| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 45.4 | Very low | 246 Ų | 246 | 175.3 Ų | 175.3 | 100% | 1.212 | 87% | 0.873 | S | S | * | * | 0 | 112.1 | 0 | -79.1 | 178.8 | 162.8 | 0 | 0 | 107.1 | |||||
| 2 | N | 41.6 | Very low | 45.6 | Very low | 167 Ų | 167 | 173.9 Ų | 173.9 | 89% | 0.893 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 141.5 | -170.7 | -83 | -44.5 | 0 | 0 | 0 | 112 | ||
| 3 | P | 51.3 | Low | 45.6 | Very low | 119 Ų | 119 | 174.8 Ų | 174.8 | 77% | 0.773 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 151.5 | 175.5 | 32.4 | -31.6 | 0 | 0 | 0 | 112.5 | ||
| 4 | S | 43.5 | Very low | 45.4 | Very low | 121 Ų | 121 | 174.2 Ų | 174.2 | 85% | 0.846 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -51 | 141.9 | -173.1 | -158.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 5 | M | 47 | Very low | 45.2 | Very low | 181 Ų | 181 | 170.5 Ų | 170.5 | 89% | 0.892 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -67 | 132.9 | 178.3 | -65.4 | 176.1 | 65.5 | 0 | 0 | 111.6 | Q7 | M5-Q7 PolarHBondContact O-N 2.96Š|
| 6 | K | 48.1 | Very low | 45.4 | Very low | 212 Ų | 212 | 164.9 Ų | 164.9 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 118.5 | 173 | -68.7 | 173.8 | 178.1 | 179.3 | 0 | 109.6 | ||
| 7 | Q | 49.1 | Very low | 46 | Very low | 183 Ų | 183 | 165.1 Ų | 165.1 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -83.7 | 111 | 169.5 | -164.7 | 171.4 | -0.1 | 0 | 0 | 108.1 | M5 Q9 | M5-Q7 PolarHBondContact O-N 2.96Å; Q7-Q9 PolarHBondContact O-N 3.41Å | ||
| 8 | K | 47.7 | Very low | 46.3 | Very low | 180 Ų | 180 | 163.6 Ų | 163.6 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -84.6 | 106.5 | 173.5 | -140.9 | -175.3 | -178.6 | -156.1 | 0 | 106.7 | ||||
| 9 | Q | 44.4 | Very low | 46.8 | Very low | 188 Ų | 188 | 159.3 Ų | 159.3 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -79.1 | 117 | 164.9 | -88.3 | 176.9 | -32.9 | 0 | 0 | 107.6 | Q7 | Q7-Q9 PolarHBondContact O-N 3.41Š| ||
| 10 | E | 45.3 | Very low | 47.8 | Very low | 158 Ų | 158 | 157.4 Ų | 157.4 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -115.1 | 107.8 | 168.6 | -154.5 | 156.5 | -146.7 | 0 | 0 | 106.3 | I12 | E10-I12 PolarHBondContact O-N 3.1Š| ||
| 11 | E | 40.5 | Very low | 48.6 | Very low | 173 Ų | 173 | 156.2 Ų | 156.2 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -79.3 | 99.9 | -173.1 | -170.5 | -179 | -164.6 | 0 | 0 | 108.9 | K13 | E11-K13 PolarHBondContact O-N 3.25Š| ||
| 12 | I | 48.2 | Very low | 50.1 | Low | 159 Ų | 159 | 153 Ų | 153 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -80.8 | 101.4 | 174.6 | -58.8 | 171.9 | 0 | 0 | 0 | 107.6 | E10 E14 | E10-I12 PolarHBondContact O-N 3.1Å; I12-E14 PolarHBondContact O-N 3.11Å | ||
| 13 | K | 45.8 | Very low | 51.6 | Low | 185 Ų | 185 | 156.7 Ų | 156.7 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -64.4 | 100.7 | 169.5 | -81.2 | -179.7 | 176.2 | 176.2 | 0 | 109.9 | E11 N15 | E11-K13 PolarHBondContact O-N 3.25Å; K13-N15 PolarHBondContact O-N 3.47Å | ||
| 14 | E | 42.8 | Very low | 52.9 | Low | 167 Ų | 167 | 162.5 Ų | 162.5 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | -75 | 102.5 | 170.6 | -158.3 | -178.8 | 173 | 0 | 0 | 109.5 | I12 V16 | I12-E14 PolarHBondContact O-N 3.11Å; E14-V16 VanDerWaalsContact C-N 3.34Å; E14-V16 HydrophobicContact CB-CG2 4.32Å; E14-V16 HydrophobicContact CG-CG2 3.75Å; E14-V16 PolarHBondContact O-N 3.2Å | ||
| 15 | N | 41.8 | Very low | 54.6 | Low | 118 Ų | 118 | 163 Ų | 163 | 63% | 0.631 | 78% | 0.783 | S | S | * | * | trans | -75.4 | 85.5 | 172.2 | 168.8 | 23.9 | 0 | 0 | 0 | 109.5 | K13 K17 | K13-N15 PolarHBondContact O-N 3.47Å; N15-K17 VanDerWaalsContact C-N 3.33Å; N15-K17 PolarHBondContact O-N 2.97Å; N15-K17 VanDerWaalsContact O-N 3.11Å; N15-K17 VanDerWaalsContact OD1-CG 3.3Å; N15-K17 WeakPolarHBondContact OD1-CG 3.03Å | ||
| 16 | V | 49 | Very low | 56.2 | Low | 81 Ų | 81 | 162.9 Ų | 162.9 | 49% | 0.491 | 79% | 0.785 | S | S | . | * | trans | -83.6 | 77.6 | 174.8 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | E14 N18 | E14-V16 VanDerWaalsContact C-N 3.34Å; E14-V16 HydrophobicContact CB-CG2 4.32Å; E14-V16 HydrophobicContact CG-CG2 3.75Å; E14-V16 PolarHBondContact O-N 3.2Å; V16-N18 VanDerWaalsContact C-N 3.33Å; V16-N18 VanDerWaalsContact CG1-CG 3.41Å; V16-N18 WeakPolarHBondContact CG1-ND2 3.38Å; V16-N18 WeakPolarHBondContact CG1-OD1 3.23Å; V16-N18 PolarHBondContact O-N 3.1Å | ||
| 17 | K | 55.6 | Low | 57.8 | Low | 169 Ų | 169 | 161.9 Ų | 161.9 | 74% | 0.735 | 78% | 0.781 | S | S | * | * | trans | -81 | 84.3 | 163.8 | -83.6 | 171.4 | -171.5 | -176 | 0 | 108.8 | N15 S19 | N15-K17 VanDerWaalsContact C-N 3.33Å; N15-K17 PolarHBondContact O-N 2.97Å; N15-K17 VanDerWaalsContact O-N 3.11Å; N15-K17 VanDerWaalsContact OD1-CG 3.3Å; N15-K17 WeakPolarHBondContact OD1-CG 3.03Å; K17-S19 PolarHBondContact O-N 2.89Å | ||
