| 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 | 50.2 | Low | 56.5 | Low | 240 Ų | 240 | 141.5 Ų | 141.5 | 100% | 1.182 | 83% | 0.828 | S | S | * | * | 0 | 133.2 | 0 | -66.4 | -68.8 | -179.6 | 0 | 0 | 107.1 | |||||
| 2 | P | 60.4 | Low | 56.9 | Low | 107 Ų | 107 | 139.2 Ų | 139.2 | 70% | 0.695 | 82% | 0.824 | S | S | * | * | cis | -124.6 | -174.2 | -42.2 | 37.4 | -20.6 | 0 | 0 | 0 | 112 | ||||
| 3 | D | 61.5 | Low | 56.5 | Low | 143 Ų | 143 | 147.4 Ų | 147.4 | 77% | 0.765 | 83% | 0.832 | S | S | * | * | trans | 65 | 118.5 | 153.8 | -58.6 | -40 | 0 | 0 | 0 | 120.3 | ||||
| 4 | R | 57.2 | Low | 56.1 | Low | 227 Ų | 227 | 150.7 Ų | 150.7 | 86% | 0.857 | 84% | 0.838 | S | S | * | * | 78.4 | 127.9 | 51.2 | -171.1 | 171.5 | 174.5 | 148.9 | 0.9 | 114.5 | |||||
| 5 | A | 60.1 | Low | 56 | Low | 70 Ų | 70 | 146.5 Ų | 146.5 | 58% | 0.579 | 83% | 0.83 | S | S | * | * | trans | 75.9 | 109.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 6 | E | 50 | Low | 55.8 | Low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | 100.3 | 115.5 | 86.9 | -90.8 | -176.5 | 86 | 0 | 0 | 110.8 | |||||
| 7 | S | 67.7 | Low | 55.7 | Low | 127 Ų | 127 | 143.5 Ų | 143.5 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -155.4 | 102.6 | 160.2 | -52.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 8 | S | 51.8 | Low | 55.4 | Low | 118 Ų | 118 | 141.9 Ų | 141.9 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -80.5 | 154.9 | 155.1 | -60.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 9 | P | 63.8 | Low | 55.8 | Low | 132 Ų | 132 | 140.5 Ų | 140.5 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | -152.3 | 167.1 | 91.5 | 35.3 | -14.9 | 0 | 0 | 0 | 115.7 | |||||
| 10 | A | 50.9 | Low | 55.8 | Low | 91 Ų | 91 | 139.8 Ų | 139.8 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | -94.3 | 157.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 11 | S | 48.3 | Very low | 55.5 | Low | 126 Ų | 126 | 141.5 Ų | 141.5 | 88% | 0.881 | 83% | 0.83 | S | S | * | * | trans | 70 | 105.9 | 144.9 | -68.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 12 | S | 60.8 | Low | 55.5 | Low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -154.6 | 105.2 | 147 | 47.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 13 | R | 52.5 | Low | 55.2 | Low | 246 Ų | 246 | 135.2 Ų | 135.2 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | 60.8 | 108 | 98.8 | -74.4 | -175.5 | 157.4 | -161.6 | -5 | 114.7 | |||||
| 14 | E | 50.9 | Low | 54.8 | Low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | trans | -176 | 109.6 | 144.4 | -100.7 | -179.9 | 148.8 | 0 | 0 | 106.7 | ||||
| 15 | A | 54 | Low | 54.3 | Low | 88 Ų | 88 | 133.2 Ų | 133.2 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | 73.1 | 104 | 80.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 16 | S | 53.3 | Low | 53.3 | Low | 124 Ų | 124 | 136.9 Ų | 136.9 | 87% | 0.867 | 84% | 0.838 | S | S | * | * | trans | 70.3 | 108.2 | 144.8 | -52.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 17 | S | 53.1 | Low | 53.2 | Low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | 145.1 | 110.9 | 125.3 | -146.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 18 | S | 51.3 | Low | 52.4 | Low | 114 Ų | 114 | 131.5 Ų | 131.5 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | trans | 20.1 | 135.2 | 160.3 | -45.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 19 | P | 61.6 | Low | 52.3 | Low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 84% | 0.837 | S | S | * | * | -149.1 | 174.8 | 82 | 34.7 | -13.1 | 0 | 0 | 0 | 114.6 | |||||
| 20 | P | 56.2 | Low | 51.7 | Low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 155.9 | -163.6 | 33.2 | -33.7 | 0 | 0 | 0 | 114.3 | ||
| 21 | L | 50.9 | Low | 51.5 | Low | 176 Ų | 176 | 143.5 Ų | 143.5 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 126.5 | -170.7 | -56 | 168.8 | 0 | 0 | 0 | 112.1 | ||
| 22 | S | 49.2 | Very low | 51.3 | Low | 127 Ų | 127 | 142 Ų | 142 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 122.3 | 164.5 | -65.1 | 0 | 0 | 0 | 0 | 111 | ||
| 23 | A | 53.5 | Low | 50.5 | Low | 88 Ų | 88 | 142.6 Ų | 142.6 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | trans | -166.9 | 99.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 24 | T | 54.6 | Low | 49.9 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | S | Bend | trans | 160.6 | 118.6 | 143.1 | 37.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 25 | E | 46.5 | Very low | 49.2 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | 44.7 | 90.8 | 161.6 | -82.2 | 171.6 | 83.6 | 0 | 0 | 119.9 | A27 | E25-A27 PolarHBondContact O-N 3.24Å; E25-A27 VanDerWaalsContact O-N 3.09Å | ||
| 26 | T | 39.2 | Very low | 48.4 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -62.4 | 89.5 | 159.2 | 47.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 27 | A | 48 | Very low | 48 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -161.9 | 33 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E25 | E25-A27 PolarHBondContact O-N 3.24Å; E25-A27 VanDerWaalsContact O-N 3.09Å | ||
| 28 | A | 50.6 | Low | 47.4 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -141.2 | 128.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 29 | R | 48.5 | Very low | 47.4 | Very low | 248 Ų | 248 | 137.4 Ų | 137.4 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | trans | 92.6 | 71.3 | -177.4 | -53.2 | 167 | 179.9 | -85.9 | -2.8 | 115.1 | ||||
| 30 | R | 50.9 | Low | 46.7 | Very low | 241 Ų | 241 | 141 Ų | 141 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -97.8 | 115 | 146.7 | -82.3 | -178.3 | 156.7 | -165.3 | -5.7 | 108.7 | ||||
| 31 | S | 46.9 | Very low | 46.2 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 57 | 82.8 | 150.8 | 56.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 32 | A | 45.3 | Very low | 46.1 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | S | Bend | -66.5 | 145.7 | 126.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||
| 33 | S | 43.8 | Very low | 45.9 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | 80.5 | 96.8 | 179 | 77.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 34 | G | 39.4 | Very low | 45.3 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -174.3 | 84.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 35 | C | 37 | Very low | 45.2 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | 63.4 | 99.2 | 164.3 | -160.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 36 | G | 36.4 | Very low | 45.8 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | cis | 70.9 | 30.2 | 46.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R38 | G36-R38 PolarHBondContact O-N 2.99Š| ||
| 37 | K | 44.8 | Very low | 47 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | trans | -89.3 | 101.6 | 162.4 | -70.4 | -173 | -175.2 | -177.6 | 0 | 108.6 | A39 | K37-A39 PolarHBondContact O-N 2.83Š| ||
| 38 | R | 41.1 | Very low | 48.1 | Very low | 247 Ų | 247 | 133 Ų | 133 | 93% | 0.932 | 73% | 0.73 | S | S | * | * | trans | -50.1 | 73.6 | 153.9 | -65.1 | 172.6 | 168.2 | 177.5 | -5.1 | 109.4 | G36 R40 | G36-R38 PolarHBondContact O-N 2.99Å; R38-R40 PolarHBondContact O-N 2.84Å | ||
| 39 | A | 50.6 | Low | 49.7 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -84.3 | 71.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | K37 | K37-A39 PolarHBondContact O-N 2.83Š| ||
| 40 | R | 47.5 | Very low | 51.7 | Low | 190 Ų | 190 | 124.9 Ų | 124.9 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | trans | 50.6 | 69.5 | 162.9 | -47.2 | -68.1 | -177.5 | 151.3 | 3 | 113.4 | R38 R42 | R38-R40 PolarHBondContact O-N 2.84Å; R40-R42 HydrophobicContact CB-CG 4.46Å; R40-R42 PolarHBondContact O-N 3.06Å | ||
| 41 | A | 45.2 | Very low | 53.7 | Low | 82 Ų | 82 | 119.9 Ų | 119.9 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | trans | -60.2 | 63.7 | 136 | 0 | 0 | 0 | 0 | 0 | 108.2 | D43 | A41-D43 WeakPolarHBondContact CB-OD2 3.4Å; A41-D43 PolarHBondContact O-N 2.98Å | ||
| 42 | R | 49 | Very low | 55.8 | Low | 165 Ų | 165 | 116.5 Ų | 116.5 | 62% | 0.623 | 66% | 0.661 | S | S | * | * | trans | -75.5 | 72 | 156 | -88.8 | -162.5 | -176.4 | -174.4 | 3.8 | 102.9 | R40 K46 | R40-R42 HydrophobicContact CB-CG 4.46Å; R40-R42 PolarHBondContact O-N 3.06Å; R42-K46 HydrophobicContact CB-CD 3.96Å; R42-K46 WeakPolarHBondContact O-CD 3.26Å; R42-K46 VanDerWaalsContact O-CE 3.26Å; R42-K46 WeakPolarHBondContact O-CE 2.77Å; R42-K46 PolarHBondContact O-NZ 3.21Å | ||
| 43 | D | 44.4 | Very low | 58.1 | Low | 139 Ų | 139 | 112.6 Ų | 112.6 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | trans | -51.1 | 146.7 | 164.5 | -61.9 | -65.3 | 0 | 0 | 0 | 108.8 | A41 K46 | A41-D43 WeakPolarHBondContact CB-OD2 3.4Å; A41-D43 PolarHBondContact O-N 2.98Å; D43-K46 PolarHBondContact O-NZ 2.96Å | ||
| 44 | G | 41 | Very low | 60.4 | Low | 45 Ų | 45 | 110.9 Ų | 110.9 | 46% | 0.464 | 60% | 0.602 | S | S | . | * | S | Bend | trans | 113.9 | 76.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K46 | G44-K46 VanDerWaalsContact O-CD 3.24Å; G44-K46 WeakPolarHBondContact O-CD 3.21Å; G44-K46 WeakPolarHBondContact O-CE 3.24Å; G44-K46 PolarHBondContact O-N 2.74Å; G44-K46 PolarHBondContact O-NZ 3.19Å |
| 45 | E | 52.6 | Low | 62.9 | Low | 196 Ų | 196 | 111.9 Ų | 111.9 | 92% | 0.916 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 74.6 | 9.6 | 153.5 | -47.8 | 178.6 | -170.1 | 0 | 0 | 117.4 | ||
| 46 | K | 59.3 | Low | 65.6 | Low | 124 Ų | 124 | 113.7 Ų | 113.7 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | trans | -85.3 | 125.4 | -172.6 | -70.2 | 119.4 | -171.6 | 142.4 | 0 | 113.2 | R42 D43 G44 | R42-K46 HydrophobicContact CB-CD 3.96Å; R42-K46 WeakPolarHBondContact O-CD 3.26Å; R42-K46 VanDerWaalsContact O-CE 3.26Å; R42-K46 WeakPolarHBondContact O-CE 2.77Å; R42-K46 PolarHBondContact O-NZ 3.21Å; D43-K46 PolarHBondContact O-NZ 2.96Å; G44-K46 VanDerWaalsContact O-CD 3.24Å; G44-K46 WeakPolarHBondContact O-CD 3.21Å; G44-K46 WeakPolarHBondContact O-CE 3.24Å; G44-K46 PolarHBondContact O-N 2.74Å; G44-K46 PolarHBondContact O-NZ 3.19Å | ||
| 47 | H | 64.3 | Low | 68.2 | Low | 103 Ų | 103 | 115.4 Ų | 115.4 | 48% | 0.477 | 59% | 0.586 | S | S | . | * | trans | -35 | 153.6 | 167.1 | -56.8 | -79.6 | 0 | 0 | 0 | 115.1 | S49 M55 W61 | H47-S49 PolarHBondContact O-N 2.86Å; H47-M55 VanDerWaalsContact CD2-CE 3.41Å; H47-M55 WeakPolarHBondContact CD2-CE 3.36Å; H47-W61 HydrophobicContact CB-CH2 3.62Å; H47-W61 HydrophobicContact CB-CZ2 4.23Å; H47-W61 AromaticContact CG-CH2 3.91Å | ||
| 48 | P | 71.9 | Confident | 70.3 | Confident | 72 Ų | 72 | 116.5 Ų | 116.5 | 47% | 0.468 | 59% | 0.585 | S | S | . | * | trans | -55.1 | 111.5 | 175 | 23.6 | -33.7 | 0 | 0 | 0 | 110.4 | Y50 | P48-Y50 HydrophobicContact CB-CE2 3.89Å; P48-Y50 HydrophobicContact CG-CE2 3.9Å; P48-Y50 WeakPolarHBondContact O-CD2 3.41Å; P48-Y50 PolarHBondContact O-N 3.44Å | ||
