| 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 | 52.4 | Low | 86.4 | Confident | 214 Ų | 214 | 141.4 Ų | 141.4 | 100% | 1.054 | 76% | 0.764 | S | S | * | * | 0 | 112.4 | 0 | -170.5 | 178.6 | 162.6 | 0 | 0 | 107.2 | K3 | M1-K3 PolarHBondContact O-N 3.08Š| |||
| 2 | V | 75.9 | Confident | 87.1 | Confident | 135 Ų | 135 | 147.3 Ų | 147.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -78.7 | 80.4 | -176.5 | -173 | 0 | 0 | 0 | 0 | 107.7 | R4 | V2-R4 PolarHBondContact O-N 2.89Š| ||
| 3 | K | 91.9 | Very high | 87.7 | Confident | 173 Ų | 173 | 146.8 Ų | 146.8 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 117.9 | 164.3 | -68.3 | -176.1 | 178.3 | -178.1 | 0 | 105.9 | M1 | M1-K3 PolarHBondContact O-N 3.08Š|
| 4 | R | 90.4 | Very high | 87.9 | Confident | 233 Ų | 233 | 138.9 Ų | 138.9 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 129.2 | 170.9 | -68.7 | -175.8 | 174.1 | 174.4 | -3 | 107.6 | V2 | V2-R4 PolarHBondContact O-N 2.89Š|
| 5 | S | 92.7 | Very high | 88.3 | Confident | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -77 | 151.7 | 167.1 | -58.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 6 | A | 92.1 | Very high | 88.6 | Confident | 85 Ų | 85 | 139.5 Ų | 139.5 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -65 | 141.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G8 | A6-G8 VanDerWaalsContact C-N 3.29Š|
| 7 | D | 88.8 | Confident | 88.5 | Confident | 180 Ų | 180 | 139.6 Ų | 139.6 | 96% | 0.963 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -75.6 | -21.1 | -179.3 | -63.9 | -42.1 | 0 | 0 | 0 | 112.1 | ||
| 8 | G | 87.8 | Confident | 88.3 | Confident | 58 Ų | 58 | 140.6 Ų | 140.6 | 60% | 0.598 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -118.8 | 146.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A6 | A6-G8 VanDerWaalsContact C-N 3.29Š|
| 9 | Q | 91.2 | Very high | 87.8 | Confident | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -85.9 | 116.9 | 167.5 | -174.4 | 174.9 | 2.2 | 0 | 0 | 108.8 | T11 | Q9-T11 HydrophobicContact CG-CG2 4.44Å; Q9-T11 PolarHBondContact O-N 3.19Å | ||
| 10 | L | 92.5 | Very high | 86.9 | Confident | 144 Ų | 144 | 141.1 Ų | 141.1 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | -73.5 | 112.7 | 174.3 | -157.5 | 77.8 | 0 | 0 | 0 | 108.8 | W15 | L10-W15 HydrophobicContact CD1-CB 4.1Å; L10-W15 HydrophobicContact CD2-CB 4.18Å; L10-W15 HydrophobicContact CG-CB 3.96Å | ||
| 11 | T | 94.7 | Very high | 86 | Confident | 52 Ų | 52 | 138.2 Ų | 138.2 | 32% | 0.319 | 72% | 0.716 | S | S | . | * | trans | -102.3 | 166 | 174.7 | 71.1 | 0 | 0 | 0 | 0 | 110.5 | Q9 E13 S14 W15 | Q9-T11 HydrophobicContact CG-CG2 4.44Å; Q9-T11 PolarHBondContact O-N 3.19Å; T11-E13 WeakPolarHBondContact CB-OE2 3.47Å; T11-E13 PolarHBondContact O-N 2.83Å; T11-E13 PolarHBondContact OG1-OE2 3.33Å; T11-S14 PolarHBondContact N-OG 3.36Å; T11-S14 PolarHBondContact O-N 3.49Å; T11-S14 WeakPolarHBondContact OG1-CB 3.44Å; T11-S14 PolarHBondContact OG1-N 2.97Å; T11-S14 PolarHBondContact OG1-OG 2.72Å; T11-W15 PolarHBondContact O-N 2.72Å; T11-W15 VanDerWaalsContact O-N 3.16Å | ||
| 12 | R | 95.6 | Very high | 86.8 | Confident | 213 Ų | 213 | 136.3 Ų | 136.3 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -22.3 | 177.2 | -175.7 | 176.1 | -177.2 | -179.9 | 1.1 | 111.9 | W15 | R12-W15 PolarHBondContact O-NE1 3.04Å; R12-W15 VanDerWaalsContact O-NE1 3.13Å |
| 13 | E | 94.4 | Very high | 86 | Confident | 141 Ų | 141 | 137.9 Ų | 137.9 | 66% | 0.659 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -29 | 177.9 | -56.7 | 73.3 | -156.3 | 0 | 0 | 111.8 | T11 | T11-E13 WeakPolarHBondContact CB-OE2 3.47Å; T11-E13 PolarHBondContact O-N 2.83Å; T11-E13 PolarHBondContact OG1-OE2 3.33Å |
| 14 | S | 90.2 | Very high | 84.7 | Confident | 36 Ų | 36 | 133.6 Ų | 133.6 | 25% | 0.252 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.3 | -5.3 | -173.6 | 70.5 | 0 | 0 | 0 | 0 | 116.2 | T11 D16 E17 | T11-S14 PolarHBondContact N-OG 3.36Å; T11-S14 PolarHBondContact O-N 3.49Å; T11-S14 WeakPolarHBondContact OG1-CB 3.44Å; T11-S14 PolarHBondContact OG1-N 2.97Å; T11-S14 PolarHBondContact OG1-OG 2.72Å; S14-D16 PolarHBondContact O-N 3.49Å; S14-E17 PolarHBondContact O-N 3.36Å |
| 15 | W | 93.9 | Very high | 83.5 | Confident | 163 Ų | 163 | 132 Ų | 132 | 62% | 0.617 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -17.8 | -176.6 | 73.9 | -79.2 | 0 | 0 | 0 | 114.5 | L10 T11 R12 | L10-W15 HydrophobicContact CD1-CB 4.1Å; L10-W15 HydrophobicContact CD2-CB 4.18Å; L10-W15 HydrophobicContact CG-CB 3.96Å; T11-W15 PolarHBondContact O-N 2.72Å; T11-W15 VanDerWaalsContact O-N 3.16Å; R12-W15 PolarHBondContact O-NE1 3.04Å; R12-W15 VanDerWaalsContact O-NE1 3.13Å |
| 16 | D | 92.9 | Very high | 81.8 | Confident | 124 Ų | 124 | 130.9 Ų | 130.9 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 2.8 | 179.6 | -157.4 | 27.6 | 0 | 0 | 0 | 111.8 | S14 D18 | S14-D16 PolarHBondContact O-N 3.49Å; D16-D18 PolarHBondContact O-N 3.1Å |
| 17 | E | 87.6 | Confident | 80.2 | Confident | 142 Ų | 142 | 131.8 Ų | 131.8 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -78.4 | 110.8 | 168.6 | -68.8 | -174.3 | 164.9 | 0 | 0 | 107.1 | S14 E19 | S14-E17 PolarHBondContact O-N 3.36Å; E17-E19 PolarHBondContact O-N 3.21Å |
| 18 | D | 84.5 | Confident | 78.7 | Confident | 156 Ų | 156 | 129.1 Ų | 129.1 | 83% | 0.834 | 68% | 0.684 | S | S | * | * | trans | -51.8 | 113.9 | 168.7 | -79.2 | -37.5 | 0 | 0 | 0 | 107.8 | D16 P20 | D16-D18 PolarHBondContact O-N 3.1Å; D18-P20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | E | 78.8 | Confident | 77.5 | Confident | 178 Ų | 178 | 134.4 Ų | 134.4 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | trans | -45.6 | 122.4 | 178.3 | -172.1 | 175.3 | -163.9 | 0 | 0 | 106.9 | E17 S21 | E17-E19 PolarHBondContact O-N 3.21Å; E19-S21 VanDerWaalsContact C-N 3.34Å; E19-S21 PolarHBondContact O-N 3.32Å | ||
| 20 | P | 70.4 | Confident | 75.9 | Confident | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -57.6 | 107 | -173 | 23.1 | -32.5 | 0 | 0 | 0 | 105.6 | D18 E22 | D18-P20 VanDerWaalsContact O-N 3.08Å; P20-E22 PolarHBondContact O-N 3.39Å | ||
| 21 | S | 68.3 | Low | 74.3 | Confident | 82 Ų | 82 | 133.9 Ų | 133.9 | 57% | 0.573 | 70% | 0.697 | S | S | * | * | trans | -48.1 | 124.5 | 176 | 68.3 | 0 | 0 | 0 | 0 | 104.2 | E19 K23 | E19-S21 VanDerWaalsContact C-N 3.34Å; E19-S21 PolarHBondContact O-N 3.32Å; S21-K23 PolarHBondContact O-N 3.48Å | ||
| 22 | E | 67.6 | Low | 72.5 | Confident | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | trans | -58.5 | 74.3 | 172.5 | -82.6 | -174.9 | 147 | 0 | 0 | 107.3 | P20 P24 | P20-E22 PolarHBondContact O-N 3.39Å; E22-P24 VanDerWaalsContact O-CD 3.26Å; E22-P24 WeakPolarHBondContact O-CD 3.44Å | ||
| 23 | K | 60.1 | Low | 70.6 | Confident | 168 Ų | 168 | 135.3 Ų | 135.3 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | trans | -73.6 | 112.2 | 168.1 | -102.1 | 176.1 | 178.8 | 171.3 | 0 | 101 | S21 E25 | S21-K23 PolarHBondContact O-N 3.48Å; K23-E25 PolarHBondContact O-N 2.96Å; K23-E25 VanDerWaalsContact O-N 3.07Å | ||
| 24 | P | 65.1 | Low | 68.4 | Low | 83 Ų | 83 | 136.7 Ų | 136.7 | 54% | 0.539 | 72% | 0.724 | S | S | . | * | trans | -53.6 | 127.4 | 170.7 | 24.8 | -32.1 | 0 | 0 | 0 | 105.4 | E22 A26 | E22-P24 VanDerWaalsContact O-CD 3.26Å; E22-P24 WeakPolarHBondContact O-CD 3.44Å; P24-A26 PolarHBondContact O-N 3Å | ||
| 25 | E | 63.8 | Low | 66.7 | Low | 199 Ų | 199 | 141 Ų | 141 | 93% | 0.93 | 75% | 0.753 | S | S | * | * | trans | -56.6 | 90.8 | 171.5 | -71.9 | -166.2 | 161.3 | 0 | 0 | 107.3 | K23 S27 | K23-E25 PolarHBondContact O-N 2.96Å; K23-E25 VanDerWaalsContact O-N 3.07Å; E25-S27 PolarHBondContact O-N 3.3Å | ||
| 26 | A | 58.4 | Low | 64.7 | Low | 86 Ų | 86 | 137.5 Ų | 137.5 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -72.2 | 108 | -175 | 0 | 0 | 0 | 0 | 0 | 106.2 | P24 | P24-A26 PolarHBondContact O-N 3Š| ||
| 27 | S | 58.6 | Low | 62.7 | Low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -40.7 | 126.5 | 166.5 | -160.8 | 0 | 0 | 0 | 0 | 110.2 | E25 M29 | E25-S27 PolarHBondContact O-N 3.3Å; S27-M29 PolarHBondContact O-N 3.4Å | ||
| 28 | P | 57.4 | Low | 61.1 | Low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -77.8 | 33.1 | -161.2 | 29.6 | -35.9 | 0 | 0 | 0 | 115.9 | ||
| 29 | M | 61.5 | Low | 59.5 | Low | 168 Ų | 168 | 135.2 Ų | 135.2 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -110.9 | 6.9 | -167.8 | -115.2 | -159.8 | 82.4 | 0 | 0 | 118.4 | S27 | S27-M29 PolarHBondContact O-N 3.4Š|
| 30 | L | 58.2 | Low | 58.2 | Low | 172 Ų | 172 | 133.5 Ų | 133.5 | 90% | 0.901 | 74% | 0.743 | S | S | * | * | trans | -140.1 | 70.4 | 179.4 | -88.5 | 167.4 | 0 | 0 | 0 | 112.9 | ||||
| 31 | L | 57.5 | Low | 57.5 | Low | 134 Ų | 134 | 135.1 Ų | 135.1 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | trans | -95.9 | 29.9 | -176.7 | -141.8 | 106.3 | 0 | 0 | 0 | 114.6 | Y34 | L31-Y34 HydrophobicContact CD2-CE2 4.38Å; L31-Y34 HydrophobicContact CG-CE2 4.48Å | ||
| 32 | M | 56.8 | Low | 57.1 | Low | 180 Ų | 180 | 137.2 Ų | 137.2 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | -127.7 | 27 | -170 | -92.8 | -120.4 | 74.1 | 0 | 0 | 116.3 | ||||
| 33 | S | 56.2 | Low | 57.1 | Low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -135.8 | 69.7 | 169.7 | -165.8 | 0 | 0 | 0 | 0 | 111.7 | C35 | S33-C35 PolarHBondContact O-N 3.16Å; S33-C35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | Y | 49.7 | Very low | 57.6 | Low | 171 Ų | 171 | 130.3 Ų | 130.3 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | trans | -77.8 | 86.7 | 173.6 | -89.4 | -95.9 | 0 | 0 | 0 | 110 | L31 I37 | L31-Y34 HydrophobicContact CD2-CE2 4.38Å; L31-Y34 HydrophobicContact CG-CE2 4.48Å; Y34-I37 HydrophobicContact CD1-CD1 4.12Å | ||
| 35 | C | 52.5 | Low | 58.5 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 86% | 0.858 | 75% | 0.752 | S | S | * | * | trans | -170.6 | 45.4 | 160.3 | -103.6 | 0 | 0 | 0 | 0 | 114.4 | S33 | S33-C35 PolarHBondContact O-N 3.16Å; S33-C35 VanDerWaalsContact O-N 3.15Å | ||
| 36 | S | 51.8 | Low | 59.5 | Low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | trans | -143 | 35.1 | 176.9 | -153.7 | 0 | 0 | 0 | 0 | 114.7 | I38 | S36-I38 PolarHBondContact O-N 3.17Å; S36-I38 VanDerWaalsContact O-N 3.16Å | ||
| 37 | I | 51.3 | Low | 61 | Low | 136 Ų | 136 | 136.2 Ų | 136.2 | 70% | 0.697 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 18.2 | -158.8 | -53.9 | 174.5 | 0 | 0 | 0 | 115 | Y34 | Y34-I37 HydrophobicContact CD1-CD1 4.12Š|
| 38 | I | 55.1 | Low | 62.7 | Low | 131 Ų | 131 | 139.2 Ų | 139.2 | 67% | 0.672 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.7 | 43.8 | -178.2 | -35.5 | 179.1 | 0 | 0 | 0 | 116.2 | S36 | S36-I38 PolarHBondContact O-N 3.17Å; S36-I38 VanDerWaalsContact O-N 3.16Å |
| 39 | T | 50.6 | Low | 64.4 | Low | 107 Ų | 107 | 134.7 Ų | 134.7 | 66% | 0.656 | 72% | 0.718 | S | S | * | * | trans | -140.5 | 4.5 | 175.3 | 50.6 | 0 | 0 | 0 | 0 | 119.3 | L41 | T39-L41 PolarHBondContact O-N 2.98Š| ||
| 40 | D | 52 | Low | 66.1 | Low | 143 Ų | 143 | 130.9 Ų | 130.9 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | trans | -110.6 | 59.4 | -166.1 | -58.3 | -5.9 | 0 | 0 | 0 | 113 | Q42 | D40-Q42 VanDerWaalsContact C-N 3.25Å; D40-Q42 PolarHBondContact O-N 3.16Å; D40-Q42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | L | 55.8 | Low | 68 | Low | 146 Ų | 146 | 128 Ų | 128 | 76% | 0.764 | 69% | 0.688 | S | S | * | * | trans | -64.2 | 102.5 | 141.3 | -93.8 | 154 | 0 | 0 | 0 | 104.3 | T39 V43 | T39-L41 PolarHBondContact O-N 2.98Å; L41-V43 PolarHBondContact O-N 2.74Å | ||
| 42 | Q | 58.6 | Low | 69.9 | Low | 127 Ų | 127 | 127.3 Ų | 127.3 | 59% | 0.593 | 69% | 0.685 | S | S | * | * | trans | -66.5 | 74.9 | -174.9 | -158.8 | 175.8 | 44.2 | 0 | 0 | 109.5 | D40 G44 | D40-Q42 VanDerWaalsContact C-N 3.25Å; D40-Q42 PolarHBondContact O-N 3.16Å; D40-Q42 VanDerWaalsContact O-N 3.1Å; Q42-G44 PolarHBondContact O-N 2.59Å | ||
| 43 | V | 69.1 | Low | 71.8 | Confident | 139 Ų | 139 | 121.1 Ų | 121.1 | 84% | 0.842 | 66% | 0.657 | S | S | * | * | trans | -66.4 | 90.7 | 166.1 | -178.6 | 0 | 0 | 0 | 0 | 104.8 | L41 E45 | L41-V43 PolarHBondContact O-N 2.74Å; V43-E45 PolarHBondContact O-N 3.49Å | ||
| 44 | G | 69.1 | Low | 73.7 | Confident | 58 Ų | 58 | 117.7 Ų | 117.7 | 60% | 0.598 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 135.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q42 F46 | Q42-G44 PolarHBondContact O-N 2.59Å; G44-F46 PolarHBondContact O-N 2.91Å |
| 45 | E | 84.1 | Confident | 76 | Confident | 166 Ų | 166 | 113.5 Ų | 113.5 | 78% | 0.776 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -65 | 135.1 | 166.8 | -165 | 173.5 | -179.2 | 0 | 0 | 107.9 | V43 N47 | V43-E45 PolarHBondContact O-N 3.49Å; E45-N47 PolarHBondContact O-N 2.78Å |
| 46 | F | 85.1 | Confident | 78.1 | Confident | 161 Ų | 161 | 117.9 Ų | 117.9 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 141.5 | 175.6 | 62 | -88.8 | 0 | 0 | 0 | 109.1 | G44 R48 | G44-F46 PolarHBondContact O-N 2.91Å; F46-R48 PolarHBondContact O-N 3.09Å |
| 47 | N | 89.5 | Confident | 80.3 | Confident | 165 Ų | 165 | 121.4 Ų | 121.4 | 88% | 0.882 | 63% | 0.628 | S | S | * | * | trans | -58.6 | 104.8 | 176.1 | -72.4 | -45 | 0 | 0 | 0 | 110.2 | E45 | E45-N47 PolarHBondContact O-N 2.78Š| ||
| 48 | R | 94.6 | Very high | 82.4 | Confident | 167 Ų | 167 | 123.9 Ų | 123.9 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 133 | 179.2 | -177.1 | 177 | 168.6 | 177 | -5.4 | 109.5 | F46 E51 L54 | F46-R48 PolarHBondContact O-N 3.09Å; R48-E51 IonicContact CZ-OE2 2.94Å; R48-E51 IonicContact NH2-OE2 2.78Å; R48-E51 PolarHBondContact NH2-OE2 3.48Å; R48-L54 HydrophobicContact CG-CD1 4.19Å |
| 49 | A | 94.3 | Very high | 84.4 | Confident | 29 Ų | 29 | 123.4 Ų | 123.4 | 24% | 0.24 | 63% | 0.632 | C | S | . | * | P | Polyproline II helix | trans | -63.2 | 147.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V53 L54 | A49-V53 HydrophobicContact CB-CB 4.33Å; A49-V53 HydrophobicContact CB-CG1 4.1Å; A49-L54 HydrophobicContact CB-CD2 4.09Å; A49-L54 HydrophobicContact CB-CG 4.23Å; A49-L54 WeakPolarHBondContact O-CD1 3.15Å |
| 50 | P | 97 | Very high | 86.5 | Confident | 87 Ų | 87 | 125.1 Ų | 125.1 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 152 | 176.9 | 26 | -34 | 0 | 0 | 0 | 111 | D52 V53 L54 | P50-D52 VanDerWaalsContact C-N 3.26Å; P50-D52 PolarHBondContact O-N 3.27Å; P50-V53 HydrophobicContact CG-CB 4.15Å; P50-V53 HydrophobicContact CG-CG2 3.74Å; P50-V53 WeakPolarHBondContact O-CA 3.41Å; P50-V53 WeakPolarHBondContact O-CB 3.22Å; P50-V53 PolarHBondContact O-N 2.93Å; P50-L54 PolarHBondContact O-N 3.31Å; P50-L54 VanDerWaalsContact O-N 3.14Å |
| 51 | E | 96.6 | Very high | 88.5 | Confident | 113 Ų | 113 | 124.9 Ų | 124.9 | 53% | 0.528 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -59.3 | -35.8 | -170.5 | -165.7 | 61.1 | -154.6 | 0 | 0 | 112.8 | R48 V53 L54 A55 | R48-E51 IonicContact CZ-OE2 2.94Å; R48-E51 IonicContact NH2-OE2 2.78Å; R48-E51 PolarHBondContact NH2-OE2 3.48Å; E51-V53 PolarHBondContact O-N 2.94Å; E51-L54 PolarHBondContact O-N 3.47Å; E51-L54 VanDerWaalsContact O-N 3.12Å; E51-A55 WeakPolarHBondContact O-CB 3.44Å; E51-A55 PolarHBondContact O-N 2.79Å |