| 18 | N | 51.4 | Low | 59.2 | Low | 137 Ų | 137 | 160.1 Ų | 160.1 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -71.3 | 79.9 | 169.7 | -58.8 | -25 | 0 | 0 | 0 | 109.6 | V16 S20 | V16-N18 VanDerWaalsContact C-N 3.33Å; V16-N18 VanDerWaalsContact CG1-CG 3.41Å; V16-N18 WeakPolarHBondContact CG1-ND2 3.38Å; V16-N18 WeakPolarHBondContact CG1-OD1 3.23Å; V16-N18 PolarHBondContact O-N 3.1Å; N18-S20 PolarHBondContact O-N 3.06Å | ||
| 19 | S | 55.8 | Low | 60.6 | Low | 83 Ų | 83 | 158.8 Ų | 158.8 | 58% | 0.58 | 77% | 0.774 | S | S | * | * | trans | -66 | 114.1 | 160.8 | 55.3 | 0 | 0 | 0 | 0 | 107.2 | K17 I21 | K17-S19 PolarHBondContact O-N 2.89Å; S19-I21 PolarHBondContact O-N 2.71Å; S19-I21 VanDerWaalsContact OG-CD1 3.32Å; S19-I21 WeakPolarHBondContact OG-CD1 3.43Å | ||
| 20 | S | 66.2 | Low | 62.3 | Low | 120 Ų | 120 | 157 Ų | 157 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -67.1 | 73.5 | 174 | 58.5 | 0 | 0 | 0 | 0 | 110 | N18 Q22 | N18-S20 PolarHBondContact O-N 3.06Å; S20-Q22 PolarHBondContact O-N 2.93Å | ||
| 21 | I | 65.3 | Low | 63.8 | Low | 134 Ų | 134 | 155 Ų | 155 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | trans | -78.1 | 105.1 | 176.2 | -63.1 | 162.5 | 0 | 0 | 0 | 106.3 | S19 R23 | S19-I21 PolarHBondContact O-N 2.71Å; S19-I21 VanDerWaalsContact OG-CD1 3.32Å; S19-I21 WeakPolarHBondContact OG-CD1 3.43Å; I21-R23 PolarHBondContact O-N 3.46Å; I21-R23 VanDerWaalsContact O-N 3.1Å | ||
| 22 | Q | 72.8 | Confident | 65.2 | Low | 179 Ų | 179 | 151.4 Ų | 151.4 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -58.9 | 115.4 | 168.1 | -79.4 | 178.5 | -6 | 0 | 0 | 108.4 | S20 R24 | S20-Q22 PolarHBondContact O-N 2.93Å; Q22-R24 PolarHBondContact O-N 2.93Å | ||
| 23 | R | 72.4 | Confident | 66.3 | Low | 243 Ų | 243 | 147.6 Ų | 147.6 | 92% | 0.917 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 122.2 | 175.5 | -75.6 | 179.5 | 156.4 | -168.8 | -6.4 | 109 | I21 | I21-R23 PolarHBondContact O-N 3.46Å; I21-R23 VanDerWaalsContact O-N 3.1Å |
| 24 | R | 78.7 | Confident | 67.2 | Low | 242 Ų | 242 | 145.3 Ų | 145.3 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 129.2 | 169.4 | -65 | -171.5 | -179.8 | 123.3 | -0.4 | 108.7 | Q22 | Q22-R24 PolarHBondContact O-N 2.93Š|
| 25 | T | 79 | Confident | 68.5 | Low | 132 Ų | 132 | 139.9 Ų | 139.9 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -75 | 140.8 | 172.8 | 43.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 26 | L | 80.4 | Confident | 69.8 | Low | 178 Ų | 178 | 139.4 Ų | 139.4 | 93% | 0.932 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 138.7 | 179.5 | -65.1 | 174 | 0 | 0 | 0 | 110.4 | ||
| 27 | K | 82.6 | Confident | 70.4 | Confident | 191 Ų | 191 | 143.6 Ų | 143.6 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 145.4 | 174.4 | -69.3 | -175 | 178.6 | 179.2 | 0 | 110.2 | I29 | K27-I29 WeakPolarHBondContact O-CG1 3.39Å; K27-I29 PolarHBondContact O-N 2.87Å |
| 28 | M | 77.1 | Confident | 70.6 | Confident | 145 Ų | 145 | 140.7 Ų | 140.7 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 117.6 | 173.7 | -151.2 | -169.5 | -52.5 | 0 | 0 | 108.8 | Q30 | M28-Q30 VanDerWaalsContact CG-O 3.29Å; M28-Q30 WeakPolarHBondContact CG-O 3.19Å |
| 29 | I | 77.9 | Confident | 70.8 | Confident | 153 Ų | 153 | 138 Ų | 138 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -86.2 | -19.2 | -175.1 | -49.1 | 178.1 | 0 | 0 | 0 | 110.8 | K27 | K27-I29 WeakPolarHBondContact O-CG1 3.39Å; K27-I29 PolarHBondContact O-N 2.87Å |
| 30 | Q | 79.4 | Confident | 71 | Confident | 149 Ų | 149 | 145.2 Ų | 145.2 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -144.5 | 144.8 | -178.9 | -60.2 | -75.5 | -71.8 | 0 | 0 | 109.9 | M28 S32 | M28-Q30 VanDerWaalsContact CG-O 3.29Å; M28-Q30 WeakPolarHBondContact CG-O 3.19Å; Q30-S32 PolarHBondContact O-N 3.5Å |
| 31 | P | 76.8 | Confident | 70.6 | Confident | 116 Ų | 116 | 148.3 Ų | 148.3 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -61.3 | 135.7 | 174.6 | 24 | -30.7 | 0 | 0 | 0 | 110.6 | A33 | P31-A33 PolarHBondContact O-N 3.39Å; P31-A33 VanDerWaalsContact O-N 3.08Å | ||
| 32 | S | 71.3 | Confident | 69.8 | Low | 98 Ų | 98 | 149.8 Ų | 149.8 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | -55.4 | 117.4 | 176.4 | -64.8 | 0 | 0 | 0 | 0 | 110 | Q30 S34 | Q30-S32 PolarHBondContact O-N 3.5Å; S32-S34 PolarHBondContact O-N 2.98Å; S32-S34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | A | 70.5 | Confident | 68.9 | Low | 79 Ų | 79 | 149.5 Ų | 149.5 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | trans | -63.4 | 113.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109 | P31 G35 | P31-A33 PolarHBondContact O-N 3.39Å; P31-A33 VanDerWaalsContact O-N 3.08Å; A33-G35 VanDerWaalsContact C-N 3.27Å; A33-G35 PolarHBondContact O-N 3.37Å | ||
