Å; S311-R314 PolarHBondContact O-N 3.48Å | ||
| 312 | P | 87.2 | Confident | 90.9 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 32% | 0.318 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -27.1 | 173 | 26.2 | -32.6 | 0 | 0 | 0 | 111.7 | L281 P285 R314 E315 | L281-P312 VanDerWaalsContact O-CG 3.22Å; L281-P312 WeakPolarHBondContact O-CG 3.27Å; P285-P312 HydrophobicContact CB-CB 4.01Å; P285-P312 HydrophobicContact CB-CG 4.08Å; P312-R314 PolarHBondContact O-N 3.2Å; P312-E315 PolarHBondContact O-N 3.22Å |
| 313 | L | 87.1 | Confident | 91 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -23.4 | -178.1 | -60.6 | -169.2 | 0 | 0 | 0 | 113 | L281 L287 L306 S311 E315 T316 L317 | L281-L313 HydrophobicContact CD2-CB 4.13Å; L281-L313 HydrophobicContact CD2-CD1 3.48Å; L281-L313 VanDerWaalsContact CD2-CD1 3.48Å; L281-L313 HydrophobicContact CD2-CG 3.54Å; L287-L313 HydrophobicContact CB-CD2 3.63Å; L287-L313 HydrophobicContact CD2-CD1 4.45Å; L306-L313 HydrophobicContact CD2-CD1 3.78Å; S311-L313 PolarHBondContact O-N 3.26Å; S311-L313 PolarHBondContact OG-N 3.47Å; L313-E315 PolarHBondContact O-N 3.3Å; L313-T316 WeakPolarHBondContact CA-OG1 3.22Å; L313-T316 PolarHBondContact O-N 3.02Å; L313-L317 HydrophobicContact CB-CD1 4.22Å; L313-L317 HydrophobicContact CD1-CD1 4.45Å; L313-L317 WeakPolarHBondContact O-CB 3.37Å; L313-L317 PolarHBondContact O-N 3.28Å |
| 314 | R | 88.8 | Confident | 90.9 | Very high | 76 Ų | 76 | 37.8 Ų | 37.8 | 29% | 0.287 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -53.1 | -40.3 | 177.6 | -179.3 | -178.5 | 169.7 | -134 | -6.4 | 112.5 | S311 P312 R338 C339 | S311-R314 WeakPolarHBondContact O-CB 3.5Å; S311-R314 PolarHBondContact O-N 3.48Å; P312-R314 PolarHBondContact O-N 3.2Å; R314-R338 VanDerWaalsContact CG-O 3.3Å; R314-R338 WeakPolarHBondContact CG-O 2.99Å; R314-R338 PolarHBondContact NE-O 3.3Å; R314-C339 WeakPolarHBondContact O-CA 3.31Å |
| 315 | E | 88.8 | Confident | 90.9 | Very high | 83 Ų | 83 | 33.6 Ų | 33.6 | 39% | 0.388 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -95.6 | -13.8 | -175.9 | -61.7 | -58.6 | 151.9 | 0 | 0 | 113.5 | P312 L313 P340 R341 | P312-E315 PolarHBondContact O-N 3.22Å; L313-E315 PolarHBondContact O-N 3.3Å; E315-P340 WeakPolarHBondContact OE2-CG 3.17Å; E315-R341 WeakPolarHBondContact O-CD 3.41Å; E315-R341 PolarHBondContact O-NE 3.47Å; E315-R341 PolarHBondContact O-NH1 3.22Å |
| 316 | T | 90.6 | Very high | 90.9 | Very high | 33 Ų | 33 | 36.6 Ų | 36.6 | 20% | 0.202 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -103.6 | -24.6 | -176.9 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | L287 S288 L313 V318 | L287-T316 VanDerWaalsContact O-CB 3.29Å; L287-T316 WeakPolarHBondContact O-CB 3.12Å; L287-T316 PolarHBondContact O-OG1 3.3Å; S288-T316 WeakPolarHBondContact CA-O 3.46Å; L313-T316 WeakPolarHBondContact CA-OG1 3.22Å; L313-T316 PolarHBondContact O-N 3.02Å; T316-V318 WeakPolarHBondContact O-CG2 3.31Å; T316-V318 PolarHBondContact O-N 2.85Å |
| 317 | L | 91.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | trans | -77.6 | 120 | -168.2 | -155.5 | 146.7 | 0 | 0 | 0 | 111.9 | L290 L313 L320 R341 L342 | L290-L317 HydrophobicContact CB-CD1 4.29Å; L290-L317 HydrophobicContact CD2-CD1 4.49Å; L313-L317 HydrophobicContact CB-CD1 4.22Å; L313-L317 HydrophobicContact CD1-CD1 4.45Å; L313-L317 WeakPolarHBondContact O-CB 3.37Å; L313-L317 PolarHBondContact O-N 3.28Å; L317-L320 HydrophobicContact CD1-CD1 4.44Å; L317-L320 HydrophobicContact CD2-CB 3.65Å; L317-L320 HydrophobicContact CD2-CD1 4.34Å; L317-L320 HydrophobicContact CD2-CD2 4.26Å; L317-L320 HydrophobicContact CD2-CG 4.29Å; L317-R341 CarbonylContact O-C 3.5Å; L317-L342 HydrophobicContact CD2-CD1 3.52Å; L317-L342 WeakPolarHBondContact O-CA 3.5Å; L317-L342 PolarHBondContact O-N 3.2Å | ||
| 318 | V | 93.5 | Very high | 91.1 | Very high | 30 Ų | 30 | 42.5 Ų | 42.5 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | trans | -110.2 | -36.8 | -177.1 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | S288 T316 R341 R343 R344 | S288-V318 WeakPolarHBondContact O-CA 3.32Å; S288-V318 PolarHBondContact O-N 3.46Å; T316-V318 WeakPolarHBondContact O-CG2 3.31Å; T316-V318 PolarHBondContact O-N 2.85Å; V318-R341 WeakPolarHBondContact CA-O 3.39Å; V318-R341 HydrophobicContact CG2-CB 4.39Å; V318-R343 HydrophobicContact CG1-CB 3.86Å; V318-R343 HydrophobicContact CG1-CG 3.91Å; V318-R343 PolarHBondContact O-N 2.99Å; V318-R344 PolarHBondContact O-N 3Å | ||
| 319 | H | 94.9 | Very high | 91.2 | Very high | 81 Ų | 81 | 43.9 Ų | 43.9 | 38% | 0.375 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.5 | -179.6 | -55.6 | -48.2 | 0 | 0 | 0 | 110.4 | S288 A289 L290 R344 | S288-H319 PolarHBondContact O-N 3.28Å; A289-H319 CarbonylContact C-O 3.59Å; A289-H319 VanDerWaalsContact CA-O 3.3Å; A289-H319 WeakPolarHBondContact CA-O 3.31Å; A289-H319 HydrophobicContact CB-CB 3.89Å; L290-H319 PolarHBondContact N-O 3.42Å; H319-R344 CarbonylContact C-O 3.48Å; H319-R344 WeakPolarHBondContact CA-O 3.42Å; H319-R344 HydrophobicContact CB-CB 4.35Å; H319-R344 VanDerWaalsContact ND1-CB 3.26Å; H319-R344 WeakPolarHBondContact ND1-CB 3.45Å |