| 52 | D | 97.1 | Very high | 90.1 | Very high | 119 Ų | 119 | 121.8 Ų | 121.8 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.4 | -34 | 175.1 | -62.3 | -26.3 | 0 | 0 | 0 | 112.9 | P50 R56 | P50-D52 VanDerWaalsContact C-N 3.26Å; P50-D52 PolarHBondContact O-N 3.27Å; D52-R56 WeakPolarHBondContact O-CD 3.36Å; D52-R56 VanDerWaalsContact O-CG 3.27Å; D52-R56 WeakPolarHBondContact O-CG 3.37Å; D52-R56 PolarHBondContact O-N 3.25Å |
| 53 | V | 97.4 | Very high | 91.7 | Very high | 50 Ų | 50 | 126.6 Ų | 126.6 | 30% | 0.303 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -77.8 | -37.6 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | A49 P50 E51 R56 R57 | A49-V53 HydrophobicContact CB-CB 4.33Å; A49-V53 HydrophobicContact CB-CG1 4.1Å; P50-V53 HydrophobicContact CG-CB 4.15Å; P50-V53 HydrophobicContact CG-CG2 3.74Å; P50-V53 WeakPolarHBondContact O-CA 3.41Å; P50-V53 WeakPolarHBondContact O-CB 3.22Å; P50-V53 PolarHBondContact O-N 2.93Å; E51-V53 PolarHBondContact O-N 2.94Å; V53-R56 PolarHBondContact O-N 3.45Å; V53-R57 VanDerWaalsContact CG1-CZ 3.44Å; V53-R57 VanDerWaalsContact CG1-NE 3.34Å; V53-R57 VanDerWaalsContact O-CG 3.26Å; V53-R57 WeakPolarHBondContact O-CG 3.38Å; V53-R57 PolarHBondContact O-N 3.19Å |
| 54 | L | 97.3 | Very high | 92.6 | Very high | 42 Ų | 42 | 130.3 Ų | 130.3 | 22% | 0.22 | 65% | 0.647 | C | S | . | * | H | α-helix | trans | -65.3 | -42.2 | 175.5 | -66.7 | 175.3 | 0 | 0 | 0 | 111.5 | R48 A49 P50 E51 R56 R57 | R48-L54 HydrophobicContact CG-CD1 4.19Å; A49-L54 HydrophobicContact CB-CD2 4.09Å; A49-L54 HydrophobicContact CB-CG 4.23Å; A49-L54 WeakPolarHBondContact O-CD1 3.15Å; P50-L54 PolarHBondContact O-N 3.31Å; P50-L54 VanDerWaalsContact O-N 3.14Å; E51-L54 PolarHBondContact O-N 3.47Å; E51-L54 VanDerWaalsContact O-N 3.12Å; L54-R56 VanDerWaalsContact C-N 3.29Å; L54-R56 PolarHBondContact O-N 3.24Å; L54-R57 PolarHBondContact O-N 2.94Å |
| 55 | A | 97 | Very high | 93.3 | Very high | 83 Ų | 83 | 139.6 Ų | 139.6 | 69% | 0.686 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64.5 | -30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E51 | E51-A55 WeakPolarHBondContact O-CB 3.44Å; E51-A55 PolarHBondContact O-N 2.79Å |
| 56 | R | 97.3 | Very high | 92.8 | Very high | 219 Ų | 219 | 136.7 Ų | 136.7 | 83% | 0.826 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.6 | -20.9 | 178.9 | -69.7 | 174.6 | -170.5 | -169.7 | 4.7 | 113.5 | D52 V53 L54 | D52-R56 WeakPolarHBondContact O-CD 3.36Å; D52-R56 VanDerWaalsContact O-CG 3.27Å; D52-R56 WeakPolarHBondContact O-CG 3.37Å; D52-R56 PolarHBondContact O-N 3.25Å; V53-R56 PolarHBondContact O-N 3.45Å; L54-R56 VanDerWaalsContact C-N 3.29Å; L54-R56 PolarHBondContact O-N 3.24Å |
| 57 | R | 96.7 | Very high | 92 | Very high | 161 Ų | 161 | 134 Ų | 134 | 61% | 0.608 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -87.9 | 138.7 | -176 | -75.6 | 175.2 | 177.9 | -177.7 | 2.2 | 110.8 | V53 L54 I59 | V53-R57 VanDerWaalsContact CG1-CZ 3.44Å; V53-R57 VanDerWaalsContact CG1-NE 3.34Å; V53-R57 VanDerWaalsContact O-CG 3.26Å; V53-R57 WeakPolarHBondContact O-CG 3.38Å; V53-R57 PolarHBondContact O-N 3.19Å; L54-R57 PolarHBondContact O-N 2.94Å; R57-I59 PolarHBondContact O-N 3.29Å |
| 58 | K | 96.9 | Very high | 91.1 | Very high | 188 Ų | 188 | 132.3 Ų | 132.3 | 82% | 0.817 | 64% | 0.643 | S | S | * | * | trans | -77.5 | 103.3 | 172 | -173.1 | 177.3 | -178.3 | 179 | 0 | 109.4 | L60 | K58-L60 HydrophobicContact CG-CD2 4.45Š| ||
| 59 | I | 95.3 | Very high | 89.5 | Confident | 121 Ų | 121 | 135.8 Ų | 135.8 | 62% | 0.621 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -83 | 123 | 175.3 | -56.2 | 173.1 | 0 | 0 | 0 | 108.4 | R57 | R57-I59 PolarHBondContact O-N 3.29Š|
| 60 | L | 95.6 | Very high | 88.1 | Confident | 144 Ų | 144 | 140.8 Ų | 140.8 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 126.9 | 175.5 | -62.1 | 179.5 | 0 | 0 | 0 | 109.7 | K58 | K58-L60 HydrophobicContact CG-CD2 4.45Š|
| 61 | V | 93.5 | Very high | 86.8 | Confident | 137 Ų | 137 | 147.1 Ų | 147.1 | 83% | 0.83 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 118.5 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | R63 | V61-R63 PolarHBondContact O-N 3.07Š|
| 62 | A | 90.6 | Very high | 85.4 | Confident | 82 Ų | 82 | 148.7 Ų | 148.7 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 126.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | R64 | A62-R64 PolarHBondContact O-N 3.02Š|
| 63 | R | 90.7 | Very high | 84.1 | Confident | 228 Ų | 228 | 148.1 Ų | 148.1 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | trans | -64.7 | 104.2 | 175.3 | -176.1 | 178.5 | 178.1 | 179.7 | 0.1 | 108.7 | V61 | V61-R63 PolarHBondContact O-N 3.07Š| ||
| 64 | R | 88.1 | Confident | 82.7 | Confident | 216 Ų | 216 | 155 Ų | 155 | 82% | 0.815 | 73% | 0.73 | S | S | * | * | trans | -68.5 | 134.9 | 172.3 | -65.8 | -176.2 | 176.3 | -178.1 | -1.9 | 108.8 | A62 V66 | A62-R64 PolarHBondContact O-N 3.02Å; R64-V66 HydrophobicContact CB-CG2 4.09Å; R64-V66 PolarHBondContact O-N 2.88Å | ||
| 65 | R | 84.7 | Confident | 81.7 | Confident | 253 Ų | 253 | 158.2 Ų | 158.2 | 96% | 0.955 | 75% | 0.751 | S | S | * | * | trans | -74.6 | 71.8 | 166.1 | -64.2 | -179.1 | -179.3 | 172.9 | -0.3 | 108.1 | ||||
| 66 | V | 73.3 | Confident | 80.7 | Confident | 105 Ų | 105 | 159.3 Ų | 159.3 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -76.4 | 126.2 | 163.6 | -175.9 | 0 | 0 | 0 | 0 | 105.2 | R64 E68 | R64-V66 HydrophobicContact CB-CG2 4.09Å; R64-V66 PolarHBondContact O-N 2.88Å; V66-E68 PolarHBondContact O-N 3.47Å | ||
| 67 | P | 69.1 | Low | 79.7 | Confident | 105 Ų | 105 | 154.1 Ų | 154.1 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -58.5 | 111.3 | 168.7 | 24 | -29.9 | 0 | 0 | 0 | 106.2 | R69 | P67-R69 VanDerWaalsContact C-N 3.28Å; P67-R69 PolarHBondContact O-N 3.09Å | ||
| 68 | E | 70.2 | Confident | 78.8 | Confident | 130 Ų | 130 | 153.8 Ų | 153.8 | 61% | 0.607 | 74% | 0.743 | S | S | * | * | trans | -58.5 | 98.4 | 173.1 | -76.3 | -177 | -179.7 | 0 | 0 | 106.5 | V66 K70 | V66-E68 PolarHBondContact O-N 3.47Å; E68-K70 HydrophobicContact CB-CG 4.47Å; E68-K70 PolarHBondContact O-N 3.36Å; E68-K70 WeakPolarHBondContact OE2-CE 3.09Å; E68-K70 IonicContact OE2-NZ 3.55Å; E68-K70 PolarHBondContact OE2-NZ 3.48Å | ||
| 69 | R | 60.6 | Low | 77.8 | Confident | 239 Ų | 239 | 148.1 Ų | 148.1 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | -69.2 | 71.8 | 165.3 | -71.4 | -173.5 | 178.9 | 158.9 | -1 | 107.3 | P67 | P67-R69 VanDerWaalsContact C-N 3.28Å; P67-R69 PolarHBondContact O-N 3.09Å | ||
| 70 | K | 65.1 | Low | 76.9 | Confident | 134 Ų | 134 | 149.2 Ų | 149.2 | 58% | 0.583 | 74% | 0.739 | S | S | * | * | trans | -65.7 | 132.6 | 155.8 | -72.1 | 177.1 | -177.9 | 157.9 | 0 | 105.2 | E68 E72 | E68-K70 HydrophobicContact CB-CG 4.47Å; E68-K70 PolarHBondContact O-N 3.36Å; E68-K70 WeakPolarHBondContact OE2-CE 3.09Å; E68-K70 IonicContact OE2-NZ 3.55Å; E68-K70 PolarHBondContact OE2-NZ 3.48Å; K70-E72 PolarHBondContact O-N 3.24Å | ||
| 71 | K | 69.1 | Low | 76.1 | Confident | 220 Ų | 220 | 148.2 Ų | 148.2 | 96% | 0.957 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -66 | 42.3 | 169.9 | -73.1 | -179.4 | 171.4 | -177.8 | 0 | 111 | ||
| 72 | E | 66.9 | Low | 75.3 | Confident | 146 Ų | 146 | 151 Ų | 151 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | trans | -81.6 | 137.4 | 165 | -93.2 | -179.6 | 139.7 | 0 | 0 | 107.5 | K70 E74 | K70-E72 PolarHBondContact O-N 3.24Å; E72-E74 PolarHBondContact O-N 2.96Å | ||
| 73 | P | 71.3 | Confident | 74.7 | Confident | 107 Ų | 107 | 149.7 Ų | 149.7 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | trans | -53.2 | 135.3 | 175.2 | 24.4 | -32.7 | 0 | 0 | 0 | 108.1 | V75 | P73-V75 VanDerWaalsContact O-CG2 3.3Å; P73-V75 WeakPolarHBondContact O-CG2 3.41Å; P73-V75 PolarHBondContact O-N 3.34Å | ||
| 74 | E | 67.1 | Low | 73.6 | Confident | 195 Ų | 195 | 146.2 Ų | 146.2 | 91% | 0.911 | 72% | 0.715 | S | S | * | * | trans | -52 | 91.6 | 174.2 | -81.6 | 178.8 | 141.8 | 0 | 0 | 109.1 | E72 N76 | E72-E74 PolarHBondContact O-N 2.96Å; E74-N76 PolarHBondContact O-N 2.9Å | ||
| 75 | V | 76.1 | Confident | 72.5 | Confident | 109 Ų | 109 | 145.9 Ų | 145.9 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | trans | -74.9 | 90.5 | 169.4 | -159.4 | 0 | 0 | 0 | 0 | 104 | P73 | P73-V75 VanDerWaalsContact O-CG2 3.3Å; P73-V75 WeakPolarHBondContact O-CG2 3.41Å; P73-V75 PolarHBondContact O-N 3.34Å | ||
| 76 | N | 77.4 | Confident | 71.5 | Confident | 107 Ų | 107 | 136.7 Ų | 136.7 | 57% | 0.572 | 70% | 0.704 | S | S | * | * | trans | -47 | 118.5 | 177.8 | -145.4 | -12.7 | 0 | 0 | 0 | 107.1 | E74 F78 A79 | E74-N76 PolarHBondContact O-N 2.9Å; N76-F78 PolarHBondContact O-N 3.32Å; N76-A79 HydrophobicContact CB-CB 4.19Å; N76-A79 VanDerWaalsContact O-CB 3.25Å; N76-A79 WeakPolarHBondContact O-CB 3.5Å; N76-A79 PolarHBondContact O-N 2.69Å | ||
| 77 | P | 75.4 | Confident | 71 | Confident | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -17.7 | -171.8 | 22.5 | -32.8 | 0 | 0 | 0 | 112.4 | ||
| 78 | F | 76.9 | Confident | 70.5 | Confident | 153 Ų | 153 | 137.5 Ų | 137.5 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -7.3 | 174.8 | -61 | -77.3 | 0 | 0 | 0 | 114.6 | N76 N80 F81 | N76-F78 PolarHBondContact O-N 3.32Å; F78-N80 PolarHBondContact O-N 3Å; F78-F81 WeakPolarHBondContact O-CB 3.43Å; F78-F81 PolarHBondContact O-N 2.8Å |
| 79 | A | 76.6 | Confident | 69.9 | Low | 70 Ų | 70 | 139.2 Ų | 139.2 | 58% | 0.579 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -28 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N76 | N76-A79 HydrophobicContact CB-CB 4.19Å; N76-A79 VanDerWaalsContact O-CB 3.25Å; N76-A79 WeakPolarHBondContact O-CB 3.5Å; N76-A79 PolarHBondContact O-N 2.69Å |
| 80 | N | 76.5 | Confident | 69.4 | Low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 0.2 | 174.4 | -71.8 | -20.8 | 0 | 0 | 0 | 113.6 | F78 K82 | F78-N80 PolarHBondContact O-N 3Å; N80-K82 VanDerWaalsContact C-N 3.32Å; N80-K82 PolarHBondContact O-N 3.1Å |
| 81 | F | 80 | Confident | 68.6 | Low | 122 Ų | 122 | 132 Ų | 132 | 54% | 0.535 | 71% | 0.711 | S | S | . | * | trans | -79.6 | 82.9 | 175.2 | -160.7 | -93.4 | 0 | 0 | 0 | 109.9 | F78 G83 F84 | F78-F81 WeakPolarHBondContact O-CB 3.43Å; F78-F81 PolarHBondContact O-N 2.8Å; F81-G83 VanDerWaalsContact CE1-CA 3.42Å; F81-G83 PolarHBondContact O-N 3.03Å; F81-F84 AromaticContact CD1-CD2 3.72Å; F81-F84 HydrophobicContact CD1-CD2 3.72Å; F81-F84 HydrophobicContact CD1-CE2 4.21Å; F81-F84 AromaticContact CE1-CD2 3.33Å; F81-F84 HydrophobicContact CE1-CD2 3.33Å; F81-F84 AromaticContact CE1-CE2 3.51Å; F81-F84 HydrophobicContact CE1-CE2 3.51Å; F81-F84 HydrophobicContact CE1-CG 4.32Å; F81-F84 HydrophobicContact CZ-CD2 4.44Å; F81-F84 HydrophobicContact CZ-CE2 4.24Å | ||
| 82 | K | 76.6 | Confident | 67.5 | Low | 196 Ų | 196 | 129 Ų | 129 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 8.1 | 170.5 | -80.9 | -177.4 | 175.2 | 175.9 | 0 | 113.9 | N80 | N80-K82 VanDerWaalsContact C-N 3.32Å; N80-K82 PolarHBondContact O-N 3.1Å |
| 83 | G | 76.3 | Confident | 66.6 | Low | 54 Ų | 54 | 127.9 Ų | 127.9 | 56% | 0.557 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -11.4 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | F81 | F81-G83 VanDerWaalsContact CE1-CA 3.42Å; F81-G83 PolarHBondContact O-N 3.03Å |
| 84 | F | 68.7 | Low | 65.4 | Low | 155 Ų | 155 | 127.2 Ų | 127.2 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | trans | -104.4 | 42.1 | 179.9 | -82.6 | -74.4 | 0 | 0 | 0 | 113.9 | F81 G86 L87 | F81-F84 AromaticContact CD1-CD2 3.72Å; F81-F84 HydrophobicContact CD1-CD2 3.72Å; F81-F84 HydrophobicContact CD1-CE2 4.21Å; F81-F84 AromaticContact CE1-CD2 3.33Å; F81-F84 HydrophobicContact CE1-CD2 3.33Å; F81-F84 AromaticContact CE1-CE2 3.51Å; F81-F84 HydrophobicContact CE1-CE2 3.51Å; F81-F84 HydrophobicContact CE1-CG 4.32Å; F81-F84 HydrophobicContact CZ-CD2 4.44Å; F81-F84 HydrophobicContact CZ-CE2 4.24Å; F84-G86 PolarHBondContact O-N 2.96Å; F84-G86 VanDerWaalsContact O-N 3.09Å; F84-L87 HydrophobicContact CE1-CD1 4.5Å | ||
| 85 | K | 63.9 | Low | 64.3 | Low | 210 Ų | 210 | 123.6 Ų | 123.6 | 91% | 0.913 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 17.1 | 178.2 | -127.5 | -176.6 | -177.2 | -171.3 | 0 | 114.8 | ||
| 86 | G | 64 | Low | 62.9 | Low | 60 Ų | 60 | 126.7 Ų | 126.7 | 62% | 0.619 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | -0.1 | -165 | 0 | 0 | 0 | 0 | 0 | 118.4 | F84 | F84-G86 PolarHBondContact O-N 2.96Å; F84-G86 VanDerWaalsContact O-N 3.09Å |
| 87 | L | 63.5 | Low | 61.5 | Low | 113 Ų | 113 | 125.6 Ų | 125.6 | 59% | 0.592 | 72% | 0.72 | S | S | * | * | trans | -128.2 | 69.5 | -177.9 | -63.6 | 174 | 0 | 0 | 0 | 111.1 | F84 F89 | F84-L87 HydrophobicContact CE1-CD1 4.5Å; L87-F89 VanDerWaalsContact C-N 3.31Å; L87-F89 HydrophobicContact CB-CD2 4.18Å; L87-F89 HydrophobicContact CB-CE2 3.79Å; L87-F89 HydrophobicContact CB-CZ 4.46Å; L87-F89 HydrophobicContact CD1-CE2 4.23Å; L87-F89 HydrophobicContact CD1-CZ 4.43Å; L87-F89 HydrophobicContact CG-CE2 4.46Å; L87-F89 PolarHBondContact O-N 3.43Å; L87-F89 VanDerWaalsContact O-N 3.1Å | ||
| 88 | S | 57.4 | Low | 60.3 | Low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | -69.5 | 93.4 | 155.7 | 44.8 | 0 | 0 | 0 | 0 | 108 | S90 | S88-S90 PolarHBondContact O-N 3.19Š| ||
| 89 | F | 58.4 | Low | 58.7 | Low | 166 Ų | 166 | 127.8 Ų | 127.8 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | trans | -70.8 | 83.5 | 161.4 | -68.2 | -82.9 | 0 | 0 | 0 | 108 | L87 T91 | L87-F89 VanDerWaalsContact C-N 3.31Å; L87-F89 HydrophobicContact CB-CD2 4.18Å; L87-F89 HydrophobicContact CB-CE2 3.79Å; L87-F89 HydrophobicContact CB-CZ 4.46Å; L87-F89 HydrophobicContact CD1-CE2 4.23Å; L87-F89 HydrophobicContact CD1-CZ 4.43Å; L87-F89 HydrophobicContact CG-CE2 4.46Å; L87-F89 PolarHBondContact O-N 3.43Å; L87-F89 VanDerWaalsContact O-N 3.1Å; F89-T91 PolarHBondContact O-N 2.99Å | ||
| 90 | S | 49.4 | Very low | 57.5 | Low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | trans | -73.5 | 102.9 | 150.3 | -81.6 | 0 | 0 | 0 | 0 | 106.1 | S88 | S88-S90 PolarHBondContact O-N 3.19Š| ||
| 91 | T | 48.7 | Very low | 56.2 | Low | 115 Ų | 115 | 128 Ų | 128 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -136.6 | 101.1 | 161 | -35.1 | 0 | 0 | 0 | 0 | 107.1 | F89 S93 | F89-T91 PolarHBondContact O-N 2.99Å; T91-S93 PolarHBondContact O-N 3.31Å | ||
| 92 | D | 45.7 | Very low | 55 | Low | 159 Ų | 159 | 128.4 Ų | 128.4 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | -50.1 | 115.1 | 167 | -60.3 | -52.7 | 0 | 0 | 0 | 108.8 | ||||
| 93 | S | 49.3 | Very low | 53.3 | Low | 121 Ų | 121 | 124.6 Ų | 124.6 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -117.5 | 93.5 | 161.2 | -170.8 | 0 | 0 | 0 | 0 | 107.1 | T91 | T91-S93 PolarHBondContact O-N 3.31Š| ||