| 34 | S | 65.5 | Low | 67.8 | Low | 137 Ų | 137 | 142.7 Ų | 142.7 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 86.6 | 166.7 | -83.2 | 0 | 0 | 0 | 0 | 108.9 | S32 | S32-S34 PolarHBondContact O-N 2.98Å; S32-S34 VanDerWaalsContact O-N 3.1Å | ||
| 35 | G | 69.7 | Low | 66.5 | Low | 54 Ų | 54 | 136.9 Ų | 136.9 | 56% | 0.557 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -167.1 | 149.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A33 L37 | A33-G35 VanDerWaalsContact C-N 3.27Å; A33-G35 PolarHBondContact O-N 3.37Å; G35-L37 PolarHBondContact O-N 2.99Å |
| 36 | S | 68.6 | Low | 64.9 | Low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -65.5 | 105.3 | 175 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | V38 | S36-V38 PolarHBondContact O-N 3.16Š| ||
| 37 | L | 61.2 | Low | 63.1 | Low | 168 Ų | 168 | 132.3 Ų | 132.3 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | -73 | 42.4 | 176.8 | -74.6 | 165.6 | 0 | 0 | 0 | 112.8 | G35 | G35-L37 PolarHBondContact O-N 2.99Š| ||
| 38 | V | 60.3 | Low | 61.6 | Low | 109 Ų | 109 | 131.6 Ų | 131.6 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -120.8 | 112.3 | 174.5 | -175.5 | 0 | 0 | 0 | 0 | 106.5 | S36 R40 | S36-V38 PolarHBondContact O-N 3.16Å; V38-R40 PolarHBondContact O-N 3.03Å; V38-R40 VanDerWaalsContact O-N 3.08Å |
| 39 | G | 54.3 | Low | 60.4 | Low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -53.9 | 114.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 40 | R | 61.1 | Low | 59.5 | Low | 235 Ų | 235 | 132.4 Ų | 132.4 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81 | 122.2 | 169.6 | -79.3 | -175.2 | 170 | -162.8 | -4.4 | 107.8 | V38 | V38-R40 PolarHBondContact O-N 3.03Å; V38-R40 VanDerWaalsContact O-N 3.08Å |
| 41 | E | 57.1 | Low | 57.9 | Low | 184 Ų | 184 | 136.6 Ų | 136.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 143.9 | 164.7 | 60.1 | -154.8 | 165.5 | 0 | 0 | 110.9 | E43 | E41-E43 PolarHBondContact O-N 3.25Š|
| 42 | N | 50.1 | Low | 56.6 | Low | 165 Ų | 165 | 139.3 Ų | 139.3 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 118.1 | -171.9 | -56.2 | -59.2 | 0 | 0 | 0 | 111.1 | ||
| 43 | E | 52.8 | Low | 55.5 | Low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -142.9 | 136.9 | 160.6 | -107.7 | -79.8 | 139 | 0 | 0 | 108.7 | E41 | E41-E43 PolarHBondContact O-N 3.25Š| ||
| 44 | P | 48.9 | Very low | 53.9 | Low | 100 Ų | 100 | 148 Ų | 148 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | trans | -67.3 | 141.7 | -167.3 | 24.5 | -34.5 | 0 | 0 | 0 | 114.2 | T46 | P44-T46 PolarHBondContact O-N 3.38Š| ||
| 45 | S | 52.2 | Low | 52.8 | Low | 119 Ų | 119 | 147.1 Ų | 147.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -50.5 | 118.1 | 177.3 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 46 | T | 46.2 | Very low | 51.3 | Low | 139 Ų | 139 | 151.4 Ų | 151.4 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -128 | 118.7 | 153.7 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | P44 | P44-T46 PolarHBondContact O-N 3.38Š| ||
| 47 | G | 41.7 | Very low | 49.9 | Very low | 76 Ų | 76 | 154.8 Ų | 154.8 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 69.4 | 90.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | S49 | G47-S49 PolarHBondContact O-N 3.36Å; G47-S49 VanDerWaalsContact O-N 3.14Å | ||
| 48 | L | 51.6 | Low | 49.1 | Very low | 176 Ų | 176 | 154.5 Ų | 154.5 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -60.5 | 111 | 154.2 | -70.3 | 167.5 | 0 | 0 | 0 | 109.6 | ||||
| 49 | S | 52.3 | Low | 47.9 | Very low | 112 Ų | 112 | 155.7 Ų | 155.7 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -120.5 | 96.4 | 160.3 | -170.3 | 0 | 0 | 0 | 0 | 109.5 | G47 R51 | G47-S49 PolarHBondContact O-N 3.36Å; G47-S49 VanDerWaalsContact O-N 3.14Å; S49-R51 PolarHBondContact O-N 2.95Å; S49-R51 VanDerWaalsContact O-N 3.11Å | ||
| 50 | K | 57.6 | Low | 47.3 | Very low | 202 Ų | 202 | 157 Ų | 157 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | -67.1 | 100.6 | 169.1 | -70.5 | -173.2 | 176.5 | -178.8 | 0 | 108.6 | ||||
| 51 | R | 45.7 | Very low | 46.1 | Very low | 237 Ų | 237 | 152 Ų | 152 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | trans | -101.6 | 95.9 | 165.4 | -161.2 | 170.8 | -174.3 | 164.5 | 0.6 | 110.8 | S49 H53 | S49-R51 PolarHBondContact O-N 2.95Å; S49-R51 VanDerWaalsContact O-N 3.11Å; R51-H53 PolarHBondContact O-N 2.99Å | ||
| 52 | K | 50.4 | Low | 45 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -29 | 113.6 | 161.1 | 178.8 | -174.6 | 176.1 | -176.1 | 0 | 113.2 | ||||
| 53 | H | 48.8 | Very low | 44.2 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | trans | -84.9 | 111.5 | 161.8 | 178 | -79.3 | 0 | 0 | 0 | 108.5 | R51 N55 | R51-H53 PolarHBondContact O-N 2.99Å; H53-N55 PolarHBondContact CE1-OD1 2.91Å; H53-N55 VanDerWaalsContact CE1-OD1 3.25Å | ||
| 54 | R | 36 | Very low | 44 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -119.2 | 119.6 | 168.4 | -167.1 | -176.1 | -171.5 | -141.5 | 2.5 | 107.2 | ||||