| 320 | L | 94.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 123.7 | 174.7 | -166.6 | 47.1 | 0 | 0 | 0 | 109.5 | L290 L317 L322 F336 L342 R344 L345 D346 | L290-L320 HydrophobicContact CB-CD1 4.07Å; L290-L320 HydrophobicContact CD2-CD1 4.27Å; L290-L320 HydrophobicContact CG-CD1 4.24Å; L290-L320 WeakPolarHBondContact O-CA 3.08Å; L317-L320 HydrophobicContact CD1-CD1 4.44Å; L317-L320 HydrophobicContact CD2-CB 3.65Å; L317-L320 HydrophobicContact CD2-CD1 4.34Å; L317-L320 HydrophobicContact CD2-CD2 4.26Å; L317-L320 HydrophobicContact CD2-CG 4.29Å; L320-L322 HydrophobicContact CD1-CG 4.25Å; L320-L322 HydrophobicContact CD2-CD1 3.8Å; L320-L322 HydrophobicContact CD2-CG 4.37Å; L320-L322 HydrophobicContact CG-CD1 3.93Å; L320-L322 HydrophobicContact CG-CG 3.96Å; L320-F336 HydrophobicContact CD2-CD1 4.07Å; L320-F336 HydrophobicContact CD2-CE1 3.53Å; L320-L342 HydrophobicContact CB-CD1 4.04Å; L320-R344 PolarHBondContact N-O 3.38Å; L320-L345 HydrophobicContact CB-CD1 3.96Å; L320-L345 HydrophobicContact CD2-CD1 4.1Å; L320-L345 HydrophobicContact CG-CD1 4.14Å; L320-L345 WeakPolarHBondContact O-CA 3.27Å; L320-D346 PolarHBondContact O-N 3.46Å |
| 321 | N | 95.6 | Very high | 91.7 | Very high | 33 Ų | 33 | 42.7 Ų | 42.7 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.2 | 169.7 | -175.1 | 8.9 | 0 | 0 | 0 | 109.9 | L290 D291 L292 S293 A323 D346 | L290-N321 PolarHBondContact O-N 2.82Å; D291-N321 HydrophobicContact CB-CB 4.12Å; D291-N321 PolarHBondContact OD1-ND2 3.23Å; D291-N321 VanDerWaalsContact OD1-ND2 3.08Å; L292-N321 PolarHBondContact N-O 3.25Å; S293-N321 PolarHBondContact N-O 3.03Å; S293-N321 PolarHBondContact OG-ND2 3.08Å; N321-A323 VanDerWaalsContact OD1-CB 3.23Å; N321-A323 WeakPolarHBondContact OD1-CB 3.29Å; N321-A323 PolarHBondContact OD1-N 3.5Å; N321-D346 HydrophobicContact CB-CB 4.3Å |
| 322 | L | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -125.4 | 18.2 | 178.4 | -71.8 | 169.5 | 0 | 0 | 0 | 110.8 | L292 V298 V303 L320 G324 C325 L328 F336 L345 D346 L347 C350 | L292-L322 HydrophobicContact CB-CD2 3.99Å; L292-L322 HydrophobicContact CD1-CD2 4.25Å; V298-L322 HydrophobicContact CG1-CD2 3.83Å; V303-L322 HydrophobicContact CG2-CD1 4.03Å; L320-L322 HydrophobicContact CD1-CG 4.25Å; L320-L322 HydrophobicContact CD2-CD1 3.8Å; L320-L322 HydrophobicContact CD2-CG 4.37Å; L320-L322 HydrophobicContact CG-CD1 3.93Å; L320-L322 HydrophobicContact CG-CG 3.96Å; L322-G324 PolarHBondContact O-N 3.09Å; L322-C325 VanDerWaalsContact O-CB 3.31Å; L322-C325 WeakPolarHBondContact O-CB 3.19Å; L322-C325 PolarHBondContact O-N 3.11Å; L322-C325 PolarHBondContact O-SG 3.46Å; L322-L328 HydrophobicContact CB-CD1 3.74Å; L322-L328 HydrophobicContact CD1-CD1 4.04Å; L322-L328 HydrophobicContact CD2-CD1 4.38Å; L322-L328 HydrophobicContact CG-CD1 4.27Å; L322-F336 HydrophobicContact CD1-CE1 3.93Å; L322-F336 HydrophobicContact CD1-CZ 3.65Å; L322-L345 HydrophobicContact CD1-CD1 4.48Å; L322-D346 CarbonylContact C-O 3.59Å; L322-D346 PolarHBondContact N-O 3.38Å; L322-L347 HydrophobicContact CB-CD2 3.88Å; L322-L347 HydrophobicContact CD1-CD2 4.11Å; L322-C350 PolarHBondContact O-SG 3.1Å | ||
| 323 | A | 94.1 | Very high | 92 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 138.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S293 H294 N321 C325 D346 R348 | S293-A323 CarbonylContact C-O 3.59Å; S293-A323 WeakPolarHBondContact CA-O 3.46Å; S293-A323 WeakPolarHBondContact CB-O 3.34Å; H294-A323 PolarHBondContact N-O 3.32Å; N321-A323 VanDerWaalsContact OD1-CB 3.23Å; N321-A323 WeakPolarHBondContact OD1-CB 3.29Å; N321-A323 PolarHBondContact OD1-N 3.5Å; A323-C325 PolarHBondContact O-N 2.95Å; A323-D346 PolarHBondContact N-O 3.35Å; A323-R348 CarbonylContact C-O 3.58Å; A323-R348 WeakPolarHBondContact CA-O 3.49Å; A323-R348 HydrophobicContact CB-CB 4.28Å; A323-R348 WeakPolarHBondContact CB-O 3.47Å |
| 324 | G | 91.4 | Very high | 92 | Very high | 14 Ų | 14 | 44 Ų | 44 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 4.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L322 H326 R348 | L322-G324 PolarHBondContact O-N 3.09Å; G324-H326 PolarHBondContact O-N 2.92Å; G324-R348 PolarHBondContact N-O 3.4Å |
| 325 | C | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -72.7 | 110.8 | 168.6 | -70.3 | 0 | 0 | 0 | 0 | 109.5 | L292 L322 A323 L328 C350 | L292-C325 PolarHBondContact O-SG 3.02Å; L322-C325 VanDerWaalsContact O-CB 3.31Å; L322-C325 WeakPolarHBondContact O-CB 3.19Å; L322-C325 PolarHBondContact O-N 3.11Å; L322-C325 PolarHBondContact O-SG 3.46Å; A323-C325 PolarHBondContact O-N 2.95Å; C325-L328 HydrophobicContact CB-CD1 3.54Å; C325-L328 HydrophobicContact CB-CG 3.91Å; C325-C350 PolarHBondContact O-SG 3.42Å | ||
| 326 | H | 91.4 | Very high | 92 | Very high | 88 Ų | 88 | 37.6 Ų | 37.6 | 41% | 0.407 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -8.3 | -170.9 | 63.1 | -92.4 | 0 | 0 | 0 | 114.6 | A296 G324 Q352 | A296-H326 PolarHBondContact O-CE1 2.74Å; A296-H326 PolarHBondContact O-NE2 2.88Å; G324-H326 PolarHBondContact O-N 2.92Å; H326-Q352 PolarHBondContact O-OE1 2.87Å |
| 327 | R | 92.2 | Very high | 91.7 | Very high | 131 Ų | 131 | 41.2 Ų | 41.2 | 49% | 0.494 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -97 | 5.4 | 178.1 | -60.1 | -174.7 | 173.6 | -135.5 | -5.2 | 113.6 | A296 | A296-R327 VanDerWaalsContact O-CD 3.29Å; A296-R327 WeakPolarHBondContact O-CD 3.22Å; A296-R327 PolarHBondContact O-NE 3.28Å; A296-R327 VanDerWaalsContact O-NE 3.16Å |
| 328 | L | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -86.8 | 126.6 | 177.7 | -69.6 | 175.1 | 0 | 0 | 0 | 110.1 | G299 D300 V303 L322 C325 L347 Q352 | G299-L328 VanDerWaalsContact C-CD2 3.48Å; D300-L328 WeakPolarHBondContact OD1-CA 3.24Å; V303-L328 HydrophobicContact CG2-CD2 3.58Å; L322-L328 HydrophobicContact CB-CD1 3.74Å; L322-L328 HydrophobicContact CD1-CD1 4.04Å; L322-L328 HydrophobicContact CD2-CD1 4.38Å; L322-L328 HydrophobicContact CG-CD1 4.27Å; C325-L328 HydrophobicContact CB-CD1 3.54Å; C325-L328 HydrophobicContact CB-CG 3.91Å; L328-L347 HydrophobicContact CD1-CD2 4.21Å; L328-Q352 WeakPolarHBondContact O-CB 3.42Å | ||
