| 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 | 40.4 | Very low | 55.7 | Low | 242 Ų | 242 | 145.5 Ų | 145.5 | 100% | 1.192 | 86% | 0.857 | S | S | * | * | 0 | 141 | 0 | -77.6 | 172.4 | 177.6 | 0 | 0 | 108.1 | |||||
| 2 | S | 49.4 | Very low | 56.5 | Low | 123 Ų | 123 | 150.9 Ų | 150.9 | 86% | 0.86 | 86% | 0.862 | S | S | * | * | trans | 82.7 | 94 | 174 | 90.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 3 | A | 52.3 | Low | 56.9 | Low | 101 Ų | 101 | 150.8 Ų | 150.8 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | trans | -160 | 73.7 | 147.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | T | 58.7 | Low | 57.3 | Low | 127 Ų | 127 | 154.4 Ų | 154.4 | 78% | 0.779 | 86% | 0.857 | S | S | * | * | trans | -127.2 | 75.8 | 176.7 | 53.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 5 | Y | 58.8 | Low | 57.7 | Low | 226 Ų | 226 | 153.7 Ų | 153.7 | 89% | 0.886 | 85% | 0.85 | S | S | * | * | trans | -137.3 | 17.9 | 178.5 | -91 | -73.3 | 0 | 0 | 0 | 115 | ||||
| 6 | N | 60 | Low | 58 | Low | 167 Ų | 167 | 156.3 Ų | 156.3 | 89% | 0.893 | 85% | 0.85 | S | S | * | * | trans | -124.9 | 26.1 | -173.3 | -88.6 | -31.5 | 0 | 0 | 0 | 116.4 | A8 | N6-A8 PolarHBondContact O-N 3.14Š| ||
| 7 | E | 55.7 | Low | 57.5 | Low | 194 Ų | 194 | 160 Ų | 160 | 91% | 0.907 | 86% | 0.856 | S | S | * | * | trans | -94.7 | 84.7 | 167.2 | -75.4 | -173.1 | 163.1 | 0 | 0 | 110.8 | ||||
| 8 | A | 61.9 | Low | 57.2 | Low | 98 Ų | 98 | 161.6 Ų | 161.6 | 81% | 0.81 | 85% | 0.854 | S | S | * | * | trans | -82.8 | 111.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | N6 | N6-A8 PolarHBondContact O-N 3.14Š| ||
| 9 | V | 58.5 | Low | 56.8 | Low | 132 Ų | 132 | 163.6 Ų | 163.6 | 80% | 0.8 | 86% | 0.855 | S | S | * | * | trans | -65.4 | 128.3 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | G11 | V9-G11 PolarHBondContact O-N 2.84Š| ||
| 10 | P | 52.7 | Low | 56.2 | Low | 130 Ų | 130 | 165.9 Ų | 165.9 | 84% | 0.844 | 86% | 0.858 | S | S | * | * | trans | -79.5 | 87.1 | 179.7 | 31.9 | -32.5 | 0 | 0 | 0 | 110.6 | ||||
| 11 | G | 64.7 | Low | 55.7 | Low | 60 Ų | 60 | 164.1 Ų | 164.1 | 62% | 0.619 | 85% | 0.854 | S | S | * | * | trans | -88.6 | 142 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V9 L13 | V9-G11 PolarHBondContact O-N 2.84Å; G11-L13 VanDerWaalsContact C-N 3.35Å; G11-L13 PolarHBondContact O-N 3.46Å | ||
| 12 | K | 64.6 | Low | 55.7 | Low | 211 Ų | 211 | 155.6 Ų | 155.6 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -68.7 | 85.9 | 173.7 | -68.9 | -179.3 | -177.3 | 176.2 | 0 | 110.7 | K14 | K12-K14 PolarHBondContact O-N 3.12Š| ||
| 13 | L | 62.5 | Low | 55.8 | Low | 150 Ų | 150 | 159.2 Ų | 159.2 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -76.8 | 103.1 | 173.8 | -152.9 | 77.1 | 0 | 0 | 0 | 110 | G11 L15 | G11-L13 VanDerWaalsContact C-N 3.35Å; G11-L13 PolarHBondContact O-N 3.46Å; L13-L15 HydrophobicContact CD2-CD1 3.89Å; L13-L15 HydrophobicContact CG-CD1 4.34Å; L13-L15 PolarHBondContact O-N 3.24Å | ||
| 14 | K | 61.7 | Low | 55.5 | Low | 200 Ų | 200 | 159.5 Ų | 159.5 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | trans | -73.4 | 94.2 | 173.9 | -67.3 | -175.1 | -179.5 | 179.5 | 0 | 109.7 | K12 K16 | K12-K14 PolarHBondContact O-N 3.12Å; K14-K16 PolarHBondContact O-N 2.87Å | ||
| 15 | L | 63.1 | Low | 55.1 | Low | 145 Ų | 145 | 161.4 Ų | 161.4 | 76% | 0.759 | 83% | 0.826 | S | S | * | * | trans | -67.1 | 112.9 | 170.9 | -100.2 | 76.4 | 0 | 0 | 0 | 110.2 | L13 K17 | L13-L15 HydrophobicContact CD2-CD1 3.89Å; L13-L15 HydrophobicContact CG-CD1 4.34Å; L13-L15 PolarHBondContact O-N 3.24Å; L15-K17 PolarHBondContact O-N 2.99Å | ||
| 16 | K | 62.7 | Low | 54.7 | Low | 195 Ų | 195 | 161.1 Ų | 161.1 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -58.4 | 122.9 | 161.6 | -90.1 | -167 | 172.1 | -177.6 | 0 | 108.2 | K14 K18 | K14-K16 PolarHBondContact O-N 2.87Å; K16-K18 PolarHBondContact O-N 3.07Å | ||
| 17 | K | 49.6 | Very low | 53.9 | Low | 219 Ų | 219 | 159.2 Ų | 159.2 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | trans | -59.9 | 84 | 169.6 | -77.2 | -179.7 | 175.6 | 176.4 | 0 | 109.7 | L15 | L15-K17 PolarHBondContact O-N 2.99Š| ||
| 18 | K | 52.6 | Low | 53.4 | Low | 189 Ų | 189 | 156.3 Ų | 156.3 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -81.9 | 122.9 | 159 | -78.8 | -166 | 173.8 | -175.3 | 0 | 107.4 | K16 K20 | K16-K18 PolarHBondContact O-N 3.07Å; K18-K20 PolarHBondContact O-N 3.04Å; K18-K20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | K | 49 | Very low | 52.7 | Low | 200 Ų | 200 | 156.1 Ų | 156.1 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -39.4 | 112.7 | 173.8 | -142.5 | 173.3 | -177 | -179.5 | 0 | 108.8 | T21 | K19-T21 VanDerWaalsContact C-N 3.3Å; K19-T21 PolarHBondContact O-N 2.91Å | ||