| 55 | N | 42.5 | Very low | 44.2 | Very low | 117 Ų | 117 | 145 Ų | 145 | 63% | 0.626 | 80% | 0.8 | S | S | * | * | trans | -55.3 | 150.6 | 172.9 | -71.3 | -54.5 | 0 | 0 | 0 | 111.9 | H53 | H53-N55 PolarHBondContact CE1-OD1 2.91Å; H53-N55 VanDerWaalsContact CE1-OD1 3.25Å | ||
| 56 | D | 38.4 | Very low | 43.4 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | -174.7 | 122.7 | 127.1 | -86.4 | -30 | 0 | 0 | 0 | 110.5 | |||||
| 57 | Q | 38.1 | Very low | 43.5 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | 142.7 | 103.9 | 123.9 | -163.6 | 136.1 | 67.3 | 0 | 0 | 113.3 | |||||
| 58 | L | 45.4 | Very low | 43.6 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -55.9 | 131.8 | 155.2 | -65.3 | 155 | 0 | 0 | 0 | 110.3 | ||||
| 59 | T | 35.8 | Very low | 43.7 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -134.7 | 118.4 | 145.7 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 60 | S | 41.4 | Very low | 43.4 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -77.3 | 146.4 | 172.8 | -49.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 61 | T | 35.1 | Very low | 42.9 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -160.5 | 116.5 | 143.4 | 34.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 62 | T | 33.2 | Very low | 43.3 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 66.7 | 112 | 135.6 | 68.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 63 | S | 33.8 | Very low | 43 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 87.5 | 111.3 | 117.7 | -155.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 64 | S | 48.4 | Very low | 43.2 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 101.8 | 141.4 | 133 | -69.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 65 | P | 54.2 | Low | 43.6 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | trans | -96.7 | 142 | -170.5 | 38 | -29.4 | 0 | 0 | 0 | 111.7 | ||||
| 66 | G | 34.9 | Very low | 44.3 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -156.3 | 104.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I68 | G66-I68 PolarHBondContact O-N 3.17Š| ||
| 67 | V | 47.8 | Very low | 44.9 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | trans | -58.1 | 115.2 | 166.7 | 169.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 68 | I | 44.8 | Very low | 45.5 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -139 | 111.3 | 158 | -56.9 | 177.9 | 0 | 0 | 0 | 106.5 | G66 P70 | G66-I68 PolarHBondContact O-N 3.17Å; I68-P70 VanDerWaalsContact O-CD 3.24Å; I68-P70 WeakPolarHBondContact O-CD 3.44Å | ||
| 69 | V | 53.2 | Low | 45.8 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | trans | -56.8 | 124.2 | 163.5 | 173.3 | 0 | 0 | 0 | 0 | 108 | E71 | V69-E71 PolarHBondContact O-N 3.19Š| ||
| 70 | P | 46.1 | Very low | 46.8 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -89 | 98.8 | 165.2 | -9.8 | 29.8 | 0 | 0 | 0 | 108.5 | I68 | I68-P70 VanDerWaalsContact O-CD 3.24Å; I68-P70 WeakPolarHBondContact O-CD 3.44Å | ||
| 71 | E | 46.9 | Very low | 47.6 | Very low | 170 Ų | 170 | 119.3 Ų | 119.3 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -50.5 | 148.4 | 149.8 | -87.7 | 180 | 139.9 | 0 | 0 | 109.9 | V69 S73 | V69-E71 PolarHBondContact O-N 3.19Å; E71-S73 PolarHBondContact O-N 3.23Å | ||
| 72 | S | 53.3 | Low | 49.5 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 87% | 0.867 | 73% | 0.728 | S | S | * | * | trans | -26.7 | 90.2 | 177 | 58 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 73 | S | 44.4 | Very low | 51.2 | Low | 96 Ų | 96 | 116.9 Ų | 116.9 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | trans | -93.4 | 104.2 | 159.9 | 69.5 | 0 | 0 | 0 | 0 | 107.7 | E71 N75 | E71-S73 PolarHBondContact O-N 3.23Å; S73-N75 PolarHBondContact O-N 2.91Å | ||
| 74 | E | 53 | Low | 52.7 | Low | 177 Ų | 177 | 115.6 Ų | 115.6 | 83% | 0.827 | 70% | 0.699 | S | S | * | * | trans | -61.3 | 79.4 | 168.5 | -157.5 | 175 | -144.6 | 0 | 0 | 108.6 | K76 | E74-K76 PolarHBondContact O-N 3.3Š| ||
| 75 | N | 45 | Very low | 53.7 | Low | 113 Ų | 113 | 112.5 Ų | 112.5 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | trans | -72.7 | 99.9 | 175 | 171.9 | 6.1 | 0 | 0 | 0 | 108.1 | S73 N77 | S73-N75 PolarHBondContact O-N 2.91Å; N75-N77 PolarHBondContact O-N 3.48Å; N75-N77 WeakPolarHBondContact OD1-CB 3.44Å; N75-N77 PolarHBondContact OD1-N 3.34Å; N75-N77 PolarHBondContact OD1-ND2 3.4Å | ||
| 76 | K | 56.6 | Low | 54.5 | Low | 180 Ų | 180 | 110 Ų | 110 | 78% | 0.783 | 65% | 0.654 | S | S | * | * | trans | -67.1 | 70.1 | 166.8 | -61 | -172.2 | 179.5 | -177.2 | 0 | 110.8 | E74 | E74-K76 PolarHBondContact O-N 3.3Š| ||
| 77 | N | 52.2 | Low | 56.1 | Low | 128 Ų | 128 | 107.1 Ų | 107.1 | 68% | 0.684 | 62% | 0.622 | S | S | * | * | trans | -147.7 | 73.2 | 165 | -72.8 | -73.8 | 0 | 0 | 0 | 109.7 | N75 | N75-N77 PolarHBondContact O-N 3.48Å; N75-N77 WeakPolarHBondContact OD1-CB 3.44Å; N75-N77 PolarHBondContact OD1-N 3.34Å; N75-N77 PolarHBondContact OD1-ND2 3.4Å | ||