| 94 | S | 46 | Very low | 52.7 | Low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | trans | -65 | 139.6 | 173 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 95 | T | 43.9 | Very low | 51.9 | Low | 120 Ų | 120 | 126.2 Ų | 126.2 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | 60.3 | 102.7 | 140.9 | 59.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 96 | L | 47.1 | Very low | 51 | Low | 173 Ų | 173 | 121.9 Ų | 121.9 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | -166.4 | 92.3 | 128.6 | -115.7 | 115.6 | 0 | 0 | 0 | 106.7 | |||||
| 97 | A | 46.3 | Very low | 50 | Low | 84 Ų | 84 | 124.1 Ų | 124.1 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | 73.1 | 101.6 | 101.5 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 98 | K | 50.4 | Low | 49.3 | Very low | 198 Ų | 198 | 122.7 Ų | 122.7 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | 74.1 | 104.5 | 124.8 | -148.1 | 166.6 | -172 | 174.4 | 0 | 116.1 | |||||
| 99 | S | 44.7 | Very low | 48.8 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | 167.4 | 140.3 | 111.3 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 100 | S | 50.4 | Low | 48.7 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 73.1 | 90.4 | 154.5 | -172 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 101 | S | 48.5 | Very low | 48.8 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | 57 | 100 | 87.1 | 173.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 102 | V | 56.3 | Low | 49.2 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | -165.9 | 139 | 114 | -170.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 103 | T | 41.2 | Very low | 49.5 | Very low | 115 Ų | 115 | 128 Ų | 128 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -49.9 | 152.1 | -179.8 | 38.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 104 | P | 63.1 | Low | 49.4 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -125.3 | 134.6 | 135.1 | 35 | -25.2 | 0 | 0 | 0 | 113 | ||||
| 105 | T | 51 | Low | 49.6 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | trans | -99.9 | 147.1 | -175.5 | -46.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 106 | T | 44.8 | Very low | 49.9 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | 76.1 | 98.3 | 151.8 | 38.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 107 | S | 43.8 | Very low | 49.9 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | 51.2 | 119.9 | 113.1 | 66.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 108 | A | 48.8 | Very low | 50 | Low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | -167.8 | 123.6 | 114.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F110 | A108-F110 HydrophobicContact CB-CE2 4.05Š| |||
| 109 | S | 47.6 | Very low | 50.1 | Low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -97.4 | 128.8 | 171.9 | 145.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 110 | F | 55.2 | Low | 50.1 | Low | 196 Ų | 196 | 134.2 Ų | 134.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -121.1 | 110.2 | 163.2 | -68.5 | -77 | 0 | 0 | 0 | 109.1 | A108 | A108-F110 HydrophobicContact CB-CE2 4.05Š| ||
| 111 | K | 51.1 | Low | 49.9 | Very low | 190 Ų | 190 | 133 Ų | 133 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -82.9 | 136.3 | 158.7 | -76.7 | 179 | 170.6 | -177.4 | 0 | 107.7 | ||||
| 112 | S | 58 | Low | 49.6 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -142.6 | 110.9 | 154.3 | 60.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 113 | D | 52 | Low | 48.8 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -69.4 | 152.3 | 167.7 | -83.1 | -49.9 | 0 | 0 | 0 | 111.6 | ||||
| 114 | G | 47.3 | Very low | 49 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 87 | 101.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 115 | H | 50.3 | Low | 47.9 | Very low | 188 Ų | 188 | 135 Ų | 135 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | -153.1 | 136.3 | 127.8 | -147.7 | -78.7 | 0 | 0 | 0 | 112.2 | |||||
| 116 | D | 49.6 | Very low | 47.7 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -66.7 | 150.9 | -174.9 | -81.9 | -51.9 | 0 | 0 | 0 | 115.9 | ||||
| 117 | E | 48.5 | Very low | 47.6 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 60.5 | 126.6 | 133.1 | -70.6 | -154.8 | 147 | 0 | 0 | 122.9 | ||||
| 118 | R | 47.3 | Very low | 47.6 | Very low | 230 Ų | 230 | 136.6 Ų | 136.6 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | 81.6 | 102.1 | 127.1 | -167.8 | 178.1 | -166.8 | -174.8 | 3.2 | 117.7 | |||||
| 119 | S | 53 | Low | 47.1 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | -159.9 | 134.9 | 119.5 | -164.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 120 | T | 45.2 | Very low | 46.8 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -66 | 155.7 | 179.7 | 24.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 121 | A | 45.5 | Very low | 46.5 | Very low | 84 Ų | 84 | 134.6 Ų | 134.6 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | -9 | 138.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 122 | D | 42.3 | Very low | 46.3 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | -161.1 | 139.1 | 109.8 | -103.5 | -30.6 | 0 | 0 | 0 | 114.1 | |||||
| 123 | T | 38.4 | Very low | 45.4 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | -52.6 | 131.8 | 169.4 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 124 | V | 46.7 | Very low | 45.4 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -148.2 | 111.3 | 139.2 | -166.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 125 | T | 39.7 | Very low | 45.1 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -68.4 | 129.5 | 159.7 | -43.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 126 | A | 47 | Very low | 44.8 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -136.7 | 111.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 127 | D | 41.5 | Very low | 44.8 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -61.3 | 172 | 169.2 | -73 | -53.4 | 0 | 0 | 0 | 113.6 | ||||
| 128 | N | 43.7 | Very low | 44.8 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | 101 | 114.6 | 141 | -73.1 | -26.1 | 0 | 0 | 0 | 119.5 | ||||
| 129 | S | 40.3 | Very low | 44.6 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 124.9 | 103.3 | 129.2 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 130 | S | 40.9 | Very low | 44.2 | Very low | 125 Ų | 125 | 125 Ų | 125 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | cis | 49.4 | 88.6 | 43.2 | -169.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 131 | S | 48.4 | Very low | 44.3 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -158.9 | 106.2 | 149.7 | 59.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 132 | K | 45.8 | Very low | 44.7 | Very low | 197 Ų | 197 | 126 Ų | 126 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | 96.4 | 96.5 | 90.5 | -104.3 | -179.3 | 172.9 | 176.4 | 0 | 111.1 | |||||
| 133 | A | 40.3 | Very low | 45.1 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -63.1 | 137.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 134 | S | 52.1 | Low | 45.6 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -138.2 | 101.7 | 163.1 | 53.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 135 | D | 40.3 | Very low | 45.9 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -43.8 | 142.7 | 142 | -93.1 | -46.6 | 0 | 0 | 0 | 110.3 | ||||
| 136 | V | 45.4 | Very low | 46.3 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 87% | 0.873 | 76% | 0.761 | S | S | * | * | -178.7 | 114 | 129.4 | 158.6 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 137 | L | 47.9 | Very low | 46.4 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | -66.7 | -162.7 | 169.3 | -70.8 | 161.1 | 0 | 0 | 0 | 111.9 | ||||
| 138 | P | 49 | Very low | 46.7 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | -130.5 | -172.7 | -72 | 39.8 | -23.1 | 0 | 0 | 0 | 109.9 | |||||
| 139 | S | 43.3 | Very low | 47.1 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 160.8 | 110 | 144.2 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 140 | S | 44.1 | Very low | 47.5 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | 75.1 | 142.9 | 109.5 | 98.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 141 | A | 47.9 | Very low | 48 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | cis | -161.7 | 151.2 | 23.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 142 | E | 54.6 | Low | 47.9 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | 69.2 | 137.4 | 141 | -67.6 | 175.3 | -146.4 | 0 | 0 | 118.1 | ||||
| 143 | K | 49.6 | Very low | 47.9 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | cis | -172.4 | 140.8 | 30.2 | -143.5 | 167.2 | 169.5 | 156.2 | 0 | 111 | ||||
| 144 | E | 49.1 | Very low | 48.2 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | 59.1 | 140.5 | 143.4 | -74.6 | 163.1 | -161.5 | 0 | 0 | 119.9 | ||||
| 145 | S | 52.4 | Low | 48.1 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | cis | -165 | 141.4 | 9.7 | 44.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 146 | D | 48.3 | Very low | 48.7 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | 34.2 | 118.6 | 137.5 | -57 | -38.2 | 0 | 0 | 0 | 121.2 | ||||
| 147 | T | 49.3 | Very low | 49.1 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | -178.9 | 133.5 | 91.1 | 26 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 148 | S | 47.7 | Very low | 49.8 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | -63.6 | 146.8 | -174.6 | 55.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 149 | K | 51.5 | Low | 49.7 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | -179.8 | 141 | 111 | -97.9 | 172.9 | -176.3 | -179.3 | 0 | 111.3 | |||||
| 150 | P | 50.5 | Low | 50 | Low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | trans | -89.6 | 130.3 | -173.9 | 34.8 | -29.5 | 0 | 0 | 0 | 110.5 | ||||
| 151 | F | 49.7 | Very low | 50.5 | Low | 192 Ų | 192 | 135.7 Ų | 135.7 | 84% | 0.842 | 73% | 0.733 | S | S | * | * | trans | -119.1 | 98.8 | 165 | -83 | -79.7 | 0 | 0 | 0 | 109.8 | ||||
| 152 | S | 47.8 | Very low | 50.5 | Low | 92 Ų | 92 | 143.6 Ų | 143.6 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | trans | 18.9 | 109.3 | 135.2 | -172.2 | 0 | 0 | 0 | 0 | 116.2 | V154 | S152-V154 PolarHBondContact O-N 2.99Š| ||
| 153 | S | 44.7 | Very low | 50.4 | Low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -50.8 | 101.9 | 154.9 | 44.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 154 | V | 46.5 | Very low | 50.2 | Low | 99 Ų | 99 | 138.7 Ų | 138.7 | 60% | 0.6 | 75% | 0.749 | S | S | * | * | trans | -103.8 | 109.8 | 163.5 | 178.7 | 0 | 0 | 0 | 0 | 107 | S152 F156 | S152-V154 PolarHBondContact O-N 2.99Å; V154-F156 HydrophobicContact CG1-CD2 3.87Å; V154-F156 HydrophobicContact CG1-CE2 3.93Å; V154-F156 PolarHBondContact O-N 3.34Å; V154-F156 VanDerWaalsContact O-N 3.15Å | ||
| 155 | I | 50.5 | Low | 50.5 | Low | 159 Ų | 159 | 138 Ų | 138 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | trans | -60.6 | 106.7 | 163.8 | -63.3 | 167.4 | 0 | 0 | 0 | 106 | ||||
| 156 | F | 52.3 | Low | 50.2 | Low | 182 Ų | 182 | 139.4 Ų | 139.4 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | -88.4 | 101.3 | 167 | -101.5 | -88.5 | 0 | 0 | 0 | 107.9 | V154 | V154-F156 HydrophobicContact CG1-CD2 3.87Å; V154-F156 HydrophobicContact CG1-CE2 3.93Å; V154-F156 PolarHBondContact O-N 3.34Å; V154-F156 VanDerWaalsContact O-N 3.15Å | ||
| 157 | E | 55.4 | Low | 50.6 | Low | 145 Ų | 145 | 142 Ų | 142 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -62.2 | 128.3 | 155.2 | -78.2 | -166.7 | 150.9 | 0 | 0 | 108.7 | V159 | E157-V159 VanDerWaalsContact C-N 3.26Å; E157-V159 HydrophobicContact CB-CG2 4.32Å; E157-V159 PolarHBondContact O-N 2.92Å | ||
| 158 | P | 61.6 | Low | 50.8 | Low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | trans | -75 | 88.3 | 161.9 | 30.9 | -29.6 | 0 | 0 | 0 | 108 | I160 | P158-I160 HydrophobicContact CB-CG1 4.37Å; P158-I160 PolarHBondContact O-N 3.5Å | ||
| 159 | V | 46 | Very low | 50.6 | Low | 100 Ų | 100 | 143.6 Ų | 143.6 | 61% | 0.606 | 75% | 0.749 | S | S | * | * | trans | -69.7 | 76.6 | 159.5 | -179.8 | 0 | 0 | 0 | 0 | 107.2 | E157 K161 | E157-V159 VanDerWaalsContact C-N 3.26Å; E157-V159 HydrophobicContact CB-CG2 4.32Å; E157-V159 PolarHBondContact O-N 2.92Å; V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 HydrophobicContact CG1-CG 4.05Å; V159-K161 PolarHBondContact O-N 3.48Å; V159-K161 VanDerWaalsContact O-N 3.16Å | ||
| 160 | I | 50.5 | Low | 50.8 | Low | 137 Ų | 137 | 143 Ų | 143 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | trans | -78.8 | 95.5 | 162.6 | -61.5 | 176.4 | 0 | 0 | 0 | 105.5 | P158 R162 | P158-I160 HydrophobicContact CB-CG1 4.37Å; P158-I160 PolarHBondContact O-N 3.5Å; I160-R162 VanDerWaalsContact C-N 3.26Å; I160-R162 PolarHBondContact O-N 3.49Å | ||
| 161 | K | 55.1 | Low | 51 | Low | 185 Ų | 185 | 142.4 Ų | 142.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -57.9 | 95.6 | 160.7 | -66.2 | -179 | 179.7 | 178.5 | 0 | 106.9 | V159 S163 | V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 HydrophobicContact CG1-CG 4.05Å; V159-K161 PolarHBondContact O-N 3.48Å; V159-K161 VanDerWaalsContact O-N 3.16Å; K161-S163 PolarHBondContact O-N 2.94Å; K161-S163 VanDerWaalsContact O-N 3.08Å | ||
| 162 | R | 48.6 | Very low | 50.8 | Low | 236 Ų | 236 | 139 Ų | 139 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | -62.5 | 106.5 | 160.3 | -76.8 | -178.4 | 167.8 | 173.3 | -4.1 | 105.9 | I160 S164 | I160-R162 VanDerWaalsContact C-N 3.26Å; I160-R162 PolarHBondContact O-N 3.49Å; R162-S164 PolarHBondContact O-N 3.21Å | ||
| 163 | S | 50.7 | Low | 51.2 | Low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -55.2 | 125.7 | 164.8 | 40 | 0 | 0 | 0 | 0 | 108 | K161 I165 | K161-S163 PolarHBondContact O-N 2.94Å; K161-S163 VanDerWaalsContact O-N 3.08Å; S163-I165 PolarHBondContact O-N 3.07Å | ||
| 164 | S | 45.8 | Very low | 51.7 | Low | 102 Ų | 102 | 147.7 Ų | 147.7 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -60.4 | 102.6 | 167 | 50.1 | 0 | 0 | 0 | 0 | 108.1 | R162 D166 | R162-S164 PolarHBondContact O-N 3.21Å; S164-D166 PolarHBondContact O-N 3.29Å | ||
| 165 | I | 54.8 | Low | 51.8 | Low | 148 Ų | 148 | 152.2 Ų | 152.2 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -72.6 | 107 | 156.3 | -79.2 | 169.2 | 0 | 0 | 0 | 105.2 | S163 K167 | S163-I165 PolarHBondContact O-N 3.07Å; I165-K167 PolarHBondContact O-N 2.94Å; I165-K167 VanDerWaalsContact O-N 3.1Å | ||
| 166 | D | 47.1 | Very low | 51.6 | Low | 128 Ų | 128 | 154 Ų | 154 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | trans | -48.8 | 110.6 | 171 | -80.5 | -48 | 0 | 0 | 0 | 109.7 | S164 N168 | S164-D166 PolarHBondContact O-N 3.29Å; D166-N168 PolarHBondContact O-N 2.88Å | ||
| 167 | K | 57 | Low | 51.5 | Low | 200 Ų | 200 | 149.2 Ų | 149.2 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -94.1 | 74.5 | 161.9 | -69.6 | -177.1 | 178.9 | -179.6 | 0 | 107.3 | I165 | I165-K167 PolarHBondContact O-N 2.94Å; I165-K167 VanDerWaalsContact O-N 3.1Å | ||