| 20 | K | 46.1 | Very low | 51.9 | Low | 208 Ų | 208 | 156.2 Ų | 156.2 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -66.1 | 89.7 | 175.8 | -77.1 | -176.9 | 175 | -178.5 | 0 | 108.5 | K18 G22 | K18-K20 PolarHBondContact O-N 3.04Å; K18-K20 VanDerWaalsContact O-N 3.1Å; K20-G22 PolarHBondContact O-N 3.25Å | ||
| 21 | T | 44 | Very low | 51.5 | Low | 129 Ų | 129 | 157.4 Ų | 157.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -75.6 | 77.3 | 152.1 | 41.3 | 0 | 0 | 0 | 0 | 106.5 | K19 K23 | K19-T21 VanDerWaalsContact C-N 3.3Å; K19-T21 PolarHBondContact O-N 2.91Å; T21-K23 PolarHBondContact O-N 2.72Å | ||
| 22 | G | 41.8 | Very low | 50.6 | Low | 64 Ų | 64 | 159.1 Ų | 159.1 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | -62 | 100 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108 | K20 P24 | K20-G22 PolarHBondContact O-N 3.25Å; G22-P24 VanDerWaalsContact O-CD 3.27Å; G22-P24 WeakPolarHBondContact O-CD 3.26Å | ||
| 23 | K | 49.9 | Very low | 49.5 | Very low | 198 Ų | 198 | 158 Ų | 158 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -58.6 | 116.2 | 158.6 | -81.9 | 176.5 | 175 | 177.7 | 0 | 105.3 | T21 I25 | T21-K23 PolarHBondContact O-N 2.72Å; K23-I25 PolarHBondContact O-N 2.75Å; K23-I25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | P | 47 | Very low | 48.7 | Very low | 108 Ų | 108 | 157.4 Ų | 157.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -60.7 | 123.3 | 169.7 | 26.8 | -30.6 | 0 | 0 | 0 | 105.7 | G22 R26 | G22-P24 VanDerWaalsContact O-CD 3.27Å; G22-P24 WeakPolarHBondContact O-CD 3.26Å; P24-R26 VanDerWaalsContact C-N 3.31Å; P24-R26 PolarHBondContact O-N 3.18Å | ||
| 25 | I | 50.8 | Low | 47.7 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -52.1 | 108.7 | 161.2 | -74.1 | 163.6 | 0 | 0 | 0 | 104.2 | K23 E27 | K23-I25 PolarHBondContact O-N 2.75Å; K23-I25 VanDerWaalsContact O-N 3.13Å; I25-E27 PolarHBondContact O-N 2.89Å | ||
| 26 | R | 49.6 | Very low | 47 | Very low | 220 Ų | 220 | 151.9 Ų | 151.9 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -53.3 | 125.7 | -173.8 | -92.3 | 178.5 | 161.9 | 177.7 | -6.7 | 108.4 | P24 N28 | P24-R26 VanDerWaalsContact C-N 3.31Å; P24-R26 PolarHBondContact O-N 3.18Å; R26-N28 VanDerWaalsContact C-N 3.31Å; R26-N28 PolarHBondContact O-N 2.92Å | ||
| 27 | E | 43 | Very low | 45.9 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 59% | 0.593 | 78% | 0.779 | S | S | * | * | trans | -58 | 84.5 | 174.4 | -62.5 | 172.8 | 132.3 | 0 | 0 | 110.6 | I25 K30 | I25-E27 PolarHBondContact O-N 2.89Å; E27-K30 HydrophobicContact CB-CD 4.33Å; E27-K30 HydrophobicContact CB-CG 4.49Å; E27-K30 VanDerWaalsContact CD-CE 3.43Å; E27-K30 VanDerWaalsContact OE1-CE 3.22Å; E27-K30 WeakPolarHBondContact OE1-CE 3.27Å; E27-K30 IonicContact OE1-NZ 2.75Å; E27-K30 PolarHBondContact OE1-NZ 3.06Å; E27-K30 WeakPolarHBondContact OE2-CE 3.48Å; E27-K30 IonicContact OE2-NZ 2.72Å; E27-K30 PolarHBondContact OE2-NZ 2.88Å | ||
| 28 | N | 44.7 | Very low | 45.6 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 15.1 | 163 | -73.3 | 10.3 | 0 | 0 | 0 | 111.7 | R26 K30 | R26-N28 VanDerWaalsContact C-N 3.31Å; R26-N28 PolarHBondContact O-N 2.92Å; N28-K30 VanDerWaalsContact C-N 3.33Å |
| 29 | A | 47.8 | Very low | 45.5 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 30 | K | 42.3 | Very low | 45.2 | Very low | 135 Ų | 135 | 141 Ų | 141 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -101.9 | 3.2 | -175.7 | -69.6 | -177.4 | 178.1 | 169.2 | 0 | 115.1 | E27 N28 | E27-K30 HydrophobicContact CB-CD 4.33Å; E27-K30 HydrophobicContact CB-CG 4.49Å; E27-K30 VanDerWaalsContact CD-CE 3.43Å; E27-K30 VanDerWaalsContact OE1-CE 3.22Å; E27-K30 WeakPolarHBondContact OE1-CE 3.27Å; E27-K30 IonicContact OE1-NZ 2.75Å; E27-K30 PolarHBondContact OE1-NZ 3.06Å; E27-K30 WeakPolarHBondContact OE2-CE 3.48Å; E27-K30 IonicContact OE2-NZ 2.72Å; E27-K30 PolarHBondContact OE2-NZ 2.88Å; N28-K30 VanDerWaalsContact C-N 3.33Å |
| 31 | E | 43.8 | Very low | 45.5 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -91.9 | 6.7 | 176.7 | -68.6 | -178.1 | 174.3 | 0 | 0 | 113.8 | I34 | E31-I34 WeakPolarHBondContact O-CG1 3.4Š|
| 32 | A | 45.7 | Very low | 46.6 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -95.9 | -9.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I34 | A32-I34 PolarHBondContact O-N 3.11Š|
| 33 | E | 41.4 | Very low | 48.3 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -87.4 | 61.1 | 161.5 | -80.2 | -173.5 | 143.4 | 0 | 0 | 109.2 | A35 | E33-A35 PolarHBondContact O-N 2.9Š| ||
| 34 | I | 46.7 | Very low | 49.8 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -72.3 | 89.5 | 159.8 | -60.2 | 171.6 | 0 | 0 | 0 | 105.7 | E31 A32 V36 | E31-I34 WeakPolarHBondContact O-CG1 3.4Å; A32-I34 PolarHBondContact O-N 3.11Å; I34-V36 PolarHBondContact O-N 3.18Å | ||