| 78 | L | 50.8 | Low | 57.2 | Low | 96 Ų | 96 | 105.1 Ų | 105.1 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | trans | -128.1 | 39 | 169.2 | -134.6 | 83.7 | 0 | 0 | 0 | 111.3 | G80 V81 F86 | L78-G80 PolarHBondContact O-N 3.02Å; L78-V81 HydrophobicContact CD1-CB 4.49Å; L78-V81 HydrophobicContact CD1-CG2 4.27Å; L78-V81 HydrophobicContact CD2-CB 3.61Å; L78-V81 HydrophobicContact CD2-CG1 3.85Å; L78-V81 HydrophobicContact CD2-CG2 4.26Å; L78-V81 HydrophobicContact CG-CB 3.73Å; L78-V81 HydrophobicContact CG-CG1 4.46Å; L78-V81 HydrophobicContact CG-CG2 3.98Å; L78-F86 HydrophobicContact CD2-CB 4.48Å; L78-F86 HydrophobicContact CD2-CD2 3.63Å; L78-F86 HydrophobicContact CD2-CE2 4.3Å; L78-F86 HydrophobicContact CD2-CG 4.43Å | ||
| 79 | G | 50 | Low | 58.5 | Low | 95 Ų | 95 | 104.4 Ų | 104.4 | 98% | 0.979 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 18.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 80 | G | 58.1 | Low | 59 | Low | 75 Ų | 75 | 104.2 Ų | 104.2 | 77% | 0.773 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.5 | -1.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L78 | L78-G80 PolarHBondContact O-N 3.02Š|
| 81 | V | 58 | Low | 59.8 | Low | 54 Ų | 54 | 102.2 Ų | 102.2 | 33% | 0.327 | 57% | 0.574 | S | S | . | * | trans | -99.4 | 113.9 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 107 | L78 F86 M89 | L78-V81 HydrophobicContact CD1-CB 4.49Å; L78-V81 HydrophobicContact CD1-CG2 4.27Å; L78-V81 HydrophobicContact CD2-CB 3.61Å; L78-V81 HydrophobicContact CD2-CG1 3.85Å; L78-V81 HydrophobicContact CD2-CG2 4.26Å; L78-V81 HydrophobicContact CG-CB 3.73Å; L78-V81 HydrophobicContact CG-CG1 4.46Å; L78-V81 HydrophobicContact CG-CG2 3.98Å; V81-F86 HydrophobicContact CG1-CB 4.11Å; V81-M89 HydrophobicContact CG1-CE 4Å | ||
| 82 | T | 73.8 | Confident | 60.9 | Low | 84 Ų | 84 | 104.1 Ų | 104.1 | 52% | 0.515 | 58% | 0.583 | S | S | . | * | trans | -55.8 | 143.9 | 171.8 | 42.5 | 0 | 0 | 0 | 0 | 109.5 | E84 S85 F86 | T82-E84 PolarHBondContact O-N 2.92Å; T82-S85 WeakPolarHBondContact O-CA 3.49Å; T82-S85 WeakPolarHBondContact O-CB 3.44Å; T82-S85 PolarHBondContact O-N 3.3Å; T82-S85 PolarHBondContact OG1-OG 2.91Å; T82-F86 PolarHBondContact O-N 2.91Å; T82-F86 VanDerWaalsContact O-N 3.17Å | ||
| 83 | Q | 70.7 | Confident | 61.9 | Low | 121 Ų | 121 | 104 Ų | 104 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -50.6 | -34.1 | 177.2 | -174.9 | 63.2 | 46.8 | 0 | 0 | 111.8 | S85 F86 D87 | Q83-S85 PolarHBondContact O-N 3.46Å; Q83-F86 PolarHBondContact O-N 3.29Å; Q83-D87 PolarHBondContact NE2-OD1 3.31Å; Q83-D87 WeakPolarHBondContact O-CB 3.43Å; Q83-D87 PolarHBondContact O-N 2.93Å |
| 84 | E | 64.6 | Low | 63.7 | Low | 82 Ų | 82 | 100.7 Ų | 100.7 | 38% | 0.383 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 173.4 | -58.2 | -171.1 | 165.4 | 0 | 0 | 112.7 | T82 L88 K105 | T82-E84 PolarHBondContact O-N 2.92Å; E84-L88 WeakPolarHBondContact O-CB 3.46Å; E84-L88 WeakPolarHBondContact O-CD1 3.47Å; E84-L88 VanDerWaalsContact O-CG 3.26Å; E84-L88 WeakPolarHBondContact O-CG 3.19Å; E84-L88 PolarHBondContact O-N 3.4Å; E84-L88 VanDerWaalsContact O-N 3.16Å; E84-K105 IonicContact OE1-NZ 2.66Å; E84-K105 PolarHBondContact OE1-NZ 3.22Å; E84-K105 IonicContact OE2-NZ 3.24Å |
| 85 | S | 70.3 | Confident | 65.3 | Low | 44 Ų | 44 | 94.5 Ų | 94.5 | 31% | 0.308 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.1 | -39.1 | 179.4 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | T82 Q83 L88 M89 | T82-S85 WeakPolarHBondContact O-CA 3.49Å; T82-S85 WeakPolarHBondContact O-CB 3.44Å; T82-S85 PolarHBondContact O-N 3.3Å; T82-S85 PolarHBondContact OG1-OG 2.91Å; Q83-S85 PolarHBondContact O-N 3.46Å; S85-L88 PolarHBondContact O-N 2.93Å; S85-M89 WeakPolarHBondContact O-CB 3.3Å; S85-M89 WeakPolarHBondContact O-CE 3.47Å; S85-M89 VanDerWaalsContact O-CG 3.25Å; S85-M89 WeakPolarHBondContact O-CG 3.29Å; S85-M89 PolarHBondContact O-N 3.11Å |
| 86 | F | 70.1 | Confident | 67.4 | Low | 79 Ų | 79 | 93.8 Ų | 93.8 | 35% | 0.346 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 174.8 | -175.7 | -90.4 | 0 | 0 | 0 | 111.5 | L78 V81 T82 Q83 L88 M89 I90 | L78-F86 HydrophobicContact CD2-CB 4.48Å; L78-F86 HydrophobicContact CD2-CD2 3.63Å; L78-F86 HydrophobicContact CD2-CE2 4.3Å; L78-F86 HydrophobicContact CD2-CG 4.43Å; V81-F86 HydrophobicContact CG1-CB 4.11Å; T82-F86 PolarHBondContact O-N 2.91Å; T82-F86 VanDerWaalsContact O-N 3.17Å; Q83-F86 PolarHBondContact O-N 3.29Å; F86-L88 VanDerWaalsContact C-N 3.29Å; F86-L88 PolarHBondContact O-N 3.19Å; F86-M89 PolarHBondContact O-N 2.75Å; F86-I90 HydrophobicContact CD2-CD1 3.67Å; F86-I90 HydrophobicContact CD2-CG1 4.24Å; F86-I90 HydrophobicContact CE2-CD1 3.55Å; F86-I90 HydrophobicContact CE2-CG1 4.38Å; F86-I90 HydrophobicContact CG-CD1 4.47Å; F86-I90 HydrophobicContact CZ-CD1 4.24Å; F86-I90 HydrophobicContact CZ-CG2 4.3Å; F86-I90 WeakPolarHBondContact O-CB 3.32Å; F86-I90 PolarHBondContact O-N 2.91Å |