| 168 | N | 52.4 | Low | 50.9 | Low | 122 Ų | 122 | 150.2 Ų | 150.2 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | trans | -102 | 139.1 | 162.4 | -68.4 | -29.5 | 0 | 0 | 0 | 107.9 | D166 | D166-N168 PolarHBondContact O-N 2.88Š| ||
| 169 | D | 44.9 | Very low | 50.5 | Low | 155 Ų | 155 | 151.7 Ų | 151.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | 80.7 | 69 | 165.5 | -48.2 | -29.7 | 0 | 0 | 0 | 118 | ||||
| 170 | I | 54.7 | Low | 50.6 | Low | 167 Ų | 167 | 153.5 Ų | 153.5 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -130.3 | 117.5 | 144.2 | -54.7 | 179 | 0 | 0 | 0 | 108.5 | ||||
| 171 | P | 55.2 | Low | 50.2 | Low | 106 Ų | 106 | 150.3 Ų | 150.3 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | trans | -72.5 | 137.5 | -172.1 | 28.3 | -32.7 | 0 | 0 | 0 | 112.2 | L173 | P171-L173 PolarHBondContact O-N 3.47Š| ||
| 172 | S | 45.3 | Very low | 49.8 | Very low | 121 Ų | 121 | 146 Ų | 146 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -54.3 | 117.5 | 168.4 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 173 | L | 57.3 | Low | 49.8 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -139.7 | 46.4 | 178.4 | -149.4 | 133.2 | 0 | 0 | 0 | 112.7 | P171 | P171-L173 PolarHBondContact O-N 3.47Š| ||
| 174 | W | 54.6 | Low | 50.1 | Low | 249 Ų | 249 | 145.7 Ų | 145.7 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | -146.3 | 67.9 | 179.7 | -51 | 64.3 | 0 | 0 | 0 | 109.6 | ||||
| 175 | K | 48.2 | Very low | 50.5 | Low | 195 Ų | 195 | 149.8 Ų | 149.8 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -137.9 | 143.2 | 157 | -86.8 | -171 | 176.5 | -177.4 | 0 | 107.1 | ||||
| 176 | E | 46.6 | Very low | 50.5 | Low | 197 Ų | 197 | 149 Ų | 149 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | 76.5 | 131.5 | 176 | -64.7 | 174.5 | 156 | 0 | 0 | 114.4 | ||||
| 177 | A | 50.2 | Low | 51.1 | Low | 80 Ų | 80 | 151 Ų | 151 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | cis | -164 | 157.2 | 1.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | I179 | A177-I179 PolarHBondContact O-N 3.35Å; A177-I179 VanDerWaalsContact O-N 3.08Å | ||
| 178 | D | 42.3 | Very low | 51.1 | Low | 167 Ų | 167 | 147.1 Ų | 147.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -44.3 | 106.7 | 159.7 | -72.1 | -53.2 | 0 | 0 | 0 | 111.9 | ||||
| 179 | I | 53.7 | Low | 51.5 | Low | 145 Ų | 145 | 142.7 Ų | 142.7 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | -143.4 | 96.6 | 159.3 | -55 | -178.9 | 0 | 0 | 0 | 109.1 | A177 | A177-I179 PolarHBondContact O-N 3.35Å; A177-I179 VanDerWaalsContact O-N 3.08Å | ||
| 180 | V | 48.7 | Very low | 53 | Low | 138 Ų | 138 | 140.3 Ų | 140.3 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | 33.7 | 108.1 | 126.5 | -173.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 181 | G | 40.9 | Very low | 54.1 | Low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | 63.5 | 108.3 | 127.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 182 | S | 47.4 | Very low | 55.1 | Low | 95 Ų | 95 | 143.2 Ų | 143.2 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | -174.2 | 125.9 | 121.9 | 51.5 | 0 | 0 | 0 | 0 | 109.5 | I184 | S182-I184 VanDerWaalsContact C-N 3.27Å; S182-I184 PolarHBondContact O-N 2.91Å | |||
| 183 | H | 47.6 | Very low | 56.8 | Low | 205 Ų | 205 | 142.5 Ų | 142.5 | 95% | 0.949 | 74% | 0.735 | S | S | * | * | trans | -61.9 | 85.6 | 168.7 | -145.4 | -73.8 | 0 | 0 | 0 | 108.2 | ||||
| 184 | I | 58.3 | Low | 58.3 | Low | 128 Ų | 128 | 142.6 Ų | 142.6 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | trans | -94.3 | 113.2 | 171.8 | -65.7 | 174.6 | 0 | 0 | 0 | 106.6 | S182 E186 | S182-I184 VanDerWaalsContact C-N 3.27Å; S182-I184 PolarHBondContact O-N 2.91Å; I184-E186 PolarHBondContact O-N 3.38Å | ||
| 185 | E | 53.7 | Low | 59.9 | Low | 187 Ų | 187 | 138.3 Ų | 138.3 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | trans | -58 | 87.8 | 168.3 | -152.3 | -179.5 | -168.5 | 0 | 0 | 108.2 | Q187 | E185-Q187 PolarHBondContact O-N 2.72Š| ||
| 186 | E | 55.5 | Low | 61.8 | Low | 132 Ų | 132 | 132.7 Ų | 132.7 | 62% | 0.617 | 70% | 0.695 | S | S | * | * | trans | -67.1 | 106.7 | 177.9 | -88.3 | -161.9 | 157.8 | 0 | 0 | 109.1 | I184 R192 | I184-E186 PolarHBondContact O-N 3.38Å; E186-R192 IonicContact OE2-CZ 3.49Å; E186-R192 IonicContact OE2-NE 2.72Å; E186-R192 IonicContact OE2-NH2 3.52Å; E186-R192 PolarHBondContact OE2-NH2 2.62Å | ||
| 187 | Q | 58.9 | Low | 63.9 | Low | 170 Ų | 170 | 128.5 Ų | 128.5 | 79% | 0.794 | 68% | 0.678 | S | S | * | * | trans | -46.7 | 144.4 | 161.9 | -79.5 | -147.8 | -6.7 | 0 | 0 | 110.9 | E185 G189 | E185-Q187 PolarHBondContact O-N 2.72Å; Q187-G189 PolarHBondContact O-N 2.96Å | ||
| 188 | P | 57.6 | Low | 65.9 | Low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | trans | -67.6 | 80.1 | 173.6 | 29.5 | -33.4 | 0 | 0 | 0 | 109.5 | ||||
| 189 | G | 61 | Low | 68.3 | Low | 30 Ų | 30 | 122.4 Ų | 122.4 | 31% | 0.309 | 63% | 0.631 | S | S | . | * | trans | -82.5 | 152.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q187 R191 R192 | Q187-G189 PolarHBondContact O-N 2.96Å; G189-R191 PolarHBondContact O-N 2.69Å; G189-R192 PolarHBondContact O-N 3.46Å; G189-R192 VanDerWaalsContact O-N 3.16Å | ||
| 190 | P | 75.8 | Confident | 70 | Confident | 104 Ų | 104 | 119.4 Ų | 119.4 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 6.3 | -176.7 | 24.9 | -35.4 | 0 | 0 | 0 | 115.5 | ||
| 191 | R | 76.7 | Confident | 72.2 | Confident | 214 Ų | 214 | 116 Ų | 116 | 81% | 0.808 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -81.5 | -31 | 173.1 | -68.6 | -174.1 | 175 | -179 | -1.5 | 112.6 | G189 | G189-R191 PolarHBondContact O-N 2.69Å |
| 192 | R | 76.4 | Confident | 74.7 | Confident | 121 Ų | 121 | 116.4 Ų | 116.4 | 46% | 0.457 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.3 | -41.3 | 179.2 | -71.6 | -173.1 | -179.7 | 160.9 | -0.9 | 111.1 | E186 G189 K194 R195 V196 | E186-R192 IonicContact OE2-CZ 3.49Å; E186-R192 IonicContact OE2-NE 2.72Å; E186-R192 IonicContact OE2-NH2 3.52Å; E186-R192 PolarHBondContact OE2-NH2 2.62Å; G189-R192 PolarHBondContact O-N 3.46Å; G189-R192 VanDerWaalsContact O-N 3.16Å; R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 2.82Å; R192-R195 PolarHBondContact O-N 2.96Å; R192-V196 WeakPolarHBondContact O-CG2 3.49Å; R192-V196 PolarHBondContact O-N 3.08Å; R192-V196 VanDerWaalsContact O-N 3.09Å |
| 193 | D | 82.6 | Confident | 76.9 | Confident | 105 Ų | 105 | 113.3 Ų | 113.3 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.5 | -40 | -179.6 | -59.5 | -21 | 0 | 0 | 0 | 112.5 | R195 V196 I197 | D193-R195 PolarHBondContact O-N 3.44Å; D193-V196 PolarHBondContact O-N 3.36Å; D193-I197 WeakPolarHBondContact O-CB 3.29Å; D193-I197 WeakPolarHBondContact O-CD1 3.48Å; D193-I197 WeakPolarHBondContact O-CG1 3.48Å; D193-I197 PolarHBondContact O-N 3.31Å |
| 194 | K | 89 | Confident | 79 | Confident | 145 Ų | 145 | 109.9 Ų | 109.9 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.3 | -45 | 178.5 | -67 | -173 | 179.9 | -172 | 0 | 112.4 | R192 I197 E198 | R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 2.82Å; K194-I197 PolarHBondContact O-N 3.25Å; K194-E198 WeakPolarHBondContact O-CG 3.41Å; K194-E198 PolarHBondContact O-N 3.05Å |
| 195 | R | 88 | Confident | 80.7 | Confident | 159 Ų | 159 | 106.5 Ų | 106.5 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.3 | -39.8 | 178.5 | -68 | -173.5 | -176.6 | -177.6 | 1.5 | 111.9 | R192 D193 E198 F199 | R192-R195 PolarHBondContact O-N 2.96Å; D193-R195 PolarHBondContact O-N 3.44Å; R195-E198 PolarHBondContact O-N 3.02Å; R195-F199 VanDerWaalsContact O-CB 3.22Å; R195-F199 WeakPolarHBondContact O-CB 3.49Å; R195-F199 PolarHBondContact O-N 3.21Å |
| 196 | V | 87.6 | Confident | 82.6 | Confident | 76 Ų | 76 | 98.6 Ų | 98.6 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | R192 D193 F199 V200 | R192-V196 WeakPolarHBondContact O-CG2 3.49Å; R192-V196 PolarHBondContact O-N 3.08Å; R192-V196 VanDerWaalsContact O-N 3.09Å; D193-V196 PolarHBondContact O-N 3.36Å; V196-F199 PolarHBondContact O-N 2.97Å; V196-V200 HydrophobicContact CG1-CG2 4.29Å; V196-V200 WeakPolarHBondContact O-CB 3.41Å; V196-V200 VanDerWaalsContact O-CG2 3.23Å; V196-V200 WeakPolarHBondContact O-CG2 3.49Å; V196-V200 PolarHBondContact O-N 3.29Å |
| 197 | I | 89.9 | Confident | 84.4 | Confident | 110 Ų | 110 | 95.1 Ų | 95.1 | 56% | 0.564 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63 | -45.6 | 176.8 | -68.2 | 162.6 | 0 | 0 | 0 | 110.8 | D193 K194 V200 S201 | D193-I197 WeakPolarHBondContact O-CB 3.29Å; D193-I197 WeakPolarHBondContact O-CD1 3.48Å; D193-I197 WeakPolarHBondContact O-CG1 3.48Å; D193-I197 PolarHBondContact O-N 3.31Å; K194-I197 PolarHBondContact O-N 3.25Å; I197-V200 PolarHBondContact O-N 3.37Å; I197-S201 WeakPolarHBondContact O-CB 3.23Å; I197-S201 PolarHBondContact O-N 3.19Å; I197-S201 PolarHBondContact O-OG 3Å |
| 198 | E | 92.8 | Very high | 85.9 | Confident | 111 Ų | 111 | 88.6 Ų | 88.6 | 52% | 0.519 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 176.5 | -74.8 | 173.5 | -169.1 | 0 | 0 | 111.8 | K194 R195 S201 K202 | K194-E198 WeakPolarHBondContact O-CG 3.41Å; K194-E198 PolarHBondContact O-N 3.05Å; R195-E198 PolarHBondContact O-N 3.02Å; E198-S201 WeakPolarHBondContact O-CB 3.4Å; E198-S201 PolarHBondContact O-N 3.44Å; E198-K202 WeakPolarHBondContact O-CG 3.4Å; E198-K202 PolarHBondContact O-N 3.02Å |
| 199 | F | 91.7 | Very high | 87.6 | Confident | 8 Ų | 8 | 88 Ų | 88 | 4% | 0.035 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 176.2 | 175.1 | -110 | 0 | 0 | 0 | 112.4 | R195 V196 S201 K202 I203 L240 Q241 H244 I246 L252 | R195-F199 VanDerWaalsContact O-CB 3.22Å; R195-F199 WeakPolarHBondContact O-CB 3.49Å; R195-F199 PolarHBondContact O-N 3.21Å; V196-F199 PolarHBondContact O-N 2.97Å; F199-S201 PolarHBondContact O-N 3.49Å; F199-K202 PolarHBondContact O-N 3.47Å; F199-I203 HydrophobicContact CD1-CD1 3.81Å; F199-I203 HydrophobicContact CD2-CD1 4.2Å; F199-I203 HydrophobicContact CD2-CG1 4.5Å; F199-I203 HydrophobicContact CE1-CD1 3.24Å; F199-I203 HydrophobicContact CE1-CG1 4.41Å; F199-I203 HydrophobicContact CE2-CD1 3.67Å; F199-I203 HydrophobicContact CE2-CG1 4.2Å; F199-I203 HydrophobicContact CG-CD1 4.28Å; F199-I203 HydrophobicContact CZ-CD1 3.19Å; F199-I203 HydrophobicContact CZ-CG1 4.2Å; F199-I203 WeakPolarHBondContact O-CG1 3.36Å; F199-I203 PolarHBondContact O-N 2.93Å; F199-L240 HydrophobicContact CE2-CB 4.26Å; F199-Q241 HydrophobicContact CE2-CG 3.96Å; F199-Q241 HydrophobicContact CZ-CG 3.79Å; F199-H244 HydrophobicContact CB-CB 4.24Å; F199-H244 HydrophobicContact CD2-CB 4.01Å; F199-H244 AromaticContact CD2-CG 3.76Å; F199-H244 AromaticContact CD2-ND1 3.66Å; F199-H244 HydrophobicContact CG-CB 4.39Å; F199-I246 HydrophobicContact CB-CD1 4.09Å; F199-I246 HydrophobicContact CD1-CD1 3.19Å; F199-I246 HydrophobicContact CD2-CD1 3.75Å; F199-I246 HydrophobicContact CE1-CD1 3.27Å; F199-I246 HydrophobicContact CE2-CD1 3.83Å; F199-I246 HydrophobicContact CG-CD1 3.4Å; F199-I246 VanDerWaalsContact CG-CD1 3.4Å; F199-I246 HydrophobicContact CZ-CD1 3.57Å; F199-L252 HydrophobicContact CE1-CD1 4.39Å |
| 200 | V | 90.7 | Very high | 89.1 | Confident | 82 Ų | 82 | 88 Ų | 88 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.5 | -37.2 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | V196 I197 K204 | V196-V200 HydrophobicContact CG1-CG2 4.29Å; V196-V200 WeakPolarHBondContact O-CB 3.41Å; V196-V200 VanDerWaalsContact O-CG2 3.23Å; V196-V200 WeakPolarHBondContact O-CG2 3.49Å; V196-V200 PolarHBondContact O-N 3.29Å; I197-V200 PolarHBondContact O-N 3.37Å; V200-K204 WeakPolarHBondContact O-CB 3.28Å; V200-K204 PolarHBondContact O-N 2.93Å |
| 201 | S | 94.4 | Very high | 89.8 | Confident | 67 Ų | 67 | 86.8 Ų | 86.8 | 47% | 0.469 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 176.7 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | I197 E198 F199 K204 A205 | I197-S201 WeakPolarHBondContact O-CB 3.23Å; I197-S201 PolarHBondContact O-N 3.19Å; I197-S201 PolarHBondContact O-OG 3Å; E198-S201 WeakPolarHBondContact O-CB 3.4Å; E198-S201 PolarHBondContact O-N 3.44Å; F199-S201 PolarHBondContact O-N 3.49Å; S201-K204 PolarHBondContact O-N 3.45Å; S201-A205 PolarHBondContact O-N 3.21Å |
| 202 | K | 94.1 | Very high | 90.6 | Very high | 77 Ų | 77 | 82.6 Ų | 82.6 | 34% | 0.335 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 175.6 | -75.7 | 176.9 | 175 | 179.5 | 0 | 112.2 | E198 F199 K204 A205 L206 L240 E243 H244 | E198-K202 WeakPolarHBondContact O-CG 3.4Å; E198-K202 PolarHBondContact O-N 3.02Å; F199-K202 PolarHBondContact O-N 3.47Å; K202-K204 VanDerWaalsContact C-N 3.34Å; K202-K204 PolarHBondContact O-N 3.35Å; K202-A205 PolarHBondContact O-N 2.82Å; K202-L206 WeakPolarHBondContact O-CB 3.41Å; K202-L206 PolarHBondContact O-N 2.54Å; K202-L240 HydrophobicContact CB-CD1 4.48Å; K202-L240 HydrophobicContact CB-CD2 4.16Å; K202-L240 HydrophobicContact CD-CD2 3.84Å; K202-E243 IonicContact NZ-OE1 2.92Å; K202-E243 PolarHBondContact NZ-OE1 2.98Å; K202-E243 IonicContact NZ-OE2 2.96Å; K202-E243 PolarHBondContact NZ-OE2 2.71Å; K202-H244 VanDerWaalsContact CD-CE1 3.44Å; K202-H244 WeakPolarHBondContact CD-CE1 3.48Å; K202-H244 PolarHBondContact NZ-CE1 3.07Å; K202-H244 PolarHBondContact NZ-NE2 2.54Å |
| 203 | I | 92.6 | Very high | 91.4 | Very high | 31 Ų | 31 | 80.8 Ų | 80.8 | 16% | 0.159 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 174.8 | -72.2 | 177 | 0 | 0 | 0 | 110.8 | F199 A205 L206 N207 M237 | F199-I203 HydrophobicContact CD1-CD1 3.81Å; F199-I203 HydrophobicContact CD2-CD1 4.2Å; F199-I203 HydrophobicContact CD2-CG1 4.5Å; F199-I203 HydrophobicContact CE1-CD1 3.24Å; F199-I203 HydrophobicContact CE1-CG1 4.41Å; F199-I203 HydrophobicContact CE2-CD1 3.67Å; F199-I203 HydrophobicContact CE2-CG1 4.2Å; F199-I203 HydrophobicContact CG-CD1 4.28Å; F199-I203 HydrophobicContact CZ-CD1 3.19Å; F199-I203 HydrophobicContact CZ-CG1 4.2Å; F199-I203 WeakPolarHBondContact O-CG1 3.36Å; F199-I203 PolarHBondContact O-N 2.93Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 2.96Å; I203-L206 PolarHBondContact O-N 3.31Å; I203-N207 WeakPolarHBondContact O-CB 3.35Å; I203-N207 PolarHBondContact O-N 2.87Å; I203-N207 PolarHBondContact O-OD1 3.33Å; I203-M237 HydrophobicContact CD1-CE 3.75Å; I203-M237 HydrophobicContact CD1-SD 4.48Å; I203-M237 HydrophobicContact CG1-CE 3.94Å; I203-M237 HydrophobicContact CG1-SD 4.01Å; I203-M237 HydrophobicContact CG2-CE 4.4Å; I203-M237 HydrophobicContact CG2-SD 4.43Å |
| 204 | K | 92.9 | Very high | 91.8 | Very high | 133 Ų | 133 | 77.8 Ų | 77.8 | 58% | 0.578 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | -179.4 | -172.1 | 179.6 | 178.5 | -176 | 0 | 111.5 | V200 S201 K202 G208 | V200-K204 WeakPolarHBondContact O-CB 3.28Å; V200-K204 PolarHBondContact O-N 2.93Å; S201-K204 PolarHBondContact O-N 3.45Å; K202-K204 VanDerWaalsContact C-N 3.34Å; K202-K204 PolarHBondContact O-N 3.35Å; K204-G208 PolarHBondContact O-N 2.61Å |