| 35 | A | 40.8 | Very low | 51.8 | Low | 75 Ų | 75 | 131.7 Ų | 131.7 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | trans | 18.6 | 83.6 | 138.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E33 E37 | E33-A35 PolarHBondContact O-N 2.9Å; A35-E37 PolarHBondContact O-N 3.32Å | ||
| 36 | V | 47.8 | Very low | 53.6 | Low | 153 Ų | 153 | 133.4 Ų | 133.4 | 93% | 0.927 | 73% | 0.734 | S | S | * | * | trans | -86.2 | 56.4 | 151.7 | -170.7 | 0 | 0 | 0 | 0 | 106.7 | I34 | I34-V36 PolarHBondContact O-N 3.18Š| ||
| 37 | E | 40.5 | Very low | 55.5 | Low | 173 Ų | 173 | 126.4 Ų | 126.4 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | trans | -115.6 | 140.7 | 163.9 | -71.6 | -151.6 | 159.1 | 0 | 0 | 107.7 | A35 | A35-E37 PolarHBondContact O-N 3.32Š| ||
| 38 | A | 43.1 | Very low | 57.8 | Low | 91 Ų | 91 | 124.8 Ų | 124.8 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | trans | 80 | 93.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 39 | K | 50.5 | Low | 60 | Low | 176 Ų | 176 | 119.9 Ų | 119.9 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | 177.1 | 133.1 | 99.3 | -88.1 | 166.6 | -169.2 | -174.9 | 0 | 110.6 | T41 | K39-T41 HydrophobicContact CB-CG2 4.43Å; K39-T41 PolarHBondContact O-N 3.14Å; K39-T41 VanDerWaalsContact O-N 3.14Å | |||
| 40 | P | 42.2 | Very low | 62 | Low | 134 Ų | 134 | 118.1 Ų | 118.1 | 87% | 0.87 | 68% | 0.679 | S | S | * | * | trans | -86.9 | 70.3 | 177.4 | 36.6 | -32.2 | 0 | 0 | 0 | 109.5 | ||||
| 41 | T | 52.8 | Low | 64.5 | Low | 109 Ų | 109 | 117.7 Ų | 117.7 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | trans | -145.9 | 60.3 | -167.1 | 62.8 | 0 | 0 | 0 | 0 | 115.2 | K39 | K39-T41 HydrophobicContact CB-CG2 4.43Å; K39-T41 PolarHBondContact O-N 3.14Å; K39-T41 VanDerWaalsContact O-N 3.14Å | ||
| 42 | A | 65.5 | Low | 66.8 | Low | 83 Ų | 83 | 115 Ų | 115 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | trans | -173.9 | 129.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | M44 | A42-M44 VanDerWaalsContact C-N 3.29Å; A42-M44 PolarHBondContact O-N 3.22Å | ||
| 43 | T | 77.8 | Confident | 69.1 | Low | 147 Ų | 147 | 119.2 Ų | 119.2 | 90% | 0.902 | 66% | 0.66 | S | S | * | * | trans | -65.3 | 92.9 | 171.3 | 46.5 | 0 | 0 | 0 | 0 | 108.4 | T45 | T43-T45 PolarHBondContact O-N 3.37Š| ||
| 44 | M | 81.7 | Confident | 71.5 | Confident | 104 Ų | 104 | 118.8 Ų | 118.8 | 51% | 0.512 | 65% | 0.651 | S | S | . | * | trans | -58 | 138.9 | 178.1 | -78.5 | -158.6 | 154.1 | 0 | 0 | 110.7 | A42 E48 | A42-M44 VanDerWaalsContact C-N 3.29Å; A42-M44 PolarHBondContact O-N 3.22Å; M44-E48 VanDerWaalsContact CA-OE2 3.26Å; M44-E48 WeakPolarHBondContact CA-OE2 3.22Å; M44-E48 HydrophobicContact CB-CB 4.09Å; M44-E48 HydrophobicContact CG-CB 4.29Å; M44-E48 HydrophobicContact SD-CB 4.12Å | ||
| 45 | T | 88.8 | Confident | 73.8 | Confident | 70 Ų | 70 | 114.3 Ų | 114.3 | 43% | 0.429 | 63% | 0.627 | S | S | . | * | trans | -65.5 | 156.6 | 172.3 | 68.9 | 0 | 0 | 0 | 0 | 109.9 | T43 A47 E48 A49 | T43-T45 PolarHBondContact O-N 3.37Å; T45-A47 PolarHBondContact O-N 2.85Å; T45-A47 VanDerWaalsContact O-N 3.11Å; T45-E48 PolarHBondContact N-OE2 2.89Å; T45-E48 PolarHBondContact O-N 3.47Å; T45-E48 VanDerWaalsContact OG1-CG 3.27Å; T45-E48 WeakPolarHBondContact OG1-CG 3.27Å; T45-E48 PolarHBondContact OG1-N 2.85Å; T45-E48 VanDerWaalsContact OG1-N 3.12Å; T45-A49 PolarHBondContact O-N 3.5Å | ||
| 46 | K | 88.7 | Confident | 76.4 | Confident | 203 Ų | 203 | 113.1 Ų | 113.1 | 88% | 0.883 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -54.5 | -32.9 | 174.4 | -67.1 | -176.9 | -178.6 | 177.7 | 0 | 111.8 | A50 | K46-A50 WeakPolarHBondContact O-CB 3.45Å; K46-A50 PolarHBondContact O-N 3.13Å; K46-A50 VanDerWaalsContact O-N 3.14Å |
| 47 | A | 91 | Very high | 78.6 | Confident | 73 Ų | 73 | 110.9 Ų | 110.9 | 60% | 0.603 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.9 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T45 A50 F51 | T45-A47 PolarHBondContact O-N 2.85Å; T45-A47 VanDerWaalsContact O-N 3.11Å; A47-A50 PolarHBondContact O-N 3.1Å; A47-F51 WeakPolarHBondContact O-CB 3.49Å; A47-F51 PolarHBondContact O-N 2.81Å |
| 48 | E | 91.3 | Very high | 81.2 | Confident | 92 Ų | 92 | 105.9 Ų | 105.9 | 43% | 0.43 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.4 | -45.2 | 176 | -74.2 | 164.3 | -178.9 | 0 | 0 | 111.6 | M44 T45 A50 F51 E52 | M44-E48 VanDerWaalsContact CA-OE2 3.26Å; M44-E48 WeakPolarHBondContact CA-OE2 3.22Å; M44-E48 HydrophobicContact CB-CB 4.09Å; M44-E48 HydrophobicContact CG-CB 4.29Å; M44-E48 HydrophobicContact SD-CB 4.12Å; T45-E48 PolarHBondContact N-OE2 2.89Å; T45-E48 PolarHBondContact O-N 3.47Å; T45-E48 VanDerWaalsContact OG1-CG 3.27Å; T45-E48 WeakPolarHBondContact OG1-CG 3.27Å; T45-E48 PolarHBondContact OG1-N 2.85Å; T45-E48 VanDerWaalsContact OG1-N 3.12Å; E48-A50 VanDerWaalsContact C-N 3.31Å; E48-A50 PolarHBondContact O-N 2.76Å; E48-F51 PolarHBondContact O-N 3.19Å; E48-E52 WeakPolarHBondContact O-CB 3.31Å; E48-E52 PolarHBondContact O-N 3.16Å |