| 329 | T | 93 | Very high | 91.3 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 23% | 0.233 | 21% | 0.214 | C | C | . | . | trans | -115.9 | 169.5 | 178.9 | 84.5 | 0 | 0 | 0 | 0 | 111.4 | D300 H331 C332 L353 | D300-T329 PolarHBondContact OD1-N 2.92Å; D300-T329 WeakPolarHBondContact OD2-CB 3.5Å; D300-T329 PolarHBondContact OD2-OG1 3.22Å; T329-H331 PolarHBondContact O-N 3.42Å; T329-H331 WeakPolarHBondContact OG1-CB 3.42Å; T329-H331 PolarHBondContact OG1-CD2 3.26Å; T329-H331 PolarHBondContact OG1-N 3.02Å; T329-C332 PolarHBondContact O-N 2.99Å; T329-C332 PolarHBondContact O-SG 3.49Å; T329-L353 VanDerWaalsContact O-CD2 3.27Å; T329-L353 WeakPolarHBondContact O-CD2 3.44Å | ||
| 330 | D | 91.9 | Very high | 90.9 | Very high | 51 Ų | 51 | 43.4 Ų | 43.4 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -57.4 | -19.2 | 179.8 | -69.6 | -11.3 | 0 | 0 | 0 | 113 | C332 L333 L353 S354 A357 | D330-C332 VanDerWaalsContact C-N 3.28Å; D330-C332 PolarHBondContact O-N 3.43Å; D330-L333 HydrophobicContact CB-CD1 4.35Å; D330-L333 PolarHBondContact O-N 3.1Å; D330-L353 WeakPolarHBondContact OD1-CA 3.12Å; D330-L353 WeakPolarHBondContact OD1-CD2 3.42Å; D330-S354 PolarHBondContact OD1-N 2.57Å; D330-S354 WeakPolarHBondContact OD2-CB 3.29Å; D330-S354 PolarHBondContact OD2-OG 3.23Å; D330-A357 HydrophobicContact CB-CB 3.98Å; D330-A357 VanDerWaalsContact CG-CB 3.42Å; D330-A357 WeakPolarHBondContact OD2-CB 3.3Å |
| 331 | H | 90.8 | Very high | 90.6 | Very high | 159 Ų | 159 | 50.3 Ų | 50.3 | 74% | 0.736 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -64.6 | -25.8 | 176.2 | -63.7 | -40.6 | 0 | 0 | 0 | 114 | T329 P334 | T329-H331 PolarHBondContact O-N 3.42Å; T329-H331 WeakPolarHBondContact OG1-CB 3.42Å; T329-H331 PolarHBondContact OG1-CD2 3.26Å; T329-H331 PolarHBondContact OG1-N 3.02Å; H331-P334 WeakPolarHBondContact O-CD 3.29Å |
| 332 | C | 90.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -79.5 | -21.6 | 178.5 | 73.4 | 0 | 0 | 0 | 0 | 113.5 | D300 V303 T329 D330 L335 | D300-C332 HydrophobicContact CB-CB 4.18Å; D300-C332 WeakPolarHBondContact OD1-CB 3.47Å; V303-C332 HydrophobicContact CB-CB 4.04Å; V303-C332 HydrophobicContact CG1-CB 4.06Å; V303-C332 HydrophobicContact CG2-CB 4.17Å; T329-C332 PolarHBondContact O-N 2.99Å; T329-C332 PolarHBondContact O-SG 3.49Å; D330-C332 VanDerWaalsContact C-N 3.28Å; D330-C332 PolarHBondContact O-N 3.43Å; C332-L335 HydrophobicContact CB-CD1 4.38Å; C332-L335 WeakPolarHBondContact O-CB 3.47Å; C332-L335 WeakPolarHBondContact O-CG 3.47Å; C332-L335 PolarHBondContact O-N 3.31Å |
| 333 | L | 89.1 | Confident | 90.1 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -58.6 | -44.7 | -172.5 | -65.1 | 172.9 | 0 | 0 | 0 | 113.9 | D330 L335 F336 L347 L353 A357 L361 | D330-L333 HydrophobicContact CB-CD1 4.35Å; D330-L333 PolarHBondContact O-N 3.1Å; L333-L335 PolarHBondContact O-N 2.97Å; L333-F336 HydrophobicContact CD2-CD2 4.41Å; L333-F336 HydrophobicContact CD2-CE2 4.26Å; L333-F336 PolarHBondContact O-N 3.11Å; L333-L347 HydrophobicContact CD2-CD1 3.56Å; L333-L353 HydrophobicContact CD1-CD2 4.25Å; L333-L353 HydrophobicContact CD2-CD2 4.28Å; L333-L353 HydrophobicContact CG-CD2 4.17Å; L333-A357 HydrophobicContact CD1-CB 3.39Å; L333-L361 HydrophobicContact CB-CD2 4.05Å; L333-L361 HydrophobicContact CD2-CD2 3.87Å; L333-L361 WeakPolarHBondContact O-CD1 3.27Å |
| 334 | P | 88.1 | Confident | 90 | Very high | 80 Ų | 80 | 59.1 Ų | 59.1 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -62 | -24.2 | 176.8 | -22.2 | 34.7 | 0 | 0 | 0 | 113.4 | H331 F336 R337 | H331-P334 WeakPolarHBondContact O-CD 3.29Å; P334-F336 VanDerWaalsContact C-N 3.31Å; P334-F336 PolarHBondContact O-N 2.99Å; P334-R337 WeakPolarHBondContact O-CB 3.49Å; P334-R337 PolarHBondContact O-N 3.26Å |
| 335 | L | 89.4 | Confident | 90 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -68 | -31.6 | -178.3 | -53.8 | 177.1 | 0 | 0 | 0 | 111.7 | V303 H304 T307 C332 L333 R337 R338 | V303-L335 HydrophobicContact CB-CD1 4.49Å; V303-L335 HydrophobicContact CG1-CB 4.07Å; V303-L335 HydrophobicContact CG1-CD1 4.11Å; H304-L335 HydrophobicContact CB-CD1 3.99Å; T307-L335 HydrophobicContact CG2-CB 4.3Å; C332-L335 HydrophobicContact CB-CD1 4.38Å; C332-L335 WeakPolarHBondContact O-CB 3.47Å; C332-L335 WeakPolarHBondContact O-CG 3.47Å; C332-L335 PolarHBondContact O-N 3.31Å; L333-L335 PolarHBondContact O-N 2.97Å; L335-R337 PolarHBondContact O-N 3.13Å; L335-R338 VanDerWaalsContact O-CB 3.23Å; L335-R338 WeakPolarHBondContact O-CB 3.24Å; L335-R338 WeakPolarHBondContact O-CG 3.47Å; L335-R338 PolarHBondContact O-N 3.05Å |
| 336 | F | 88.2 | Confident | 90 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -64.5 | -23 | 177.8 | -61.4 | -60.6 | 0 | 0 | 0 | 113.2 | V303 T307 L320 L322 L333 P334 R338 C339 L342 L345 L347 L361 | V303-F336 HydrophobicContact CB-CE1 4.48Å; V303-F336 HydrophobicContact CB-CZ 4.39Å; V303-F336 HydrophobicContact CG1-CD1 4.08Å; V303-F336 HydrophobicContact CG1-CE1 3.43Å; V303-F336 VanDerWaalsContact CG1-CE1 3.43Å; V303-F336 HydrophobicContact CG1-CE2 4.26Å; V303-F336 HydrophobicContact CG1-CZ 3.54Å; V303-F336 HydrophobicContact CG2-CE1 4.23Å; V303-F336 HydrophobicContact CG2-CZ 3.89Å; T307-F336 HydrophobicContact CG2-CD1 4.41Å; L320-F336 HydrophobicContact CD2-CD1 4.07Å; L320-F336 HydrophobicContact CD2-CE1 3.53Å; L322-F336 HydrophobicContact CD1-CE1 3.93Å; L322-F336 HydrophobicContact CD1-CZ 3.65Å; L333-F336 HydrophobicContact CD2-CD2 4.41Å; L333-F336 HydrophobicContact CD2-CE2 