| 205 | A | 93.4 | Very high | 91.9 | Very high | 56 Ų | 56 | 77 Ų | 77 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S201 K202 I203 N207 G208 D209 | S201-A205 PolarHBondContact O-N 3.21Å; K202-A205 PolarHBondContact O-N 2.82Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 2.96Å; A205-N207 VanDerWaalsContact C-N 3.32Å; A205-N207 PolarHBondContact O-N 2.99Å; A205-G208 PolarHBondContact O-N 3.3Å; A205-G208 VanDerWaalsContact O-N 3.11Å; A205-D209 PolarHBondContact O-N 3.01Å |
| 206 | L | 93 | Very high | 92.2 | Very high | 22 Ų | 22 | 76 Ų | 76 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.1 | -42 | 178.4 | -178.5 | 61.6 | 0 | 0 | 0 | 112.4 | K202 I203 G208 D209 F210 Y233 H236 M237 L240 | K202-L206 WeakPolarHBondContact O-CB 3.41Å; K202-L206 PolarHBondContact O-N 2.54Å; I203-L206 PolarHBondContact O-N 3.31Å; L206-G208 VanDerWaalsContact C-N 3.34Å; L206-D209 PolarHBondContact O-N 2.85Å; L206-F210 VanDerWaalsContact O-CB 3.28Å; L206-F210 WeakPolarHBondContact O-CB 3.36Å; L206-F210 PolarHBondContact O-N 2.94Å; L206-Y233 HydrophobicContact CD2-CD2 4.3Å; L206-Y233 HydrophobicContact CD2-CE2 4.06Å; L206-Y233 HydrophobicContact CG-CD2 4.15Å; L206-Y233 HydrophobicContact CG-CE2 3.89Å; L206-H236 VanDerWaalsContact CD1-ND1 3.29Å; L206-H236 WeakPolarHBondContact CD1-ND1 3.4Å; L206-H236 HydrophobicContact CD2-CB 4.24Å; L206-M237 HydrophobicContact CD2-CG 4.07Å; L206-M237 HydrophobicContact CD2-SD 3.8Å; L206-L240 HydrophobicContact CD2-CD1 3.74Å |
| 207 | N | 93.1 | Very high | 92.4 | Very high | 59 Ų | 59 | 73.4 Ų | 73.4 | 32% | 0.316 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 177.2 | -69.4 | -3.9 | 0 | 0 | 0 | 111.8 | I203 A205 V211 Y233 | I203-N207 WeakPolarHBondContact O-CB 3.35Å; I203-N207 PolarHBondContact O-N 2.87Å; I203-N207 PolarHBondContact O-OD1 3.33Å; A205-N207 VanDerWaalsContact C-N 3.32Å; A205-N207 PolarHBondContact O-N 2.99Å; N207-V211 WeakPolarHBondContact O-CB 3.23Å; N207-V211 WeakPolarHBondContact O-CG2 3.34Å; N207-V211 PolarHBondContact O-N 3.5Å; N207-Y233 WeakPolarHBondContact OD1-CE2 3.06Å; N207-Y233 PolarHBondContact OD1-OH 3.49Å |
| 208 | G | 91.4 | Very high | 92.4 | Very high | 33 Ų | 33 | 73.8 Ų | 73.8 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -55.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K204 A205 L206 F210 V211 E212 | K204-G208 PolarHBondContact O-N 2.61Å; A205-G208 PolarHBondContact O-N 3.3Å; A205-G208 VanDerWaalsContact O-N 3.11Å; L206-G208 VanDerWaalsContact C-N 3.34Å; G208-F210 VanDerWaalsContact C-N 3.29Å; G208-F210 PolarHBondContact O-N 2.88Å; G208-V211 PolarHBondContact O-N 3.43Å; G208-E212 WeakPolarHBondContact O-CG 3.47Å; G208-E212 PolarHBondContact O-N 2.75Å |
| 209 | D | 92 | Very high | 92.4 | Very high | 106 Ų | 106 | 75.8 Ų | 75.8 | 57% | 0.567 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -58.1 | -41.8 | -179.5 | -67.4 | -12.1 | 0 | 0 | 0 | 111.8 | A205 L206 H213 | A205-D209 PolarHBondContact O-N 3.01Å; L206-D209 PolarHBondContact O-N 2.85Å; D209-H213 VanDerWaalsContact O-CB 3.32Å; D209-H213 WeakPolarHBondContact O-CB 3.25Å; D209-H213 PolarHBondContact O-N 3.16Å |
| 210 | F | 93 | Very high | 92.5 | Very high | 30 Ų | 30 | 82 Ų | 82 | 13% | 0.132 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.7 | -41.4 | 180 | -172.3 | -113.6 | 0 | 0 | 0 | 112.7 | L206 G208 H213 I214 N229 F230 Y233 | L206-F210 VanDerWaalsContact O-CB 3.28Å; L206-F210 WeakPolarHBondContact O-CB 3.36Å; L206-F210 PolarHBondContact O-N 2.94Å; G208-F210 VanDerWaalsContact C-N 3.29Å; G208-F210 PolarHBondContact O-N 2.88Å; F210-H213 PolarHBondContact O-N 3.08Å; F210-I214 HydrophobicContact CD1-CD1 3.73Å; F210-I214 HydrophobicContact CE1-CD1 3.27Å; F210-I214 HydrophobicContact CE1-CG1 4.24Å; F210-I214 HydrophobicContact CE2-CD1 4.3Å; F210-I214 HydrophobicContact CE2-CG1 4.49Å; F210-I214 HydrophobicContact CG-CD1 4.43Å; F210-I214 HydrophobicContact CZ-CD1 3.59Å; F210-I214 HydrophobicContact CZ-CG1 4.22Å; F210-I214 WeakPolarHBondContact O-CG1 3.42Å; F210-I214 PolarHBondContact O-N 2.93Å; F210-N229 HydrophobicContact CE2-CB 4.07Å; F210-N229 WeakPolarHBondContact CE2-O 3.34Å; F210-F230 AromaticContact CE1-CD1 3.71Å; F210-F230 HydrophobicContact CE1-CD1 3.71Å; F210-F230 AromaticContact CE1-CE1 3.54Å; F210-F230 HydrophobicContact CE1-CE1 3.54Å; F210-F230 HydrophobicContact CE1-CZ 4.39Å; F210-F230 AromaticContact CZ-CD1 3.56Å; F210-F230 HydrophobicContact CZ-CD1 3.56Å; F210-F230 AromaticContact CZ-CE1 3.75Å; F210-F230 HydrophobicContact CZ-CE1 3.75Å; F210-F230 HydrophobicContact CZ-CG 4.14Å; F210-F230 HydrophobicContact CZ-CZ 4.45Å; F210-Y233 HydrophobicContact CB-CD2 3.92Å; F210-Y233 HydrophobicContact CB-CE2 4.17Å; F210-Y233 AromaticContact CD1-CD2 3.83Å; F210-Y233 HydrophobicContact CD1-CD2 3.83Å; F210-Y233 HydrophobicContact CD1-CE2 4.15Å; F210-Y233 HydrophobicContact CD1-CG 4.19Å; F210-Y233 AromaticContact CD2-CD2 3.94Å; F210-Y233 HydrophobicContact CD2-CD2 3.94Å; F210-Y233 HydrophobicContact CD2-CG 4.26Å; F210-Y233 HydrophobicContact CE1-CD2 4.28Å; F210-Y233 HydrophobicContact CE1-CG 4.16Å; F210-Y233 HydrophobicContact CE2-CD2 4.4Å; F210-Y233 HydrophobicContact CE2-CG 4.26Å; F210-Y233 AromaticContact CG-CD2 3.63Å; F210-Y233 HydrophobicContact CG-CD2 3.63Å; F210-Y233 HydrophobicContact CG-CE2 4.18Å; F210-Y233 HydrophobicContact CG-CG 4.23Å; F210-Y233 HydrophobicContact CZ-CG 4.21Å |
| 211 | V | 90.5 | Very high | 92.6 | Very high | 77 Ų | 77 | 81.5 Ų | 81.5 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.2 | 168.7 | 0 | 0 | 0 | 0 | 111 | N207 G208 H213 I214 R215 | N207-V211 WeakPolarHBondContact O-CB 3.23Å; N207-V211 WeakPolarHBondContact O-CG2 3.34Å; N207-V211 PolarHBondContact O-N 3.5Å; G208-V211 PolarHBondContact O-N 3.43Å; V211-H213 VanDerWaalsContact C-N 3.34Å; V211-I214 PolarHBondContact O-N 3.03Å; V211-R215 WeakPolarHBondContact O-CB 3.37Å; V211-R215 PolarHBondContact O-N 2.99Å |
| 212 | E | 93.3 | Very high | 92.4 | Very high | 127 Ų | 127 | 81.8 Ų | 81.8 | 59% | 0.593 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.7 | -42 | 174.6 | -72.7 | -173.6 | -178.3 | 0 | 0 | 111.9 | G208 R215 K216 | G208-E212 WeakPolarHBondContact O-CG 3.47Å; G208-E212 PolarHBondContact O-N 2.75Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-K216 WeakPolarHBondContact O-CB 3.48Å; E212-K216 PolarHBondContact O-N 2.9Å |
| 213 | H | 93 | Very high | 92.3 | Very high | 83 Ų | 83 | 86.9 Ų | 86.9 | 38% | 0.384 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 175.6 | -176.6 | 78.7 | 0 | 0 | 0 | 112 | D209 F210 V211 R215 K216 C217 N229 | D209-H213 VanDerWaalsContact O-CB 3.32Å; D209-H213 WeakPolarHBondContact O-CB 3.25Å; D209-H213 PolarHBondContact O-N 3.16Å; F210-H213 PolarHBondContact O-N 3.08Å; V211-H213 VanDerWaalsContact C-N 3.34Å; H213-R215 VanDerWaalsContact C-N 3.32Å; H213-R215 PolarHBondContact O-N 3.11Å; H213-K216 PolarHBondContact O-N 3.33Å; H213-C217 WeakPolarHBondContact O-CB 3.2Å; H213-C217 PolarHBondContact O-N 3.06Å; H213-C217 PolarHBondContact O-SG 2.68Å; H213-C217 VanDerWaalsContact O-SG 3.4Å; H213-N229 PolarHBondContact CD2-ND2 3.25Å; H213-N229 PolarHBondContact NE2-ND2 3.23Å |
| 214 | I | 91.9 | Very high | 92.2 | Very high | 42 Ų | 42 | 88.1 Ų | 88.1 | 22% | 0.215 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 175.9 | -71.7 | 173.9 | 0 | 0 | 0 | 110.5 | F210 V211 K216 C217 F218 F226 F230 | F210-I214 HydrophobicContact CD1-CD1 3.73Å; F210-I214 HydrophobicContact CE1-CD1 3.27Å; F210-I214 HydrophobicContact CE1-CG1 4.24Å; F210-I214 HydrophobicContact CE2-CD1 4.3Å; F210-I214 HydrophobicContact CE2-CG1 4.49Å; F210-I214 HydrophobicContact CG-CD1 4.43Å; F210-I214 HydrophobicContact CZ-CD1 3.59Å; F210-I214 HydrophobicContact CZ-CG1 4.22Å; F210-I214 WeakPolarHBondContact O-CG1 3.42Å; F210-I214 PolarHBondContact O-N 2.93Å; V211-I214 PolarHBondContact O-N 3.03Å; I214-K216 VanDerWaalsContact C-N 3.33Å; I214-K216 PolarHBondContact O-N 3.31Å; I214-C217 PolarHBondContact O-N 3.4Å; I214-F218 WeakPolarHBondContact O-CB 3.17Å; I214-F218 PolarHBondContact O-N 2.93Å; I214-F226 HydrophobicContact CB-CE1 4.3Å; I214-F226 HydrophobicContact CG1-CD1 4.12Å; I214-F226 HydrophobicContact CG1-CE1 4.15Å; I214-F226 HydrophobicContact CG2-CE1 4.08Å; I214-F226 HydrophobicContact CG2-CZ 4.15Å; I214-F230 HydrophobicContact CD1-CE1 4.18Å; I214-F230 HydrophobicContact CD1-CZ 3.97Å |
| 215 | R | 90.7 | Very high | 92.2 | Very high | 128 Ų | 128 | 87.3 Ų | 87.3 | 48% | 0.483 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 178.9 | -173.8 | -175.7 | -68.9 | 157.3 | -2.7 | 111.1 | V211 E212 H213 F218 Q219 | V211-R215 WeakPolarHBondContact O-CB 3.37Å; V211-R215 PolarHBondContact O-N 2.99Å; E212-R215 PolarHBondContact O-N 2.98Å; H213-R215 VanDerWaalsContact C-N 3.32Å; H213-R215 PolarHBondContact O-N 3.11Å; R215-F218 PolarHBondContact O-N 2.75Å; R215-Q219 WeakPolarHBondContact O-CG 3.32Å; R215-Q219 PolarHBondContact O-N 2.66Å |
| 216 | K | 94.3 | Very high | 92.2 | Very high | 139 Ų | 139 | 86 Ų | 86 | 60% | 0.604 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.1 | -45.4 | 177.2 | -173.3 | 176.5 | -177.9 | 176.1 | 0 | 111.9 | E212 H213 I214 F218 Q219 L220 | E212-K216 WeakPolarHBondContact O-CB 3.48Å; E212-K216 PolarHBondContact O-N 2.9Å; H213-K216 PolarHBondContact O-N 3.33Å; I214-K216 VanDerWaalsContact C-N 3.33Å; I214-K216 PolarHBondContact O-N 3.31Å; K216-F218 PolarHBondContact O-N 3.05Å; K216-Q219 PolarHBondContact O-N 3.35Å; K216-L220 HydrophobicContact CG-CD1 4.45Å; K216-L220 WeakPolarHBondContact O-CG 3.4Å; K216-L220 PolarHBondContact O-N 2.98Å |
| 217 | C | 92.1 | Very high | 92 | Very high | 20 Ų | 20 | 91.4 Ų | 91.4 | 14% | 0.135 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 175.4 | -74.1 | 0 | 0 | 0 | 0 | 111.8 | H213 I214 Q219 L220 N221 I224 F226 | H213-C217 WeakPolarHBondContact O-CB 3.2Å; H213-C217 PolarHBondContact O-N 3.06Å; H213-C217 PolarHBondContact O-SG 2.68Å; H213-C217 VanDerWaalsContact O-SG 3.4Å; I214-C217 PolarHBondContact O-N 3.4Å; C217-Q219 VanDerWaalsContact C-N 3.34Å; C217-Q219 PolarHBondContact O-N 2.77Å; C217-L220 PolarHBondContact O-N 2.86Å; C217-L220 VanDerWaalsContact O-N 3.12Å; C217-N221 PolarHBondContact O-N 3.4Å; C217-I224 HydrophobicContact CB-CD1 3.97Å; C217-I224 WeakPolarHBondContact O-CD1 3.34Å; C217-F226 HydrophobicContact CB-CE1 3.47Å; C217-F226 VanDerWaalsContact CB-CE1 3.47Å; C217-F226 HydrophobicContact CB-CZ 3.73Å |
| 218 | F | 90.7 | Very high | 92 | Very high | 119 Ų | 119 | 91.8 Ų | 91.8 | 52% | 0.522 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | -179.6 | -158.4 | -95 | 0 | 0 | 0 | 112.7 | I214 R215 K216 L220 N221 P222 F226 | I214-F218 WeakPolarHBondContact O-CB 3.17Å; I214-F218 PolarHBondContact O-N 2.93Å; R215-F218 PolarHBondContact O-N 2.75Å; K216-F218 PolarHBondContact O-N 3.05Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-N221 CarbonylContact O-C 3.6Å; F218-P222 HydrophobicContact CE1-CB 4.32Å; F218-P222 HydrophobicContact CE2-CB 4.34Å; F218-P222 HydrophobicContact CZ-CB 4.1Å; F218-F226 HydrophobicContact CD2-CE2 4.21Å; F218-F226 HydrophobicContact CD2-CZ 4.48Å |
| 219 | Q | 92.1 | Very high | 92 | Very high | 153 Ų | 153 | 92 Ų | 92 | 72% | 0.715 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65 | -35 | 172.6 | -73.7 | 175.5 | 0.9 | 0 | 0 | 112.6 | R215 K216 C217 | R215-Q219 WeakPolarHBondContact O-CG 3.32Å; R215-Q219 PolarHBondContact O-N 2.66Å; K216-Q219 PolarHBondContact O-N 3.35Å; C217-Q219 VanDerWaalsContact C-N 3.34Å; C217-Q219 PolarHBondContact O-N 2.77Å |
| 220 | L | 93.7 | Very high | 92 | Very high | 138 Ų | 138 | 91.3 Ų | 91.3 | 72% | 0.723 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -77.6 | -42.5 | 179.4 | -68.4 | 171.6 | 0 | 0 | 0 | 112.3 | K216 C217 F218 | K216-L220 HydrophobicContact CG-CD1 4.45Å; K216-L220 WeakPolarHBondContact O-CG 3.4Å; K216-L220 PolarHBondContact O-N 2.98Å; C217-L220 PolarHBondContact O-N 2.86Å; C217-L220 VanDerWaalsContact O-N 3.12Å; F218-L220 VanDerWaalsContact C-N 3.32Å |
| 221 | N | 92.3 | Very high | 92 | Very high | 72 Ų | 72 | 93.6 Ų | 93.6 | 39% | 0.385 | 46% | 0.457 | S | S | . | . | trans | -155.7 | 115 | 176.9 | 178 | -2.1 | 0 | 0 | 0 | 111.2 | C217 F218 F223 I224 | C217-N221 PolarHBondContact O-N 3.4Å; F218-N221 CarbonylContact O-C 3.6Å; N221-F223 PolarHBondContact O-N 3.39Å; N221-F223 VanDerWaalsContact O-N 3.16Å; N221-F223 PolarHBondContact OD1-N 3.28Å; N221-I224 HydrophobicContact CB-CD1 3.8Å; N221-I224 HydrophobicContact CB-CG1 3.71Å; N221-I224 WeakPolarHBondContact O-CG1 3.37Å; N221-I224 PolarHBondContact O-N 2.92Å | ||
| 222 | P | 90.7 | Very high | 92.1 | Very high | 72 Ų | 72 | 95 Ų | 95 | 47% | 0.468 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.5 | -177.5 | 29.2 | -35.2 | 0 | 0 | 0 | 113.9 | F218 | F218-P222 HydrophobicContact CE1-CB 4.32Å; F218-P222 HydrophobicContact CE2-CB 4.34Å; F218-P222 HydrophobicContact CZ-CB 4.1Å |
| 223 | F | 92.2 | Very high | 92 | Very high | 184 Ų | 184 | 90.9 Ų | 90.9 | 81% | 0.807 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 17.2 | -179.7 | -56 | -72.9 | 0 | 0 | 0 | 113.1 | N221 | N221-F223 PolarHBondContact O-N 3.39Å; N221-F223 VanDerWaalsContact O-N 3.16Å; N221-F223 PolarHBondContact OD1-N 3.28Å |
| 224 | I | 91 | Very high | 91.9 | Very high | 58 Ų | 58 | 90.3 Ų | 90.3 | 30% | 0.297 | 44% | 0.441 | S | S | . | . | trans | -66.8 | 133.6 | 175.2 | -69.6 | 170.8 | 0 | 0 | 0 | 110.1 | C217 N221 F226 | C217-I224 HydrophobicContact CB-CD1 3.97Å; C217-I224 WeakPolarHBondContact O-CD1 3.34Å; N221-I224 HydrophobicContact CB-CD1 3.8Å; N221-I224 HydrophobicContact CB-CG1 3.71Å; N221-I224 WeakPolarHBondContact O-CG1 3.37Å; N221-I224 PolarHBondContact O-N 2.92Å; I224-F226 HydrophobicContact CB-CE2 4.25Å; I224-F226 HydrophobicContact CB-CZ 4.27Å; I224-F226 HydrophobicContact CG2-CD1 4.4Å; I224-F226 HydrophobicContact CG2-CE1 4.26Å; I224-F226 HydrophobicContact CG2-CE2 4.41Å; I224-F226 HydrophobicContact CG2-CZ 4.27Å; I224-F226 WeakPolarHBondContact O-CD2 3.3Å; I224-F226 PolarHBondContact O-N 3.34Å | ||
| 225 | N | 91.9 | Very high | 92 | Very high | 116 Ų | 116 | 94.9 Ų | 94.9 | 62% | 0.62 | 46% | 0.461 | S | S | * | . | trans | -79.1 | 109.1 | 167.9 | 180 | 9.2 | 0 | 0 | 0 | 109.3 | K227 | N225-K227 VanDerWaalsContact C-N 3.31Å; N225-K227 PolarHBondContact O-N 3.42Å; N225-K227 VanDerWaalsContact OD1-CB 3.23Å; N225-K227 WeakPolarHBondContact OD1-CB 3.37Å; N225-K227 PolarHBondContact OD1-N 2.93Å | ||
| 226 | F | 92.4 | Very high | 92.1 | Very high | 28 Ų | 28 | 93.2 Ų | 93.2 | 12% | 0.123 | 46% | 0.459 | C | S | . | . | trans | -82.9 | -1.7 | -179.7 | -71.1 | -78.8 | 0 | 0 | 0 | 114.4 | I214 C217 F218 I224 P228 N229 F230 | I214-F226 HydrophobicContact CB-CE1 4.3Å; I214-F226 HydrophobicContact CG1-CD1 4.12Å; I214-F226 HydrophobicContact CG1-CE1 4.15Å; I214-F226 HydrophobicContact CG2-CE1 4.08Å; I214-F226 HydrophobicContact CG2-CZ 4.15Å; C217-F226 HydrophobicContact CB-CE1 3.47Å; C217-F226 VanDerWaalsContact CB-CE1 3.47Å; C217-F226 HydrophobicContact CB-CZ 3.73Å; F218-F226 HydrophobicContact CD2-CE2 4.21Å; F218-F226 HydrophobicContact CD2-CZ 4.48Å; I224-F226 HydrophobicContact CB-CE2 4.25Å; I224-F226 HydrophobicContact CB-CZ 4.27Å; I224-F226 HydrophobicContact CG2-CD1 4.4Å; I224-F226 HydrophobicContact CG2-CE1 4.26Å; I224-F226 HydrophobicContact CG2-CE2 4.41Å; I224-F226 HydrophobicContact CG2-CZ 4.27Å; I224-F226 WeakPolarHBondContact O-CD2 3.3Å; I224-F226 PolarHBondContact O-N 3.34Å; F226-P228 VanDerWaalsContact C-CD 3.49Å; F226-N229 PolarHBondContact O-N 2.84Å; F226-N229 VanDerWaalsContact O-N 3.08Å; F226-F230 HydrophobicContact CB-CD2 3.75Å; F226-F230 HydrophobicContact CB-CE2 3.5Å; F226-F230 HydrophobicContact CG-CE2 4.47Å; F226-F230 WeakPolarHBondContact O-CD2 3.49Å; F226-F230 PolarHBondContact O-N 2.92Å | ||