| 49 | A | 89.3 | Confident | 83.7 | Confident | 31 Ų | 31 | 107.6 Ų | 107.6 | 26% | 0.256 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.3 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T45 R53 | T45-A49 PolarHBondContact O-N 3.5Å; A49-R53 VanDerWaalsContact O-CG 3.31Å; A49-R53 WeakPolarHBondContact O-CG 3.43Å; A49-R53 PolarHBondContact O-N 3.39Å |
| 50 | A | 91.4 | Very high | 85.8 | Confident | 56 Ų | 56 | 102.1 Ų | 102.1 | 46% | 0.463 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.3 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K46 A47 E48 R53 R54 | K46-A50 WeakPolarHBondContact O-CB 3.45Å; K46-A50 PolarHBondContact O-N 3.13Å; K46-A50 VanDerWaalsContact O-N 3.14Å; A47-A50 PolarHBondContact O-N 3.1Å; E48-A50 VanDerWaalsContact C-N 3.31Å; E48-A50 PolarHBondContact O-N 2.76Å; A50-R53 PolarHBondContact O-N 3.46Å; A50-R54 PolarHBondContact O-N 3.26Å |
| 51 | F | 93.9 | Very high | 88.3 | Confident | 126 Ų | 126 | 100 Ų | 100 | 55% | 0.553 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 176 | 177.9 | -103.4 | 0 | 0 | 0 | 111.7 | A47 E48 R53 R54 Q55 | A47-F51 WeakPolarHBondContact O-CB 3.49Å; A47-F51 PolarHBondContact O-N 2.81Å; E48-F51 PolarHBondContact O-N 3.19Å; F51-R53 PolarHBondContact O-N 3.37Å; F51-R54 PolarHBondContact O-N 3.07Å; F51-R54 VanDerWaalsContact O-N 3.16Å; F51-Q55 HydrophobicContact CD1-CG 3.88Å; F51-Q55 HydrophobicContact CD2-CG 4.44Å; F51-Q55 HydrophobicContact CE1-CG 3.49Å; F51-Q55 VanDerWaalsContact CE1-CG 3.49Å; F51-Q55 HydrophobicContact CE2-CG 4.09Å; F51-Q55 HydrophobicContact CG-CG 4.35Å; F51-Q55 HydrophobicContact CZ-CG 3.62Å; F51-Q55 WeakPolarHBondContact O-CG 3.44Å; F51-Q55 PolarHBondContact O-N 3.29Å |
| 52 | E | 92.7 | Very high | 90.3 | Very high | 97 Ų | 97 | 101.6 Ų | 101.6 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.8 | -174.1 | 171.4 | -155.1 | 0 | 0 | 112 | E48 R54 Q55 A56 | E48-E52 WeakPolarHBondContact O-CB 3.31Å; E48-E52 PolarHBondContact O-N 3.16Å; E52-R54 VanDerWaalsContact C-N 3.31Å; E52-R54 PolarHBondContact O-N 3.38Å; E52-Q55 WeakPolarHBondContact O-CB 3.49Å; E52-Q55 PolarHBondContact O-N 2.81Å; E52-A56 PolarHBondContact O-N 3.17Å |
| 53 | R | 92.5 | Very high | 91.6 | Very high | 184 Ų | 184 | 103.2 Ų | 103.2 | 69% | 0.694 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.8 | -44.9 | 172.7 | -70.2 | 172.3 | -169.2 | 173 | 2.8 | 111.6 | A49 A50 F51 A56 I57 | A49-R53 VanDerWaalsContact O-CG 3.31Å; A49-R53 WeakPolarHBondContact O-CG 3.43Å; A49-R53 PolarHBondContact O-N 3.39Å; A50-R53 PolarHBondContact O-N 3.46Å; F51-R53 PolarHBondContact O-N 3.37Å; R53-A56 PolarHBondContact O-N 2.87Å; R53-I57 WeakPolarHBondContact O-CG1 3.37Å; R53-I57 PolarHBondContact O-N 3.26Å |
| 54 | R | 93.5 | Very high | 92.3 | Very high | 178 Ų | 178 | 103 Ų | 103 | 67% | 0.672 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 177.2 | -167.8 | 173.9 | -172.7 | 168.8 | 2 | 112 | A50 F51 E52 A56 I57 L58 | A50-R54 PolarHBondContact O-N 3.26Å; F51-R54 PolarHBondContact O-N 3.07Å; F51-R54 VanDerWaalsContact O-N 3.16Å; E52-R54 VanDerWaalsContact C-N 3.31Å; E52-R54 PolarHBondContact O-N 3.38Å; R54-A56 VanDerWaalsContact C-N 3.35Å; R54-I57 PolarHBondContact O-N 3.03Å; R54-L58 HydrophobicContact CG-CD1 4.4Å; R54-L58 WeakPolarHBondContact O-CG 3.22Å; R54-L58 PolarHBondContact O-N 3.36Å |
| 55 | Q | 95 | Very high | 92.9 | Very high | 45 Ų | 45 | 104.6 Ų | 104.6 | 21% | 0.21 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 175 | -75.3 | -66 | -37.5 | 0 | 0 | 111.7 | F51 E52 I57 L58 R59 | F51-Q55 HydrophobicContact CD1-CG 3.88Å; F51-Q55 HydrophobicContact CD2-CG 4.44Å; F51-Q55 HydrophobicContact CE1-CG 3.49Å; F51-Q55 VanDerWaalsContact CE1-CG 3.49Å; F51-Q55 HydrophobicContact CE2-CG 4.09Å; F51-Q55 HydrophobicContact CG-CG 4.35Å; F51-Q55 HydrophobicContact CZ-CG 3.62Å; F51-Q55 WeakPolarHBondContact O-CG 3.44Å; F51-Q55 PolarHBondContact O-N 3.29Å; E52-Q55 WeakPolarHBondContact O-CB 3.49Å; E52-Q55 PolarHBondContact O-N 2.81Å; Q55-I57 VanDerWaalsContact C-N 3.34Å; Q55-I57 PolarHBondContact O-N 3.2Å; Q55-L58 PolarHBondContact O-N 3.04Å; Q55-R59 WeakPolarHBondContact O-CB 3.37Å; Q55-R59 WeakPolarHBondContact O-CG 3.36Å; Q55-R59 PolarHBondContact O-N 3.2Å |
| 56 | A | 94.1 | Very high | 93 | Very high | 51 Ų | 51 | 107.7 Ų | 107.7 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | E52 R53 R54 R59 A60 | E52-A56 PolarHBondContact O-N 3.17Å; R53-A56 PolarHBondContact O-N 2.87Å; R54-A56 VanDerWaalsContact C-N 3.35Å; A56-R59 PolarHBondContact O-N 3.46Å; A56-A60 PolarHBondContact O-N 3.21Å |