4.26Å; L333-F336 PolarHBondContact O-N 3.11Å; P334-F336 VanDerWaalsContact C-N 3.31Å; P334-F336 PolarHBondContact O-N 2.99Å; F336-R338 PolarHBondContact O-N 3.36Å; F336-C339 PolarHBondContact O-N 3.28Å; F336-C339 VanDerWaalsContact O-N 3.13Å; F336-L342 HydrophobicContact CB-CD2 4.02Å; F336-L342 HydrophobicContact CD1-CD2 4.34Å; F336-L342 HydrophobicContact CG-CD2 4.49Å; F336-L345 HydrophobicContact CB-CD2 3.98Å; F336-L345 HydrophobicContact CD1-CD1 4.21Å; F336-L345 HydrophobicContact CD1-CD2 4.06Å; F336-L345 HydrophobicContact CD2-CD2 3.49Å; F336-L345 VanDerWaalsContact CD2-CD2 3.49Å; F336-L345 HydrophobicContact CE1-CD1 3.98Å; F336-L345 HydrophobicContact CE1-CD2 4.45Å; F336-L345 HydrophobicContact CE2-CD1 4.36Å; F336-L345 HydrophobicContact CE2-CD2 3.94Å; F336-L345 HydrophobicContact CG-CD2 3.56Å; F336-L345 HydrophobicContact CZ-CD1 4.06Å; F336-L345 HydrophobicContact CZ-CD2 4.39Å; F336-L347 HydrophobicContact CE2-CD1 4.3Å; F336-L347 HydrophobicContact CE2-CD2 4.4Å; F336-L347 HydrophobicContact CZ-CD2 4.4Å; F336-L361 HydrophobicContact CD2-CD2 4.21Å |
| 337 | R | 83.9 | Confident | 90 | Very high | 109 Ų | 109 | 54.4 Ų | 54.4 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -65.1 | -19.1 | 174.5 | -55.6 | -178.7 | 83.6 | -176.2 | 1.4 | 112.5 | P334 L335 C339 L361 A364 | P334-R337 WeakPolarHBondContact O-CB 3.49Å; P334-R337 PolarHBondContact O-N 3.26Å; L335-R337 PolarHBondContact O-N 3.13Å; R337-C339 PolarHBondContact O-N 3.01Å; R337-L361 HydrophobicContact CG-CD1 3.6Å; R337-A364 PolarHBondContact NE-O 3.38Å; R337-A364 VanDerWaalsContact NH2-C 3.27Å; R337-A364 PolarHBondContact NH2-O 3.46Å |
| 338 | R | 87.9 | Confident | 89.9 | Confident | 96 Ų | 96 | 52 Ų | 52 | 36% | 0.362 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -71.6 | -15.2 | 176.4 | -59.2 | 175.9 | 178.6 | 177.5 | -0.6 | 112.6 | R314 L335 F336 P340 | R314-R338 VanDerWaalsContact CG-O 3.3Å; R314-R338 WeakPolarHBondContact CG-O 2.99Å; R314-R338 PolarHBondContact NE-O 3.3Å; L335-R338 VanDerWaalsContact O-CB 3.23Å; L335-R338 WeakPolarHBondContact O-CB 3.24Å; L335-R338 WeakPolarHBondContact O-CG 3.47Å; L335-R338 PolarHBondContact O-N 3.05Å; F336-R338 PolarHBondContact O-N 3.36Å; R338-P340 VanDerWaalsContact O-CD 3.27Å; R338-P340 WeakPolarHBondContact O-CD 3.47Å |
| 339 | C | 88.6 | Confident | 89.7 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | trans | -98.4 | 98.6 | -178.4 | -62.4 | 0 | 0 | 0 | 0 | 111 | R314 F336 R337 R341 L342 | R314-C339 WeakPolarHBondContact O-CA 3.31Å; F336-C339 PolarHBondContact O-N 3.28Å; F336-C339 VanDerWaalsContact O-N 3.13Å; R337-C339 PolarHBondContact O-N 3.01Å; C339-R341 VanDerWaalsContact C-N 3.29Å; C339-R341 PolarHBondContact O-N 2.9Å; C339-L342 HydrophobicContact CB-CB 3.94Å; C339-L342 PolarHBondContact O-N 3.34Å | ||
| 340 | P | 86.3 | Confident | 89.6 | Confident | 53 Ų | 53 | 54.6 Ų | 54.6 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23.7 | -171.7 | 27.2 | -35.3 | 0 | 0 | 0 | 114 | E315 R338 P367 | E315-P340 WeakPolarHBondContact OE2-CG 3.17Å; R338-P340 VanDerWaalsContact O-CD 3.27Å; R338-P340 WeakPolarHBondContact O-CD 3.47Å; P340-P367 HydrophobicContact CB-CG 4.46Å |
| 341 | R | 89.2 | Confident | 89.4 | Confident | 154 Ų | 154 | 63.1 Ų | 63.1 | 58% | 0.581 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -1.8 | -178.9 | -61.5 | -157.5 | -178.8 | 157.1 | -7.7 | 114.3 | E315 L317 V318 C339 R343 | E315-R341 WeakPolarHBondContact O-CD 3.41Å; E315-R341 PolarHBondContact O-NE 3.47Å; E315-R341 PolarHBondContact O-NH1 3.22Å; L317-R341 CarbonylContact O-C 3.5Å; V318-R341 WeakPolarHBondContact CA-O 3.39Å; V318-R341 HydrophobicContact CG2-CB 4.39Å; C339-R341 VanDerWaalsContact C-N 3.29Å; C339-R341 PolarHBondContact O-N 2.9Å; R341-R343 PolarHBondContact O-N 3.39Å |
| 342 | L | 89.7 | Confident | 89.4 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | trans | -65.8 | 118.7 | -177.3 | -170.8 | 66.4 | 0 | 0 | 0 | 110.1 | L317 L320 F336 C339 L345 F370 | L317-L342 HydrophobicContact CD2-CD1 3.52Å; L317-L342 WeakPolarHBondContact O-CA 3.5Å; L317-L342 PolarHBondContact O-N 3.2Å; L320-L342 HydrophobicContact CB-CD1 4.04Å; F336-L342 HydrophobicContact CB-CD2 4.02Å; F336-L342 HydrophobicContact CD1-CD2 4.34Å; F336-L342 HydrophobicContact CG-CD2 4.49Å; C339-L342 HydrophobicContact CB-CB 3.94Å; C339-L342 PolarHBondContact O-N 3.34Å; L342-L345 HydrophobicContact CD2-CB 4.17Å; L342-L345 HydrophobicContact CD2-CD2 4.25Å; L342-F370 HydrophobicContact CD2-CZ 4.48Å | ||
| 343 | R | 89.7 | Confident | 89.3 | Confident | 111 Ų | 111 | 60.9 Ų | 60.9 | 42% | 0.419 | 27% | 0.27 | S | S | . | . | trans | -112.5 | -29.2 | -179.3 | -69.5 | -179.8 | 176.2 | -160.9 | -17.1 | 113 | V318 R341 L379 K380 S382 | V318-R343 HydrophobicContact CG1-CB 3.86Å; V318-R343 HydrophobicContact CG1-CG 3.91Å; V318-R343 PolarHBondContact O-N 2.99Å; R341-R343 PolarHBondContact O-N 3.39Å; R343-L379 CarbonylContact O-C 3.39Å; R343-L379 WeakPolarHBondContact O-CA 3.35Å; R343-K380 PolarHBondContact O-N 3.21Å; R343-S382 PolarHBondContact NH2-OXT 3.36Å | ||
| 344 | R | 91.6 | Very high | 89.2 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 123.7 | 178.8 | -179.6 | 169.7 | 179.9 | 174.7 | 1.9 | 109.2 | V318 H319 L320 L378 L379 | V318-R344 PolarHBondContact O-N 3Å; H319-R344 CarbonylContact C-O 3.48Å; H319-R344 WeakPolarHBondContact CA-O 3.42Å; H319-R344 HydrophobicContact CB-CB 4.35Å; H319-R344 VanDerWaalsContact ND1-CB 3.26Å; H319-R344 WeakPolarHBondContact ND1-CB 3.45Å; L320-R344 PolarHBondContact N-O 3.38Å; R344-L378 WeakPolarHBondContact CA-O 3.3Å; R344-L379 HydrophobicContact CB-CD2 3.95Å; R344-L379 HydrophobicContact CG-CD2 3.59Å |