| 49 | S | 84.4 | Confident | 72.7 | Confident | 113 Ų | 113 | 107 Ų | 107 | 79% | 0.79 | 56% | 0.563 | S | S | * | * | trans | -84.4 | 92.6 | -178.3 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | H47 | H47-S49 PolarHBondContact O-N 2.86Š| ||
| 50 | Y | 90.9 | Very high | 74.7 | Confident | 53 Ų | 53 | 107.1 Ų | 107.1 | 21% | 0.208 | 55% | 0.548 | C | S | . | . | trans | -72.2 | 154.9 | 173 | -61.7 | -82.5 | 0 | 0 | 0 | 112.6 | P48 G52 V53 P82 E83 A86 N104 F105 | P48-Y50 HydrophobicContact CB-CE2 3.89Å; P48-Y50 HydrophobicContact CG-CE2 3.9Å; P48-Y50 WeakPolarHBondContact O-CD2 3.41Å; P48-Y50 PolarHBondContact O-N 3.44Å; Y50-G52 PolarHBondContact O-N 2.84Å; Y50-V53 PolarHBondContact O-N 3.46Å; Y50-P82 HydrophobicContact CD2-CB 3.81Å; Y50-P82 HydrophobicContact CE2-CB 3.85Å; Y50-P82 HydrophobicContact CE2-CG 4.26Å; Y50-E83 HydrophobicContact CE2-CG 4.44Å; Y50-A86 HydrophobicContact CD1-CB 3.88Å; Y50-A86 HydrophobicContact CD2-CB 4.24Å; Y50-A86 HydrophobicContact CG-CB 3.65Å; Y50-N104 HydrophobicContact CD1-CB 4.22Å; Y50-F105 HydrophobicContact CD1-CZ 4.32Å; Y50-F105 HydrophobicContact CE1-CE1 4.14Å; Y50-F105 AromaticContact CE1-CZ 3.84Å; Y50-F105 HydrophobicContact CE1-CZ 3.84Å | ||
| 51 | R | 91.1 | Very high | 77 | Confident | 135 Ų | 135 | 99.3 Ų | 99.3 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 133.6 | 177.3 | -58.1 | 168.8 | 67.8 | 134 | -0.2 | 109.7 | V53 H89 N104 | R51-V53 PolarHBondContact O-N 2.84Å; R51-H89 PolarHBondContact O-CD2 3.05Å; R51-H89 VanDerWaalsContact O-CD2 3.26Å; R51-N104 VanDerWaalsContact CB-OD1 3.29Å; R51-N104 WeakPolarHBondContact CB-OD1 3.34Å; R51-N104 WeakPolarHBondContact CG-OD1 3.21Å; R51-N104 PolarHBondContact N-OD1 2.69Å; R51-N104 PolarHBondContact O-ND2 3.17Å |
| 52 | G | 91.1 | Very high | 79.3 | Confident | 33 Ų | 33 | 95.5 Ų | 95.5 | 34% | 0.34 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 0.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y50 E64 | Y50-G52 PolarHBondContact O-N 2.84Å; G52-E64 PolarHBondContact O-N 3.2Å |
| 53 | V | 93.5 | Very high | 81.5 | Confident | 15 Ų | 15 | 87.7 Ų | 87.7 | 9% | 0.091 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.9 | -178.4 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | Y50 R51 W61 P82 A85 A86 | Y50-V53 PolarHBondContact O-N 3.46Å; R51-V53 PolarHBondContact O-N 2.84Å; V53-W61 HydrophobicContact CG1-CB 4.33Å; V53-W61 HydrophobicContact CG1-CD2 4.33Å; V53-W61 HydrophobicContact CG1-CE3 3.47Å; V53-W61 VanDerWaalsContact CG1-CE3 3.47Å; V53-W61 HydrophobicContact CG1-CZ3 4.1Å; V53-P82 HydrophobicContact CG1-CB 4.49Å; V53-A85 HydrophobicContact CB-CB 4.36Å; V53-A85 HydrophobicContact CG1-CB 3.79Å; V53-A85 HydrophobicContact CG2-CB 3.68Å; V53-A86 HydrophobicContact CG2-CB 3.97Å |
| 54 | R | 93.1 | Very high | 83.8 | Confident | 88 Ų | 88 | 83 Ų | 83 | 33% | 0.332 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.5 | 174 | 62.6 | 177.5 | 180 | 73.1 | 1 | 111.4 | V62 E64 | R54-V62 HydrophobicContact CG-CB 4.01Å; R54-V62 PolarHBondContact N-O 3.43Å; R54-V62 PolarHBondContact O-N 3.03Å; R54-E64 IonicContact CZ-OE2 3.63Å; R54-E64 IonicContact NE-OE2 3.14Å; R54-E64 PolarHBondContact NE-OE2 3.22Å; R54-E64 VanDerWaalsContact NE-OE2 3.14Å; R54-E64 IonicContact NH2-OE2 2.81Å; R54-E64 PolarHBondContact NH2-OE2 3.5Å |
| 55 | M | 92.8 | Very high | 86.3 | Confident | 97 Ų | 97 | 81.3 Ų | 81.3 | 48% | 0.478 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 127.1 | 172.6 | -165.5 | 168.3 | 67.4 | 0 | 0 | 110 | H47 W61 | H47-M55 VanDerWaalsContact CD2-CE 3.41Å; H47-M55 WeakPolarHBondContact CD2-CE 3.36Å; M55-W61 HydrophobicContact CB-CD2 4.49Å; M55-W61 HydrophobicContact CB-CE3 3.92Å; M55-W61 HydrophobicContact CB-CH2 4.08Å; M55-W61 HydrophobicContact CB-CZ3 3.73Å; M55-W61 HydrophobicContact CG-CE3 4.42Å; M55-W61 HydrophobicContact CG-CH2 4.31Å; M55-W61 HydrophobicContact CG-CZ2 4.36Å; M55-W61 HydrophobicContact CG-CZ3 4.35Å; M55-W61 HydrophobicContact SD-CH2 3.83Å; M55-W61 HydrophobicContact SD-CZ2 3.72Å; M55-W61 HydrophobicContact SD-CZ3 4.43Å |
| 56 | R | 92.5 | Very high | 88.2 | Confident | 145 Ų | 145 | 79.7 Ų | 79.7 | 55% | 0.547 | 40% | 0.396 | S | S | . | . | trans | -93.6 | 157 | 170.8 | -176.7 | 174.7 | -77.5 | 172.6 | -3.5 | 109.5 | W58 G59 K60 | R56-W58 HydrophobicContact CG-CB 4.39Å; R56-W58 PolarHBondContact O-N 2.84Å; R56-G59 PolarHBondContact O-N 3.33Å; R56-K60 PolarHBondContact N-O 3.46Å | ||
| 57 | A | 91.6 | Very high | 89.5 | Confident | 114 Ų | 114 | 74.8 Ų | 74.8 | 94% | 0.942 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G59 | A57-G59 PolarHBondContact O-N 3.49Š|
| 58 | W | 88.6 | Confident | 90.5 | Very high | 203 Ų | 203 | 74.7 Ų | 74.7 | 77% | 0.769 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -8.2 | 172 | -178.9 | -117.7 | 0 | 0 | 0 | 114.2 | R56 K60 | R56-W58 HydrophobicContact CG-CB 4.39Å; R56-W58 PolarHBondContact O-N 2.84Å; W58-K60 VanDerWaalsContact C-N 3.31Å; W58-K60 HydrophobicContact CG-CG 4.32Å; W58-K60 PolarHBondContact O-N 2.88Å |
| 59 | G | 91.3 | Very high | 91.2 | Very high | 46 Ų | 46 | 82.7 Ų | 82.7 | 47% | 0.474 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 78.1 | 12.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R56 A57 | R56-G59 PolarHBondContact O-N 3.33Å; A57-G59 PolarHBondContact O-N 3.49Å |
| 60 | K | 93.4 | Very high | 91.3 | Very high | 92 Ų | 92 | 82.1 Ų | 82.1 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | trans | -100.3 | 142.8 | 172.4 | -61.6 | -66.9 | -178 | -177.4 | 0 | 110.9 | R56 W58 | R56-K60 PolarHBondContact N-O 3.46Å; W58-K60 VanDerWaalsContact C-N 3.31Å; W58-K60 HydrophobicContact CG-CG 4.32Å; W58-K60 PolarHBondContact O-N 2.88Å | ||
| 61 | W | 94.4 | Very high | 91.3 | Very high | 25 Ų | 25 | 89.8 Ų | 89.8 | 10% | 0.095 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128.4 | 173.7 | -60 | 91 | 0 | 0 | 0 | 108.8 | H47 V53 M55 T78 F79 P82 A85 | H47-W61 HydrophobicContact CB-CH2 3.62Å; H47-W61 HydrophobicContact CB-CZ2 4.23Å; H47-W61 AromaticContact CG-CH2 3.91Å; V53-W61 HydrophobicContact CG1-CB 4.33Å; V53-W61 HydrophobicContact CG1-CD2 4.33Å; V53-W61 HydrophobicContact CG1-CE3 3.47Å; V53-W61 VanDerWaalsContact CG1-CE3 3.47Å; V53-W61 HydrophobicContact CG1-CZ3 4.1Å; M55-W61 HydrophobicContact CB-CD2 4.49Å; M55-W61 HydrophobicContact CB-CE3 3.92Å; M55-W61 HydrophobicContact CB-CH2 4.08Å; M55-W61 HydrophobicContact CB-CZ3 3.73Å; M55-W61 HydrophobicContact CG-CE3 4.42Å; M55-W61 HydrophobicContact CG-CH2 4.31Å; M55-W61 HydrophobicContact CG-CZ2 4.36Å; M55-W61 HydrophobicContact CG-CZ3 4.35Å; M55-W61 HydrophobicContact SD-CH2 3.83Å; M55-W61 HydrophobicContact SD-CZ2 3.72Å; M55-W61 HydrophobicContact SD-CZ3 4.43Å; W61-T78 CarbonylContact O-C 3.47Å; W61-T78 VanDerWaalsContact O-CA 3.25Å; W61-T78 WeakPolarHBondContact O-CA 3.26Å; W61-F79 WeakPolarHBondContact CB-O 3.37Å; W61-F79 PolarHBondContact N-O 2.99Å; W61-F79 PolarHBondContact O-N 2.93Å; W61-P82 HydrophobicContact CD2-CB 3.67Å; W61-P82 HydrophobicContact CD2-CG 4.31Å; W61-P82 HydrophobicContact CE3-CB 3.77Å; W61-P82 HydrophobicContact CG-CB 4.3Å; W61-P82 HydrophobicContact CH2-CB 3.86Å; W61-P82 HydrophobicContact CH2-CG 4.18Å; W61-P82 HydrophobicContact CZ2-CB 3.83Å; W61-P82 HydrophobicContact CZ2-CG 3.78Å; W61-P82 HydrophobicContact CZ3-CB 3.84Å; W61-A85 HydrophobicContact CB-CB 3.98Å |
| 62 | V | 94.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 87.1 Ų | 87.1 | 2% | 0.018 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132 | 178.1 | -168.3 | 0 | 0 | 0 | 0 | 108.8 | R54 T78 | R54-V62 HydrophobicContact CG-CB 4.01Å; R54-V62 PolarHBondContact N-O 3.43Å; R54-V62 PolarHBondContact O-N 3.03Å; V62-T78 HydrophobicContact CB-CG2 4.45Å; V62-T78 HydrophobicContact CG1-CG2 4.16Å; V62-T78 HydrophobicContact CG2-CG2 4Å |
| 63 | S | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 92.4 Ų | 92.4 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.9 | 173.6 | -165.2 | 0 | 0 | 0 | 0 | 109.7 | L76 G77 A85 | S63-L76 WeakPolarHBondContact O-CB 3.41Å; S63-L76 PolarHBondContact O-N 3.34Å; S63-G77 PolarHBondContact N-O 3.18Å; S63-G77 PolarHBondContact O-N 3.31Å; S63-A85 WeakPolarHBondContact CB-O 3.31Å; S63-A85 PolarHBondContact OG-O 2.74Å |
| 64 | E | 94.2 | Very high | 91.3 | Very high | 41 Ų | 41 | 92 Ų | 92 | 19% | 0.192 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 153.9 | 177.2 | 61.4 | -175.5 | -120.6 | 0 | 0 | 110 | G52 R54 I74 H89 | G52-E64 PolarHBondContact O-N 3.2Å; R54-E64 IonicContact CZ-OE2 3.63Å; R54-E64 IonicContact NE-OE2 3.14Å; R54-E64 PolarHBondContact NE-OE2 3.22Å; R54-E64 VanDerWaalsContact NE-OE2 3.14Å; R54-E64 IonicContact NH2-OE2 2.81Å; R54-E64 PolarHBondContact NH2-OE2 3.5Å; E64-I74 WeakPolarHBondContact CA-O 3.36Å; E64-H89 PolarHBondContact O-CE1 3.5Å; E64-H89 VanDerWaalsContact O-CE1 3.32Å; E64-H89 PolarHBondContact O-ND1 3.42Å |
| 65 | I | 93.2 | Very high | 91.3 | Very high | 9 Ų | 9 | 94.8 Ų | 94.8 | 5% | 0.046 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143.4 | 176.7 | -167.6 | 160.3 | 0 | 0 | 0 | 111.9 | I74 L76 A92 A93 V96 | I65-I74 HydrophobicContact CG2-CB 3.88Å; I65-I74 HydrophobicContact CG2-CD1 4.43Å; I65-I74 PolarHBondContact N-O 3.21Å; I65-I74 PolarHBondContact O-N 3.07Å; I65-L76 HydrophobicContact CB-CD1 4.36Å; I65-L76 HydrophobicContact CG2-CD1 4.44Å; I65-L76 HydrophobicContact CG2-CD2 4.1Å; I65-L76 HydrophobicContact CG2-CG 4.44Å; I65-A92 HydrophobicContact CB-CB 4.44Å; I65-A92 HydrophobicContact CD1-CB 4.04Å; I65-A92 HydrophobicContact CG2-CB 4.13Å; I65-A93 VanDerWaalsContact CD1-CA 3.5Å; I65-A93 HydrophobicContact CD1-CB 4.11Å; I65-V96 HydrophobicContact CD1-CB 3.91Å; I65-V96 HydrophobicContact CD1-CG1 4.29Å; I65-V96 HydrophobicContact CD1-CG2 3.99Å; I65-V96 HydrophobicContact CG1-CG2 4.48Å; I65-V96 HydrophobicContact CG2-CG2 4.31Å |
| 66 | R | 92.5 | Very high | 91.4 | Very high | 162 Ų | 162 | 90.4 Ų | 90.4 | 61% | 0.611 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.1 | 173 | -61.4 | -175.4 | -179.7 | -159.3 | 3.3 | 108.7 | R73 | R66-R73 HydrophobicContact CG-CG 4.4Å; R66-R73 VanDerWaalsContact NH2-CZ 3.34Å |