| 87 | D | 67.9 | Low | 68.9 | Low | 8 Ų | 8 | 89.8 Ų | 89.8 | 4% | 0.043 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -64.6 | -31.6 | 177.8 | -97.6 | 30.5 | 0 | 0 | 0 | 113.5 | Q83 K91 S95 | Q83-D87 PolarHBondContact NE2-OD1 3.31Å; Q83-D87 WeakPolarHBondContact O-CB 3.43Å; Q83-D87 PolarHBondContact O-N 2.93Å; D87-K91 VanDerWaalsContact CG-CE 3.42Å; D87-K91 VanDerWaalsContact O-CE 3.32Å; D87-K91 WeakPolarHBondContact O-CE 3.43Å; D87-K91 VanDerWaalsContact O-CG 3.3Å; D87-K91 WeakPolarHBondContact O-CG 3.48Å; D87-K91 IonicContact OD1-NZ 2.69Å; D87-K91 PolarHBondContact OD1-NZ 3.1Å; D87-K91 WeakPolarHBondContact OD2-CE 3.44Å; D87-K91 IonicContact OD2-NZ 3.99Å; D87-K91 PolarHBondContact OD2-NZ 3.04Å; D87-S95 VanDerWaalsContact OD2-CB 3.28Å; D87-S95 WeakPolarHBondContact OD2-CB 3.32Å |
| 88 | L | 72.4 | Confident | 70.6 | Confident | 102 Ų | 102 | 86 Ų | 86 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -86.4 | -29.6 | 179.6 | -72.5 | 170.5 | 0 | 0 | 0 | 113.7 | E84 S85 F86 Y98 | E84-L88 WeakPolarHBondContact O-CB 3.46Å; E84-L88 WeakPolarHBondContact O-CD1 3.47Å; E84-L88 VanDerWaalsContact O-CG 3.26Å; E84-L88 WeakPolarHBondContact O-CG 3.19Å; E84-L88 PolarHBondContact O-N 3.4Å; E84-L88 VanDerWaalsContact O-N 3.16Å; S85-L88 PolarHBondContact O-N 2.93Å; F86-L88 VanDerWaalsContact C-N 3.29Å; F86-L88 PolarHBondContact O-N 3.19Å; L88-Y98 HydrophobicContact CD1-CE2 4.36Å; L88-Y98 HydrophobicContact CD2-CE2 3.95Å; L88-Y98 HydrophobicContact CG-CE2 4.12Å |
| 89 | M | 70.9 | Confident | 72.6 | Confident | 133 Ų | 133 | 87 Ų | 87 | 66% | 0.655 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -93.5 | -19.4 | -174.5 | -67.1 | -173.9 | -59.2 | 0 | 0 | 114.4 | V81 S85 F86 | V81-M89 HydrophobicContact CG1-CE 4Å; S85-M89 WeakPolarHBondContact O-CB 3.3Å; S85-M89 WeakPolarHBondContact O-CE 3.47Å; S85-M89 VanDerWaalsContact O-CG 3.25Å; S85-M89 WeakPolarHBondContact O-CG 3.29Å; S85-M89 PolarHBondContact O-N 3.11Å; F86-M89 PolarHBondContact O-N 2.75Å |
| 90 | I | 64.1 | Low | 74.7 | Confident | 112 Ų | 112 | 89.8 Ų | 89.8 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -117.1 | -11.2 | -163.8 | -55.4 | -150.3 | 0 | 0 | 0 | 114.5 | F86 | F86-I90 HydrophobicContact CD2-CD1 3.67Å; F86-I90 HydrophobicContact CD2-CG1 4.24Å; F86-I90 HydrophobicContact CE2-CD1 3.55Å; F86-I90 HydrophobicContact CE2-CG1 4.38Å; F86-I90 HydrophobicContact CG-CD1 4.47Å; F86-I90 HydrophobicContact CZ-CD1 4.24Å; F86-I90 HydrophobicContact CZ-CG2 4.3Å; F86-I90 WeakPolarHBondContact O-CB 3.32Å; F86-I90 PolarHBondContact O-N 2.91Å |
| 91 | K | 63.2 | Low | 76.4 | Confident | 73 Ų | 73 | 89.5 Ų | 89.5 | 32% | 0.317 | 45% | 0.45 | S | S | . | . | trans | -136.5 | 135.3 | -179 | 58.1 | -171.5 | 178.9 | -157.4 | 0 | 113.7 | D87 N93 S95 | D87-K91 VanDerWaalsContact CG-CE 3.42Å; D87-K91 VanDerWaalsContact O-CE 3.32Å; D87-K91 WeakPolarHBondContact O-CE 3.43Å; D87-K91 VanDerWaalsContact O-CG 3.3Å; D87-K91 WeakPolarHBondContact O-CG 3.48Å; D87-K91 IonicContact OD1-NZ 2.69Å; D87-K91 PolarHBondContact OD1-NZ 3.1Å; D87-K91 WeakPolarHBondContact OD2-CE 3.44Å; D87-K91 IonicContact OD2-NZ 3.99Å; D87-K91 PolarHBondContact OD2-NZ 3.04Å; K91-N93 VanDerWaalsContact CD-O 3.31Å; K91-N93 WeakPolarHBondContact CD-O 3.4Å; K91-N93 VanDerWaalsContact CG-O 3.3Å; K91-N93 WeakPolarHBondContact CG-O 3.5Å; K91-N93 PolarHBondContact O-N 2.87Å; K91-S95 VanDerWaalsContact NZ-N 3.16Å | ||
| 92 | E | 69.6 | Low | 78.2 | Confident | 210 Ų | 210 | 87.9 Ų | 87.9 | 98% | 0.981 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -59.1 | -27.2 | 179.3 | -66.5 | -175.2 | 156.6 | 0 | 0 | 113.2 | ||
| 93 | N | 74.5 | Confident | 79.3 | Confident | 121 Ų | 121 | 86.5 Ų | 86.5 | 65% | 0.647 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -127.2 | 124.4 | 172.7 | -161.8 | 30.9 | 0 | 0 | 0 | 110.6 | K91 | K91-N93 VanDerWaalsContact CD-O 3.31Å; K91-N93 WeakPolarHBondContact CD-O 3.4Å; K91-N93 VanDerWaalsContact CG-O 3.3Å; K91-N93 WeakPolarHBondContact CG-O 3.5Å; K91-N93 PolarHBondContact O-N 2.87Å |
| 94 | P | 82.4 | Confident | 80.6 | Confident | 28 Ų | 28 | 84.2 Ų | 84.2 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | trans | -57 | 157 | 179.2 | -25.9 | 34.2 | 0 | 0 | 0 | 113.3 | Y98 W99 | P94-Y98 HydrophobicContact CB-CD1 3.31Å; P94-Y98 HydrophobicContact CB-CE1 3.92Å; P94-Y98 HydrophobicContact CB-CG 3.8Å; P94-Y98 HydrophobicContact CG-CD1 4Å; P94-Y98 HydrophobicContact CG-CE1 4.09Å; P94-W99 HydrophobicContact CG-CZ2 4.32Å | ||