| 345 | L | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 113.3 | 173.7 | 172.7 | 60.6 | 0 | 0 | 0 | 108.1 | L320 L322 F336 L342 L347 L361 L378 | L320-L345 HydrophobicContact CB-CD1 3.96Å; L320-L345 HydrophobicContact CD2-CD1 4.1Å; L320-L345 HydrophobicContact CG-CD1 4.14Å; L320-L345 WeakPolarHBondContact O-CA 3.27Å; L322-L345 HydrophobicContact CD1-CD1 4.48Å; F336-L345 HydrophobicContact CB-CD2 3.98Å; F336-L345 HydrophobicContact CD1-CD1 4.21Å; F336-L345 HydrophobicContact CD1-CD2 4.06Å; F336-L345 HydrophobicContact CD2-CD2 3.49Å; F336-L345 VanDerWaalsContact CD2-CD2 3.49Å; F336-L345 HydrophobicContact CE1-CD1 3.98Å; F336-L345 HydrophobicContact CE1-CD2 4.45Å; F336-L345 HydrophobicContact CE2-CD1 4.36Å; F336-L345 HydrophobicContact CE2-CD2 3.94Å; F336-L345 HydrophobicContact CG-CD2 3.56Å; F336-L345 HydrophobicContact CZ-CD1 4.06Å; F336-L345 HydrophobicContact CZ-CD2 4.39Å; L342-L345 HydrophobicContact CD2-CB 4.17Å; L342-L345 HydrophobicContact CD2-CD2 4.25Å; L345-L347 HydrophobicContact CD1-CD1 4.31Å; L345-L347 HydrophobicContact CD1-CD2 4.13Å; L345-L347 HydrophobicContact CD1-CG 4Å; L345-L347 HydrophobicContact CD2-CD1 3.88Å; L345-L347 HydrophobicContact CD2-CG 4.43Å; L345-L347 HydrophobicContact CG-CD1 3.9Å; L345-L347 HydrophobicContact CG-CG 3.93Å; L345-L361 HydrophobicContact CD2-CD2 4.24Å; L345-L378 HydrophobicContact CB-CB 4.22Å; L345-L378 HydrophobicContact CD2-CD1 4.13Å; L345-L378 PolarHBondContact N-O 3.44Å; L345-L378 PolarHBondContact O-N 3.29Å |
| 346 | D | 92.7 | Very high | 88.8 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 113.2 | 179.1 | -168.7 | -10.1 | 0 | 0 | 0 | 109.6 | L320 N321 L322 A323 R348 L377 | L320-D346 PolarHBondContact O-N 3.46Å; N321-D346 HydrophobicContact CB-CB 4.3Å; L322-D346 CarbonylContact C-O 3.59Å; L322-D346 PolarHBondContact N-O 3.38Å; A323-D346 PolarHBondContact N-O 3.35Å; D346-R348 WeakPolarHBondContact OD1-CB 3.47Å; D346-R348 VanDerWaalsContact OD1-CG 3.31Å; D346-R348 WeakPolarHBondContact OD1-CG 3.42Å; D346-R348 IonicContact OD1-CZ 3.25Å; D346-R348 PolarHBondContact OD1-N 3.4Å; D346-R348 VanDerWaalsContact OD1-N 3.16Å; D346-R348 IonicContact OD1-NE 3.02Å; D346-R348 PolarHBondContact OD1-NE 3.33Å; D346-R348 IonicContact OD1-NH2 3.94Å; D346-R348 IonicContact OD2-CZ 3.06Å; D346-R348 IonicContact OD2-NE 3.12Å; D346-R348 PolarHBondContact OD2-NE 3.47Å; D346-R348 IonicContact OD2-NH2 3.96Å; D346-R348 PolarHBondContact OD2-NH2 3.16Å; D346-L377 HydrophobicContact CB-CD1 3.91Å |
| 347 | L | 91.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -121.3 | 21.4 | 179.6 | -63.9 | 166.7 | 0 | 0 | 0 | 111 | L322 L328 L333 F336 L345 C350 L353 K376 | L322-L347 HydrophobicContact CB-CD2 3.88Å; L322-L347 HydrophobicContact CD1-CD2 4.11Å; L328-L347 HydrophobicContact CD1-CD2 4.21Å; L333-L347 HydrophobicContact CD2-CD1 3.56Å; F336-L347 HydrophobicContact CE2-CD1 4.3Å; F336-L347 HydrophobicContact CE2-CD2 4.4Å; F336-L347 HydrophobicContact CZ-CD2 4.4Å; L345-L347 HydrophobicContact CD1-CD1 4.31Å; L345-L347 HydrophobicContact CD1-CD2 4.13Å; L345-L347 HydrophobicContact CD1-CG 4Å; L345-L347 HydrophobicContact CD2-CD1 3.88Å; L345-L347 HydrophobicContact CD2-CG 4.43Å; L345-L347 HydrophobicContact CG-CD1 3.9Å; L345-L347 HydrophobicContact CG-CG 3.93Å; L347-C350 WeakPolarHBondContact O-CB 3.5Å; L347-C350 PolarHBondContact O-N 3.01Å; L347-C350 PolarHBondContact O-SG 3.41Å; L347-L353 HydrophobicContact CB-CD1 3.86Å; L347-L353 HydrophobicContact CD1-CD1 4.07Å; L347-L353 HydrophobicContact CD2-CD1 3.95Å; L347-L353 HydrophobicContact CG-CD1 4.18Å; L347-K376 CarbonylContact C-O 3.59Å; L347-K376 WeakPolarHBondContact CA-O 3.32Å; L347-K376 HydrophobicContact CB-CB 4.12Å; L347-K376 WeakPolarHBondContact CB-O 3.3Å; L347-K376 PolarHBondContact N-O 2.53Å; L347-K376 WeakPolarHBondContact O-CB 3.28Å | ||
| 348 | R | 90.8 | Very high | 88.6 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 31% | 0.306 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 149 | 178.9 | -73.9 | 177.9 | -63 | 168.9 | 9.3 | 110.9 | A323 G324 D346 C350 E374 E375 L377 | A323-R348 CarbonylContact C-O 3.58Å; A323-R348 WeakPolarHBondContact CA-O 3.49Å; A323-R348 HydrophobicContact CB-CB 4.28Å; A323-R348 WeakPolarHBondContact CB-O 3.47Å; G324-R348 PolarHBondContact N-O 3.4Å; D346-R348 WeakPolarHBondContact OD1-CB 3.47Å; D346-R348 VanDerWaalsContact OD1-CG 3.31Å; D346-R348 WeakPolarHBondContact OD1-CG 3.42Å; D346-R348 IonicContact OD1-CZ 3.25Å; D346-R348 PolarHBondContact OD1-N 3.4Å; D346-R348 VanDerWaalsContact OD1-N 3.16Å; D346-R348 IonicContact OD1-NE 3.02Å; D346-R348 PolarHBondContact OD1-NE 3.33Å; D346-R348 IonicContact OD1-NH2 3.94Å; D346-R348 IonicContact OD2-CZ 3.06Å; D346-R348 IonicContact OD2-NE 3.12Å; D346-R348 PolarHBondContact OD2-NE 3.47Å; D346-R348 IonicContact OD2-NH2 3.96Å; D346-R348 PolarHBondContact OD2-NH2 3.16Å; R348-C350 PolarHBondContact O-N 2.89Å; R348-E374 WeakPolarHBondContact CD-OE2 3.1Å; R348-E374 IonicContact CZ-OE2 2.86Å; R348-E374 IonicContact NE-OE2 2.7Å; R348-E374 IonicContact NH1-OE2 2.94Å; R348-E374 PolarHBondContact NH1-OE2 3.11Å; R348-E375 VanDerWaalsContact CG-O 3.23Å; R348-E375 WeakPolarHBondContact CG-O 3.32Å; R348-L377 HydrophobicContact CG-CB 4.44Å |
| 349 | S | 89 | Confident | 88.3 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 64% | 0.643 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 11.2 | 178.6 | -52.3 | 0 | 0 | 0 | 0 | 115.6 | R351 | S349-R351 PolarHBondContact O-N 3.3Š|