| 67 | E | 86.7 | Confident | 91.5 | Very high | 22 Ų | 22 | 84.1 Ų | 84.1 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | trans | -81.4 | 140.2 | 173.2 | -44.3 | -166.6 | -166.3 | 0 | 0 | 110 | R69 K70 I74 V96 | E67-R69 VanDerWaalsContact C-N 3.25Å; E67-R69 PolarHBondContact O-N 2.86Å; E67-K70 HydrophobicContact CB-CB 4.13Å; E67-K70 HydrophobicContact CB-CG 4.34Å; E67-K70 HydrophobicContact CG-CD 4.46Å; E67-K70 IonicContact OE1-NZ 2.89Å; E67-K70 PolarHBondContact OE1-NZ 3.08Å; E67-K70 WeakPolarHBondContact OE2-CD 3.49Å; E67-K70 WeakPolarHBondContact OE2-CE 3.36Å; E67-K70 WeakPolarHBondContact OE2-CG 3.29Å; E67-K70 IonicContact OE2-NZ 3.18Å; E67-K70 PolarHBondContact OE2-NZ 2.85Å; E67-I74 VanDerWaalsContact OE1-CD1 3.32Å; E67-I74 WeakPolarHBondContact OE1-CD1 3.07Å; E67-V96 HydrophobicContact CB-CG1 3.64Å; E67-V96 HydrophobicContact CG-CB 4.35Å; E67-V96 HydrophobicContact CG-CG1 3.47Å; E67-V96 VanDerWaalsContact CG-CG1 3.47Å; E67-V96 HydrophobicContact CG-CG2 3.93Å | ||
| 68 | P | 85.5 | Confident | 91.7 | Very high | 100 Ų | 100 | 82.2 Ų | 82.2 | 65% | 0.649 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -69.2 | -25.3 | 178.9 | 27.3 | -34.1 | 0 | 0 | 0 | 112.9 | ||
| 69 | R | 86.1 | Confident | 92 | Very high | 240 Ų | 240 | 73.4 Ų | 73.4 | 91% | 0.906 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -89.8 | -23 | -177.9 | -68.7 | -176.1 | 172.5 | -179.4 | -2.4 | 113.5 | E67 | E67-R69 VanDerWaalsContact C-N 3.25Å; E67-R69 PolarHBondContact O-N 2.86Å |
| 70 | K | 87.1 | Confident | 92.1 | Very high | 101 Ų | 101 | 75 Ų | 75 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | trans | -110.2 | 144.6 | -175.3 | -57.3 | -174.4 | -167.7 | 146.5 | 0 | 110.1 | E67 S72 | E67-K70 HydrophobicContact CB-CB 4.13Å; E67-K70 HydrophobicContact CB-CG 4.34Å; E67-K70 HydrophobicContact CG-CD 4.46Å; E67-K70 IonicContact OE1-NZ 2.89Å; E67-K70 PolarHBondContact OE1-NZ 3.08Å; E67-K70 WeakPolarHBondContact OE2-CD 3.49Å; E67-K70 WeakPolarHBondContact OE2-CE 3.36Å; E67-K70 WeakPolarHBondContact OE2-CG 3.29Å; E67-K70 IonicContact OE2-NZ 3.18Å; E67-K70 PolarHBondContact OE2-NZ 2.85Å; K70-S72 PolarHBondContact O-N 3.17Å | ||
| 71 | K | 89.5 | Confident | 92.1 | Very high | 215 Ų | 215 | 73 Ų | 73 | 94% | 0.935 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -75.8 | -14.4 | 168.7 | -168.4 | 171.6 | 178.7 | -179 | 0 | 112.4 | ||
| 72 | S | 90.1 | Very high | 92 | Very high | 78 Ų | 78 | 72.5 Ų | 72.5 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | trans | -76.3 | 152.7 | -178.9 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | K70 | K70-S72 PolarHBondContact O-N 3.17Š| ||
| 73 | R | 92.3 | Very high | 92 | Very high | 145 Ų | 145 | 75.4 Ų | 75.4 | 55% | 0.547 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.2 | 173.8 | -55.4 | -176.6 | -172.2 | -179.8 | 8.8 | 108.5 | R66 | R66-R73 HydrophobicContact CG-CG 4.4Å; R66-R73 VanDerWaalsContact NH2-CZ 3.34Å |
| 74 | I | 92.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 77.4 Ų | 77.4 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.4 | 174.4 | -56.1 | 172.3 | 0 | 0 | 0 | 107.6 | E64 I65 E67 L76 P120 | E64-I74 WeakPolarHBondContact CA-O 3.36Å; I65-I74 HydrophobicContact CG2-CB 3.88Å; I65-I74 HydrophobicContact CG2-CD1 4.43Å; I65-I74 PolarHBondContact N-O 3.21Å; I65-I74 PolarHBondContact O-N 3.07Å; E67-I74 VanDerWaalsContact OE1-CD1 3.32Å; E67-I74 WeakPolarHBondContact OE1-CD1 3.07Å; I74-L76 HydrophobicContact CG2-CD2 4.02Å; I74-P120 HydrophobicContact CD1-CG 4.43Å; I74-P120 HydrophobicContact CG1-CG 4.47Å; I74-P120 HydrophobicContact CG2-CB 4.19Å |
| 75 | W | 93.9 | Very high | 91.9 | Very high | 146 Ų | 146 | 75.4 Ų | 75.4 | 55% | 0.553 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 117.7 | 169.7 | 176.9 | 47.9 | 0 | 0 | 0 | 108.4 | G77 T78 Q124 | W75-G77 PolarHBondContact NE1-O 2.73Å; W75-T78 HydrophobicContact CZ2-CG2 4Å; W75-Q124 WeakPolarHBondContact O-CG 3.48Å; W75-Q124 PolarHBondContact O-NE2 2.94Å |
| 76 | L | 94.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -38.7 | -175.6 | -57.7 | 174.6 | 0 | 0 | 0 | 111.2 | S63 I65 I74 A92 V123 A127 | S63-L76 WeakPolarHBondContact O-CB 3.41Å; S63-L76 PolarHBondContact O-N 3.34Å; I65-L76 HydrophobicContact CB-CD1 4.36Å; I65-L76 HydrophobicContact CG2-CD1 4.44Å; I65-L76 HydrophobicContact CG2-CD2 4.1Å; I65-L76 HydrophobicContact CG2-CG 4.44Å; I74-L76 HydrophobicContact CG2-CD2 4.02Å; L76-A92 HydrophobicContact CD1-CB 3.51Å; L76-A92 HydrophobicContact CD2-CB 3.55Å; L76-A92 HydrophobicContact CG-CB 4.19Å; L76-V123 HydrophobicContact CD2-CG1 3.57Å; L76-A127 HydrophobicContact CB-CB 4.2Å; L76-A127 HydrophobicContact CD2-CB 4.33Å |
| 77 | G | 95.1 | Very high | 92 | Very high | 12 Ų | 12 | 67.4 Ų | 67.4 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.3 | -175.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | S63 W75 | S63-G77 PolarHBondContact N-O 3.18Å; S63-G77 PolarHBondContact O-N 3.31Å; W75-G77 PolarHBondContact NE1-O 2.73Å |
| 78 | T | 95.6 | Very high | 92.3 | Very high | 75 Ų | 75 | 66.4 Ų | 66.4 | 46% | 0.46 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.8 | 172 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | W61 V62 W75 | W61-T78 CarbonylContact O-C 3.47Å; W61-T78 VanDerWaalsContact O-CA 3.25Å; W61-T78 WeakPolarHBondContact O-CA 3.26Å; V62-T78 HydrophobicContact CB-CG2 4.45Å; V62-T78 HydrophobicContact CG1-CG2 4.16Å; V62-T78 HydrophobicContact CG2-CG2 4Å; W75-T78 HydrophobicContact CZ2-CG2 4Å |
| 79 | F | 94.5 | Very high | 92.8 | Very high | 17 Ų | 17 | 62.8 Ų | 62.8 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 152.3 | -171.7 | -57.2 | -78.9 | 0 | 0 | 0 | 110.9 | W61 M84 A85 A88 A131 | W61-F79 WeakPolarHBondContact CB-O 3.37Å; W61-F79 PolarHBondContact N-O 2.99Å; W61-F79 PolarHBondContact O-N 2.93Å; F79-M84 HydrophobicContact CB-CB 3.99Å; F79-M84 HydrophobicContact CD1-CB 4.22Å; F79-M84 HydrophobicContact CD1-CE 4.43Å; F79-M84 HydrophobicContact CG-CB 4.24Å; F79-A85 HydrophobicContact CB-CB 4.08Å; F79-A85 VanDerWaalsContact CD2-CA 3.47Å; F79-A85 HydrophobicContact CD2-CB 3.72Å; F79-A85 HydrophobicContact CG-CB 4.24Å; F79-A88 HydrophobicContact CD2-CB 4.38Å; F79-A88 HydrophobicContact CE1-CB 4.39Å; F79-A88 HydrophobicContact CE2-CB 3.49Å; F79-A88 VanDerWaalsContact CE2-CB 3.49Å; F79-A88 HydrophobicContact CZ-CB 3.49Å; F79-A88 VanDerWaalsContact CZ-CB 3.49Å; F79-A131 HydrophobicContact CD1-CB 3.78Å; F79-A131 HydrophobicContact CE1-CB 3.27Å; F79-A131 HydrophobicContact CZ-CB 3.92Å |
| 80 | P | 92.9 | Very high | 93.1 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -75.6 | -27.4 | 178.1 | 29.7 | -34.1 | 0 | 0 | 0 | 112.8 | M84 | P80-M84 HydrophobicContact CG-SD 3.87Š|
| 81 | T | 93.3 | Very high | 93.4 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 31% | 0.307 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -117.5 | 149.6 | -179.5 | 68.3 | 0 | 0 | 0 | 0 | 111.4 | E83 M84 A85 | T81-E83 VanDerWaalsContact C-N 3.28Å; T81-E83 WeakPolarHBondContact CB-OE2 3.4Å; T81-E83 PolarHBondContact O-N 3.26Å; T81-M84 VanDerWaalsContact OG1-CB 3.26Å; T81-M84 WeakPolarHBondContact OG1-CB 3.37Å; T81-M84 WeakPolarHBondContact OG1-CG 3.45Å; T81-M84 PolarHBondContact OG1-N 3.4Å; T81-M84 PolarHBondContact OG1-SD 3.2Å; T81-A85 PolarHBondContact O-N 3.46Å |
| 82 | P | 93.3 | Very high | 93.6 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67 | -31.4 | 175.9 | 24.7 | -29 | 0 | 0 | 0 | 112.1 | Y50 V53 W61 A85 A86 | Y50-P82 HydrophobicContact CD2-CB 3.81Å; Y50-P82 HydrophobicContact CE2-CB 3.85Å; Y50-P82 HydrophobicContact CE2-CG 4.26Å; V53-P82 HydrophobicContact CG1-CB 4.49Å; W61-P82 HydrophobicContact CD2-CB 3.67Å; W61-P82 HydrophobicContact CD2-CG 4.31Å; W61-P82 HydrophobicContact CE3-CB 3.77Å; W61-P82 HydrophobicContact CG-CB 4.3Å; W61-P82 HydrophobicContact CH2-CB 3.86Å; W61-P82 HydrophobicContact CH2-CG 4.18Å; W61-P82 HydrophobicContact CZ2-CB 3.83Å; W61-P82 HydrophobicContact CZ2-CG 3.78Å; W61-P82 HydrophobicContact CZ3-CB 3.84Å; P82-A85 PolarHBondContact O-N 3.08Å; P82-A86 WeakPolarHBondContact O-CB 3.48Å; P82-A86 PolarHBondContact O-N 3.21Å |
| 83 | E | 93.1 | Very high | 93.7 | Very high | 65 Ų | 65 | 33.1 Ų | 33.1 | 30% | 0.304 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 179.5 | -60.2 | 74.3 | -160.3 | 0 | 0 | 111.1 | Y50 T81 A85 A86 R87 F105 | Y50-E83 HydrophobicContact CE2-CG 4.44Å; T81-E83 VanDerWaalsContact C-N 3.28Å; T81-E83 WeakPolarHBondContact CB-OE2 3.4Å; T81-E83 PolarHBondContact O-N 3.26Å; E83-A85 VanDerWaalsContact C-N 3.31Å; E83-A85 PolarHBondContact O-N 3.26Å; E83-A86 PolarHBondContact O-N 3.47Å; E83-R87 WeakPolarHBondContact O-CG 3.38Å; E83-R87 PolarHBondContact O-N 3.25Å; E83-F105 HydrophobicContact CB-CZ 4.34Å |
| 84 | M | 93.3 | Very high | 93.6 | Very high | 41 Ų | 41 | 27.6 Ų | 27.6 | 20% | 0.202 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 174.7 | -74.8 | 176.9 | 83.2 | 0 | 0 | 111.4 | F79 P80 T81 A86 R87 A88 A131 | F79-M84 HydrophobicContact CB-CB 3.99Å; F79-M84 HydrophobicContact CD1-CB 4.22Å; F79-M84 HydrophobicContact CD1-CE 4.43Å; F79-M84 HydrophobicContact CG-CB 4.24Å; P80-M84 HydrophobicContact CG-SD 3.87Å; T81-M84 VanDerWaalsContact OG1-CB 3.26Å; T81-M84 WeakPolarHBondContact OG1-CB 3.37Å; T81-M84 WeakPolarHBondContact OG1-CG 3.45Å; T81-M84 PolarHBondContact OG1-N 3.4Å; T81-M84 PolarHBondContact OG1-SD 3.2Å; M84-A86 VanDerWaalsContact C-N 3.29Å; M84-A86 PolarHBondContact O-N 2.98Å; M84-R87 PolarHBondContact O-N 3.14Å; M84-A88 WeakPolarHBondContact O-CB 3.4Å; M84-A88 PolarHBondContact O-N 2.77Å; M84-A131 HydrophobicContact CB-CB 4.4Å; M84-A131 HydrophobicContact CE-CB 4.3Å; M84-A131 WeakPolarHBondContact CE-O 3.14Å |
| 85 | A | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -36.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V53 W61 S63 F79 T81 P82 E83 H89 | V53-A85 HydrophobicContact CB-CB 4.36Å; V53-A85 HydrophobicContact CG1-CB 3.79Å; V53-A85 HydrophobicContact CG2-CB 3.68Å; W61-A85 HydrophobicContact CB-CB 3.98Å; S63-A85 WeakPolarHBondContact CB-O 3.31Å; S63-A85 PolarHBondContact OG-O 2.74Å; F79-A85 HydrophobicContact CB-CB 4.08Å; F79-A85 VanDerWaalsContact CD2-CA 3.47Å; F79-A85 HydrophobicContact CD2-CB 3.72Å; F79-A85 HydrophobicContact CG-CB 4.24Å; T81-A85 PolarHBondContact O-N 3.46Å; P82-A85 PolarHBondContact O-N 3.08Å; E83-A85 VanDerWaalsContact C-N 3.31Å; E83-A85 PolarHBondContact O-N 3.26Å; A85-H89 PolarHBondContact O-N 2.9Å |
| 86 | A | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.9 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y50 V53 P82 E83 M84 A88 H89 D90 N104 F105 | Y50-A86 HydrophobicContact CD1-CB 3.88Å; Y50-A86 HydrophobicContact CD2-CB 4.24Å; Y50-A86 HydrophobicContact CG-CB 3.65Å; V53-A86 HydrophobicContact CG2-CB 3.97Å; P82-A86 WeakPolarHBondContact O-CB 3.48Å; P82-A86 PolarHBondContact O-N 3.21Å; E83-A86 PolarHBondContact O-N 3.47Å; M84-A86 VanDerWaalsContact C-N 3.29Å; M84-A86 PolarHBondContact O-N 2.98Å; A86-A88 PolarHBondContact O-N 3.37Å; A86-H89 WeakPolarHBondContact O-CB 3.45Å; A86-H89 PolarHBondContact O-N 3.29Å; A86-H89 VanDerWaalsContact O-N 3.13Å; A86-D90 PolarHBondContact O-N 2.87Å; A86-N104 HydrophobicContact CB-CB 4.28Å; A86-F105 HydrophobicContact CB-CD2 4.35Å; A86-F105 HydrophobicContact CB-CE2 3.46Å; A86-F105 VanDerWaalsContact CB-CE2 3.46Å; A86-F105 HydrophobicContact CB-CZ 4.07Å |