| 227 | K | 90.9 | Very high | 91.9 | Very high | 135 Ų | 135 | 87.1 Ų | 87.1 | 59% | 0.587 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -52.7 | -46.7 | -176.3 | -174 | 174 | -179.7 | 175.6 | 0 | 113.4 | N225 N229 F230 D231 | N225-K227 VanDerWaalsContact C-N 3.31Å; N225-K227 PolarHBondContact O-N 3.42Å; N225-K227 VanDerWaalsContact OD1-CB 3.23Å; N225-K227 WeakPolarHBondContact OD1-CB 3.37Å; N225-K227 PolarHBondContact OD1-N 2.93Å; K227-N229 VanDerWaalsContact C-N 3.32Å; K227-N229 PolarHBondContact O-N 3.44Å; K227-F230 PolarHBondContact O-N 3.16Å; K227-D231 VanDerWaalsContact O-CG 3.28Å; K227-D231 PolarHBondContact O-N 2.77Å |
| 228 | P | 92.6 | Very high | 91.9 | Very high | 67 Ų | 67 | 92.6 Ų | 92.6 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 177.6 | -22.1 | 34.5 | 0 | 0 | 0 | 112.7 | F226 F230 D231 D232 | F226-P228 VanDerWaalsContact C-CD 3.49Å; P228-F230 VanDerWaalsContact C-N 3.34Å; P228-F230 PolarHBondContact O-N 2.78Å; P228-D231 PolarHBondContact O-N 3.42Å; P228-D232 PolarHBondContact O-N 2.71Å |
| 229 | N | 91.6 | Very high | 92 | Very high | 38 Ų | 38 | 90.1 Ų | 90.1 | 20% | 0.203 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.6 | -36.3 | 179.7 | -55 | 49.9 | 0 | 0 | 0 | 111.9 | F210 H213 F226 K227 Y233 | F210-N229 HydrophobicContact CE2-CB 4.07Å; F210-N229 WeakPolarHBondContact CE2-O 3.34Å; H213-N229 PolarHBondContact CD2-ND2 3.25Å; H213-N229 PolarHBondContact NE2-ND2 3.23Å; F226-N229 PolarHBondContact O-N 2.84Å; F226-N229 VanDerWaalsContact O-N 3.08Å; K227-N229 VanDerWaalsContact C-N 3.32Å; K227-N229 PolarHBondContact O-N 3.44Å; N229-Y233 WeakPolarHBondContact O-CB 3.34Å; N229-Y233 PolarHBondContact O-N 3.18Å |
| 230 | F | 92 | Very high | 92.1 | Very high | 92 Ų | 92 | 83.3 Ų | 83.3 | 40% | 0.404 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.4 | -37 | 173.5 | -76.3 | -67.7 | 0 | 0 | 0 | 111.9 | F210 I214 F226 K227 P228 Y233 N234 | F210-F230 AromaticContact CE1-CD1 3.71Å; F210-F230 HydrophobicContact CE1-CD1 3.71Å; F210-F230 AromaticContact CE1-CE1 3.54Å; F210-F230 HydrophobicContact CE1-CE1 3.54Å; F210-F230 HydrophobicContact CE1-CZ 4.39Å; F210-F230 AromaticContact CZ-CD1 3.56Å; F210-F230 HydrophobicContact CZ-CD1 3.56Å; F210-F230 AromaticContact CZ-CE1 3.75Å; F210-F230 HydrophobicContact CZ-CE1 3.75Å; F210-F230 HydrophobicContact CZ-CG 4.14Å; F210-F230 HydrophobicContact CZ-CZ 4.45Å; I214-F230 HydrophobicContact CD1-CE1 4.18Å; I214-F230 HydrophobicContact CD1-CZ 3.97Å; F226-F230 HydrophobicContact CB-CD2 3.75Å; F226-F230 HydrophobicContact CB-CE2 3.5Å; F226-F230 HydrophobicContact CG-CE2 4.47Å; F226-F230 WeakPolarHBondContact O-CD2 3.49Å; F226-F230 PolarHBondContact O-N 2.92Å; K227-F230 PolarHBondContact O-N 3.16Å; P228-F230 VanDerWaalsContact C-N 3.34Å; P228-F230 PolarHBondContact O-N 2.78Å; F230-Y233 PolarHBondContact O-N 3.12Å; F230-N234 WeakPolarHBondContact O-CB 3.25Å; F230-N234 PolarHBondContact O-N 2.94Å; F230-N234 PolarHBondContact O-ND2 3.16Å |
| 231 | D | 91.7 | Very high | 91.9 | Very high | 78 Ų | 78 | 77.2 Ų | 77.2 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 175.4 | -64.7 | -26.4 | 0 | 0 | 0 | 110.2 | K227 P228 Y233 N234 E235 | K227-D231 VanDerWaalsContact O-CG 3.28Å; K227-D231 PolarHBondContact O-N 2.77Å; P228-D231 PolarHBondContact O-N 3.42Å; D231-Y233 PolarHBondContact O-N 2.93Å; D231-N234 WeakPolarHBondContact O-CB 3.36Å; D231-N234 PolarHBondContact O-N 3.15Å; D231-E235 PolarHBondContact O-N 2.69Å |
| 232 | D | 92.5 | Very high | 91.9 | Very high | 107 Ų | 107 | 81.6 Ų | 81.6 | 57% | 0.572 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.9 | -43 | 175.1 | -69.3 | -10.5 | 0 | 0 | 0 | 112.4 | P228 N234 E235 H236 | P228-D232 PolarHBondContact O-N 2.71Å; D232-N234 VanDerWaalsContact C-N 3.35Å; D232-N234 PolarHBondContact O-N 3.15Å; D232-E235 PolarHBondContact O-N 2.9Å; D232-H236 PolarHBondContact O-N 2.91Å |
| 233 | Y | 92.6 | Very high | 92 | Very high | 40 Ų | 40 | 84 Ų | 84 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.5 | 171.4 | -89.9 | 0 | 0 | 0 | 111.6 | L206 N207 F210 N229 F230 D231 H236 M237 | L206-Y233 HydrophobicContact CD2-CD2 4.3Å; L206-Y233 HydrophobicContact CD2-CE2 4.06Å; L206-Y233 HydrophobicContact CG-CD2 4.15Å; L206-Y233 HydrophobicContact CG-CE2 3.89Å; N207-Y233 WeakPolarHBondContact OD1-CE2 3.06Å; N207-Y233 PolarHBondContact OD1-OH 3.49Å; F210-Y233 HydrophobicContact CB-CD2 3.92Å; F210-Y233 HydrophobicContact CB-CE2 4.17Å; F210-Y233 AromaticContact CD1-CD2 3.83Å; F210-Y233 HydrophobicContact CD1-CD2 3.83Å; F210-Y233 HydrophobicContact CD1-CE2 4.15Å; F210-Y233 HydrophobicContact CD1-CG 4.19Å; F210-Y233 AromaticContact CD2-CD2 3.94Å; F210-Y233 HydrophobicContact CD2-CD2 3.94Å; F210-Y233 HydrophobicContact CD2-CG 4.26Å; F210-Y233 HydrophobicContact CE1-CD2 4.28Å; F210-Y233 HydrophobicContact CE1-CG 4.16Å; F210-Y233 HydrophobicContact CE2-CD2 4.4Å; F210-Y233 HydrophobicContact CE2-CG 4.26Å; F210-Y233 AromaticContact CG-CD2 3.63Å; F210-Y233 HydrophobicContact CG-CD2 3.63Å; F210-Y233 HydrophobicContact CG-CE2 4.18Å; F210-Y233 HydrophobicContact CG-CG 4.23Å; F210-Y233 HydrophobicContact CZ-CG 4.21Å; N229-Y233 WeakPolarHBondContact O-CB 3.34Å; N229-Y233 PolarHBondContact O-N 3.18Å; F230-Y233 PolarHBondContact O-N 3.12Å; D231-Y233 PolarHBondContact O-N 2.93Å; Y233-H236 PolarHBondContact O-N 2.92Å; Y233-M237 HydrophobicContact CD1-CG 4.25Å; Y233-M237 HydrophobicContact CE1-CG 3.73Å; Y233-M237 HydrophobicContact CE2-CG 4.25Å; Y233-M237 WeakPolarHBondContact O-CB 3.42Å; Y233-M237 WeakPolarHBondContact O-CG 3.35Å; Y233-M237 PolarHBondContact O-N 3.41Å |
| 234 | N | 90.7 | Very high | 92 | Very high | 71 Ų | 71 | 76.1 Ų | 76.1 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.1 | -72.4 | -31.6 | 0 | 0 | 0 | 111.9 | F230 D231 D232 M237 K238 | F230-N234 WeakPolarHBondContact O-CB 3.25Å; F230-N234 PolarHBondContact O-N 2.94Å; F230-N234 PolarHBondContact O-ND2 3.16Å; D231-N234 WeakPolarHBondContact O-CB 3.36Å; D231-N234 PolarHBondContact O-N 3.15Å; D232-N234 VanDerWaalsContact C-N 3.35Å; D232-N234 PolarHBondContact O-N 3.15Å; N234-M237 PolarHBondContact O-N 2.71Å; N234-K238 WeakPolarHBondContact O-CG 3.47Å; N234-K238 PolarHBondContact O-N 3.13Å; N234-K238 VanDerWaalsContact O-N 3.07Å |
| 235 | E | 92.9 | Very high | 91.9 | Very high | 138 Ų | 138 | 76.1 Ų | 76.1 | 65% | 0.645 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 173.4 | -71.5 | -165.9 | 167.1 | 0 | 0 | 111.9 | D231 D232 M237 K238 S239 | D231-E235 PolarHBondContact O-N 2.69Å; D232-E235 PolarHBondContact O-N 2.9Å; E235-M237 PolarHBondContact O-N 3.43Å; E235-K238 PolarHBondContact O-N 3.03Å; E235-S239 PolarHBondContact O-N 3.35Å |
| 236 | H | 92.7 | Very high | 91.6 | Very high | 93 Ų | 93 | 72.2 Ų | 72.2 | 43% | 0.431 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 178 | -163.4 | 177.9 | 0 | 0 | 0 | 111.9 | L206 D232 Y233 K238 S239 L240 | L206-H236 VanDerWaalsContact CD1-ND1 3.29Å; L206-H236 WeakPolarHBondContact CD1-ND1 3.4Å; L206-H236 HydrophobicContact CD2-CB 4.24Å; D232-H236 PolarHBondContact O-N 2.91Å; Y233-H236 PolarHBondContact O-N 2.92Å; H236-K238 PolarHBondContact O-N 2.71Å; H236-S239 WeakPolarHBondContact O-CB 3.43Å; H236-S239 PolarHBondContact O-N 3.31Å; H236-L240 WeakPolarHBondContact O-CG 3.26Å; H236-L240 PolarHBondContact O-N 2.69Å |
| 237 | M | 91.1 | Very high | 91 | Very high | 10 Ų | 10 | 76.6 Ų | 76.6 | 5% | 0.049 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 173.9 | -80.1 | -63.9 | -61.1 | 0 | 0 | 112.4 | I203 L206 Y233 N234 E235 L240 Q241 W253 | I203-M237 HydrophobicContact CD1-CE 3.75Å; I203-M237 HydrophobicContact CD1-SD 4.48Å; I203-M237 HydrophobicContact CG1-CE 3.94Å; I203-M237 HydrophobicContact CG1-SD 4.01Å; I203-M237 HydrophobicContact CG2-CE 4.4Å; I203-M237 HydrophobicContact CG2-SD 4.43Å; L206-M237 HydrophobicContact CD2-CG 4.07Å; L206-M237 HydrophobicContact CD2-SD 3.8Å; Y233-M237 HydrophobicContact CD1-CG 4.25Å; Y233-M237 HydrophobicContact CE1-CG 3.73Å; Y233-M237 HydrophobicContact CE2-CG 4.25Å; Y233-M237 WeakPolarHBondContact O-CB 3.42Å; Y233-M237 WeakPolarHBondContact O-CG 3.35Å; Y233-M237 PolarHBondContact O-N 3.41Å; N234-M237 PolarHBondContact O-N 2.71Å; E235-M237 PolarHBondContact O-N 3.43Å; M237-L240 PolarHBondContact O-N 3.1Å; M237-Q241 WeakPolarHBondContact O-CG 3.39Å; M237-Q241 PolarHBondContact O-N 3.04Å; M237-W253 HydrophobicContact CB-CH2 3.92Å; M237-W253 HydrophobicContact CE-CH2 3.88Å; M237-W253 HydrophobicContact CE-CZ3 4.29Å; M237-W253 HydrophobicContact CG-CH2 4.37Å |
| 238 | K | 91.1 | Very high | 89.8 | Confident | 135 Ų | 135 | 75.7 Ų | 75.7 | 59% | 0.587 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.9 | -41.5 | 174.2 | -72.7 | 175 | -179.4 | -179.6 | 0 | 112 | N234 E235 H236 L240 Q241 Q242 | N234-K238 WeakPolarHBondContact O-CG 3.47Å; N234-K238 PolarHBondContact O-N 3.13Å; N234-K238 VanDerWaalsContact O-N 3.07Å; E235-K238 PolarHBondContact O-N 3.03Å; H236-K238 PolarHBondContact O-N 2.71Å; K238-L240 VanDerWaalsContact C-N 3.33Å; K238-L240 PolarHBondContact O-N 3.44Å; K238-Q241 PolarHBondContact O-N 3.38Å; K238-Q242 PolarHBondContact O-N 2.89Å |
| 239 | S | 93.5 | Very high | 88.5 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 48% | 0.476 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 176 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | E235 H236 Q242 E243 | E235-S239 PolarHBondContact O-N 3.35Å; H236-S239 WeakPolarHBondContact O-CB 3.43Å; H236-S239 PolarHBondContact O-N 3.31Å; S239-Q242 PolarHBondContact O-N 3.3Å; S239-E243 WeakPolarHBondContact O-CB 3.26Å; S239-E243 PolarHBondContact O-N 3.26Å |
| 240 | L | 93.2 | Very high | 87.1 | Confident | 10 Ų | 10 | 81 Ų | 81 | 5% | 0.052 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 176.7 | -76.3 | 174.5 | 0 | 0 | 0 | 112.2 | F199 K202 L206 H236 M237 K238 E243 H244 | F199-L240 HydrophobicContact CE2-CB 4.26Å; K202-L240 HydrophobicContact CB-CD1 4.48Å; K202-L240 HydrophobicContact CB-CD2 4.16Å; K202-L240 HydrophobicContact CD-CD2 3.84Å; L206-L240 HydrophobicContact CD2-CD1 3.74Å; H236-L240 WeakPolarHBondContact O-CG 3.26Å; H236-L240 PolarHBondContact O-N 2.69Å; M237-L240 PolarHBondContact O-N 3.1Å; K238-L240 VanDerWaalsContact C-N 3.33Å; K238-L240 PolarHBondContact O-N 3.44Å; L240-E243 PolarHBondContact O-N 3.28Å; L240-H244 PolarHBondContact O-N 2.98Å; L240-H244 PolarHBondContact O-ND1 2.98Å |
| 241 | Q | 90.5 | Very high | 85.9 | Confident | 10 Ų | 10 | 81.6 Ų | 81.6 | 5% | 0.047 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 175.5 | -78 | 172.5 | -25.8 | 0 | 0 | 111.5 | F199 M237 K238 E243 H244 G245 I246 W253 | F199-Q241 HydrophobicContact CE2-CG 3.96Å; F199-Q241 HydrophobicContact CZ-CG 3.79Å; M237-Q241 WeakPolarHBondContact O-CG 3.39Å; M237-Q241 PolarHBondContact O-N 3.04Å; K238-Q241 PolarHBondContact O-N 3.38Å; Q241-E243 PolarHBondContact O-N 3.18Å; Q241-H244 PolarHBondContact O-N 3.48Å; Q241-G245 PolarHBondContact O-N 3.32Å; Q241-I246 PolarHBondContact O-N 2.64Å; Q241-W253 VanDerWaalsContact NE2-NE1 3.18Å |
| 242 | Q | 92 | Very high | 84.6 | Confident | 163 Ų | 163 | 82.9 Ų | 82.9 | 76% | 0.762 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62 | -42 | 176.2 | -169.9 | 177.3 | 7.2 | 0 | 0 | 112 | K238 S239 H244 G245 | K238-Q242 PolarHBondContact O-N 2.89Å; S239-Q242 PolarHBondContact O-N 3.3Å; Q242-H244 VanDerWaalsContact C-N 3.3Å; Q242-H244 PolarHBondContact O-N 2.81Å; Q242-G245 PolarHBondContact O-N 3.16Å |
| 243 | E | 93.7 | Very high | 83.3 | Confident | 122 Ų | 122 | 82.2 Ų | 82.2 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.9 | -37.5 | 178.5 | -169.2 | -166.7 | 174 | 0 | 0 | 112.4 | K202 S239 L240 Q241 | K202-E243 IonicContact NZ-OE1 2.92Å; K202-E243 PolarHBondContact NZ-OE1 2.98Å; K202-E243 IonicContact NZ-OE2 2.96Å; K202-E243 PolarHBondContact NZ-OE2 2.71Å; S239-E243 WeakPolarHBondContact O-CB 3.26Å; S239-E243 PolarHBondContact O-N 3.26Å; L240-E243 PolarHBondContact O-N 3.28Å; Q241-E243 PolarHBondContact O-N 3.18Å |
| 244 | H | 92.1 | Very high | 81.7 | Confident | 20 Ų | 20 | 88 Ų | 88 | 9% | 0.093 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -95.2 | 2.7 | -176.5 | -60.6 | 75.2 | 0 | 0 | 0 | 113.5 | F199 K202 L240 Q241 Q242 I246 | F199-H244 HydrophobicContact CB-CB 4.24Å; F199-H244 HydrophobicContact CD2-CB 4.01Å; F199-H244 AromaticContact CD2-CG 3.76Å; F199-H244 AromaticContact CD2-ND1 3.66Å; F199-H244 HydrophobicContact CG-CB 4.39Å; K202-H244 VanDerWaalsContact CD-CE1 3.44Å; K202-H244 WeakPolarHBondContact CD-CE1 3.48Å; K202-H244 PolarHBondContact NZ-CE1 3.07Å; K202-H244 PolarHBondContact NZ-NE2 2.54Å; L240-H244 PolarHBondContact O-N 2.98Å; L240-H244 PolarHBondContact O-ND1 2.98Å; Q241-H244 PolarHBondContact O-N 3.48Å; Q242-H244 VanDerWaalsContact C-N 3.3Å; Q242-H244 PolarHBondContact O-N 2.81Å; H244-I246 HydrophobicContact CB-CD1 4.13Å; H244-I246 HydrophobicContact CB-CG1 4.24Å; H244-I246 PolarHBondContact O-N 2.86Å |
| 245 | G | 89.4 | Confident | 80.2 | Confident | 57 Ų | 57 | 90.4 Ų | 90.4 | 59% | 0.588 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 21.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q241 Q242 T247 | Q241-G245 PolarHBondContact O-N 3.32Å; Q242-G245 PolarHBondContact O-N 3.16Å; G245-T247 PolarHBondContact O-N 3.42Å; G245-T247 VanDerWaalsContact O-N 3.16Å |
| 246 | I | 84.8 | Confident | 78.6 | Confident | 34 Ų | 34 | 89.3 Ų | 89.3 | 17% | 0.174 | 48% | 0.48 | C | S | . | . | trans | -85.5 | 89.4 | 174.9 | -61.1 | 171.1 | 0 | 0 | 0 | 105.5 | F199 Q241 H244 L252 | F199-I246 HydrophobicContact CB-CD1 4.09Å; F199-I246 HydrophobicContact CD1-CD1 3.19Å; F199-I246 HydrophobicContact CD2-CD1 3.75Å; F199-I246 HydrophobicContact CE1-CD1 3.27Å; F199-I246 HydrophobicContact CE2-CD1 3.83Å; F199-I246 HydrophobicContact CG-CD1 3.4Å; F199-I246 VanDerWaalsContact CG-CD1 3.4Å; F199-I246 HydrophobicContact CZ-CD1 3.57Å; Q241-I246 PolarHBondContact O-N 2.64Å; H244-I246 HydrophobicContact CB-CD1 4.13Å; H244-I246 HydrophobicContact CB-CG1 4.24Å; H244-I246 PolarHBondContact O-N 2.86Å; I246-L252 HydrophobicContact CG2-CD1 3.63Å | ||
| 247 | T | 78.8 | Confident | 76.8 | Confident | 120 Ų | 120 | 92.1 Ų | 92.1 | 74% | 0.736 | 49% | 0.493 | S | S | * | . | trans | -67.6 | 147.2 | 173.2 | -45.5 | 0 | 0 | 0 | 0 | 107.8 | G245 D249 | G245-T247 PolarHBondContact O-N 3.42Å; G245-T247 VanDerWaalsContact O-N 3.16Å; T247-D249 PolarHBondContact O-N 2.87Å | ||
| 248 | D | 65.8 | Low | 74.8 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | trans | -46.4 | 60.1 | -172.2 | -72 | -44.4 | 0 | 0 | 0 | 116.4 | D250 | D248-D250 PolarHBondContact O-N 3.24Š| ||