| 350 | C | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -78.3 | 104.9 | 167 | -68.3 | 0 | 0 | 0 | 0 | 109.4 | L322 C325 L347 R348 Q352 L353 K376 | L322-C350 PolarHBondContact O-SG 3.1Å; C325-C350 PolarHBondContact O-SG 3.42Å; L347-C350 WeakPolarHBondContact O-CB 3.5Å; L347-C350 PolarHBondContact O-N 3.01Å; L347-C350 PolarHBondContact O-SG 3.41Å; R348-C350 PolarHBondContact O-N 2.89Å; C350-Q352 PolarHBondContact O-N 2.57Å; C350-L353 HydrophobicContact CB-CB 4.17Å; C350-L353 HydrophobicContact CB-CD1 3.54Å; C350-L353 HydrophobicContact CB-CG 3.87Å; C350-L353 PolarHBondContact O-N 3.34Å; C350-K376 PolarHBondContact O-NZ 2.89Å | ||
| 351 | R | 87.5 | Confident | 87.9 | Confident | 231 Ų | 231 | 64.6 Ų | 64.6 | 87% | 0.872 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -29.1 | -173 | -64.6 | -177.2 | -179.8 | 168.8 | -0.4 | 114 | S349 L353 | S349-R351 PolarHBondContact O-N 3.3Å; R351-L353 VanDerWaalsContact C-N 3.32Å |
| 352 | Q | 89.9 | Confident | 87.4 | Confident | 108 Ų | 108 | 57.7 Ų | 57.7 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -3.1 | -179.1 | -71.1 | -175.9 | -14 | 0 | 0 | 113.5 | H326 L328 C350 | H326-Q352 PolarHBondContact O-OE1 2.87Å; L328-Q352 WeakPolarHBondContact O-CB 3.42Å; C350-Q352 PolarHBondContact O-N 2.57Å |
| 353 | L | 89.6 | Confident | 86.6 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -92.6 | 128 | 175.7 | -68.9 | 178.9 | 0 | 0 | 0 | 110.9 | T329 D330 L333 L347 C350 R351 K376 | T329-L353 VanDerWaalsContact O-CD2 3.27Å; T329-L353 WeakPolarHBondContact O-CD2 3.44Å; D330-L353 WeakPolarHBondContact OD1-CA 3.12Å; D330-L353 WeakPolarHBondContact OD1-CD2 3.42Å; L333-L353 HydrophobicContact CD1-CD2 4.25Å; L333-L353 HydrophobicContact CD2-CD2 4.28Å; L333-L353 HydrophobicContact CG-CD2 4.17Å; L347-L353 HydrophobicContact CB-CD1 3.86Å; L347-L353 HydrophobicContact CD1-CD1 4.07Å; L347-L353 HydrophobicContact CD2-CD1 3.95Å; L347-L353 HydrophobicContact CG-CD1 4.18Å; C350-L353 HydrophobicContact CB-CB 4.17Å; C350-L353 HydrophobicContact CB-CD1 3.54Å; C350-L353 HydrophobicContact CB-CG 3.87Å; C350-L353 PolarHBondContact O-N 3.34Å; R351-L353 VanDerWaalsContact C-N 3.32Å; L353-K376 HydrophobicContact CB-CD 4.49Å; L353-K376 WeakPolarHBondContact O-CE 3.44Å; L353-K376 PolarHBondContact O-NZ 3.07Å |
| 354 | S | 87.8 | Confident | 85.6 | Confident | 33 Ų | 33 | 58 Ų | 58 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | trans | -79 | 135.5 | 173.6 | 68.7 | 0 | 0 | 0 | 0 | 110.6 | D330 E356 A357 C358 | D330-S354 PolarHBondContact OD1-N 2.57Å; D330-S354 WeakPolarHBondContact OD2-CB 3.29Å; D330-S354 PolarHBondContact OD2-OG 3.23Å; S354-E356 PolarHBondContact O-N 2.9Å; S354-A357 PolarHBondContact O-N 2.98Å; S354-A357 VanDerWaalsContact O-N 3.16Å; S354-A357 WeakPolarHBondContact OG-CB 3.38Å; S354-A357 PolarHBondContact OG-N 3.27Å; S354-C358 PolarHBondContact O-N 3.4Å | ||
| 355 | P | 83.9 | Confident | 83.6 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.9 | -34.6 | 175.2 | -24.5 | 33.8 | 0 | 0 | 0 | 112.3 | C358 A359 | P355-C358 PolarHBondContact O-N 3.3Å; P355-A359 WeakPolarHBondContact O-CB 3.38Å; P355-A359 PolarHBondContact O-N 3.16Å |
| 356 | E | 84.6 | Confident | 81.6 | Confident | 135 Ų | 135 | 58.8 Ų | 58.8 | 63% | 0.631 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 177 | -62.7 | 173.1 | -170.1 | 0 | 0 | 112.5 | S354 C358 A359 R360 | S354-E356 PolarHBondContact O-N 2.9Å; E356-C358 VanDerWaalsContact C-N 3.33Å; E356-A359 PolarHBondContact O-N 3.18Å; E356-R360 WeakPolarHBondContact O-CG 2.98Å; E356-R360 PolarHBondContact O-N 3.42Å; E356-R360 IonicContact OE2-NH1 3.22Å |
| 357 | A | 84.7 | Confident | 79.6 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D330 L333 S354 R360 L361 | D330-A357 HydrophobicContact CB-CB 3.98Å; D330-A357 VanDerWaalsContact CG-CB 3.42Å; D330-A357 WeakPolarHBondContact OD2-CB 3.3Å; L333-A357 HydrophobicContact CD1-CB 3.39Å; S354-A357 PolarHBondContact O-N 2.98Å; S354-A357 VanDerWaalsContact O-N 3.16Å; S354-A357 WeakPolarHBondContact OG-CB 3.38Å; S354-A357 PolarHBondContact OG-N 3.27Å; A357-R360 PolarHBondContact O-N 3.34Å; A357-L361 PolarHBondContact O-N 3.05Å |
| 358 | C | 83.6 | Confident | 78.1 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.014 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 172 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | S354 P355 E356 L361 A362 K376 | S354-C358 PolarHBondContact O-N 3.4Å; P355-C358 PolarHBondContact O-N 3.3Å; E356-C358 VanDerWaalsContact C-N 3.33Å; C358-L361 PolarHBondContact O-N 3.39Å; C358-A362 WeakPolarHBondContact O-CB 3.21Å; C358-A362 PolarHBondContact O-N 3.19Å; C358-K376 HydrophobicContact CB-CG 4.45Å |
| 359 | A | 81.8 | Confident | 77 | Confident | 53 Ų | 53 | 64 Ų | 64 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | P355 E356 A362 A363 | P355-A359 WeakPolarHBondContact O-CB 3.38Å; P355-A359 PolarHBondContact O-N 3.16Å; E356-A359 PolarHBondContact O-N 3.18Å; A359-A362 WeakPolarHBondContact O-CB 3.27Å; A359-A362 PolarHBondContact O-N 3.4Å; A359-A363 WeakPolarHBondContact O-CB 3.29Å; A359-A363 PolarHBondContact O-N 3.36Å |
| 360 | R | 82.8 | Confident | 76.3 | Confident | 141 Ų | 141 | 61 Ų | 61 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 172.7 | -73.6 | -171.2 | -61.1 | -93.1 | 4.5 | 111.8 | E356 A357 A362 A363 A364 | E356-R360 WeakPolarHBondContact O-CG 2.98Å; E356-R360 PolarHBondContact O-N 3.42Å; E356-R360 IonicContact OE2-NH1 3.22Å; A357-R360 PolarHBondContact O-N 3.34Å; R360-A362 VanDerWaalsContact C-N 3.31Å; R360-A362 PolarHBondContact O-N 2.73Å; R360-A363 PolarHBondContact O-N 2.9Å; R360-A364 WeakPolarHBondContact O-CB 3.42Å; R360-A364 PolarHBondContact O-N 3.23Å |