| 87 | R | 92.9 | Very high | 93 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 172.2 | -70.1 | -165.2 | -64.2 | -123.6 | 5.5 | 112.4 | E83 M84 H89 D90 A91 F105 M108 A130 A131 M133 E134 P135 | E83-R87 WeakPolarHBondContact O-CG 3.38Å; E83-R87 PolarHBondContact O-N 3.25Å; M84-R87 PolarHBondContact O-N 3.14Å; R87-H89 VanDerWaalsContact C-N 3.26Å; R87-H89 PolarHBondContact O-N 3.26Å; R87-D90 PolarHBondContact O-N 3.45Å; R87-A91 PolarHBondContact O-N 3.26Å; R87-A91 VanDerWaalsContact O-N 3.11Å; R87-F105 HydrophobicContact CG-CD2 3.87Å; R87-F105 HydrophobicContact CG-CE2 3.82Å; R87-M108 VanDerWaalsContact CD-SD 3.6Å; R87-M108 HydrophobicContact CG-CE 3.59Å; R87-M108 HydrophobicContact CG-SD 4.19Å; R87-A130 WeakPolarHBondContact CD-O 3.22Å; R87-A130 PolarHBondContact NE-O 3.48Å; R87-A130 VanDerWaalsContact NE-O 3.17Å; R87-A131 PolarHBondContact NH2-O 2.95Å; R87-M133 WeakPolarHBondContact CD-O 3.4Å; R87-M133 PolarHBondContact NE-O 3.05Å; R87-M133 PolarHBondContact NH1-O 2.79Å; R87-M133 PolarHBondContact NH2-O 3.09Å; R87-E134 IonicContact NH2-OE1 3.21Å; R87-E134 PolarHBondContact NH2-OE1 3.06Å; R87-P135 VanDerWaalsContact NH1-CG 3.34Å |
| 88 | A | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.3 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F79 M84 A86 A92 A127 A131 | F79-A88 HydrophobicContact CD2-CB 4.38Å; F79-A88 HydrophobicContact CE1-CB 4.39Å; F79-A88 HydrophobicContact CE2-CB 3.49Å; F79-A88 VanDerWaalsContact CE2-CB 3.49Å; F79-A88 HydrophobicContact CZ-CB 3.49Å; F79-A88 VanDerWaalsContact CZ-CB 3.49Å; M84-A88 WeakPolarHBondContact O-CB 3.4Å; M84-A88 PolarHBondContact O-N 2.77Å; A86-A88 PolarHBondContact O-N 3.37Å; A88-A92 PolarHBondContact O-N 2.92Å; A88-A127 HydrophobicContact CB-CB 4Å; A88-A131 HydrophobicContact CB-CB 4.32Å |
| 89 | H | 94.8 | Very high | 91.9 | Very high | 25 Ų | 25 | 32.7 Ų | 32.7 | 12% | 0.116 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 176.7 | -168.5 | 71.8 | 0 | 0 | 0 | 112.2 | R51 E64 A85 A86 R87 A92 A93 | R51-H89 PolarHBondContact O-CD2 3.05Å; R51-H89 VanDerWaalsContact O-CD2 3.26Å; E64-H89 PolarHBondContact O-CE1 3.5Å; E64-H89 VanDerWaalsContact O-CE1 3.32Å; E64-H89 PolarHBondContact O-ND1 3.42Å; A85-H89 PolarHBondContact O-N 2.9Å; A86-H89 WeakPolarHBondContact O-CB 3.45Å; A86-H89 PolarHBondContact O-N 3.29Å; A86-H89 VanDerWaalsContact O-N 3.13Å; R87-H89 VanDerWaalsContact C-N 3.26Å; R87-H89 PolarHBondContact O-N 3.26Å; H89-A92 PolarHBondContact O-N 3.38Å; H89-A93 VanDerWaalsContact O-CB 3.31Å; H89-A93 WeakPolarHBondContact O-CB 3.25Å; H89-A93 PolarHBondContact O-N 3.13Å |
| 90 | D | 93.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | -179.1 | -71.5 | -9.1 | 0 | 0 | 0 | 111.8 | A86 R87 A92 A93 L94 L103 N104 F105 L112 | A86-D90 PolarHBondContact O-N 2.87Å; R87-D90 PolarHBondContact O-N 3.45Å; D90-A92 VanDerWaalsContact C-N 3.33Å; D90-A92 PolarHBondContact O-N 3.22Å; D90-A93 PolarHBondContact O-N 3.11Å; D90-L94 WeakPolarHBondContact O-CG 3.4Å; D90-L94 PolarHBondContact O-N 3.46Å; D90-L103 HydrophobicContact CB-CB 4.24Å; D90-L103 HydrophobicContact CB-CD1 4.46Å; D90-L103 HydrophobicContact CB-CD2 4.05Å; D90-L103 HydrophobicContact CB-CG 4.47Å; D90-N104 VanDerWaalsContact CG-N 3.31Å; D90-N104 PolarHBondContact OD1-N 2.85Å; D90-N104 PolarHBondContact OD1-ND2 3.14Å; D90-N104 WeakPolarHBondContact OD2-CB 3.49Å; D90-N104 PolarHBondContact OD2-N 3.5Å; D90-N104 VanDerWaalsContact OD2-N 3.08Å; D90-F105 WeakPolarHBondContact OD2-CD2 3.19Å; D90-F105 PolarHBondContact OD2-N 3.5Å; D90-L112 HydrophobicContact CB-CD1 3.73Å |
| 91 | A | 93 | Very high | 91 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R87 V95 L112 A130 | R87-A91 PolarHBondContact O-N 3.26Å; R87-A91 VanDerWaalsContact O-N 3.11Å; A91-V95 WeakPolarHBondContact O-CG2 3.41Å; A91-L112 HydrophobicContact CB-CD2 4.45Å; A91-A130 HydrophobicContact CB-CB 3.59Å |
| 92 | A | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.1 | -37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I65 L76 A88 H89 D90 L94 V95 V96 V123 | I65-A92 HydrophobicContact CB-CB 4.44Å; I65-A92 HydrophobicContact CD1-CB 4.04Å; I65-A92 HydrophobicContact CG2-CB 4.13Å; L76-A92 HydrophobicContact CD1-CB 3.51Å; L76-A92 HydrophobicContact CD2-CB 3.55Å; L76-A92 HydrophobicContact CG-CB 4.19Å; A88-A92 PolarHBondContact O-N 2.92Å; H89-A92 PolarHBondContact O-N 3.38Å; D90-A92 VanDerWaalsContact C-N 3.33Å; D90-A92 PolarHBondContact O-N 3.22Å; A92-L94 VanDerWaalsContact C-N 3.34Å; A92-L94 PolarHBondContact O-N 3.25Å; A92-V95 PolarHBondContact O-N 3.03Å; A92-V95 VanDerWaalsContact O-N 3.17Å; A92-V96 WeakPolarHBondContact O-CG2 3.48Å; A92-V96 PolarHBondContact O-N 3.13Å; A92-V123 HydrophobicContact CB-CG1 3.59Å |
| 93 | A | 92.5 | Very high | 90.6 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I65 H89 D90 V95 V96 K97 A101 L103 | I65-A93 VanDerWaalsContact CD1-CA 3.5Å; I65-A93 HydrophobicContact CD1-CB 4.11Å; H89-A93 VanDerWaalsContact O-CB 3.31Å; H89-A93 WeakPolarHBondContact O-CB 3.25Å; H89-A93 PolarHBondContact O-N 3.13Å; D90-A93 PolarHBondContact O-N 3.11Å; A93-V95 PolarHBondContact O-N 3.39Å; A93-V96 PolarHBondContact O-N 3.47Å; A93-K97 WeakPolarHBondContact O-CA 3.48Å; A93-K97 WeakPolarHBondContact O-CB 3.36Å; A93-K97 PolarHBondContact O-N 2.87Å; A93-A101 HydrophobicContact CB-CB 4.19Å; A93-L103 HydrophobicContact CB-CD2 3.92Å |
| 94 | L | 90.7 | Very high | 90.5 | Very high | 28 Ų | 28 | 34 Ų | 34 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.3 | -36.5 | 174.3 | -76.1 | 173.4 | 0 | 0 | 0 | 112.7 | D90 A92 G98 A101 L103 L112 | D90-L94 WeakPolarHBondContact O-CG 3.4Å; D90-L94 PolarHBondContact O-N 3.46Å; A92-L94 VanDerWaalsContact C-N 3.34Å; A92-L94 PolarHBondContact O-N 3.25Å; L94-G98 CarbonylContact O-C 3.35Å; L94-G98 WeakPolarHBondContact O-CA 3.4Å; L94-G98 PolarHBondContact O-N 2.86Å; L94-G98 VanDerWaalsContact O-N 3.09Å; L94-A101 HydrophobicContact CD2-CB 4.5Å; L94-L103 HydrophobicContact CD1-CD1 4.29Å; L94-L103 HydrophobicContact CD2-CD1 3.99Å; L94-L103 HydrophobicContact CD2-CD2 4.29Å; L94-L103 HydrophobicContact CG-CD1 4.08Å; L94-L103 HydrophobicContact CG-CD2 4.1Å; L94-L112 HydrophobicContact CD1-CB 4.08Å; L94-L112 HydrophobicContact CD1-CD1 3.86Å |
| 95 | V | 89.8 | Confident | 90.3 | Very high | 36 Ų | 36 | 33.3 Ų | 33.3 | 22% | 0.218 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78.8 | -47.5 | -177.4 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | A91 A92 A93 P115 A118 V123 | A91-V95 WeakPolarHBondContact O-CG2 3.41Å; A92-V95 PolarHBondContact O-N 3.03Å; A92-V95 VanDerWaalsContact O-N 3.17Å; A93-V95 PolarHBondContact O-N 3.39Å; V95-P115 HydrophobicContact CB-CG 4.26Å; V95-P115 HydrophobicContact CG1-CG 4.14Å; V95-P115 HydrophobicContact CG2-CG 3.14Å; V95-A118 HydrophobicContact CG1-CB 4.03Å; V95-V123 HydrophobicContact CB-CG2 4.37Å; V95-V123 HydrophobicContact CG1-CG2 3.95Å |
| 96 | V | 89.6 | Confident | 89.9 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -77.1 | -40 | -173 | 168.3 | 0 | 0 | 0 | 0 | 112 | I65 E67 A92 A93 | I65-V96 HydrophobicContact CD1-CB 3.91Å; I65-V96 HydrophobicContact CD1-CG1 4.29Å; I65-V96 HydrophobicContact CD1-CG2 3.99Å; I65-V96 HydrophobicContact CG1-CG2 4.48Å; I65-V96 HydrophobicContact CG2-CG2 4.31Å; E67-V96 HydrophobicContact CB-CG1 3.64Å; E67-V96 HydrophobicContact CG-CB 4.35Å; E67-V96 HydrophobicContact CG-CG1 3.47Å; E67-V96 VanDerWaalsContact CG-CG1 3.47Å; E67-V96 HydrophobicContact CG-CG2 3.93Å; A92-V96 WeakPolarHBondContact O-CG2 3.48Å; A92-V96 PolarHBondContact O-N 3.13Å; A93-V96 PolarHBondContact O-N 3.47Å |
| 97 | K | 89.1 | Confident | 89.5 | Confident | 137 Ų | 137 | 44.1 Ų | 44.1 | 60% | 0.596 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -98.3 | -17.8 | -175.4 | -170.9 | 63.6 | 164.6 | -178 | 0 | 112 | A93 A101 | A93-K97 WeakPolarHBondContact O-CA 3.48Å; A93-K97 WeakPolarHBondContact O-CB 3.36Å; A93-K97 PolarHBondContact O-N 2.87Å; K97-A101 HydrophobicContact CB-CB 3.89Å; K97-A101 HydrophobicContact CG-CB 4.08Å |
| 98 | G | 86.1 | Confident | 88.9 | Confident | 19 Ų | 19 | 45 Ų | 45 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | trans | 84.6 | -168.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L94 A100 A101 | L94-G98 CarbonylContact O-C 3.35Å; L94-G98 WeakPolarHBondContact O-CA 3.4Å; L94-G98 PolarHBondContact O-N 2.86Å; L94-G98 VanDerWaalsContact O-N 3.09Å; G98-A100 PolarHBondContact O-N 3.05Å; G98-A100 VanDerWaalsContact O-N 3.1Å; G98-A101 VanDerWaalsContact O-CB 3.32Å; G98-A101 WeakPolarHBondContact O-CB 3.46Å; G98-A101 PolarHBondContact O-N 3.23Å; G98-A101 VanDerWaalsContact O-N 3.08Å | ||
| 99 | P | 81.6 | Confident | 88.2 | Confident | 135 Ų | 135 | 46.5 Ų | 46.5 | 88% | 0.877 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.5 | -176.4 | 26.7 | -35.2 | 0 | 0 | 0 | 114 | A101 | P99-A101 VanDerWaalsContact C-N 3.25Å; P99-A101 PolarHBondContact O-N 3.46Å |
| 100 | A | 80.9 | Confident | 87.4 | Confident | 83 Ų | 83 | 49.9 Ų | 49.9 | 69% | 0.686 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 17.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G98 | G98-A100 PolarHBondContact O-N 3.05Å; G98-A100 VanDerWaalsContact O-N 3.1Å |
| 101 | A | 87.4 | Confident | 86.8 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 13% | 0.132 | 33% | 0.333 | C | S | . | . | trans | -67.5 | 135.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A93 L94 K97 G98 P99 L103 | A93-A101 HydrophobicContact CB-CB 4.19Å; L94-A101 HydrophobicContact CD2-CB 4.5Å; K97-A101 HydrophobicContact CB-CB 3.89Å; K97-A101 HydrophobicContact CG-CB 4.08Å; G98-A101 VanDerWaalsContact O-CB 3.32Å; G98-A101 WeakPolarHBondContact O-CB 3.46Å; G98-A101 PolarHBondContact O-N 3.23Å; G98-A101 VanDerWaalsContact O-N 3.08Å; P99-A101 VanDerWaalsContact C-N 3.25Å; P99-A101 PolarHBondContact O-N 3.46Å; A101-L103 HydrophobicContact CB-CD2 3.75Å; A101-L103 PolarHBondContact O-N 3.36Å | ||
| 102 | V | 87.8 | Confident | 86.1 | Confident | 95 Ų | 95 | 53 Ų | 53 | 58% | 0.576 | 33% | 0.334 | S | S | * | . | trans | -87.7 | 108.4 | 170.1 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 103 | L | 91.3 | Very high | 85.4 | Confident | 25 Ų | 25 | 54.6 Ų | 54.6 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | trans | -91.4 | 162 | -176.4 | -51.9 | -175.3 | 0 | 0 | 0 | 111.5 | D90 A93 L94 A101 A109 | D90-L103 HydrophobicContact CB-CB 4.24Å; D90-L103 HydrophobicContact CB-CD1 4.46Å; D90-L103 HydrophobicContact CB-CD2 4.05Å; D90-L103 HydrophobicContact CB-CG 4.47Å; A93-L103 HydrophobicContact CB-CD2 3.92Å; L94-L103 HydrophobicContact CD1-CD1 4.29Å; L94-L103 HydrophobicContact CD2-CD1 3.99Å; L94-L103 HydrophobicContact CD2-CD2 4.29Å; L94-L103 HydrophobicContact CG-CD1 4.08Å; L94-L103 HydrophobicContact CG-CD2 4.1Å; A101-L103 HydrophobicContact CB-CD2 3.75Å; A101-L103 PolarHBondContact O-N 3.36Å; L103-A109 HydrophobicContact CD1-CB 3.54Å | ||