| 57 | I | 94.6 | Very high | 93.2 | Very high | 105 Ų | 105 | 102 Ų | 102 | 54% | 0.538 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 174.9 | -63 | 165.7 | 0 | 0 | 0 | 110.6 | R53 R54 Q55 R59 A60 E61 | R53-I57 WeakPolarHBondContact O-CG1 3.37Å; R53-I57 PolarHBondContact O-N 3.26Å; R54-I57 PolarHBondContact O-N 3.03Å; Q55-I57 VanDerWaalsContact C-N 3.34Å; Q55-I57 PolarHBondContact O-N 3.2Å; I57-R59 VanDerWaalsContact C-N 3.31Å; I57-R59 PolarHBondContact O-N 3.35Å; I57-A60 PolarHBondContact O-N 2.89Å; I57-E61 PolarHBondContact O-N 3.47Å |
| 58 | L | 94.8 | Very high | 93.2 | Very high | 69 Ų | 69 | 105 Ų | 105 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | -179.9 | -68.8 | 174.7 | 0 | 0 | 0 | 113 | R54 Q55 R62 | R54-L58 HydrophobicContact CG-CD1 4.4Å; R54-L58 WeakPolarHBondContact O-CG 3.22Å; R54-L58 PolarHBondContact O-N 3.36Å; Q55-L58 PolarHBondContact O-N 3.04Å; L58-R62 VanDerWaalsContact O-CB 3.24Å; L58-R62 WeakPolarHBondContact O-CB 3.4Å; L58-R62 PolarHBondContact O-N 3.43Å |
| 59 | R | 95.2 | Very high | 93.2 | Very high | 126 Ų | 126 | 102.5 Ų | 102.5 | 48% | 0.475 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 174.6 | -75.8 | 174.5 | -162.2 | 152.6 | 2.5 | 110.5 | Q55 A56 I57 E61 R62 I63 | Q55-R59 WeakPolarHBondContact O-CB 3.37Å; Q55-R59 WeakPolarHBondContact O-CG 3.36Å; Q55-R59 PolarHBondContact O-N 3.2Å; A56-R59 PolarHBondContact O-N 3.46Å; I57-R59 VanDerWaalsContact C-N 3.31Å; I57-R59 PolarHBondContact O-N 3.35Å; R59-E61 VanDerWaalsContact C-N 3.35Å; R59-E61 PolarHBondContact O-N 2.94Å; R59-R62 PolarHBondContact O-N 3.34Å; R59-I63 VanDerWaalsContact O-CG1 3.25Å; R59-I63 WeakPolarHBondContact O-CG1 3.25Å; R59-I63 PolarHBondContact O-N 3.02Å |
| 60 | A | 94.2 | Very high | 93.4 | Very high | 61 Ų | 61 | 104.1 Ų | 104.1 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | A56 I57 R62 I63 K64 | A56-A60 PolarHBondContact O-N 3.21Å; I57-A60 PolarHBondContact O-N 2.89Å; A60-R62 PolarHBondContact O-N 2.96Å; A60-I63 PolarHBondContact O-N 3.35Å; A60-K64 PolarHBondContact O-N 3.27Å |
| 61 | E | 95 | Very high | 93.5 | Very high | 90 Ų | 90 | 108.4 Ų | 108.4 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.5 | -70.2 | 180 | -178 | 0 | 0 | 112.7 | I57 R59 K64 K65 | I57-E61 PolarHBondContact O-N 3.47Å; R59-E61 VanDerWaalsContact C-N 3.35Å; R59-E61 PolarHBondContact O-N 2.94Å; E61-K64 PolarHBondContact O-N 2.91Å; E61-K65 WeakPolarHBondContact O-CG 3.24Å; E61-K65 PolarHBondContact O-N 3.5Å |
| 62 | R | 94.6 | Very high | 93.5 | Very high | 143 Ų | 143 | 110.7 Ų | 110.7 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 178.5 | -174.8 | -177 | -68.3 | 165.2 | -2.1 | 111.5 | L58 R59 A60 K65 K66 | L58-R62 VanDerWaalsContact O-CB 3.24Å; L58-R62 WeakPolarHBondContact O-CB 3.4Å; L58-R62 PolarHBondContact O-N 3.43Å; R59-R62 PolarHBondContact O-N 3.34Å; A60-R62 PolarHBondContact O-N 2.96Å; R62-K65 PolarHBondContact O-N 3.44Å; R62-K66 HydrophobicContact CG-CD 4.31Å; R62-K66 HydrophobicContact CG-CG 4.5Å; R62-K66 WeakPolarHBondContact O-CB 3.36Å; R62-K66 WeakPolarHBondContact O-CG 3.34Å; R62-K66 PolarHBondContact O-N 3.12Å |
| 63 | I | 93.5 | Very high | 93.6 | Very high | 116 Ų | 116 | 110.8 Ų | 110.8 | 60% | 0.595 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.4 | -48.4 | 175.3 | -69.4 | 164.1 | 0 | 0 | 0 | 109.5 | R59 A60 K65 K66 A67 | R59-I63 VanDerWaalsContact O-CG1 3.25Å; R59-I63 WeakPolarHBondContact O-CG1 3.25Å; R59-I63 PolarHBondContact O-N 3.02Å; A60-I63 PolarHBondContact O-N 3.35Å; I63-K65 PolarHBondContact O-N 2.99Å; I63-K66 PolarHBondContact O-N 3.34Å; I63-A67 WeakPolarHBondContact O-CB 3.35Å; I63-A67 PolarHBondContact O-N 2.91Å |
| 64 | K | 93.4 | Very high | 93.7 | Very high | 144 Ų | 144 | 106.3 Ų | 106.3 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.1 | -49.3 | 175.9 | -174.3 | 177.6 | 179.3 | 178.9 | 0 | 112 | A60 E61 K66 A67 Q68 | A60-K64 PolarHBondContact O-N 3.27Å; E61-K64 PolarHBondContact O-N 2.91Å; K64-K66 PolarHBondContact O-N 3.08Å; K64-A67 PolarHBondContact O-N 3.07Å; K64-Q68 WeakPolarHBondContact O-CG 3.32Å; K64-Q68 PolarHBondContact O-N 3.24Å; K64-Q68 VanDerWaalsContact O-N 3.12Å |
| 65 | K | 92.5 | Very high | 93.8 | Very high | 136 Ų | 136 | 100.4 Ų | 100.4 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 178.5 | -72.2 | 177.1 | -177.8 | 176.9 | 0 | 113 | E61 R62 I63 A67 Q68 | E61-K65 WeakPolarHBondContact O-CG 3.24Å; E61-K65 PolarHBondContact O-N 3.5Å; R62-K65 PolarHBondContact O-N 3.44Å; I63-K65 PolarHBondContact O-N 2.99Å; K65-A67 VanDerWaalsContact C-N 3.33Å; K65-Q68 PolarHBondContact O-N 3.43Å |