| 361 | L | 82.5 | Confident | 75.5 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | 174 | 179.4 | 63.5 | 0 | 0 | 0 | 111.4 | L333 F336 R337 L345 A357 C358 L378 | L333-L361 HydrophobicContact CB-CD2 4.05Å; L333-L361 HydrophobicContact CD2-CD2 3.87Å; L333-L361 WeakPolarHBondContact O-CD1 3.27Å; F336-L361 HydrophobicContact CD2-CD2 4.21Å; R337-L361 HydrophobicContact CG-CD1 3.6Å; L345-L361 HydrophobicContact CD2-CD2 4.24Å; A357-L361 PolarHBondContact O-N 3.05Å; C358-L361 PolarHBondContact O-N 3.39Å; L361-L378 HydrophobicContact CB-CD1 4.5Å; L361-L378 HydrophobicContact CD2-CD1 3.59Å; L361-L378 HydrophobicContact CG-CD1 4.09Å |
| 362 | A | 79.1 | Confident | 74.9 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C358 A359 R360 F370 L378 | C358-A362 WeakPolarHBondContact O-CB 3.21Å; C358-A362 PolarHBondContact O-N 3.19Å; A359-A362 WeakPolarHBondContact O-CB 3.27Å; A359-A362 PolarHBondContact O-N 3.4Å; R360-A362 VanDerWaalsContact C-N 3.31Å; R360-A362 PolarHBondContact O-N 2.73Å; A362-F370 HydrophobicContact CB-CB 4.25Å; A362-F370 PolarHBondContact O-N 2.54Å; A362-F370 VanDerWaalsContact O-N 3.15Å; A362-L378 HydrophobicContact CB-CD2 3.72Å |
| 363 | A | 73.9 | Confident | 73.8 | Confident | 81 Ų | 81 | 59.4 Ų | 59.4 | 67% | 0.669 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -74.3 | -33.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | A359 R360 G365 | A359-A363 WeakPolarHBondContact O-CB 3.29Å; A359-A363 PolarHBondContact O-N 3.36Å; R360-A363 PolarHBondContact O-N 2.9Å; A363-G365 PolarHBondContact O-N 3.36Å; A363-G365 VanDerWaalsContact O-N 3.08Å |
| 364 | A | 66.9 | Low | 73 | Confident | 40 Ų | 40 | 63.9 Ų | 63.9 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -82.2 | 80.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R337 R360 | R337-A364 PolarHBondContact NE-O 3.38Å; R337-A364 VanDerWaalsContact NH2-C 3.27Å; R337-A364 PolarHBondContact NH2-O 3.46Å; R360-A364 WeakPolarHBondContact O-CB 3.42Å; R360-A364 PolarHBondContact O-N 3.23Å |
| 365 | G | 49.7 | Very low | 72.4 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 37% | 0.371 | 40% | 0.396 | S | S | . | . | trans | -99.3 | 118 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A363 | A363-G365 PolarHBondContact O-N 3.36Å; A363-G365 VanDerWaalsContact O-N 3.08Å | ||
| 366 | P | 50.7 | Low | 72.2 | Confident | 95 Ų | 95 | 65.8 Ų | 65.8 | 62% | 0.617 | 38% | 0.378 | S | S | * | . | S | Bend | -120 | 153.6 | 93.3 | -4.9 | 24.8 | 0 | 0 | 0 | 113.6 | |||
| 367 | P | 50.2 | Low | 72.2 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | S | Bend | cis | -90.9 | 22.7 | 10.5 | 34.6 | -30.8 | 0 | 0 | 0 | 114.5 | P340 K380 | P340-P367 HydrophobicContact CB-CG 4.46Å; P367-K380 VanDerWaalsContact C-NZ 3.28Å; P367-K380 PolarHBondContact O-NZ 3.12Å |
| 368 | G | 59.8 | Low | 72.1 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 18% | 0.175 | 35% | 0.348 | C | S | . | . | trans | 161.5 | 154.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 369 | P | 67.5 | Low | 72.2 | Confident | 94 Ų | 94 | 62 Ų | 62 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -69 | 142.9 | -178.8 | 28.5 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 370 | F | 74.6 | Confident | 72.1 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 13% | 0.132 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 137.2 | 166.5 | -65.5 | -87.6 | 0 | 0 | 0 | 108.9 | L342 A362 L378 L379 K380 | L342-F370 HydrophobicContact CD2-CZ 4.48Å; A362-F370 HydrophobicContact CB-CB 4.25Å; A362-F370 PolarHBondContact O-N 2.54Å; A362-F370 VanDerWaalsContact O-N 3.15Å; F370-L378 HydrophobicContact CB-CB 3.96Å; F370-L378 HydrophobicContact CB-CD2 4.18Å; F370-L378 HydrophobicContact CD1-CB 3.98Å; F370-L378 HydrophobicContact CG-CB 4.03Å; F370-L379 CarbonylContact C-O 3.59Å; F370-L379 WeakPolarHBondContact CA-O 3.32Å; F370-K380 HydrophobicContact CD1-CB 4.09Å; F370-K380 HydrophobicContact CE1-CB 4.18Å |
| 371 | R | 75 | Confident | 71.3 | Confident | 159 Ų | 159 | 59.7 Ų | 59.7 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 143.4 | 160.9 | -63 | -166.5 | -174.1 | -161.2 | 9.3 | 109.5 | P373 L379 D381 | R371-P373 VanDerWaalsContact C-CD 3.5Å; R371-P373 VanDerWaalsContact O-CD 3.25Å; R371-P373 WeakPolarHBondContact O-CD 3.33Å; R371-L379 PolarHBondContact N-O 3.06Å; R371-L379 PolarHBondContact O-N 3.35Å; R371-D381 IonicContact CZ-OD1 2.72Å; R371-D381 IonicContact CZ-OD2 3.13Å; R371-D381 IonicContact NE-OD1 3.91Å; R371-D381 IonicContact NE-OD2 3.87Å; R371-D381 PolarHBondContact NE-OD2 3.28Å; R371-D381 IonicContact NH2-OD2 3.7Å; R371-D381 PolarHBondContact NH2-OD2 3.08Å |
| 372 | C | 75.2 | Confident | 70.1 | Confident | 64 Ų | 64 | 66.3 Ų | 66.3 | 43% | 0.432 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 81.5 | 176.5 | -163.3 | 0 | 0 | 0 | 0 | 109.1 | E374 L377 L378 | C372-E374 VanDerWaalsContact C-N 3.34Å; C372-E374 PolarHBondContact SG-O 3.19Å; C372-L377 WeakPolarHBondContact CA-O 3.19Å; C372-L378 HydrophobicContact CB-CD2 4.23Å |
| 373 | P | 66.4 | Low | 69.6 | Low | 82 Ų | 82 | 69.2 Ų | 69.2 | 53% | 0.532 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | -27.8 | -178.9 | 28.4 | -37.3 | 0 | 0 | 0 | 113.6 | R371 L377 L379 | R371-P373 VanDerWaalsContact C-CD 3.5Å; R371-P373 VanDerWaalsContact O-CD 3.25Å; R371-P373 WeakPolarHBondContact O-CD 3.33Å; P373-L377 WeakPolarHBondContact CD-O 3.35Å; P373-L377 HydrophobicContact CG-CD2 4.07Å; P373-L377 HydrophobicContact CG-CG 4.3Å; P373-L379 HydrophobicContact CG-CD1 3.72Å; P373-L379 HydrophobicContact CG-CG 4.05Å |