| 104 | N | 90.8 | Very high | 84.7 | Confident | 33 Ų | 33 | 64 Ų | 64 | 18% | 0.176 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -76.1 | -38.7 | 170.5 | -61.9 | -73.9 | 0 | 0 | 0 | 111.1 | Y50 R51 A86 D90 P106 | Y50-N104 HydrophobicContact CD1-CB 4.22Å; R51-N104 VanDerWaalsContact CB-OD1 3.29Å; R51-N104 WeakPolarHBondContact CB-OD1 3.34Å; R51-N104 WeakPolarHBondContact CG-OD1 3.21Å; R51-N104 PolarHBondContact N-OD1 2.69Å; R51-N104 PolarHBondContact O-ND2 3.17Å; A86-N104 HydrophobicContact CB-CB 4.28Å; D90-N104 VanDerWaalsContact CG-N 3.31Å; D90-N104 PolarHBondContact OD1-N 2.85Å; D90-N104 PolarHBondContact OD1-ND2 3.14Å; D90-N104 WeakPolarHBondContact OD2-CB 3.49Å; D90-N104 PolarHBondContact OD2-N 3.5Å; D90-N104 VanDerWaalsContact OD2-N 3.08Å; N104-P106 WeakPolarHBondContact O-CD 3.32Å |
| 105 | F | 89.2 | Confident | 84.1 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | trans | -119.4 | 82.9 | -177 | -56.5 | -69.6 | 0 | 0 | 0 | 111 | Y50 E83 A86 R87 D90 E107 M108 A109 | Y50-F105 HydrophobicContact CD1-CZ 4.32Å; Y50-F105 HydrophobicContact CE1-CE1 4.14Å; Y50-F105 AromaticContact CE1-CZ 3.84Å; Y50-F105 HydrophobicContact CE1-CZ 3.84Å; E83-F105 HydrophobicContact CB-CZ 4.34Å; A86-F105 HydrophobicContact CB-CD2 4.35Å; A86-F105 HydrophobicContact CB-CE2 3.46Å; A86-F105 VanDerWaalsContact CB-CE2 3.46Å; A86-F105 HydrophobicContact CB-CZ 4.07Å; R87-F105 HydrophobicContact CG-CD2 3.87Å; R87-F105 HydrophobicContact CG-CE2 3.82Å; D90-F105 WeakPolarHBondContact OD2-CD2 3.19Å; D90-F105 PolarHBondContact OD2-N 3.5Å; F105-E107 WeakPolarHBondContact CB-OE1 3.35Å; F105-E107 VanDerWaalsContact CD1-OE1 3.31Å; F105-E107 WeakPolarHBondContact CD1-OE1 3.38Å; F105-E107 PolarHBondContact O-N 3.18Å; F105-M108 HydrophobicContact CB-CB 4.24Å; F105-M108 HydrophobicContact CB-CE 3.25Å; F105-M108 HydrophobicContact CB-CG 4.48Å; F105-M108 HydrophobicContact CD1-CE 3.68Å; F105-M108 HydrophobicContact CD2-CE 3.41Å; F105-M108 VanDerWaalsContact CD2-CE 3.41Å; F105-M108 HydrophobicContact CE1-CE 4.33Å; F105-M108 HydrophobicContact CE2-CE 4.07Å; F105-M108 HydrophobicContact CG-CE 3.16Å; F105-M108 PolarHBondContact O-N 2.98Å; F105-A109 PolarHBondContact O-N 3.14Å | ||
| 106 | P | 85.5 | Confident | 83.5 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 62% | 0.617 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -60.4 | -28.9 | 178.5 | 26 | -34.6 | 0 | 0 | 0 | 112.8 | N104 M108 A109 | N104-P106 WeakPolarHBondContact O-CD 3.32Å; P106-M108 VanDerWaalsContact C-N 3.29Å; P106-M108 PolarHBondContact O-N 3.32Å; P106-A109 VanDerWaalsContact O-CB 3.22Å; P106-A109 WeakPolarHBondContact O-CB 3.31Å; P106-A109 PolarHBondContact O-N 3.35Å |
| 107 | E | 85.4 | Confident | 83.3 | Confident | 131 Ų | 131 | 69.3 Ų | 69.3 | 61% | 0.612 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -65.8 | -29.4 | 178.4 | 69.1 | -75.5 | 176.5 | 0 | 0 | 113.2 | F105 | F105-E107 WeakPolarHBondContact CB-OE1 3.35Å; F105-E107 VanDerWaalsContact CD1-OE1 3.31Å; F105-E107 WeakPolarHBondContact CD1-OE1 3.38Å; F105-E107 PolarHBondContact O-N 3.18Å |
| 108 | M | 81.2 | Confident | 83.2 | Confident | 22 Ų | 22 | 65 Ų | 65 | 11% | 0.108 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -90.3 | -10 | 178.3 | -70.1 | -172.4 | -76.6 | 0 | 0 | 112.8 | R87 F105 P106 A110 A111 L112 | R87-M108 VanDerWaalsContact CD-SD 3.6Å; R87-M108 HydrophobicContact CG-CE 3.59Å; R87-M108 HydrophobicContact CG-SD 4.19Å; F105-M108 HydrophobicContact CB-CB 4.24Å; F105-M108 HydrophobicContact CB-CE 3.25Å; F105-M108 HydrophobicContact CB-CG 4.48Å; F105-M108 HydrophobicContact CD1-CE 3.68Å; F105-M108 HydrophobicContact CD2-CE 3.41Å; F105-M108 VanDerWaalsContact CD2-CE 3.41Å; F105-M108 HydrophobicContact CE1-CE 4.33Å; F105-M108 HydrophobicContact CE2-CE 4.07Å; F105-M108 HydrophobicContact CG-CE 3.16Å; F105-M108 PolarHBondContact O-N 2.98Å; P106-M108 VanDerWaalsContact C-N 3.29Å; P106-M108 PolarHBondContact O-N 3.32Å; M108-A110 PolarHBondContact O-N 3.18Å; M108-A111 PolarHBondContact O-N 3.01Å; M108-L112 WeakPolarHBondContact O-CG 3.46Å; M108-L112 PolarHBondContact O-N 3.36Å; M108-L112 VanDerWaalsContact O-N 3.13Å |
| 109 | A | 79.4 | Confident | 83.4 | Confident | 31 Ų | 31 | 66 Ų | 66 | 26% | 0.256 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -38.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | L103 F105 P106 | L103-A109 HydrophobicContact CD1-CB 3.54Å; F105-A109 PolarHBondContact O-N 3.14Å; P106-A109 VanDerWaalsContact O-CB 3.22Å; P106-A109 WeakPolarHBondContact O-CB 3.31Å; P106-A109 PolarHBondContact O-N 3.35Å |
| 110 | A | 77.8 | Confident | 83.9 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 80% | 0.802 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -27.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M108 | M108-A110 PolarHBondContact O-N 3.18Š|
| 111 | A | 80.4 | Confident | 84.5 | Confident | 60 Ų | 60 | 68.8 Ų | 68.8 | 50% | 0.496 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -16.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M108 M133 | M108-A111 PolarHBondContact O-N 3.01Å; A111-M133 HydrophobicContact CB-CE 3.61Å; A111-M133 WeakPolarHBondContact O-CE 3.49Å |
| 112 | L | 79.1 | Confident | 84.8 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.037 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -64.6 | 136.4 | -177.1 | -69.5 | 172.7 | 0 | 0 | 0 | 112 | D90 A91 L94 M108 R114 A130 M133 | D90-L112 HydrophobicContact CB-CD1 3.73Å; A91-L112 HydrophobicContact CB-CD2 4.45Å; L94-L112 HydrophobicContact CD1-CB 4.08Å; L94-L112 HydrophobicContact CD1-CD1 3.86Å; M108-L112 WeakPolarHBondContact O-CG 3.46Å; M108-L112 PolarHBondContact O-N 3.36Å; M108-L112 VanDerWaalsContact O-N 3.13Å; L112-R114 PolarHBondContact O-N 3.39Å; L112-A130 HydrophobicContact CD2-CB 3.59Å; L112-M133 HydrophobicContact CD2-SD 4.32Å |
| 113 | P | 77.9 | Confident | 85 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 22% | 0.221 | 39% | 0.387 | C | S | . | . | trans | -64.5 | 119.5 | 175 | 27.4 | -34.2 | 0 | 0 | 0 | 109.5 | P115 A126 R129 A130 | P113-P115 WeakPolarHBondContact O-CD 3.37Å; P113-A126 HydrophobicContact CG-CB 4.36Å; P113-A126 WeakPolarHBondContact CG-O 3.43Å; P113-R129 HydrophobicContact CB-CB 4.47Å; P113-R129 HydrophobicContact CG-CB 3.79Å; P113-A130 HydrophobicContact CG-CB 4.25Å | ||
| 114 | R | 78.4 | Confident | 85.2 | Confident | 206 Ų | 206 | 68.7 Ų | 68.7 | 78% | 0.777 | 40% | 0.396 | S | S | * | . | trans | -91.5 | 112.2 | 174.6 | -71.2 | -176.6 | -77.7 | 173.2 | -3.8 | 108.9 | L112 | L112-R114 PolarHBondContact O-N 3.39Š| ||
| 115 | P | 78 | Confident | 85.3 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 17% | 0.169 | 41% | 0.407 | C | S | . | . | trans | -68.1 | 143.8 | 172.1 | 29.3 | -33.1 | 0 | 0 | 0 | 109.6 | V95 P113 T117 D122 A126 | V95-P115 HydrophobicContact CB-CG 4.26Å; V95-P115 HydrophobicContact CG1-CG 4.14Å; V95-P115 HydrophobicContact CG2-CG 3.14Å; P113-P115 WeakPolarHBondContact O-CD 3.37Å; P115-T117 VanDerWaalsContact C-N 3.26Å; P115-T117 PolarHBondContact O-N 3.24Å; P115-D122 HydrophobicContact CB-CB 3.91Å; P115-A126 HydrophobicContact CB-CB 4.08Å; P115-A126 HydrophobicContact CG-CB 3.82Å | ||
| 116 | A | 75.7 | Confident | 85.5 | Confident | 109 Ų | 109 | 68.4 Ų | 68.4 | 90% | 0.901 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -69.2 | -26 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 117 | T | 86.7 | Confident | 85.9 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 41% | 0.405 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -124.3 | 157.1 | -178.7 | 91.5 | 0 | 0 | 0 | 0 | 112.3 | P115 A119 D122 | P115-T117 VanDerWaalsContact C-N 3.26Å; P115-T117 PolarHBondContact O-N 3.24Å; T117-A119 PolarHBondContact O-N 3.09Å; T117-A119 VanDerWaalsContact OG1-CB 3.27Å; T117-A119 WeakPolarHBondContact OG1-CB 3.48Å; T117-A119 PolarHBondContact OG1-N 3.08Å; T117-A119 VanDerWaalsContact OG1-N 3.16Å; T117-D122 PolarHBondContact OG1-OD2 2.8Å |
| 118 | A | 86.4 | Confident | 86.2 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 39% | 0.388 | 37% | 0.37 | S | S | . | . | trans | -86.4 | 21.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V95 | V95-A118 HydrophobicContact CG1-CB 4.03Š| ||
| 119 | A | 90.5 | Very high | 86.8 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | trans | -69.3 | 139.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T117 R121 D122 V123 | T117-A119 PolarHBondContact O-N 3.09Å; T117-A119 VanDerWaalsContact OG1-CB 3.27Å; T117-A119 WeakPolarHBondContact OG1-CB 3.48Å; T117-A119 PolarHBondContact OG1-N 3.08Å; T117-A119 VanDerWaalsContact OG1-N 3.16Å; A119-R121 PolarHBondContact O-N 3.1Å; A119-R121 VanDerWaalsContact O-N 3.15Å; A119-D122 PolarHBondContact O-N 3.06Å; A119-D122 VanDerWaalsContact O-N 3.13Å; A119-V123 WeakPolarHBondContact O-CG2 3.33Å; A119-V123 PolarHBondContact O-N 2.86Å | ||
| 120 | P | 91.9 | Very high | 87.4 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -54.2 | -37.2 | -178.4 | -29 | 35.6 | 0 | 0 | 0 | 114.3 | I74 Q124 | I74-P120 HydrophobicContact CD1-CG 4.43Å; I74-P120 HydrophobicContact CG1-CG 4.47Å; I74-P120 HydrophobicContact CG2-CB 4.19Å; P120-Q124 WeakPolarHBondContact O-CB 3.2Å; P120-Q124 WeakPolarHBondContact O-CG 3.22Å; P120-Q124 PolarHBondContact O-N 3.44Å |
| 121 | R | 93.5 | Very high | 88.1 | Confident | 207 Ų | 207 | 63.2 Ų | 63.2 | 78% | 0.781 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | 178.6 | -71.8 | -174.4 | 175 | 177.4 | -1.2 | 112.2 | A119 V123 Q124 A125 | A119-R121 PolarHBondContact O-N 3.1Å; A119-R121 VanDerWaalsContact O-N 3.15Å; R121-V123 VanDerWaalsContact C-N 3.35Å; R121-Q124 PolarHBondContact O-N 3.43Å; R121-A125 WeakPolarHBondContact O-CB 3.34Å; R121-A125 PolarHBondContact O-N 3.24Å |
| 122 | D | 93.4 | Very high | 88.5 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -39.4 | -179.9 | -63.8 | -7.2 | 0 | 0 | 0 | 111.1 | P115 T117 A119 Q124 A125 A126 | P115-D122 HydrophobicContact CB-CB 3.91Å; T117-D122 PolarHBondContact OG1-OD2 2.8Å; A119-D122 PolarHBondContact O-N 3.06Å; A119-D122 VanDerWaalsContact O-N 3.13Å; D122-Q124 VanDerWaalsContact C-N 3.35Å; D122-A125 PolarHBondContact O-N 3.43Å; D122-A126 WeakPolarHBondContact O-CB 3.39Å; D122-A126 PolarHBondContact O-N 3.47Å |