| 66 | K | 92.7 | Very high | 93.8 | Very high | 135 Ų | 135 | 101.9 Ų | 101.9 | 59% | 0.587 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67 | -34.8 | 178.6 | -79.2 | -176.4 | 174.7 | -171 | 0 | 112.5 | R62 I63 K64 K74 | R62-K66 HydrophobicContact CG-CD 4.31Å; R62-K66 HydrophobicContact CG-CG 4.5Å; R62-K66 WeakPolarHBondContact O-CB 3.36Å; R62-K66 WeakPolarHBondContact O-CG 3.34Å; R62-K66 PolarHBondContact O-N 3.12Å; I63-K66 PolarHBondContact O-N 3.34Å; K64-K66 PolarHBondContact O-N 3.08Å; K66-K74 PolarHBondContact O-NZ 3.5Å |
| 67 | A | 91.4 | Very high | 93.9 | Very high | 84 Ų | 84 | 106.7 Ų | 106.7 | 69% | 0.694 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75 | -26.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I63 K64 K65 S69 | I63-A67 WeakPolarHBondContact O-CB 3.35Å; I63-A67 PolarHBondContact O-N 2.91Å; K64-A67 PolarHBondContact O-N 3.07Å; K65-A67 VanDerWaalsContact C-N 3.33Å; A67-S69 VanDerWaalsContact C-N 3.28Å; A67-S69 PolarHBondContact O-N 3.01Å |
| 68 | Q | 90.8 | Very high | 93.9 | Very high | 135 Ų | 135 | 106.1 Ų | 106.1 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -27.5 | 177.5 | -78.8 | 171.4 | -27 | 0 | 0 | 114 | K64 K65 | K64-Q68 WeakPolarHBondContact O-CG 3.32Å; K64-Q68 PolarHBondContact O-N 3.24Å; K64-Q68 VanDerWaalsContact O-N 3.12Å; K65-Q68 PolarHBondContact O-N 3.43Å |
| 69 | S | 91.5 | Very high | 94 | Very high | 41 Ų | 41 | 106.7 Ų | 106.7 | 29% | 0.287 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -114.5 | 128 | -175.1 | 42.2 | 0 | 0 | 0 | 0 | 111.8 | A67 E73 K74 | A67-S69 VanDerWaalsContact C-N 3.28Å; A67-S69 PolarHBondContact O-N 3.01Å; S69-E73 VanDerWaalsContact CA-OE2 3.25Å; S69-E73 WeakPolarHBondContact CA-OE2 3.47Å; S69-K74 VanDerWaalsContact O-CE 3.27Å; S69-K74 WeakPolarHBondContact O-CE 3.44Å; S69-K74 PolarHBondContact O-NZ 3.44Å; S69-K74 WeakPolarHBondContact OG-CE 2.95Å |
| 70 | S | 93.9 | Very high | 94 | Very high | 64 Ų | 64 | 106.9 Ų | 106.9 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | trans | -65.8 | 157.3 | 171.9 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | R72 E73 K74 | S70-R72 PolarHBondContact O-N 3.35Å; S70-R72 PolarHBondContact OG-N 3.09Å; S70-E73 PolarHBondContact N-OE2 3.06Å; S70-E73 PolarHBondContact O-N 3.2Å; S70-K74 WeakPolarHBondContact O-CG 3.36Å; S70-K74 PolarHBondContact O-N 3.39Å; S70-K74 VanDerWaalsContact O-N 3.09Å | ||
| 71 | H | 93.6 | Very high | 94.1 | Very high | 146 Ų | 146 | 108.9 Ų | 108.9 | 68% | 0.676 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.1 | -39.7 | 172.4 | 179.9 | 56.5 | 0 | 0 | 0 | 111.4 | E73 K74 V75 | H71-E73 PolarHBondContact O-N 3.36Å; H71-K74 WeakPolarHBondContact O-CB 3.42Å; H71-K74 PolarHBondContact O-N 2.86Å; H71-V75 WeakPolarHBondContact O-CG2 3.25Å; H71-V75 PolarHBondContact O-N 3.3Å |
| 72 | R | 94.5 | Very high | 94.1 | Very high | 175 Ų | 175 | 109.1 Ų | 109.1 | 66% | 0.66 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -56.9 | -50.8 | 176.6 | -179.6 | -178.6 | 169.7 | 120.7 | 11.1 | 111.8 | S70 K74 V75 E76 | S70-R72 PolarHBondContact O-N 3.35Å; S70-R72 PolarHBondContact OG-N 3.09Å; R72-K74 VanDerWaalsContact C-N 3.27Å; R72-K74 PolarHBondContact O-N 3.41Å; R72-V75 WeakPolarHBondContact O-CB 3.27Å; R72-V75 PolarHBondContact O-N 3.13Å; R72-V75 VanDerWaalsContact O-N 3.08Å; R72-E76 HydrophobicContact CG-CG 4.48Å; R72-E76 IonicContact CZ-OE1 3.28Å; R72-E76 VanDerWaalsContact CZ-OE1 3.28Å; R72-E76 IonicContact NE-OE1 2.76Å; R72-E76 PolarHBondContact NE-OE1 3.06Å; R72-E76 IonicContact NH2-OE1 2.93Å; R72-E76 PolarHBondContact NH2-OE1 3.27Å; R72-E76 WeakPolarHBondContact O-CG 3.35Å; R72-E76 PolarHBondContact O-N 2.93Å |
| 73 | E | 94.2 | Very high | 93.9 | Very high | 98 Ų | 98 | 109.1 Ų | 109.1 | 46% | 0.458 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 178.7 | -65.7 | 164.5 | -178.1 | 0 | 0 | 112.1 | S69 S70 H71 V75 E76 K77 | S69-E73 VanDerWaalsContact CA-OE2 3.25Å; S69-E73 WeakPolarHBondContact CA-OE2 3.47Å; S70-E73 PolarHBondContact N-OE2 3.06Å; S70-E73 PolarHBondContact O-N 3.2Å; H71-E73 PolarHBondContact O-N 3.36Å; E73-V75 VanDerWaalsContact C-N 3.33Å; E73-E76 PolarHBondContact O-N 3.2Å; E73-K77 VanDerWaalsContact O-CB 3.3Å; E73-K77 WeakPolarHBondContact O-CB 3.47Å; E73-K77 PolarHBondContact O-N 2.9Å |
| 74 | K | 94.2 | Very high | 93.8 | Very high | 90 Ų | 90 | 107.6 Ų | 107.6 | 39% | 0.391 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 174.4 | -70.1 | 166.9 | -172.8 | 153.2 | 0 | 111.7 | K66 S69 S70 H71 R72 L78 | K66-K74 PolarHBondContact O-NZ 3.5Å; S69-K74 VanDerWaalsContact O-CE 3.27Å; S69-K74 WeakPolarHBondContact O-CE 3.44Å; S69-K74 PolarHBondContact O-NZ 3.44Å; S69-K74 WeakPolarHBondContact OG-CE 2.95Å; S70-K74 WeakPolarHBondContact O-CG 3.36Å; S70-K74 PolarHBondContact O-N 3.39Å; S70-K74 VanDerWaalsContact O-N 3.09Å; H71-K74 WeakPolarHBondContact O-CB 3.42Å; H71-K74 PolarHBondContact O-N 2.86Å; R72-K74 VanDerWaalsContact C-N 3.27Å; R72-K74 PolarHBondContact O-N 3.41Å; K74-L78 WeakPolarHBondContact O-CB 3.45Å; K74-L78 PolarHBondContact O-N 3.48Å |