| 95 | S | 85.9 | Confident | 82.2 | Confident | 46 Ų | 46 | 85.6 Ų | 85.6 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | trans | -69.6 | 154.9 | -179.4 | 169.7 | 0 | 0 | 0 | 0 | 109.7 | D87 K91 H97 Y98 W99 | D87-S95 VanDerWaalsContact OD2-CB 3.28Å; D87-S95 WeakPolarHBondContact OD2-CB 3.32Å; K91-S95 VanDerWaalsContact NZ-N 3.16Å; S95-H97 PolarHBondContact O-N 3.33Å; S95-H97 VanDerWaalsContact O-N 3.12Å; S95-H97 PolarHBondContact OG-N 3.29Å; S95-H97 VanDerWaalsContact OG-N 3.1Å; S95-Y98 WeakPolarHBondContact O-CB 3.49Å; S95-Y98 PolarHBondContact O-N 3.06Å; S95-W99 PolarHBondContact O-N 3.42Å | ||
| 96 | S | 89.3 | Confident | 83.5 | Confident | 99 Ų | 99 | 90.8 Ų | 90.8 | 69% | 0.692 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -49.3 | -34.9 | 166.1 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | W99 K100 | S96-W99 PolarHBondContact O-N 3.15Å; S96-K100 WeakPolarHBondContact O-CB 3.29Å; S96-K100 PolarHBondContact O-N 2.94Å |
| 97 | H | 88.7 | Confident | 84.9 | Confident | 95 Ų | 95 | 93.2 Ų | 93.2 | 44% | 0.44 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 176.5 | -171 | 66.5 | 0 | 0 | 0 | 112.7 | S95 W99 K100 E101 | S95-H97 PolarHBondContact O-N 3.33Å; S95-H97 VanDerWaalsContact O-N 3.12Å; S95-H97 PolarHBondContact OG-N 3.29Å; S95-H97 VanDerWaalsContact OG-N 3.1Å; H97-W99 VanDerWaalsContact C-N 3.35Å; H97-W99 PolarHBondContact O-N 3.39Å; H97-K100 WeakPolarHBondContact O-CB 2.89Å; H97-K100 PolarHBondContact O-N 3.38Å; H97-E101 IonicContact CD2-OE1 3.97Å; H97-E101 IonicContact CE1-OE1 3.9Å; H97-E101 IonicContact NE2-OE1 3.26Å; H97-E101 PolarHBondContact NE2-OE1 3.44Å; H97-E101 PolarHBondContact O-N 3.47Å |
| 98 | Y | 88.4 | Confident | 86.4 | Confident | 49 Ų | 49 | 98.4 Ų | 98.4 | 19% | 0.192 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 175 | 171.9 | -91 | 0 | 0 | 0 | 111.4 | L88 P94 S95 K100 E101 V102 | L88-Y98 HydrophobicContact CD1-CE2 4.36Å; L88-Y98 HydrophobicContact CD2-CE2 3.95Å; L88-Y98 HydrophobicContact CG-CE2 4.12Å; P94-Y98 HydrophobicContact CB-CD1 3.31Å; P94-Y98 HydrophobicContact CB-CE1 3.92Å; P94-Y98 HydrophobicContact CB-CG 3.8Å; P94-Y98 HydrophobicContact CG-CD1 4Å; P94-Y98 HydrophobicContact CG-CE1 4.09Å; S95-Y98 WeakPolarHBondContact O-CB 3.49Å; S95-Y98 PolarHBondContact O-N 3.06Å; Y98-K100 VanDerWaalsContact C-N 3.3Å; Y98-K100 PolarHBondContact O-N 3.1Å; Y98-E101 PolarHBondContact O-N 3.08Å; Y98-V102 HydrophobicContact CD1-CG2 4.11Å; Y98-V102 HydrophobicContact CD2-CG2 4.42Å; Y98-V102 HydrophobicContact CE1-CG2 3.69Å; Y98-V102 HydrophobicContact CE2-CG2 4.03Å; Y98-V102 HydrophobicContact CG-CG2 4.46Å; Y98-V102 WeakPolarHBondContact O-CG2 3.45Å; Y98-V102 PolarHBondContact O-N 3.44Å |
| 99 | W | 90.9 | Very high | 87.6 | Confident | 118 Ų | 118 | 96.6 Ų | 96.6 | 45% | 0.447 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -34.4 | 178.8 | -74 | 116.2 | 0 | 0 | 0 | 113 | P94 S95 S96 H97 A103 | P94-W99 HydrophobicContact CG-CZ2 4.32Å; S95-W99 PolarHBondContact O-N 3.42Å; S96-W99 PolarHBondContact O-N 3.15Å; H97-W99 VanDerWaalsContact C-N 3.35Å; H97-W99 PolarHBondContact O-N 3.39Å; W99-A103 VanDerWaalsContact O-CB 3.23Å; W99-A103 WeakPolarHBondContact O-CB 3.49Å; W99-A103 PolarHBondContact O-N 2.92Å |
| 100 | K | 95.1 | Very high | 88.9 | Confident | 153 Ų | 153 | 95.3 Ų | 95.3 | 67% | 0.665 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 172.8 | -178.1 | -177.5 | 178.7 | -179.3 | 0 | 111.4 | S96 H97 Y98 A103 E104 | S96-K100 WeakPolarHBondContact O-CB 3.29Å; S96-K100 PolarHBondContact O-N 2.94Å; H97-K100 WeakPolarHBondContact O-CB 2.89Å; H97-K100 PolarHBondContact O-N 3.38Å; Y98-K100 VanDerWaalsContact C-N 3.3Å; Y98-K100 PolarHBondContact O-N 3.1Å; K100-A103 PolarHBondContact O-N 3.13Å; K100-E104 PolarHBondContact O-N 3.03Å |
| 101 | E | 94.1 | Very high | 90.6 | Very high | 69 Ų | 69 | 96.2 Ų | 96.2 | 32% | 0.322 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 177.8 | -69.2 | -172.5 | 154.3 | 0 | 0 | 112.1 | H97 Y98 A103 E104 K105 | H97-E101 IonicContact CD2-OE1 3.97Å; H97-E101 IonicContact CE1-OE1 3.9Å; H97-E101 IonicContact NE2-OE1 3.26Å; H97-E101 PolarHBondContact NE2-OE1 3.44Å; H97-E101 PolarHBondContact O-N 3.47Å; Y98-E101 PolarHBondContact O-N 3.08Å; E101-A103 VanDerWaalsContact C-N 3.35Å; E101-A103 PolarHBondContact O-N 3.11Å; E101-E104 PolarHBondContact O-N 3Å; E101-K105 WeakPolarHBondContact O-CB 3.38Å; E101-K105 WeakPolarHBondContact O-CG 3.06Å; E101-K105 PolarHBondContact O-N 3.1Å |
| 102 | V | 95.5 | Very high | 92.3 | Very high | 19 Ų | 19 | 97.8 Ų | 97.8 | 12% | 0.115 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | Y98 E104 K105 R106 | Y98-V102 HydrophobicContact CD1-CG2 4.11Å; Y98-V102 HydrophobicContact CD2-CG2 4.42Å; Y98-V102 HydrophobicContact CE1-CG2 3.69Å; Y98-V102 HydrophobicContact CE2-CG2 4.03Å; Y98-V102 HydrophobicContact CG-CG2 4.46Å; Y98-V102 WeakPolarHBondContact O-CG2 3.45Å; Y98-V102 PolarHBondContact O-N 3.44Å; V102-E104 VanDerWaalsContact C-N 3.33Å; V102-E104 PolarHBondContact O-N 3.22Å; V102-K105 PolarHBondContact O-N 3.04Å; V102-R106 HydrophobicContact CG1-CG 4.45Å; V102-R106 WeakPolarHBondContact O-CB 3.48Å; V102-R106 WeakPolarHBondContact O-CG 3.32Å; V102-R106 PolarHBondContact O-N 3.2Å |