| 123 | V | 92.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 174.4 | 175.6 | 0 | 0 | 0 | 0 | 111 | L76 A92 V95 A119 R121 A127 | L76-V123 HydrophobicContact CD2-CG1 3.57Å; A92-V123 HydrophobicContact CB-CG1 3.59Å; V95-V123 HydrophobicContact CB-CG2 4.37Å; V95-V123 HydrophobicContact CG1-CG2 3.95Å; A119-V123 WeakPolarHBondContact O-CG2 3.33Å; A119-V123 PolarHBondContact O-N 2.86Å; R121-V123 VanDerWaalsContact C-N 3.35Å; V123-A127 WeakPolarHBondContact O-CB 3.1Å; V123-A127 PolarHBondContact O-N 3.47Å |
| 124 | Q | 94.4 | Very high | 88.2 | Confident | 68 Ų | 68 | 71 Ų | 71 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 174.7 | -76.3 | 168.3 | -3.1 | 0 | 0 | 111.9 | W75 P120 R121 D122 A126 A127 V128 | W75-Q124 WeakPolarHBondContact O-CG 3.48Å; W75-Q124 PolarHBondContact O-NE2 2.94Å; P120-Q124 WeakPolarHBondContact O-CB 3.2Å; P120-Q124 WeakPolarHBondContact O-CG 3.22Å; P120-Q124 PolarHBondContact O-N 3.44Å; R121-Q124 PolarHBondContact O-N 3.43Å; D122-Q124 VanDerWaalsContact C-N 3.35Å; Q124-A126 VanDerWaalsContact C-N 3.34Å; Q124-A126 PolarHBondContact O-N 3.27Å; Q124-A127 WeakPolarHBondContact O-CB 3.35Å; Q124-A127 PolarHBondContact O-N 3.46Å; Q124-A127 VanDerWaalsContact O-N 3.16Å; Q124-V128 WeakPolarHBondContact O-CG2 3.39Å; Q124-V128 PolarHBondContact O-N 3.16Å |
| 125 | A | 93.6 | Very high | 87.4 | Confident | 50 Ų | 50 | 64.6 Ų | 64.6 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | R121 D122 V128 R129 | R121-A125 WeakPolarHBondContact O-CB 3.34Å; R121-A125 PolarHBondContact O-N 3.24Å; D122-A125 PolarHBondContact O-N 3.43Å; A125-V128 PolarHBondContact O-N 2.9Å; A125-R129 WeakPolarHBondContact O-CG 3.4Å; A125-R129 PolarHBondContact O-N 3.3Å |
| 126 | A | 93.1 | Very high | 86.1 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 5% | 0.05 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P113 P115 D122 Q124 V128 R129 A130 | P113-A126 HydrophobicContact CG-CB 4.36Å; P113-A126 WeakPolarHBondContact CG-O 3.43Å; P115-A126 HydrophobicContact CB-CB 4.08Å; P115-A126 HydrophobicContact CG-CB 3.82Å; D122-A126 WeakPolarHBondContact O-CB 3.39Å; D122-A126 PolarHBondContact O-N 3.47Å; Q124-A126 VanDerWaalsContact C-N 3.34Å; Q124-A126 PolarHBondContact O-N 3.27Å; A126-V128 PolarHBondContact O-N 3.43Å; A126-R129 PolarHBondContact O-N 2.87Å; A126-A130 WeakPolarHBondContact O-CB 3.4Å; A126-A130 PolarHBondContact O-N 3.07Å |
| 127 | A | 93.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L76 A88 V123 Q124 A130 A131 | L76-A127 HydrophobicContact CB-CB 4.2Å; L76-A127 HydrophobicContact CD2-CB 4.33Å; A88-A127 HydrophobicContact CB-CB 4Å; V123-A127 WeakPolarHBondContact O-CB 3.1Å; V123-A127 PolarHBondContact O-N 3.47Å; Q124-A127 WeakPolarHBondContact O-CB 3.35Å; Q124-A127 PolarHBondContact O-N 3.46Å; Q124-A127 VanDerWaalsContact O-N 3.16Å; A127-A130 PolarHBondContact O-N 3.45Å; A127-A131 WeakPolarHBondContact O-CB 3.5Å; A127-A131 PolarHBondContact O-N 3.09Å |
| 128 | V | 93.2 | Very high | 83.1 | Confident | 84 Ų | 84 | 76.4 Ų | 76.4 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 175.2 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | Q124 A125 A126 A130 A131 A132 | Q124-V128 WeakPolarHBondContact O-CG2 3.39Å; Q124-V128 PolarHBondContact O-N 3.16Å; A125-V128 PolarHBondContact O-N 2.9Å; A126-V128 PolarHBondContact O-N 3.43Å; V128-A130 PolarHBondContact O-N 3.18Å; V128-A131 WeakPolarHBondContact O-CB 3.22Å; V128-A131 PolarHBondContact O-N 3.04Å; V128-A132 PolarHBondContact O-N 3.37Å; V128-A132 VanDerWaalsContact O-N 3.14Å |
| 129 | R | 92.7 | Very high | 81.2 | Confident | 181 Ų | 181 | 82.3 Ų | 82.3 | 68% | 0.683 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.8 | -45.2 | 175.3 | -73.3 | 178.3 | -179.3 | -175.7 | 0.4 | 111.6 | P113 A125 A126 A131 A132 M133 | P113-R129 HydrophobicContact CB-CB 4.47Å; P113-R129 HydrophobicContact CG-CB 3.79Å; A125-R129 WeakPolarHBondContact O-CG 3.4Å; A125-R129 PolarHBondContact O-N 3.3Å; A126-R129 PolarHBondContact O-N 2.87Å; R129-A131 VanDerWaalsContact C-N 3.33Å; R129-A131 PolarHBondContact O-N 2.89Å; R129-A132 PolarHBondContact O-N 3.3Å; R129-A132 VanDerWaalsContact O-N 3.17Å; R129-M133 WeakPolarHBondContact O-CG 2.95Å; R129-M133 PolarHBondContact O-N 3.06Å |
| 130 | A | 92.2 | Very high | 79 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | R87 A91 L112 P113 A126 A127 V128 A132 M133 | R87-A130 WeakPolarHBondContact CD-O 3.22Å; R87-A130 PolarHBondContact NE-O 3.48Å; R87-A130 VanDerWaalsContact NE-O 3.17Å; A91-A130 HydrophobicContact CB-CB 3.59Å; L112-A130 HydrophobicContact CD2-CB 3.59Å; P113-A130 HydrophobicContact CG-CB 4.25Å; A126-A130 WeakPolarHBondContact O-CB 3.4Å; A126-A130 PolarHBondContact O-N 3.07Å; A127-A130 PolarHBondContact O-N 3.45Å; V128-A130 PolarHBondContact O-N 3.18Å; A130-A132 PolarHBondContact O-N 3.35Å; A130-M133 WeakPolarHBondContact O-CB 3.09Å; A130-M133 PolarHBondContact O-N 2.96Å |
| 131 | A | 92.6 | Very high | 76.8 | Confident | 2 Ų | 2 | 86.5 Ų | 86.5 | 2% | 0.017 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63.6 | -31.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | F79 M84 R87 A88 A127 V128 R129 M133 | F79-A131 HydrophobicContact CD1-CB 3.78Å; F79-A131 HydrophobicContact CE1-CB 3.27Å; F79-A131 HydrophobicContact CZ-CB 3.92Å; M84-A131 HydrophobicContact CB-CB 4.4Å; M84-A131 HydrophobicContact CE-CB 4.3Å; M84-A131 WeakPolarHBondContact CE-O 3.14Å; R87-A131 PolarHBondContact NH2-O 2.95Å; A88-A131 HydrophobicContact CB-CB 4.32Å; A127-A131 WeakPolarHBondContact O-CB 3.5Å; A127-A131 PolarHBondContact O-N 3.09Å; V128-A131 WeakPolarHBondContact O-CB 3.22Å; V128-A131 PolarHBondContact O-N 3.04Å; R129-A131 VanDerWaalsContact C-N 3.33Å; R129-A131 PolarHBondContact O-N 2.89Å; A131-M133 VanDerWaalsContact C-N 3.32Å |
| 132 | A | 88.8 | Confident | 74.4 | Confident | 72 Ų | 72 | 83.3 Ų | 83.3 | 60% | 0.595 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -10.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V128 R129 A130 E134 | V128-A132 PolarHBondContact O-N 3.37Å; V128-A132 VanDerWaalsContact O-N 3.14Å; R129-A132 PolarHBondContact O-N 3.3Å; R129-A132 VanDerWaalsContact O-N 3.17Å; A130-A132 PolarHBondContact O-N 3.35Å; A132-E134 PolarHBondContact O-N 3.04Å; A132-E134 VanDerWaalsContact O-N 3.08Å |
| 133 | M | 83.2 | Confident | 72.3 | Confident | 62 Ų | 62 | 84.7 Ų | 84.7 | 31% | 0.305 | 50% | 0.497 | S | S | . | . | trans | -77.9 | 91 | -179.9 | -64.6 | 174.9 | 74.8 | 0 | 0 | 110.9 | R87 A111 L112 R129 A130 A131 | R87-M133 WeakPolarHBondContact CD-O 3.4Å; R87-M133 PolarHBondContact NE-O 3.05Å; R87-M133 PolarHBondContact NH1-O 2.79Å; R87-M133 PolarHBondContact NH2-O 3.09Å; A111-M133 HydrophobicContact CB-CE 3.61Å; A111-M133 WeakPolarHBondContact O-CE 3.49Å; L112-M133 HydrophobicContact CD2-SD 4.32Å; R129-M133 WeakPolarHBondContact O-CG 2.95Å; R129-M133 PolarHBondContact O-N 3.06Å; A130-M133 WeakPolarHBondContact O-CB 3.09Å; A130-M133 PolarHBondContact O-N 2.96Å; A131-M133 VanDerWaalsContact C-N 3.32Å | ||
| 134 | E | 67.9 | Low | 70.1 | Confident | 131 Ų | 131 | 91 Ų | 91 | 61% | 0.612 | 54% | 0.538 | S | S | * | . | trans | -54.1 | 137.7 | 178.1 | -73.8 | -63.2 | 98.2 | 0 | 0 | 112.4 | R87 A132 S136 | R87-E134 IonicContact NH2-OE1 3.21Å; R87-E134 PolarHBondContact NH2-OE1 3.06Å; A132-E134 PolarHBondContact O-N 3.04Å; A132-E134 VanDerWaalsContact O-N 3.08Å; E134-S136 PolarHBondContact O-N 3.34Å | ||
| 135 | P | 61 | Low | 68.2 | Low | 70 Ų | 70 | 94.6 Ų | 94.6 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | trans | -81.8 | 53.6 | 173.9 | 31.5 | -11.9 | 0 | 0 | 0 | 107.2 | R87 M137 | R87-P135 VanDerWaalsContact NH1-CG 3.34Å; P135-M137 PolarHBondContact O-N 3.17Å | ||
| 136 | S | 51.9 | Low | 66.2 | Low | 101 Ų | 101 | 98.4 Ų | 98.4 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 40.5 | -170.5 | -175 | 0 | 0 | 0 | 0 | 112.1 | E134 | E134-S136 PolarHBondContact O-N 3.34Š|
| 137 | M | 50 | Low | 63.9 | Low | 183 Ų | 183 | 108.9 Ų | 108.9 | 90% | 0.901 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 4.5 | 174.1 | -71.6 | -142.9 | 167.4 | 0 | 0 | 114.8 | P135 | P135-M137 PolarHBondContact O-N 3.17Š|
| 138 | M | 49.1 | Very low | 61.8 | Low | 166 Ų | 166 | 114.6 Ų | 114.6 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -129.4 | -11.3 | -173.9 | -69.7 | -67.5 | -79.2 | 0 | 0 | 118.3 | ||
| 139 | L | 46.8 | Very low | 59.4 | Low | 171 Ų | 171 | 114.9 Ų | 114.9 | 90% | 0.895 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -146.7 | 132.3 | 172.3 | -83 | 107.7 | 0 | 0 | 0 | 111.9 | ||
| 140 | G | 43.1 | Very low | 57.2 | Low | 64 Ų | 64 | 114.5 Ų | 114.5 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | trans | -64.9 | 172.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116 | T142 | G140-T142 PolarHBondContact O-N 2.9Š| ||
| 141 | P | 45.1 | Very low | 54.9 | Low | 133 Ų | 133 | 119.1 Ų | 119.1 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -84.1 | 101.4 | -163.9 | 33.2 | -32.2 | 0 | 0 | 0 | 111.7 | ||||
| 142 | T | 44.6 | Very low | 52.3 | Low | 139 Ų | 139 | 125.2 Ų | 125.2 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -141 | 86.3 | 163.7 | 58.1 | 0 | 0 | 0 | 0 | 111 | G140 | G140-T142 PolarHBondContact O-N 2.9Š| ||
| 143 | A | 49 | Very low | 50.3 | Low | 96 Ų | 96 | 127.7 Ų | 127.7 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | 166.9 | 122.4 | 135.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 144 | P | 47.4 | Very low | 47.9 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -85.7 | 149.8 | 173.8 | 33.4 | -29.8 | 0 | 0 | 0 | 112.9 | ||||
| 145 | L | 53.4 | Low | 46.4 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -62.1 | 166.8 | -177.6 | -56 | 158.2 | 0 | 0 | 0 | 114.6 | R147 | L145-R147 HydrophobicContact CB-CG 4.47Å; L145-R147 HydrophobicContact CD1-CG 4.16Å | ||
| 146 | P | 51.7 | Low | 45.3 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -94.7 | 110 | 130.4 | 31.3 | -23.2 | 0 | 0 | 0 | 108.9 | S148 | P146-S148 PolarHBondContact O-N 3.29Š| ||
| 147 | R | 45.2 | Very low | 45 | Very low | 227 Ų | 227 | 138.1 Ų | 138.1 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | -62 | 120.4 | 167.9 | -74.9 | 167.5 | 158.1 | -167.6 | -5.7 | 109.5 | L145 | L145-R147 HydrophobicContact CB-CG 4.47Å; L145-R147 HydrophobicContact CD1-CG 4.16Å | ||
| 148 | S | 48.8 | Very low | 44.4 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -130.7 | 107.8 | 149.5 | -74.5 | 0 | 0 | 0 | 0 | 107.9 | P146 | P146-S148 PolarHBondContact O-N 3.29Š| ||
| 149 | A | 44.2 | Very low | 44.3 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 59.1 | 115.2 | 159 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 150 | L | 44.4 | Very low | 44.2 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | cis | -152 | 155.7 | 36.1 | -93.7 | 91 | 0 | 0 | 0 | 109.5 | ||||