| 75 | V | 95.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 105 Ų | 105 | 33% | 0.327 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.3 | -43.9 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | H71 R72 E73 K77 L78 N79 | H71-V75 WeakPolarHBondContact O-CG2 3.25Å; H71-V75 PolarHBondContact O-N 3.3Å; R72-V75 WeakPolarHBondContact O-CB 3.27Å; R72-V75 PolarHBondContact O-N 3.13Å; R72-V75 VanDerWaalsContact O-N 3.08Å; E73-V75 VanDerWaalsContact C-N 3.33Å; V75-K77 PolarHBondContact O-N 3.17Å; V75-L78 WeakPolarHBondContact O-CB 3.35Å; V75-L78 PolarHBondContact O-N 2.9Å; V75-N79 VanDerWaalsContact O-CG 3.28Å; V75-N79 PolarHBondContact O-N 3.18Å |
| 76 | E | 95.9 | Very high | 93.5 | Very high | 76 Ų | 76 | 103.1 Ų | 103.1 | 36% | 0.355 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.8 | -49.7 | 175.7 | -73.1 | 169.3 | 171.8 | 0 | 0 | 110.8 | R72 E73 L78 N79 E80 | R72-E76 HydrophobicContact CG-CG 4.48Å; R72-E76 IonicContact CZ-OE1 3.28Å; R72-E76 VanDerWaalsContact CZ-OE1 3.28Å; R72-E76 IonicContact NE-OE1 2.76Å; R72-E76 PolarHBondContact NE-OE1 3.06Å; R72-E76 IonicContact NH2-OE1 2.93Å; R72-E76 PolarHBondContact NH2-OE1 3.27Å; R72-E76 WeakPolarHBondContact O-CG 3.35Å; R72-E76 PolarHBondContact O-N 2.93Å; E73-E76 PolarHBondContact O-N 3.2Å; E76-L78 VanDerWaalsContact C-N 3.3Å; E76-L78 PolarHBondContact O-N 3.33Å; E76-N79 PolarHBondContact O-N 3.49Å; E76-E80 WeakPolarHBondContact O-CG 3.5Å; E76-E80 PolarHBondContact O-N 2.92Å |
| 77 | K | 95.4 | Very high | 93.1 | Very high | 152 Ų | 152 | 106.1 Ų | 106.1 | 66% | 0.661 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.9 | -34.8 | 175.9 | -175.4 | 173.5 | -177.6 | 172.8 | 0 | 113.5 | E73 V75 H81 | E73-K77 VanDerWaalsContact O-CB 3.3Å; E73-K77 WeakPolarHBondContact O-CB 3.47Å; E73-K77 PolarHBondContact O-N 2.9Å; V75-K77 PolarHBondContact O-N 3.17Å; K77-H81 WeakPolarHBondContact O-CB 3.44Å; K77-H81 PolarHBondContact O-N 2.86Å |
| 78 | L | 95.9 | Very high | 92.9 | Very high | 93 Ų | 93 | 107.7 Ų | 107.7 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 175.5 | 176.4 | 64.8 | 0 | 0 | 0 | 110.6 | K74 V75 E76 H81 L82 | K74-L78 WeakPolarHBondContact O-CB 3.45Å; K74-L78 PolarHBondContact O-N 3.48Å; V75-L78 WeakPolarHBondContact O-CB 3.35Å; V75-L78 PolarHBondContact O-N 2.9Å; E76-L78 VanDerWaalsContact C-N 3.3Å; E76-L78 PolarHBondContact O-N 3.33Å; L78-H81 WeakPolarHBondContact O-CB 3.45Å; L78-H81 PolarHBondContact O-N 3.49Å; L78-L82 HydrophobicContact CD1-CD1 4.44Å; L78-L82 HydrophobicContact CD1-CG 4.37Å; L78-L82 HydrophobicContact CG-CD1 4.23Å; L78-L82 WeakPolarHBondContact O-CG 3.36Å; L78-L82 PolarHBondContact O-N 2.76Å |
| 79 | N | 95.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 108 Ų | 108 | 43% | 0.433 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 178.5 | -66.9 | -11.4 | 0 | 0 | 0 | 110.9 | V75 E76 H81 L82 D83 | V75-N79 VanDerWaalsContact O-CG 3.28Å; V75-N79 PolarHBondContact O-N 3.18Å; E76-N79 PolarHBondContact O-N 3.49Å; N79-H81 PolarHBondContact O-N 2.93Å; N79-L82 PolarHBondContact O-N 2.98Å; N79-L82 VanDerWaalsContact O-N 3.13Å; N79-D83 VanDerWaalsContact O-CG 3.3Å; N79-D83 PolarHBondContact O-N 3.21Å |
| 80 | E | 95.8 | Very high | 92.5 | Very high | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -54.9 | -40.9 | 172.6 | -72.3 | 171.6 | -177.2 | 0 | 0 | 112.1 | E76 S84 | E76-E80 WeakPolarHBondContact O-CG 3.5Å; E76-E80 PolarHBondContact O-N 2.92Å; E80-S84 PolarHBondContact O-N 3.44Å |
| 81 | H | 96 | Very high | 91.9 | Very high | 102 Ų | 102 | 116.2 Ų | 116.2 | 47% | 0.472 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.5 | -46 | 176.9 | -178.5 | 40.6 | 0 | 0 | 0 | 111.8 | K77 L78 N79 S84 L85 | K77-H81 WeakPolarHBondContact O-CB 3.44Å; K77-H81 PolarHBondContact O-N 2.86Å; L78-H81 WeakPolarHBondContact O-CB 3.45Å; L78-H81 PolarHBondContact O-N 3.49Å; N79-H81 PolarHBondContact O-N 2.93Å; H81-S84 PolarHBondContact O-N 3.28Å; H81-S84 PolarHBondContact O-OG 3.25Å; H81-L85 WeakPolarHBondContact O-CG 3.3Å; H81-L85 PolarHBondContact O-N 3.12Å |
| 82 | L | 94.6 | Very high | 91.4 | Very high | 95 Ų | 95 | 114.2 Ų | 114.2 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.6 | -40.3 | 178.9 | -67.6 | 176.1 | 0 | 0 | 0 | 111.9 | L78 N79 S84 L85 | L78-L82 HydrophobicContact CD1-CD1 4.44Å; L78-L82 HydrophobicContact CD1-CG 4.37Å; L78-L82 HydrophobicContact CG-CD1 4.23Å; L78-L82 WeakPolarHBondContact O-CG 3.36Å; L78-L82 PolarHBondContact O-N 2.76Å; N79-L82 PolarHBondContact O-N 2.98Å; N79-L82 VanDerWaalsContact O-N 3.13Å; L82-S84 PolarHBondContact O-N 2.88Å; L82-L85 HydrophobicContact CD2-CD1 4.13Å; L82-L85 PolarHBondContact O-N 2.66Å; L82-L85 VanDerWaalsContact O-N 3.12Å |