| 249 | D | 65.2 | Low | 72.9 | Confident | 120 Ų | 120 | 98 Ų | 98 | 64% | 0.642 | 53% | 0.534 | S | S | * | . | trans | -72.7 | 94.6 | 163.5 | -85.6 | -23.2 | 0 | 0 | 0 | 105.3 | T247 S251 L252 | T247-D249 PolarHBondContact O-N 2.87Å; D249-S251 PolarHBondContact O-N 3.03Å; D249-L252 PolarHBondContact O-N 3.3Å | ||
| 250 | D | 63.3 | Low | 70.9 | Confident | 97 Ų | 97 | 100.4 Ų | 100.4 | 52% | 0.519 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -29.4 | -14 | 157.4 | -107.9 | 21.4 | 0 | 0 | 0 | 116 | D248 K255 | D248-D250 PolarHBondContact O-N 3.24Å; D250-K255 WeakPolarHBondContact O-CE 3.27Å; D250-K255 WeakPolarHBondContact OD2-CE 3.44Å; D250-K255 IonicContact OD2-NZ 3.98Å; D250-K255 PolarHBondContact OD2-NZ 3.04Å |
| 251 | S | 65.9 | Low | 69.1 | Low | 104 Ų | 104 | 107.9 Ų | 107.9 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -37.1 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 113.9 | D249 | D249-S251 PolarHBondContact O-N 3.03Š|
| 252 | L | 65.1 | Low | 67.3 | Low | 106 Ų | 106 | 115.7 Ų | 115.7 | 56% | 0.555 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -84.7 | -23.4 | -174.1 | -70.2 | 176.5 | 0 | 0 | 0 | 113.4 | F199 I246 D249 I254 | F199-L252 HydrophobicContact CE1-CD1 4.39Å; I246-L252 HydrophobicContact CG2-CD1 3.63Å; D249-L252 PolarHBondContact O-N 3.3Å; L252-I254 PolarHBondContact O-N 3.3Å |
| 253 | W | 64.2 | Low | 65.2 | Low | 92 Ų | 92 | 112 Ų | 112 | 35% | 0.348 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -74.8 | 126.6 | 170.1 | -62.6 | 99.7 | 0 | 0 | 0 | 107.4 | M237 Q241 K255 | M237-W253 HydrophobicContact CB-CH2 3.92Å; M237-W253 HydrophobicContact CE-CH2 3.88Å; M237-W253 HydrophobicContact CE-CZ3 4.29Å; M237-W253 HydrophobicContact CG-CH2 4.37Å; Q241-W253 VanDerWaalsContact NE2-NE1 3.18Å; W253-K255 PolarHBondContact O-N 2.86Å |
| 254 | I | 59.2 | Low | 62.9 | Low | 163 Ų | 163 | 111.7 Ų | 111.7 | 84% | 0.836 | 62% | 0.619 | S | S | * | * | trans | -59.1 | 93.6 | 160 | -58.2 | 170.3 | 0 | 0 | 0 | 103.9 | L252 | L252-I254 PolarHBondContact O-N 3.3Š| ||
| 255 | K | 60.6 | Low | 61 | Low | 120 Ų | 120 | 116.9 Ų | 116.9 | 52% | 0.522 | 65% | 0.652 | S | S | . | * | trans | -47.8 | 122.7 | 172.8 | -69.3 | -168.6 | 174 | -159.7 | 0 | 103.7 | D250 W253 E257 | D250-K255 WeakPolarHBondContact O-CE 3.27Å; D250-K255 WeakPolarHBondContact OD2-CE 3.44Å; D250-K255 IonicContact OD2-NZ 3.98Å; D250-K255 PolarHBondContact OD2-NZ 3.04Å; W253-K255 PolarHBondContact O-N 2.86Å; K255-E257 PolarHBondContact O-N 3.47Å | ||
| 256 | P | 57.8 | Low | 58.8 | Low | 115 Ų | 115 | 117 Ų | 117 | 75% | 0.747 | 65% | 0.653 | S | S | * | * | trans | -56.7 | 101.1 | 178.5 | 22.7 | -31.1 | 0 | 0 | 0 | 103.7 | T258 | P256-T258 PolarHBondContact O-N 3.06Š| ||
| 257 | E | 55.5 | Low | 57 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 71% | 0.71 | 69% | 0.688 | S | S | * | * | trans | -54.4 | 115.2 | -175.2 | -172.1 | -178.4 | 178 | 0 | 0 | 102 | K255 L259 | K255-E257 PolarHBondContact O-N 3.47Å; E257-L259 PolarHBondContact O-N 2.96Å | ||
| 258 | T | 49.5 | Very low | 55.7 | Low | 109 Ų | 109 | 131.4 Ų | 131.4 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | trans | -59.6 | 96.9 | -171.4 | 45.1 | 0 | 0 | 0 | 0 | 105 | P256 T260 | P256-T258 PolarHBondContact O-N 3.06Å; T258-T260 PolarHBondContact O-N 3.08Å; T258-T260 PolarHBondContact O-OG1 3.21Å | ||
| 259 | L | 51 | Low | 55.3 | Low | 159 Ų | 159 | 131.2 Ų | 131.2 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -72.8 | 51.3 | 172.6 | -80.4 | 163.5 | 0 | 0 | 0 | 106.9 | E257 K261 | E257-L259 PolarHBondContact O-N 2.96Å; L259-K261 VanDerWaalsContact C-N 3.3Å | ||
| 260 | T | 50.3 | Low | 54.6 | Low | 119 Ų | 119 | 135.7 Ų | 135.7 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | trans | -95.4 | 11.8 | 160.8 | 44 | 0 | 0 | 0 | 0 | 110.3 | T258 E262 | T258-T260 PolarHBondContact O-N 3.08Å; T258-T260 PolarHBondContact O-OG1 3.21Å; T260-E262 PolarHBondContact O-N 2.89Å | ||
| 261 | K | 56.9 | Low | 53.9 | Low | 167 Ų | 167 | 134.6 Ų | 134.6 | 73% | 0.726 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -66 | 100.4 | 145 | -76.4 | 178.6 | -177.2 | 165.7 | 0 | 105.4 | L259 A263 | L259-K261 VanDerWaalsContact C-N 3.3Å; K261-A263 PolarHBondContact O-N 3.28Å |
| 262 | E | 52.5 | Low | 53.1 | Low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -47.2 | 87.7 | 153.1 | -72.7 | -167 | 149.1 | 0 | 0 | 107.1 | T260 T264 | T260-E262 PolarHBondContact O-N 2.89Å; E262-T264 PolarHBondContact O-N 3.35Å | ||
| 263 | A | 48.3 | Very low | 52.2 | Low | 84 Ų | 84 | 139.5 Ų | 139.5 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | trans | -61.5 | 90.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 102.5 | K261 V265 | K261-A263 PolarHBondContact O-N 3.28Å; A263-V265 PolarHBondContact O-N 2.82Å | ||
| 264 | T | 45.2 | Very low | 51.7 | Low | 117 Ų | 117 | 141.7 Ų | 141.7 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -44.9 | 98 | 156.2 | -67.7 | 0 | 0 | 0 | 0 | 103.3 | E262 G266 | E262-T264 PolarHBondContact O-N 3.35Å; T264-G266 PolarHBondContact O-N 2.85Å | ||
| 265 | V | 51.3 | Low | 51.1 | Low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -58.5 | 98.1 | 167.7 | 170.4 | 0 | 0 | 0 | 0 | 101.5 | A263 R267 | A263-V265 PolarHBondContact O-N 2.82Å; V265-R267 PolarHBondContact O-N 3.29Å | ||
| 266 | G | 43.1 | Very low | 50.5 | Low | 60 Ų | 60 | 144.3 Ų | 144.3 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | trans | -52.4 | 100.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 104.3 | T264 R268 | T264-G266 PolarHBondContact O-N 2.85Å; G266-R268 PolarHBondContact O-N 2.93Å | ||
| 267 | R | 46.4 | Very low | 50 | Low | 237 Ų | 237 | 143.8 Ų | 143.8 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | trans | -62.6 | 89.6 | 176.2 | -166.5 | -177.5 | -167.3 | -142.4 | 4.5 | 103.5 | V265 P269 | V265-R267 PolarHBondContact O-N 3.29Å; R267-P269 VanDerWaalsContact O-CD 3.25Å; R267-P269 WeakPolarHBondContact O-CD 3.48Å | ||
| 268 | R | 53 | Low | 49.8 | Very low | 219 Ų | 219 | 141.1 Ų | 141.1 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -52.2 | 115.8 | 176.2 | -143.2 | -178.1 | -162.5 | -175.3 | 5.1 | 104.4 | G266 F270 | G266-R268 PolarHBondContact O-N 2.93Å; R268-F270 PolarHBondContact O-N 3.46Å | ||
| 269 | P | 56 | Low | 49.9 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -62.4 | 109.1 | 176.6 | 23.5 | -29.3 | 0 | 0 | 0 | 106.3 | R267 A271 | R267-P269 VanDerWaalsContact O-CD 3.25Å; R267-P269 WeakPolarHBondContact O-CD 3.48Å; P269-A271 PolarHBondContact O-N 3.14Å | ||
| 270 | F | 51.7 | Low | 49.7 | Very low | 214 Ų | 214 | 143.5 Ų | 143.5 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -68.7 | 76.6 | 158.5 | -94.8 | -88.5 | 0 | 0 | 0 | 106.5 | R268 | R268-F270 PolarHBondContact O-N 3.46Š| ||
| 271 | A | 48 | Very low | 50.1 | Low | 75 Ų | 75 | 149.5 Ų | 149.5 | 62% | 0.62 | 80% | 0.796 | S | S | * | * | trans | -156.8 | 76.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108 | P269 | P269-A271 PolarHBondContact O-N 3.14Š| ||
| 272 | E | 48.8 | Very low | 49.7 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -142.6 | 85.6 | 144 | -142 | 163.9 | -168.8 | 0 | 0 | 109.1 | V274 | E272-V274 PolarHBondContact O-N 3.12Å; E272-V274 VanDerWaalsContact O-N 3.08Å | ||
| 273 | T | 47.9 | Very low | 49.9 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -35.2 | 107.5 | 157.2 | -48.6 | 0 | 0 | 0 | 0 | 109.6 | S275 | T273-S275 PolarHBondContact O-N 3.2Š| ||
| 274 | V | 52.5 | Low | 50.1 | Low | 137 Ų | 137 | 151.9 Ų | 151.9 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -62.9 | 95.4 | 164 | 177.5 | 0 | 0 | 0 | 0 | 106.6 | E272 R276 | E272-V274 PolarHBondContact O-N 3.12Å; E272-V274 VanDerWaalsContact O-N 3.08Å; V274-R276 VanDerWaalsContact C-N 3.34Å; V274-R276 PolarHBondContact O-N 2.91Å | ||
| 275 | S | 47.7 | Very low | 50.1 | Low | 108 Ų | 108 | 153.6 Ų | 153.6 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -61 | 96.8 | 168.9 | 43.2 | 0 | 0 | 0 | 0 | 108.4 | T273 A277 | T273-S275 PolarHBondContact O-N 3.2Å; S275-A277 PolarHBondContact O-N 3.25Å | ||
| 276 | R | 46.6 | Very low | 50.2 | Low | 231 Ų | 231 | 152 Ų | 152 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -55.4 | 114.7 | 163.6 | -177.4 | 175.3 | 179.5 | 176 | -0.5 | 107.9 | V274 A278 | V274-R276 VanDerWaalsContact C-N 3.34Å; V274-R276 PolarHBondContact O-N 2.91Å; R276-A278 PolarHBondContact O-N 3.45Å | ||
| 277 | A | 47.7 | Very low | 50.6 | Low | 104 Ų | 104 | 154 Ų | 154 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -54.1 | 100.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | S275 | S275-A277 PolarHBondContact O-N 3.25Š| ||
| 278 | A | 51.2 | Low | 50.6 | Low | 95 Ų | 95 | 151.5 Ų | 151.5 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -85.1 | 124.9 | 172 | 0 | 0 | 0 | 0 | 0 | 108.7 | R276 | R276-A278 PolarHBondContact O-N 3.45Š| ||
| 279 | S | 52.4 | Low | 50.5 | Low | 118 Ų | 118 | 146.5 Ų | 146.5 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -52.5 | 133.1 | 179.4 | -172.2 | 0 | 0 | 0 | 0 | 112.6 | R281 | S279-R281 PolarHBondContact O-N 3.19Š| ||
| 280 | K | 46.4 | Very low | 50.2 | Low | 201 Ų | 201 | 146.7 Ų | 146.7 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -55.3 | 114 | 173.8 | -63.3 | 172.8 | 177.3 | 179.1 | 0 | 110.8 | ||||
| 281 | R | 58 | Low | 49.9 | Very low | 244 Ų | 244 | 143.4 Ų | 143.4 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -141.9 | 115.8 | 147.8 | -80.6 | -163.8 | 170.7 | 167.5 | -3.5 | 111 | S279 | S279-R281 PolarHBondContact O-N 3.19Š| ||
| 282 | S | 48.8 | Very low | 49.8 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -54.6 | 137.3 | 170 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 283 | R | 56.1 | Low | 49.6 | Very low | 248 Ų | 248 | 140.1 Ų | 140.1 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | -174.6 | 138.2 | 120.2 | -111.1 | 176.1 | 169.2 | 176.1 | -4.6 | 111.1 | |||||
| 284 | T | 52.8 | Low | 49.4 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | trans | -84.5 | 151 | -173 | 31.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 285 | D | 47 | Very low | 49.2 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | 62.4 | 110.9 | 138.9 | -55.8 | -26.6 | 0 | 0 | 0 | 122.1 | ||||
| 286 | A | 53.2 | Low | 49.1 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 172.2 | 105.9 | 124.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 287 | S | 50 | Low | 49.2 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | 48.8 | 105.9 | 85.9 | -171.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 288 | F | 46.4 | Very low | 49.3 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | -178.7 | 115.8 | 115.6 | -114 | -96.3 | 0 | 0 | 0 | 112.9 | |||||
| 289 | V | 51.7 | Low | 49 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 31.6 | 132.4 | 140.2 | -169 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 290 | P | 49 | Very low | 48.8 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -99.7 | 154.4 | 167.2 | 38.3 | -29.6 | 0 | 0 | 0 | 112.6 | ||||
| 291 | T | 46.7 | Very low | 48.8 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -156.5 | 144.9 | 155.9 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 292 | A | 45.9 | Very low | 48.2 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -81.5 | 176.3 | -165 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 293 | A | 44.8 | Very low | 48 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | 126.8 | 147.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 294 | S | 43.9 | Very low | 47.7 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | cis | 177.8 | 150.7 | -12.8 | 176.4 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 295 | A | 46.6 | Very low | 47.3 | Very low | 79 Ų | 79 | 125 Ų | 125 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | trans | 78.1 | 115.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 296 | V | 46.6 | Very low | 47.3 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 87% | 0.873 | 78% | 0.781 | S | S | * | * | 64.7 | 112.9 | 120.4 | -174.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 297 | A | 47.7 | Very low | 46.8 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -173.5 | 140.8 | 116.9 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 298 | K | 50.7 | Low | 46.6 | Very low | 204 Ų | 204 | 131.7 Ų | 131.7 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -71.8 | 175.9 | 173.3 | -87.6 | 172.1 | 168.3 | 174.2 | 0 | 111.8 | ||||
| 299 | E | 45.4 | Very low | 46.8 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 115.4 | 93.3 | 148.9 | -151.4 | 169 | -174.6 | 0 | 0 | 112.9 | ||||
| 300 | Q | 47.4 | Very low | 46.7 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | 76 | 127.9 | 90.4 | -81.3 | -155.5 | 9.5 | 0 | 0 | 116 | |||||
| 301 | A | 47.1 | Very low | 46.8 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | 78.3 | 137.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 302 | G | 44.6 | Very low | 46.7 | Very low | 61 Ų | 61 | 138.4 Ų | 138.4 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | 111.1 | 86.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 303 | T | 45.4 | Very low | 46.7 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | 53.9 | 147.1 | 90.7 | 58.3 | 0 | 0 | 0 | 0 | 117 | |||||
| 304 | V | 48.2 | Very low | 46.7 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | 94.5 | 98.5 | 161.8 | -160.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 305 | S | 46.2 | Very low | 46.8 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | 86.3 | 133.8 | 73.1 | -162.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 306 | S | 46.5 | Very low | 46.8 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | 68.5 | 120 | 156.5 | -53.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 307 | E | 43 | Very low | 46.9 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | 165.8 | 120.9 | 86.7 | -160.3 | 164.4 | 125.7 | 0 | 0 | 112 | |||||
| 308 | R | 45.1 | Very low | 46.9 | Very low | 215 Ų | 215 | 147.8 Ų | 147.8 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -27.8 | 133.6 | 158.9 | -168.3 | -178.6 | -165.4 | 179.1 | 3.6 | 115.8 | ||||
| 309 | K | 50.2 | Low | 46.8 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -160.1 | 120.7 | 137.3 | -109.7 | 162.5 | -170.6 | 175 | 0 | 113.2 | ||||
| 310 | Q | 49.3 | Very low | 46.8 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | trans | -57.9 | 147.2 | 163.9 | -71.6 | 163.8 | -67.1 | 0 | 0 | 111 | ||||
| 311 | M | 52.3 | Low | 46.5 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | trans | -146.4 | 130 | 140.8 | -88.8 | -66.5 | -156.1 | 0 | 0 | 109.3 | ||||
| 312 | H | 43.7 | Very low | 46.5 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -67.4 | 155.8 | 178.1 | -74.2 | -102.7 | 0 | 0 | 0 | 112.5 | ||||