| 151 | A | 44.6 | Very low | 44.5 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -61 | 162.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 152 | P | 38.4 | Very low | 44.6 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -89.5 | 143.1 | -171.2 | 35.6 | -29.1 | 0 | 0 | 0 | 111.4 | ||||
| 153 | V | 45.9 | Very low | 44.7 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -127.1 | 123.3 | 160.4 | 70.1 | 0 | 0 | 0 | 0 | 109.5 | G155 | V153-G155 PolarHBondContact O-N 3.04Š| ||
| 154 | K | 32.9 | Very low | 44.9 | Very low | 210 Ų | 210 | 141.4 Ų | 141.4 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -59.3 | 127.4 | 172 | -76.6 | 171.6 | 169.8 | 179.6 | 0 | 108.6 | ||||
| 155 | G | 36.4 | Very low | 45.3 | Very low | 70 Ų | 70 | 142.8 Ų | 142.8 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -132.1 | 66.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | V153 V157 | V153-G155 PolarHBondContact O-N 3.04Å; G155-V157 PolarHBondContact O-N 3.42Å | ||
| 156 | Q | 38.3 | Very low | 45.6 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -67.3 | 92.9 | 159.8 | -170.2 | 177.1 | -63.1 | 0 | 0 | 104.8 | H158 | Q156-H158 PolarHBondContact O-N 2.93Š| ||
| 157 | V | 45.3 | Very low | 45.9 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -70.6 | 83 | 159.9 | -177.2 | 0 | 0 | 0 | 0 | 104.8 | G155 | G155-V157 PolarHBondContact O-N 3.42Š| ||
| 158 | H | 37 | Very low | 46.6 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 57% | 0.569 | 79% | 0.79 | S | S | * | * | -59.2 | 134.3 | 129 | -141.9 | 75.4 | 0 | 0 | 0 | 104.3 | Q156 D160 | Q156-H158 PolarHBondContact O-N 2.93Å; H158-D160 PolarHBondContact O-N 3.21Å; H158-D160 VanDerWaalsContact O-N 3.15Å; H158-D160 VanDerWaalsContact O-O 3.1Å | |||
| 159 | D | 47.2 | Very low | 47.4 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -51.4 | 121.6 | 157 | -16.8 | -78.7 | 0 | 0 | 0 | 104 | ||
| 160 | D | 44.6 | Very low | 47.9 | Very low | 141 Ų | 141 | 139 Ų | 139 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 103.5 | 130.2 | -167.2 | -47.7 | -45.6 | 0 | 0 | 0 | 114.6 | H158 | H158-D160 PolarHBondContact O-N 3.21Å; H158-D160 VanDerWaalsContact O-N 3.15Å; H158-D160 VanDerWaalsContact O-O 3.1Å |
| 161 | E | 50.9 | Low | 48.2 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | 96.8 | 64.9 | 167.8 | -141.6 | 173.5 | 127.9 | 0 | 0 | 118.4 | E163 | E161-E163 PolarHBondContact O-N 2.93Š| ||
| 162 | L | 47.1 | Very low | 48 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | trans | -82.2 | 69.6 | 161.3 | -71.1 | 170.8 | 0 | 0 | 0 | 111.2 | ||||
| 163 | E | 47.2 | Very low | 48.5 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -156.6 | 80.1 | 178 | -108.1 | 165.7 | -129 | 0 | 0 | 112.7 | E161 | E161-E163 PolarHBondContact O-N 2.93Š| ||
| 164 | A | 51.1 | Low | 48.8 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -153.3 | 69.7 | 164 | 0 | 0 | 0 | 0 | 0 | 110 | V166 | A164-V166 PolarHBondContact O-N 3.15Š| ||
| 165 | I | 56.8 | Low | 49.4 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | trans | -65.3 | 120.2 | 165.7 | -62.9 | 166.7 | 0 | 0 | 0 | 106.3 | E167 | I165-E167 VanDerWaalsContact C-N 3.26Å; I165-E167 PolarHBondContact O-N 3.39Å | ||
| 166 | V | 60.6 | Low | 49.8 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | trans | -68.7 | 95.9 | 162.9 | 173.9 | 0 | 0 | 0 | 0 | 106 | A164 L168 | A164-V166 PolarHBondContact O-N 3.15Å; V166-L168 PolarHBondContact O-N 3.34Å; V166-L168 VanDerWaalsContact O-N 3.09Å | ||
| 167 | E | 57.1 | Low | 50.3 | Low | 175 Ų | 175 | 143.1 Ų | 143.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -61.1 | 106.1 | 172 | -168.5 | 171.8 | -178.3 | 0 | 0 | 107.8 | I165 | I165-E167 VanDerWaalsContact C-N 3.26Å; I165-E167 PolarHBondContact O-N 3.39Å | ||
| 168 | L | 60.5 | Low | 50.7 | Low | 142 Ų | 142 | 145.1 Ų | 145.1 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 143.2 | 169.9 | -73.1 | 171.5 | 0 | 0 | 0 | 108.2 | V166 | V166-L168 PolarHBondContact O-N 3.34Å; V166-L168 VanDerWaalsContact O-N 3.09Å |
| 169 | P | 64.2 | Low | 50.9 | Low | 100 Ų | 100 | 146.5 Ų | 146.5 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54 | 136.7 | 176 | 24.2 | -33.3 | 0 | 0 | 0 | 109.1 | L171 | P169-L171 PolarHBondContact O-N 2.89Š|
| 170 | P | 56.1 | Low | 51.2 | Low | 94 Ų | 94 | 147.1 Ų | 147.1 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127 | 173.8 | 24.2 | -31.7 | 0 | 0 | 0 | 108.1 | D172 | P170-D172 VanDerWaalsContact CB-OD1 3.22Å; P170-D172 WeakPolarHBondContact CB-OD1 3.32Å; P170-D172 WeakPolarHBondContact CG-OD1 3.27Å; P170-D172 PolarHBondContact O-N 3.49Å |
| 171 | L | 51.1 | Low | 51 | Low | 180 Ų | 180 | 145.3 Ų | 145.3 | 94% | 0.942 | 78% | 0.778 | S | S | * | * | trans | -77.9 | 71.6 | 167 | -71.2 | 174.1 | 0 | 0 | 0 | 106.7 | P169 | P169-L171 PolarHBondContact O-N 2.89Š| ||
| 172 | D | 40.3 | Very low | 51 | Low | 112 Ų | 112 | 145.2 Ų | 145.2 | 60% | 0.599 | 78% | 0.783 | S | S | * | * | trans | -69.5 | 127.7 | 160 | 20.6 | -91.9 | 0 | 0 | 0 | 108.7 | P170 | P170-D172 VanDerWaalsContact CB-OD1 3.22Å; P170-D172 WeakPolarHBondContact CB-OD1 3.32Å; P170-D172 WeakPolarHBondContact CG-OD1 3.27Å; P170-D172 PolarHBondContact O-N 3.49Å | ||
| 173 | E | 48.2 | Very low | 51 | Low | 168 Ų | 168 | 139.8 Ų | 139.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 80.3 | 130.9 | 150.9 | -41 | -100.7 | 91.4 | 0 | 0 | 115.9 | ||
| 174 | D | 51 | Low | 50.9 | Low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 80.9 | 72.8 | 162.7 | -49.9 | -48.7 | 0 | 0 | 0 | 119.6 | ||||
| 175 | F | 46.1 | Very low | 51 | Low | 204 Ų | 204 | 138 Ų | 138 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -145.5 | 64.3 | 130.9 | -123.3 | -86.7 | 0 | 0 | 0 | 109.9 | ||||
| 176 | S | 45.7 | Very low | 50.9 | Low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | trans | -50.6 | 141.3 | 153.4 | 16.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 177 | E | 49.2 | Very low | 50.3 | Low | 171 Ų | 171 | 139.4 Ų | 139.4 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | 88.4 | 83.4 | -175.8 | -51.5 | -155.8 | 151.7 | 0 | 0 | 115.2 | ||||
| 178 | L | 52.9 | Low | 50.3 | Low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | -173.7 | 91.8 | 107.1 | -90.1 | 171.3 | 0 | 0 | 0 | 109.5 | |||||
| 179 | L | 41.1 | Very low | 49.6 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | -66.1 | 121.6 | 173.2 | 173.2 | 69.5 | 0 | 0 | 0 | 111.6 | P181 | L179-P181 HydrophobicContact CD1-CG 4.24Š| ||
| 180 | V | 53.1 | Low | 49.1 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -149.2 | 112.1 | 146.8 | -118.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 181 | P | 40.7 | Very low | 48.5 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | trans | -101 | 117.4 | -177.6 | 34.9 | -26 | 0 | 0 | 0 | 111 | L179 | L179-P181 HydrophobicContact CD1-CG 4.24Š| ||
| 182 | L | 50.7 | Low | 48.7 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | trans | -165.5 | 125.5 | 161.8 | -150.2 | 77 | 0 | 0 | 0 | 106.8 | ||||
| 183 | G | 48 | Very low | 49.2 | Very low | 62 Ų | 62 | 137.1 Ų | 137.1 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | cis | -177.4 | 150 | 1 | 0 | 0 | 0 | 0 | 0 | 103.6 | A185 | G183-A185 PolarHBondContact O-N 2.81Å; G183-A185 VanDerWaalsContact O-N 3.09Å | ||
| 184 | T | 43.8 | Very low | 48.9 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | trans | -46.7 | 110 | -179.9 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 185 | A | 54.2 | Low | 48.5 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | trans | -131.1 | 103.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109 | G183 F187 | G183-A185 PolarHBondContact O-N 2.81Å; G183-A185 VanDerWaalsContact O-N 3.09Å; A185-F187 PolarHBondContact O-N 3.38Å; A185-F187 VanDerWaalsContact O-N 3.1Å | ||
| 186 | S | 53.5 | Low | 48.7 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -53.1 | 106.2 | 168 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | S188 | S186-S188 PolarHBondContact O-N 3.16Å; S186-S188 VanDerWaalsContact O-N 3.15Å | ||
| 187 | F | 48.7 | Very low | 49 | Very low | 200 Ų | 200 | 138 Ų | 138 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -80.6 | 92.5 | 169.8 | -95.9 | -90.6 | 0 | 0 | 0 | 109.1 | A185 F189 | A185-F187 PolarHBondContact O-N 3.38Å; A185-F187 VanDerWaalsContact O-N 3.1Å; F187-F189 PolarHBondContact O-N 3.13Å | ||
| 188 | S | 57.2 | Low | 49.1 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 56% | 0.559 | 78% | 0.775 | S | S | * | * | trans | -70.2 | 117.6 | 166.5 | -62.3 | 0 | 0 | 0 | 0 | 109.5 | S186 H190 | S186-S188 PolarHBondContact O-N 3.16Å; S186-S188 VanDerWaalsContact O-N 3.15Å; S188-H190 PolarHBondContact O-N 2.57Å; S188-H190 VanDerWaalsContact O-N 3.14Å; S188-H190 PolarHBondContact O-ND1 2.89Å; S188-H190 VanDerWaalsContact O-ND1 3.15Å | ||
| 189 | F | 46.6 | Very low | 49.3 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -58.6 | 109.1 | 170.4 | -177.4 | -97.6 | 0 | 0 | 0 | 109.4 | F187 D191 | F187-F189 PolarHBondContact O-N 3.13Å; F189-D191 PolarHBondContact O-N 3.15Å | ||
| 190 | H | 53.2 | Low | 50.2 | Low | 165 Ų | 165 | 137.5 Ų | 137.5 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -83.7 | 108.7 | 172.7 | -80 | 72.4 | 0 | 0 | 0 | 109 | S188 A192 | S188-H190 PolarHBondContact O-N 2.57Å; S188-H190 VanDerWaalsContact O-N 3.14Å; S188-H190 PolarHBondContact O-ND1 2.89Å; S188-H190 VanDerWaalsContact O-ND1 3.15Å; H190-A192 PolarHBondContact O-N 3.23Å | ||
| 191 | D | 43.4 | Very low | 50.2 | Low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | trans | -59.6 | 110.2 | 159.4 | -178.8 | 66.2 | 0 | 0 | 0 | 108.5 | F189 | F189-D191 PolarHBondContact O-N 3.15Š| ||
| 192 | A | 54.9 | Low | 51.3 | Low | 90 Ų | 90 | 143.7 Ų | 143.7 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -107.3 | 70.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | H190 | H190-A192 PolarHBondContact O-N 3.23Š| ||
| 193 | T | 50.3 | Low | 51.5 | Low | 105 Ų | 105 | 140.9 Ų | 140.9 | 64% | 0.644 | 75% | 0.754 | S | S | * | * | trans | -66.9 | 129.4 | 154.6 | 58.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 194 | Q | 42 | Very low | 51.7 | Low | 195 Ų | 195 | 144.8 Ų | 144.8 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | trans | 96.5 | 71.8 | -177.6 | -59.4 | -177.1 | 51.1 | 0 | 0 | 115.8 | ||||
| 195 | A | 43.4 | Very low | 52.4 | Low | 81 Ų | 81 | 144.3 Ų | 144.3 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -110.1 | 97.7 | 141.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | W197 | A195-W197 PolarHBondContact O-N 2.99Š| ||
| 196 | S | 50.3 | Low | 52.3 | Low | 95 Ų | 95 | 147.5 Ų | 147.5 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | -55.4 | 112.7 | 165.1 | 58.6 | 0 | 0 | 0 | 0 | 106.9 | R198 | S196-R198 PolarHBondContact O-N 2.88Š| ||