| 83 | D | 91.3 | Very high | 90.8 | Very high | 143 Ų | 143 | 114.1 Ų | 114.1 | 77% | 0.765 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.3 | -28.7 | 176.1 | -70.1 | -17.3 | 0 | 0 | 0 | 112.2 | N79 | N79-D83 VanDerWaalsContact O-CG 3.3Å; N79-D83 PolarHBondContact O-N 3.21Å |
| 84 | S | 91.4 | Very high | 89.8 | Confident | 84 Ų | 84 | 117.2 Ų | 117.2 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.6 | -16.8 | 176.8 | 76.2 | 0 | 0 | 0 | 0 | 114.1 | E80 H81 L82 | E80-S84 PolarHBondContact O-N 3.44Å; H81-S84 PolarHBondContact O-N 3.28Å; H81-S84 PolarHBondContact O-OG 3.25Å; L82-S84 PolarHBondContact O-N 2.88Å |
| 85 | L | 92.4 | Very high | 89 | Confident | 90 Ų | 90 | 117.7 Ų | 117.7 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -77 | 142.1 | -179.5 | -72 | 174.1 | 0 | 0 | 0 | 110.5 | H81 L82 | H81-L85 WeakPolarHBondContact O-CG 3.3Å; H81-L85 PolarHBondContact O-N 3.12Å; L82-L85 HydrophobicContact CD2-CD1 4.13Å; L82-L85 PolarHBondContact O-N 2.66Å; L82-L85 VanDerWaalsContact O-N 3.12Å |
| 86 | T | 86.9 | Confident | 87.5 | Confident | 96 Ų | 96 | 126.2 Ų | 126.2 | 59% | 0.589 | 65% | 0.651 | S | S | * | * | trans | -72.1 | 136.7 | 176.3 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | L88 N89 | T86-L88 PolarHBondContact O-N 3.18Å; T86-N89 PolarHBondContact OG1-OD1 3.23Å | ||
| 87 | E | 84.7 | Confident | 86.1 | Confident | 199 Ų | 199 | 128.7 Ų | 128.7 | 93% | 0.93 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -58.9 | -33.4 | 176.3 | -66.1 | -77.9 | -178 | 0 | 0 | 112.7 | ||
| 88 | L | 87.7 | Confident | 84.4 | Confident | 117 Ų | 117 | 134 Ų | 134 | 61% | 0.613 | 70% | 0.695 | S | S | * | * | trans | -119.4 | 116.5 | -177.6 | -172.6 | 64.5 | 0 | 0 | 0 | 111 | T86 D90 | T86-L88 PolarHBondContact O-N 3.18Å; L88-D90 VanDerWaalsContact C-N 3.27Å; L88-D90 HydrophobicContact CD1-CB 4.22Å; L88-D90 HydrophobicContact CG-CB 4.24Å; L88-D90 PolarHBondContact O-N 2.86Å | ||
| 89 | N | 84.9 | Confident | 83.9 | Confident | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | trans | -92.1 | 21.8 | 178.5 | -63 | -46.7 | 0 | 0 | 0 | 113.1 | T86 | T86-N89 PolarHBondContact OG1-OD1 3.23Š| ||
| 90 | D | 87.8 | Confident | 83.3 | Confident | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -121.1 | 138.9 | -179.4 | -84.4 | -38.8 | 0 | 0 | 0 | 110.9 | L88 | L88-D90 VanDerWaalsContact C-N 3.27Å; L88-D90 HydrophobicContact CD1-CB 4.22Å; L88-D90 HydrophobicContact CG-CB 4.24Å; L88-D90 PolarHBondContact O-N 2.86Å |
| 91 | I | 80.9 | Confident | 82.6 | Confident | 156 Ų | 156 | 139.4 Ų | 139.4 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 123.5 | 173.9 | -61.7 | 170 | 0 | 0 | 0 | 107.6 | K93 | I91-K93 PolarHBondContact O-N 3.42Š|
| 92 | P | 83.3 | Confident | 81.8 | Confident | 103 Ų | 103 | 141.6 Ų | 141.6 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 127.9 | 177.7 | 24.9 | -33.1 | 0 | 0 | 0 | 109.1 | ||
| 93 | K | 83.3 | Confident | 81 | Confident | 174 Ų | 174 | 144.6 Ų | 144.6 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 138.1 | 178.4 | -62.7 | -178.7 | -176.4 | 176.8 | 0 | 109 | I91 S95 W96 | I91-K93 PolarHBondContact O-N 3.42Å; K93-S95 PolarHBondContact O-N 3.08Å; K93-W96 PolarHBondContact O-N 2.81Å; K93-W96 VanDerWaalsContact O-N 3.07Å |
| 94 | V | 72.4 | Confident | 80.3 | Confident | 162 Ų | 162 | 144.7 Ų | 144.7 | 98% | 0.982 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 5.3 | -174.4 | -173.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 95 | S | 78.6 | Confident | 79.5 | Confident | 101 Ų | 101 | 149 Ų | 149 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.5 | 14.4 | 176.1 | 56 | 0 | 0 | 0 | 0 | 115.1 | K93 T97 | K93-S95 PolarHBondContact O-N 3.08Å; S95-T97 VanDerWaalsContact C-N 3.26Å; S95-T97 PolarHBondContact O-N 3.07Å; S95-T97 VanDerWaalsContact O-N 3.08Å |
| 96 | W | 62.3 | Low | 78.5 | Confident | 233 Ų | 233 | 153.5 Ų | 153.5 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -82.3 | 73.3 | 166.7 | -171.2 | -95.8 | 0 | 0 | 0 | 110.6 | K93 | K93-W96 PolarHBondContact O-N 2.81Å; K93-W96 VanDerWaalsContact O-N 3.07Å | ||
| 97 | T | 66.8 | Low | 77.8 | Confident | 128 Ų | 128 | 158.3 Ų | 158.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -89.3 | 129.2 | 158.6 | 37.9 | 0 | 0 | 0 | 0 | 108.1 | S95 | S95-T97 VanDerWaalsContact C-N 3.26Å; S95-T97 PolarHBondContact O-N 3.07Å; S95-T97 VanDerWaalsContact O-N 3.08Å | ||
| 98 | K | 61 | Low | 77.2 | Confident | 264 Ų | 264 | 154.6 Ų | 154.6 | 100% | 1.148 | 80% | 0.795 | S | S | * | * | trans | -71.1 | 0 | 166.9 | -175.4 | 167.1 | -174.5 | 170.2 | 0 | 110.7 |
Retrieved 98 of 98 residues in 21.9 ms
(Link to these results)