| 313 | G | 45.5 | Very low | 46.5 | Very low | 83 Ų | 83 | 144.1 Ų | 144.1 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -167.3 | 77.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 314 | S | 46 | Very low | 46.4 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -77.4 | 147.1 | 175.2 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 315 | G | 45 | Very low | 46.2 | Very low | 68 Ų | 68 | 145.5 Ų | 145.5 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -179.2 | 86.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 316 | L | 47.6 | Very low | 46.1 | Very low | 153 Ų | 153 | 145 Ų | 145 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | 48 | 107.2 | 91 | -83.5 | 159.2 | 0 | 0 | 0 | 112.8 | |||||
| 317 | F | 47.2 | Very low | 46 | Very low | 216 Ų | 216 | 146.7 Ų | 146.7 | 95% | 0.947 | 79% | 0.794 | S | S | * | * | -171.2 | 131.8 | 118.3 | -104.1 | -78.3 | 0 | 0 | 0 | 110.1 | |||||
| 318 | Q | 48.3 | Very low | 46 | Very low | 185 Ų | 185 | 147 Ų | 147 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -101.6 | -179.1 | -166.4 | -110 | -154.1 | -11.6 | 0 | 0 | 112.4 | ||||
| 319 | P | 48.2 | Very low | 45.8 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -101.6 | 168.6 | -155.9 | 40.7 | -35.9 | 0 | 0 | 0 | 115.5 | ||||
| 320 | A | 45.2 | Very low | 45.4 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -149.8 | 117.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 321 | Q | 42.4 | Very low | 44.9 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | 55.9 | 110.2 | 78.3 | -67.7 | -153.2 | 8.3 | 0 | 0 | 115.5 | |||||
| 322 | S | 46.8 | Very low | 44.4 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -180 | 99.1 | 146.4 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 323 | L | 43.6 | Very low | 44.2 | Very low | 140 Ų | 140 | 136 Ų | 136 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | 48.1 | 110.9 | 79 | -67.8 | 179.4 | 0 | 0 | 0 | 115.3 | |||||
| 324 | S | 43.8 | Very low | 44.4 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 175.5 | 113.4 | 133.1 | -75.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 325 | K | 45 | Very low | 44.3 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | 54.7 | 130 | 80.5 | -65.6 | -179.1 | -178.5 | 178.6 | 0 | 110.5 | |||||
| 326 | S | 43 | Very low | 44.9 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | cis | 168.4 | 176.9 | 12.2 | 41.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 327 | I | 45.4 | Very low | 44.9 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | trans | 100.7 | 100.4 | 152 | -61 | 156.4 | 0 | 0 | 0 | 116.2 | ||||
| 328 | K | 43.5 | Very low | 45.1 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | 89.6 | 111.6 | 99.4 | -70.2 | -175.4 | -166.1 | 175.3 | 0 | 112.5 | |||||
| 329 | L | 39.3 | Very low | 44.9 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | 53.8 | 112.6 | 89.5 | -80 | 167.2 | 0 | 0 | 0 | 112.9 | |||||
| 330 | T | 43 | Very low | 45.4 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | -176.3 | 141 | 125.9 | 39.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 331 | T | 39 | Very low | 45.3 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 179.8 | 176.3 | 40.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 332 | E | 40.5 | Very low | 45.9 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | 83.1 | 113 | 160.1 | -72.6 | -174.9 | 142.3 | 0 | 0 | 117.2 | ||||
| 333 | A | 40.7 | Very low | 45.9 | Very low | 81 Ų | 81 | 147.8 Ų | 147.8 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | 87.7 | 116.2 | 75.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 334 | T | 48 | Very low | 46.2 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | 161.4 | 115 | 147.7 | 34.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 335 | R | 45.3 | Very low | 46.4 | Very low | 221 Ų | 221 | 153.1 Ų | 153.1 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | 86.9 | 109 | 75.2 | -162.1 | -179.8 | -170.2 | 169.9 | 3.9 | 112.7 | |||||
| 336 | S | 57.2 | Low | 46.9 | Very low | 109 Ų | 109 | 153 Ų | 153 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | 171.7 | 103.8 | 137.7 | 44.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 337 | E | 46.5 | Very low | 47.2 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | 49.8 | 95 | 88.4 | -84.6 | -177.8 | 161.3 | 0 | 0 | 113.8 | |||||
| 338 | R | 52.7 | Low | 47 | Very low | 245 Ų | 245 | 151.2 Ų | 151.2 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -147.5 | 93.4 | 141.6 | -138 | 177.7 | -158.7 | 178.2 | 5.6 | 111.8 | ||||
| 339 | E | 44.3 | Very low | 47.3 | Very low | 187 Ų | 187 | 152 Ų | 152 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -39.5 | 119.4 | 152.4 | -172.2 | 178.8 | -149.5 | 0 | 0 | 112.9 | ||||
| 340 | V | 59 | Low | 47.4 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -147.5 | 113.6 | 145.7 | -164.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 341 | G | 42.8 | Very low | 48.2 | Very low | 74 Ų | 74 | 153 Ų | 153 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -70.8 | 151.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 342 | S | 53.6 | Low | 48.6 | Very low | 109 Ų | 109 | 154 Ų | 154 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -149.6 | 116.5 | 151.9 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 343 | Q | 48.4 | Very low | 49 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -73.5 | 120.9 | 177.9 | -61.7 | -179 | 9.7 | 0 | 0 | 109.1 | ||||
| 344 | F | 49 | Very low | 49.5 | Very low | 169 Ų | 169 | 152.2 Ų | 152.2 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -128.8 | 98.7 | 155.1 | -104 | -86.6 | 0 | 0 | 0 | 109.3 | F346 | F344-F346 HydrophobicContact CD1-CD2 4.34Å; F344-F346 AromaticContact CD1-CE2 3.66Å; F344-F346 HydrophobicContact CD1-CE2 3.66Å; F344-F346 HydrophobicContact CD1-CZ 4.32Å; F344-F346 HydrophobicContact CE1-CE2 4.3Å | ||
| 345 | K | 47.5 | Very low | 49.7 | Very low | 191 Ų | 191 | 152.4 Ų | 152.4 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | -67.1 | 119.5 | 161.9 | -83.1 | 174.3 | 170.9 | 174.5 | 0 | 108 | ||||
| 346 | F | 55.8 | Low | 50.4 | Low | 185 Ų | 185 | 149.8 Ų | 149.8 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -113.2 | 112 | 151.9 | -84.6 | -80.6 | 0 | 0 | 0 | 108.5 | F344 | F344-F346 HydrophobicContact CD1-CD2 4.34Å; F344-F346 AromaticContact CD1-CE2 3.66Å; F344-F346 HydrophobicContact CD1-CE2 3.66Å; F344-F346 HydrophobicContact CD1-CZ 4.32Å; F344-F346 HydrophobicContact CE1-CE2 4.3Å | ||
| 347 | S | 49.4 | Very low | 50 | Low | 99 Ų | 99 | 147.5 Ų | 147.5 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -64.8 | 138.9 | 175.5 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 348 | A | 42 | Very low | 50.7 | Low | 91 Ų | 91 | 146.5 Ų | 146.5 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -52 | 135.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 349 | F | 50.2 | Low | 51 | Low | 196 Ų | 196 | 143.9 Ų | 143.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -109.4 | 97.9 | 157.2 | -104.2 | -83.5 | 0 | 0 | 0 | 107.9 | ||||
| 350 | T | 41.1 | Very low | 51.4 | Low | 123 Ų | 123 | 143.9 Ų | 143.9 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -71 | 131.8 | 152.8 | 39.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 351 | K | 59.8 | Low | 51.6 | Low | 200 Ų | 200 | 144.9 Ų | 144.9 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -143.8 | 104.9 | 158.8 | -154.1 | 168.9 | -174.7 | 177.8 | 0 | 110.6 | ||||
| 352 | D | 46.5 | Very low | 52.1 | Low | 142 Ų | 142 | 148.6 Ų | 148.6 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -64.9 | 158.5 | 168.1 | -80.6 | -53 | 0 | 0 | 0 | 113.5 | ||||
| 353 | S | 48.7 | Very low | 52.4 | Low | 117 Ų | 117 | 149.8 Ų | 149.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 76.1 | 116.6 | 142 | 72.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 354 | S | 52.3 | Low | 52.8 | Low | 108 Ų | 108 | 146.7 Ų | 146.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | 165.1 | 103.6 | 115.8 | -160.9 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 355 | D | 52 | Low | 52.9 | Low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | 50.4 | 99.5 | 80.2 | -155.8 | 19.1 | 0 | 0 | 0 | 112.3 | |||||
| 356 | D | 58.7 | Low | 53.4 | Low | 165 Ų | 165 | 148 Ų | 148 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -165.1 | 107.2 | 141.4 | -105.8 | -28.2 | 0 | 0 | 0 | 109.4 | ||||
| 357 | G | 49.3 | Very low | 53.2 | Low | 62 Ų | 62 | 146.3 Ų | 146.3 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | -84.8 | 144 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 358 | L | 62.6 | Low | 53.3 | Low | 159 Ų | 159 | 147.8 Ų | 147.8 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -141.9 | 102.7 | 157.5 | -78.7 | 177.8 | 0 | 0 | 0 | 111.7 | ||||
| 359 | K | 57.4 | Low | 53.7 | Low | 189 Ų | 189 | 146.3 Ų | 146.3 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 46.8 | 108.4 | 131 | -66.6 | -178.9 | 178.5 | 174.8 | 0 | 119.6 | ||||
| 360 | K | 53.3 | Low | 53.9 | Low | 188 Ų | 188 | 143.5 Ų | 143.5 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -30.9 | 136.2 | 145 | -59.1 | 173.5 | 177.8 | -179.2 | 0 | 113.4 | ||||
| 361 | N | 63.1 | Low | 54.6 | Low | 157 Ų | 157 | 147.8 Ų | 147.8 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -139.3 | 107 | 145 | -80 | -41 | 0 | 0 | 0 | 107.9 | ||||
| 362 | D | 53 | Low | 54.2 | Low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -60 | 125.7 | 164.1 | -64.2 | -59.3 | 0 | 0 | 0 | 109.1 | ||||
| 363 | V | 61.3 | Low | 54.5 | Low | 134 Ų | 134 | 141.5 Ų | 141.5 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -112 | 117.5 | 166.1 | 176.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 364 | P | 56.6 | Low | 54.6 | Low | 111 Ų | 111 | 146.8 Ų | 146.8 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -80.2 | 147.6 | -177.3 | 31.9 | -32.2 | 0 | 0 | 0 | 111.6 | R366 | P364-R366 PolarHBondContact O-N 2.88Š| ||
| 365 | L | 50.5 | Low | 54.6 | Low | 163 Ų | 163 | 150.5 Ų | 150.5 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -23 | 125.6 | 155.9 | -111.1 | 72.2 | 0 | 0 | 0 | 113.4 | ||||
| 366 | R | 58.1 | Low | 54.5 | Low | 223 Ų | 223 | 148.8 Ų | 148.8 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -116 | 114.3 | 148.7 | -99.6 | -160.2 | 167.5 | -148.9 | 0.9 | 109.4 | P364 D368 | P364-R366 PolarHBondContact O-N 2.88Å; R366-D368 IonicContact NH1-OD2 2.8Å; R366-D368 PolarHBondContact NH1-OD2 3.27Å | ||
| 367 | D | 51.3 | Low | 53.9 | Low | 150 Ų | 150 | 147.3 Ų | 147.3 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -95.6 | 108.7 | 169.6 | -155.6 | 1.5 | 0 | 0 | 0 | 105.8 | ||||
| 368 | D | 52.4 | Low | 53.9 | Low | 131 Ų | 131 | 153.4 Ų | 153.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -146 | 106.9 | 168.2 | -84.3 | -42.2 | 0 | 0 | 0 | 103.1 | R366 | R366-D368 IonicContact NH1-OD2 2.8Å; R366-D368 PolarHBondContact NH1-OD2 3.27Å | ||
| 369 | G | 49.9 | Very low | 53.1 | Low | 60 Ų | 60 | 150 Ų | 150 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | 118.1 | 93.2 | 64.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 370 | T | 53.7 | Low | 52.8 | Low | 137 Ų | 137 | 146.7 Ų | 146.7 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | 3.3 | 123.9 | 153.3 | 51.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 371 | K | 55.3 | Low | 52.7 | Low | 213 Ų | 213 | 146.4 Ų | 146.4 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | -159.2 | 120.8 | 139.7 | -106.4 | 157.6 | -167.8 | -176.9 | 0 | 111.5 | ||||
| 372 | A | 51.4 | Low | 51.9 | Low | 105 Ų | 105 | 144.7 Ų | 144.7 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 146.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 373 | S | 53.7 | Low | 51.8 | Low | 104 Ų | 104 | 145.4 Ų | 145.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -153 | 119.9 | 147 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 374 | R | 50.7 | Low | 51.3 | Low | 228 Ų | 228 | 149.8 Ų | 149.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -70 | 134.8 | 168 | -80.6 | 170.5 | 164.3 | 148.9 | -5.6 | 110.1 | ||||
| 375 | F | 51.1 | Low | 51.3 | Low | 186 Ų | 186 | 150.1 Ų | 150.1 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -142.5 | 100.3 | 145.8 | -83.6 | -79.7 | 0 | 0 | 0 | 106.6 | ||||
| 376 | V | 50.3 | Low | 51.4 | Low | 108 Ų | 108 | 148.7 Ų | 148.7 | 66% | 0.655 | 80% | 0.798 | S | S | * | * | 61.2 | 101.7 | 96 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | F378 | V376-F378 HydrophobicContact CG1-CD2 4.15Å; V376-F378 HydrophobicContact CG1-CE2 4.3Å | |||
| 377 | V | 46.2 | Very low | 51.4 | Low | 134 Ų | 134 | 141.9 Ų | 141.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -57.5 | 128.1 | 162.7 | 174 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 378 | F | 48.9 | Very low | 51.6 | Low | 189 Ų | 189 | 140.7 Ų | 140.7 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -121.1 | 106.9 | 156.7 | -105.5 | -84.5 | 0 | 0 | 0 | 108.4 | V376 | V376-F378 HydrophobicContact CG1-CD2 4.15Å; V376-F378 HydrophobicContact CG1-CE2 4.3Å | ||
| 379 | A | 46.2 | Very low | 51.8 | Low | 89 Ų | 89 | 146 Ų | 146 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | trans | -76.2 | 128.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 380 | S | 52.4 | Low | 51.9 | Low | 118 Ų | 118 | 150.3 Ų | 150.3 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -131.6 | 100.8 | 163.2 | 59.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 381 | E | 49.7 | Very low | 51.8 | Low | 183 Ų | 183 | 150.9 Ų | 150.9 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | -73.3 | 131.9 | 167.3 | -173.7 | 168 | -169.4 | 0 | 0 | 109.7 | ||||
| 382 | C | 47.4 | Very low | 51.7 | Low | 120 Ų | 120 | 147.5 Ų | 147.5 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | -173.3 | 93.2 | 159.7 | -101.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 383 | Q | 49.9 | Very low | 51.7 | Low | 168 Ų | 168 | 150 Ų | 150 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | 70.7 | 136.8 | 93.3 | -92.1 | -175.6 | 3.9 | 0 | 0 | 116 | |||||
| 384 | R | 51.5 | Low | 51.5 | Low | 225 Ų | 225 | 152.9 Ų | 152.9 | 85% | 0.849 | 83% | 0.831 | S | S | * | * | trans | 94.1 | 126.6 | 165 | -67 | 178 | -173.7 | 164.3 | 2.3 | 114.9 | ||||
| 385 | C | 55.9 | Low | 51.6 | Low | 119 Ų | 119 | 147.9 Ų | 147.9 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | cis | -144.7 | 140.8 | 16.4 | -83 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 386 | V | 53.5 | Low | 51.6 | Low | 133 Ų | 133 | 145.1 Ų | 145.1 | 81% | 0.806 | 83% | 0.83 | S | S | * | * | trans | -75 | 136.2 | 156.2 | 172.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 387 | G | 57.4 | Low | 51.7 | Low | 80 Ų | 80 | 148 Ų | 148 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | trans | -145.2 | 81.2 | 171 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 388 | T | 56.4 | Low | 52.2 | Low | 124 Ų | 124 | 149.2 Ų | 149.2 | 76% | 0.761 | 85% | 0.846 | S | S | * | * | trans | -82 | 123 | 172.2 | -39.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 389 | L | 57.1 | Low | 52.5 | Low | 242 Ų | 242 | 145.5 Ų | 145.5 | 100% | 1.267 | 85% | 0.848 | S | S | * | * | trans | -160.5 | 0 | 140.5 | -107.1 | 164.1 | 0 | 0 | 0 | 109.1 |
Retrieved 389 of 389 residues in 1295.2 ms
(Link to these results)