| 197 | W | 52.5 | Low | 52.3 | Low | 249 Ų | 249 | 146.5 Ų | 146.5 | 94% | 0.943 | 75% | 0.752 | S | S | * | * | trans | -62.1 | 75.6 | 159.4 | -58.8 | 87.9 | 0 | 0 | 0 | 106.4 | A195 D199 | A195-W197 PolarHBondContact O-N 2.99Å; W197-D199 PolarHBondContact O-N 2.9Å | ||
| 198 | R | 50.4 | Low | 52 | Low | 222 Ų | 222 | 140.9 Ų | 140.9 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -63.4 | 121.3 | 168.4 | -85.6 | -153.7 | -174.5 | 176.3 | 2.7 | 105.6 | S196 | S196-R198 PolarHBondContact O-N 2.88Š| ||
| 199 | D | 57.1 | Low | 51.7 | Low | 142 Ų | 142 | 146.9 Ų | 146.9 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -39 | 137.2 | 171.9 | -73.1 | -75.7 | 0 | 0 | 0 | 111.7 | W197 E201 | W197-D199 PolarHBondContact O-N 2.9Å; D199-E201 VanDerWaalsContact C-N 3.27Å; D199-E201 PolarHBondContact O-N 3.05Å | ||
| 200 | P | 60.7 | Low | 52 | Low | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | -65.3 | 98.2 | 159 | 26.7 | -27.5 | 0 | 0 | 0 | 107.4 | W202 | P200-W202 VanDerWaalsContact C-N 3.27Å; P200-W202 PolarHBondContact O-N 3.24Å | ||
| 201 | E | 53.5 | Low | 51.8 | Low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -57.8 | 90.5 | 166.1 | -163.7 | 178.4 | 175.1 | 0 | 0 | 107.5 | D199 I203 | D199-E201 VanDerWaalsContact C-N 3.27Å; D199-E201 PolarHBondContact O-N 3.05Å; E201-I203 PolarHBondContact O-N 3.43Å | ||
| 202 | W | 62.1 | Low | 52.3 | Low | 199 Ų | 199 | 140 Ų | 140 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | -70.2 | 89.1 | 165.7 | 52 | -82.6 | 0 | 0 | 0 | 106.2 | P200 D204 | P200-W202 VanDerWaalsContact C-N 3.27Å; P200-W202 PolarHBondContact O-N 3.24Å; W202-D204 PolarHBondContact O-N 3.14Å | ||
| 203 | I | 56.8 | Low | 52.2 | Low | 125 Ų | 125 | 140.7 Ų | 140.7 | 64% | 0.641 | 77% | 0.766 | S | S | * | * | trans | -4.1 | 93.9 | 146.7 | -71.7 | 170 | 0 | 0 | 0 | 111.9 | E201 H205 | E201-I203 PolarHBondContact O-N 3.43Å; I203-H205 VanDerWaalsContact C-N 3.34Å; I203-H205 HydrophobicContact CG2-CB 3.93Å; I203-H205 WeakPolarHBondContact CG2-CD2 3.14Å; I203-H205 PolarHBondContact O-N 3.4Å; I203-H205 VanDerWaalsContact O-N 3.14Å | ||
| 204 | D | 52 | Low | 52.4 | Low | 143 Ų | 143 | 146.7 Ų | 146.7 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -67.1 | 94.7 | 156.1 | -98.3 | -51.6 | 0 | 0 | 0 | 106.6 | W202 | W202-D204 PolarHBondContact O-N 3.14Š| ||
| 205 | H | 56.6 | Low | 52.8 | Low | 143 Ų | 143 | 145.2 Ų | 145.2 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | trans | -118.7 | 130.9 | 168.9 | -93.8 | -117.3 | 0 | 0 | 0 | 109.5 | I203 | I203-H205 VanDerWaalsContact C-N 3.34Å; I203-H205 HydrophobicContact CG2-CB 3.93Å; I203-H205 WeakPolarHBondContact CG2-CD2 3.14Å; I203-H205 PolarHBondContact O-N 3.4Å; I203-H205 VanDerWaalsContact O-N 3.14Å | ||
| 206 | D | 52.2 | Low | 53.6 | Low | 143 Ų | 143 | 145.7 Ų | 145.7 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | 87.7 | 99.1 | 158.9 | -61.6 | -52.1 | 0 | 0 | 0 | 118.6 | ||||
| 207 | A | 55.2 | Low | 53.8 | Low | 91 Ų | 91 | 148.4 Ų | 148.4 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | 80.2 | 90.8 | 114.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 208 | G | 42.6 | Very low | 53.9 | Low | 82 Ų | 82 | 145.1 Ų | 145.1 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | 43.4 | 101.4 | 115.5 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 209 | Y | 50.2 | Low | 54 | Low | 206 Ų | 206 | 142.3 Ų | 142.3 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -141.2 | 106.3 | 145.9 | 178.1 | -103.3 | 0 | 0 | 0 | 109.3 | ||||
| 210 | M | 53.7 | Low | 53.6 | Low | 170 Ų | 170 | 145.2 Ų | 145.2 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | trans | -70.6 | 141.8 | 166.3 | -78.5 | -157.9 | -171.8 | 0 | 0 | 110.5 | ||||
| 211 | A | 48.4 | Very low | 53.1 | Low | 88 Ų | 88 | 143 Ų | 143 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 39.2 | 114.1 | 134.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 212 | A | 54.2 | Low | 53.1 | Low | 78 Ų | 78 | 143.7 Ų | 143.7 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | 173.6 | 106.8 | 112.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | R214 | A212-R214 PolarHBondContact O-N 3.15Š| |||
| 213 | A | 52 | Low | 52.7 | Low | 105 Ų | 105 | 137.6 Ų | 137.6 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 112.8 | 156 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 214 | R | 54.3 | Low | 53 | Low | 231 Ų | 231 | 136.8 Ų | 136.8 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -141 | 123.5 | 157.2 | -79.4 | -153.9 | 159.2 | 115.9 | 1.8 | 109.7 | A212 | A212-R214 PolarHBondContact O-N 3.15Š| ||
| 215 | D | 51.7 | Low | 53.3 | Low | 163 Ų | 163 | 137.9 Ų | 137.9 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -38.9 | 135.9 | 165.9 | -61 | -93.8 | 0 | 0 | 0 | 114.4 | ||||
| 216 | A | 58.4 | Low | 53.3 | Low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -175.7 | 97.4 | 146.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 217 | D | 54.9 | Low | 53.5 | Low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | 44.9 | 124.9 | 87.5 | -82.7 | -34.6 | 0 | 0 | 0 | 114.2 | |||||
| 218 | E | 55.1 | Low | 53.9 | Low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | 76 | 97.8 | 161.5 | -55 | -168.8 | 160.9 | 0 | 0 | 118.7 | ||||
| 219 | L | 51.6 | Low | 54.6 | Low | 164 Ų | 164 | 137.6 Ų | 137.6 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | -177.4 | 93.7 | 110.6 | -130.1 | 70.5 | 0 | 0 | 0 | 110.7 | G221 | L219-G221 PolarHBondContact O-N 3.1Š| |||
| 220 | F | 49.7 | Very low | 54.9 | Low | 202 Ų | 202 | 139.9 Ų | 139.9 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | trans | -69.9 | 107.2 | 159 | -93.5 | -92.9 | 0 | 0 | 0 | 108.3 | F222 | F220-F222 HydrophobicContact CD1-CD2 4.48Å; F220-F222 HydrophobicContact CD1-CE2 4.17Å | ||
| 221 | G | 50.4 | Low | 55.3 | Low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -119 | 90.1 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | L219 G223 | L219-G221 PolarHBondContact O-N 3.1Å; G221-G223 PolarHBondContact O-N 3.09Å | ||
| 222 | F | 53 | Low | 55.8 | Low | 191 Ų | 191 | 139.7 Ų | 139.7 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -64.8 | 119.1 | 164 | -90.3 | -95.7 | 0 | 0 | 0 | 109 | F220 | F220-F222 HydrophobicContact CD1-CD2 4.48Å; F220-F222 HydrophobicContact CD1-CE2 4.17Å | ||
| 223 | G | 54.2 | Low | 56.6 | Low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -116.6 | 118 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | G221 | G221-G223 PolarHBondContact O-N 3.09Š| ||
| 224 | P | 62 | Low | 57 | Low | 108 Ų | 108 | 146.1 Ų | 146.1 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -83.3 | 165.7 | 167.6 | 34.9 | -29 | 0 | 0 | 0 | 110.1 | ||||
| 225 | D | 58.7 | Low | 57.1 | Low | 165 Ų | 165 | 138.9 Ų | 138.9 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | 88.7 | 96.5 | 169.1 | -46.3 | -33.2 | 0 | 0 | 0 | 116.5 | ||||
| 226 | G | 56.1 | Low | 57.5 | Low | 59 Ų | 59 | 135.5 Ų | 135.5 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | trans | -164.2 | 70.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | H228 | G226-H228 PolarHBondContact O-N 3.38Å; G226-H228 VanDerWaalsContact O-N 3.14Å | ||
| 227 | D | 58.3 | Low | 57.9 | Low | 162 Ų | 162 | 137.7 Ų | 137.7 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -59.2 | 105.1 | 173.3 | -164.2 | 8 | 0 | 0 | 0 | 109.9 | ||||
| 228 | H | 63.3 | Low | 58.6 | Low | 167 Ų | 167 | 138.6 Ų | 138.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -117.8 | 92.9 | 171.5 | -77 | -57.2 | 0 | 0 | 0 | 109.5 | G226 W230 | G226-H228 PolarHBondContact O-N 3.38Å; G226-H228 VanDerWaalsContact O-N 3.14Å; H228-W230 PolarHBondContact O-N 3.14Å | ||
| 229 | G | 56.2 | Low | 59.3 | Low | 66 Ų | 66 | 137.5 Ų | 137.5 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -58 | 127.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A231 | G229-A231 VanDerWaalsContact C-N 3.26Å; G229-A231 PolarHBondContact O-N 3.25Å | ||
| 230 | W | 57.6 | Low | 60 | Low | 253 Ų | 253 | 141 Ų | 141 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | -74.4 | 80.3 | 166.7 | -66.8 | 86.2 | 0 | 0 | 0 | 109.3 | H228 | H228-W230 PolarHBondContact O-N 3.14Š| ||
| 231 | A | 62.3 | Low | 61 | Low | 92 Ų | 92 | 137.2 Ų | 137.2 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -80.3 | 123.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | G229 | G229-A231 VanDerWaalsContact C-N 3.26Å; G229-A231 PolarHBondContact O-N 3.25Å | ||
| 232 | Q | 58.3 | Low | 61.5 | Low | 162 Ų | 162 | 145.8 Ų | 145.8 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | -79.5 | 130.6 | 170.7 | -57.8 | -143.2 | -43.7 | 0 | 0 | 109.8 | F234 | Q232-F234 PolarHBondContact O-N 2.71Š| ||
| 233 | P | 70.3 | Confident | 61.9 | Low | 129 Ų | 129 | 143.5 Ų | 143.5 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -81 | 110 | 164.9 | 30.1 | -28 | 0 | 0 | 0 | 109.2 | ||||
| 234 | F | 60 | Low | 62.3 | Low | 190 Ų | 190 | 147.3 Ų | 147.3 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | trans | -72.1 | 141.7 | 154.6 | -73.6 | -88.2 | 0 | 0 | 0 | 108.8 | Q232 | Q232-F234 PolarHBondContact O-N 2.71Š| ||
| 235 | G | 58.1 | Low | 62.3 | Low | 78 Ų | 78 | 149.4 Ų | 149.4 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 97.2 | 101.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 236 | S | 59.4 | Low | 62.5 | Low | 93 Ų | 93 | 148.5 Ų | 148.5 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -147.9 | 99.8 | 133.7 | -158 | 0 | 0 | 0 | 0 | 108.4 | F238 | S236-F238 PolarHBondContact O-N 3.15Š| ||
| 237 | T | 66.6 | Low | 62.9 | Low | 138 Ų | 138 | 154.1 Ų | 154.1 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | -56.6 | 114.7 | 160 | 35.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 238 | F | 68.6 | Low | 63.2 | Low | 170 Ų | 170 | 153.6 Ų | 153.6 | 75% | 0.746 | 82% | 0.817 | S | S | * | * | trans | -103.1 | 105.5 | 161.1 | -86.5 | -81.1 | 0 | 0 | 0 | 109.1 | S236 | S236-F238 PolarHBondContact O-N 3.15Š| ||
| 239 | L | 70.7 | Confident | 63.2 | Low | 157 Ų | 157 | 152.6 Ų | 152.6 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -69.7 | 110.7 | 164.4 | -160 | 82.4 | 0 | 0 | 0 | 107.1 | ||||
| 240 | W | 66.2 | Low | 63.8 | Low | 238 Ų | 238 | 159.3 Ų | 159.3 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -110.1 | 105.7 | 158 | -86.3 | 83.5 | 0 | 0 | 0 | 107.2 | ||||
| 241 | N | 70.7 | Confident | 64.3 | Low | 122 Ų | 122 | 151.5 Ų | 151.5 | 65% | 0.652 | 82% | 0.82 | S | S | * | * | trans | -80.1 | 151.7 | 176.3 | -157.1 | 33.9 | 0 | 0 | 0 | 109 | ||||
| 242 | M | 60 | Low | 64.4 | Low | 249 Ų | 249 | 156.9 Ų | 156.9 | 100% | 1.227 | 83% | 0.825 | S | S | * | * | trans | 12.6 | 0 | 157.5 | -85.3 | 148.9 | 155.5 | 0 | 0 | 119.9 |
Retrieved 242 of 242 residues in 47 ms
(Link to these results)