| 374 | E | 73.3 | Confident | 69.4 | Low | 98 Ų | 98 | 68.5 Ų | 68.5 | 46% | 0.458 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 159.8 | 176.6 | -65.4 | 178 | -167.2 | 0 | 0 | 108.7 | R348 C372 K376 L377 | R348-E374 WeakPolarHBondContact CD-OE2 3.1Å; R348-E374 IonicContact CZ-OE2 2.86Å; R348-E374 IonicContact NE-OE2 2.7Å; R348-E374 IonicContact NH1-OE2 2.94Å; R348-E374 PolarHBondContact NH1-OE2 3.11Å; C372-E374 VanDerWaalsContact C-N 3.34Å; C372-E374 PolarHBondContact SG-O 3.19Å; E374-K376 PolarHBondContact O-N 3.11Å; E374-K376 VanDerWaalsContact O-N 3.11Å; E374-L377 HydrophobicContact CB-CB 4.04Å; E374-L377 HydrophobicContact CB-CD2 4.3Å; E374-L377 HydrophobicContact CG-CD2 4.43Å; E374-L377 PolarHBondContact O-N 3Å; E374-L377 VanDerWaalsContact O-N 3.07Å |
| 375 | E | 74.9 | Confident | 69.5 | Low | 127 Ų | 127 | 70.1 Ų | 70.1 | 59% | 0.593 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 120.6 | 179.4 | -157.7 | -157.8 | 143.4 | 0 | 0 | 110.8 | R348 L377 | R348-E375 VanDerWaalsContact CG-O 3.23Å; R348-E375 WeakPolarHBondContact CG-O 3.32Å; E375-L377 PolarHBondContact O-N 3.3Å; E375-L377 VanDerWaalsContact O-N 3.16Å |
| 376 | K | 79.1 | Confident | 70.7 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 17.6 | 178.3 | -54.3 | 168.5 | 179.5 | 174 | 0 | 115.1 | L347 C350 L353 C358 E374 | L347-K376 CarbonylContact C-O 3.59Å; L347-K376 WeakPolarHBondContact CA-O 3.32Å; L347-K376 HydrophobicContact CB-CB 4.12Å; L347-K376 WeakPolarHBondContact CB-O 3.3Å; L347-K376 PolarHBondContact N-O 2.53Å; L347-K376 WeakPolarHBondContact O-CB 3.28Å; C350-K376 PolarHBondContact O-NZ 2.89Å; L353-K376 HydrophobicContact CB-CD 4.49Å; L353-K376 WeakPolarHBondContact O-CE 3.44Å; L353-K376 PolarHBondContact O-NZ 3.07Å; C358-K376 HydrophobicContact CB-CG 4.45Å; E374-K376 PolarHBondContact O-N 3.11Å; E374-K376 VanDerWaalsContact O-N 3.11Å |
| 377 | L | 84.9 | Confident | 71.9 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 5% | 0.052 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 116.8 | 166.5 | 177.7 | 61.2 | 0 | 0 | 0 | 109.1 | D346 R348 C372 P373 E374 E375 L379 | D346-L377 HydrophobicContact CB-CD1 3.91Å; R348-L377 HydrophobicContact CG-CB 4.44Å; C372-L377 WeakPolarHBondContact CA-O 3.19Å; P373-L377 WeakPolarHBondContact CD-O 3.35Å; P373-L377 HydrophobicContact CG-CD2 4.07Å; P373-L377 HydrophobicContact CG-CG 4.3Å; E374-L377 HydrophobicContact CB-CB 4.04Å; E374-L377 HydrophobicContact CB-CD2 4.3Å; E374-L377 HydrophobicContact CG-CD2 4.43Å; E374-L377 PolarHBondContact O-N 3Å; E374-L377 VanDerWaalsContact O-N 3.07Å; E375-L377 PolarHBondContact O-N 3.3Å; E375-L377 VanDerWaalsContact O-N 3.16Å; L377-L379 HydrophobicContact CD1-CD2 4.16Å; L377-L379 HydrophobicContact CG-CD2 4.33Å; L377-L379 HydrophobicContact CG-CG 4.31Å |
| 378 | L | 83 | Confident | 73.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.9 | -177.5 | -61.4 | 177.9 | 0 | 0 | 0 | 110.2 | R344 L345 L361 A362 F370 C372 | R344-L378 WeakPolarHBondContact CA-O 3.3Å; L345-L378 HydrophobicContact CB-CB 4.22Å; L345-L378 HydrophobicContact CD2-CD1 4.13Å; L345-L378 PolarHBondContact N-O 3.44Å; L345-L378 PolarHBondContact O-N 3.29Å; L361-L378 HydrophobicContact CB-CD1 4.5Å; L361-L378 HydrophobicContact CD2-CD1 3.59Å; L361-L378 HydrophobicContact CG-CD1 4.09Å; A362-L378 HydrophobicContact CB-CD2 3.72Å; F370-L378 HydrophobicContact CB-CB 3.96Å; F370-L378 HydrophobicContact CB-CD2 4.18Å; F370-L378 HydrophobicContact CD1-CB 3.98Å; F370-L378 HydrophobicContact CG-CB 4.03Å; C372-L378 HydrophobicContact CB-CD2 4.23Å |
| 379 | L | 84.1 | Confident | 74.3 | Confident | 56 Ų | 56 | 73.8 Ų | 73.8 | 29% | 0.293 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.7 | 179.9 | -59.8 | -173.7 | 0 | 0 | 0 | 111 | R343 R344 F370 R371 P373 L377 | R343-L379 CarbonylContact O-C 3.39Å; R343-L379 WeakPolarHBondContact O-CA 3.35Å; R344-L379 HydrophobicContact CB-CD2 3.95Å; R344-L379 HydrophobicContact CG-CD2 3.59Å; F370-L379 CarbonylContact C-O 3.59Å; F370-L379 WeakPolarHBondContact CA-O 3.32Å; R371-L379 PolarHBondContact N-O 3.06Å; R371-L379 PolarHBondContact O-N 3.35Å; P373-L379 HydrophobicContact CG-CD1 3.72Å; P373-L379 HydrophobicContact CG-CG 4.05Å; L377-L379 HydrophobicContact CD1-CD2 4.16Å; L377-L379 HydrophobicContact CG-CD2 4.33Å; L377-L379 HydrophobicContact CG-CG 4.31Å |
| 380 | K | 80.9 | Confident | 74.9 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 24% | 0.239 | 38% | 0.38 | C | S | . | . | trans | -105.7 | 132.4 | 170.2 | -164.8 | 179.7 | 179.2 | -179.1 | 0 | 109 | R343 P367 F370 | R343-K380 PolarHBondContact O-N 3.21Å; P367-K380 VanDerWaalsContact C-NZ 3.28Å; P367-K380 PolarHBondContact O-NZ 3.12Å; F370-K380 HydrophobicContact CD1-CB 4.09Å; F370-K380 HydrophobicContact CE1-CB 4.18Å | ||
| 381 | D | 65.9 | Low | 74.9 | Confident | 89 Ų | 89 | 75.8 Ų | 75.8 | 48% | 0.476 | 40% | 0.401 | S | S | . | . | trans | -66.4 | 155.4 | 173.6 | -60.3 | -38.5 | 0 | 0 | 0 | 111 | R371 | R371-D381 IonicContact CZ-OD1 2.72Å; R371-D381 IonicContact CZ-OD2 3.13Å; R371-D381 IonicContact NE-OD1 3.91Å; R371-D381 IonicContact NE-OD2 3.87Å; R371-D381 PolarHBondContact NE-OD2 3.28Å; R371-D381 IonicContact NH2-OD2 3.7Å; R371-D381 PolarHBondContact NH2-OD2 3.08Å | ||
| 382 | S | 56.1 | Low | 74.9 | Confident | 150 Ų | 150 | 68.2 Ų | 68.2 | 100% | 1.049 | 38% | 0.383 | S | S | * | . | trans | -66.4 | 0 | -162.2 | -60.2 | 0 | 0 | 0 | 0 | 115.4 | R343 | R343-S382 PolarHBondContact NH2-OXT 3.36Š|
Retrieved 382 of 382 residues in 96.3 ms
(Link to these results)