| 103 | A | 97.5 | Very high | 93.6 | Very high | 55 Ų | 55 | 89.8 Ų | 89.8 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | W99 K100 E101 R106 R107 | W99-A103 VanDerWaalsContact O-CB 3.23Å; W99-A103 WeakPolarHBondContact O-CB 3.49Å; W99-A103 PolarHBondContact O-N 2.92Å; K100-A103 PolarHBondContact O-N 3.13Å; E101-A103 VanDerWaalsContact C-N 3.35Å; E101-A103 PolarHBondContact O-N 3.11Å; A103-R106 PolarHBondContact O-N 2.85Å; A103-R107 WeakPolarHBondContact O-CB 3.36Å; A103-R107 PolarHBondContact O-N 3.28Å |
| 104 | E | 97.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 88.9 Ų | 88.9 | 34% | 0.341 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 177.2 | -176.9 | 56.7 | -158.6 | 0 | 0 | 112.3 | K100 E101 V102 R107 K108 | K100-E104 PolarHBondContact O-N 3.03Å; E101-E104 PolarHBondContact O-N 3Å; V102-E104 VanDerWaalsContact C-N 3.33Å; V102-E104 PolarHBondContact O-N 3.22Å; E104-R107 PolarHBondContact O-N 2.97Å; E104-R107 IonicContact OE1-CZ 3.38Å; E104-R107 IonicContact OE1-NE 2.69Å; E104-R107 PolarHBondContact OE1-NE 3.23Å; E104-R107 IonicContact OE1-NH2 2.7Å; E104-R107 PolarHBondContact OE1-NH2 3.24Å; E104-R107 IonicContact OE2-CZ 3.82Å; E104-R107 IonicContact OE2-NE 2.69Å; E104-R107 PolarHBondContact OE2-NE 3.05Å; E104-R107 IonicContact OE2-NH2 3.85Å; E104-K108 WeakPolarHBondContact O-CG 3.45Å; E104-K108 PolarHBondContact O-N 3.32Å; E104-K108 WeakPolarHBondContact OE1-CE 3.37Å |
| 105 | K | 97.8 | Very high | 95.6 | Very high | 111 Ų | 111 | 93.1 Ų | 93.1 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 172.6 | -74 | 176.8 | -176.3 | 173.9 | 0 | 110.8 | E84 E101 V102 K108 A109 | E84-K105 IonicContact OE1-NZ 2.66Å; E84-K105 PolarHBondContact OE1-NZ 3.22Å; E84-K105 IonicContact OE2-NZ 3.24Å; E101-K105 WeakPolarHBondContact O-CB 3.38Å; E101-K105 WeakPolarHBondContact O-CG 3.06Å; E101-K105 PolarHBondContact O-N 3.1Å; V102-K105 PolarHBondContact O-N 3.04Å; K105-K108 PolarHBondContact O-N 3.42Å; K105-A109 WeakPolarHBondContact O-CB 3.34Å; K105-A109 PolarHBondContact O-N 3.01Å |
| 106 | R | 98.4 | Very high | 96.2 | Very high | 153 Ų | 153 | 96.5 Ų | 96.5 | 58% | 0.577 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 176.3 | -74.4 | 178.7 | -178 | 136.7 | 4.1 | 112.4 | V102 A103 K108 A109 L110 | V102-R106 HydrophobicContact CG1-CG 4.45Å; V102-R106 WeakPolarHBondContact O-CB 3.48Å; V102-R106 WeakPolarHBondContact O-CG 3.32Å; V102-R106 PolarHBondContact O-N 3.2Å; A103-R106 PolarHBondContact O-N 2.85Å; R106-K108 VanDerWaalsContact C-N 3.35Å; R106-K108 PolarHBondContact O-N 3.43Å; R106-A109 PolarHBondContact O-N 2.91Å; R106-L110 VanDerWaalsContact O-CB 3.3Å; R106-L110 WeakPolarHBondContact O-CB 3.31Å; R106-L110 PolarHBondContact O-N 3.4Å |
| 107 | R | 98.5 | Very high | 96.6 | Very high | 131 Ų | 131 | 95.8 Ų | 95.8 | 49% | 0.494 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 176 | -170 | -163.8 | 68.1 | 72.9 | 0.3 | 111.4 | A103 E104 Y111 | A103-R107 WeakPolarHBondContact O-CB 3.36Å; A103-R107 PolarHBondContact O-N 3.28Å; E104-R107 PolarHBondContact O-N 2.97Å; E104-R107 IonicContact OE1-CZ 3.38Å; E104-R107 IonicContact OE1-NE 2.69Å; E104-R107 PolarHBondContact OE1-NE 3.23Å; E104-R107 IonicContact OE1-NH2 2.7Å; E104-R107 PolarHBondContact OE1-NH2 3.24Å; E104-R107 IonicContact OE2-CZ 3.82Å; E104-R107 IonicContact OE2-NE 2.69Å; E104-R107 PolarHBondContact OE2-NE 3.05Å; E104-R107 IonicContact OE2-NH2 3.85Å; R107-Y111 PolarHBondContact O-N 2.83Å; R107-Y111 VanDerWaalsContact O-N 3.08Å |
| 108 | K | 98.6 | Very high | 97.1 | Very high | 117 Ų | 117 | 96.5 Ų | 96.5 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66 | -46.8 | 176.2 | -70 | 176.5 | -177.1 | 177.9 | 0 | 111.9 | E104 K105 R106 L110 Y111 E112 | E104-K108 WeakPolarHBondContact O-CG 3.45Å; E104-K108 PolarHBondContact O-N 3.32Å; E104-K108 WeakPolarHBondContact OE1-CE 3.37Å; K105-K108 PolarHBondContact O-N 3.42Å; R106-K108 VanDerWaalsContact C-N 3.35Å; R106-K108 PolarHBondContact O-N 3.43Å; K108-L110 VanDerWaalsContact C-N 3.28Å; K108-L110 PolarHBondContact O-N 3.32Å; K108-Y111 WeakPolarHBondContact O-CB 2.88Å; K108-Y111 PolarHBondContact O-N 3.38Å; K108-Y111 VanDerWaalsContact O-N 3.14Å; K108-E112 PolarHBondContact O-N 3.32Å |
| 109 | A | 98.6 | Very high | 97.6 | Very high | 63 Ų | 63 | 100.7 Ų | 100.7 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | K105 R106 E112 A113 | K105-A109 WeakPolarHBondContact O-CB 3.34Å; K105-A109 PolarHBondContact O-N 3.01Å; R106-A109 PolarHBondContact O-N 2.91Å; A109-E112 PolarHBondContact O-N 3.09Å; A109-A113 WeakPolarHBondContact O-CB 3.49Å; A109-A113 PolarHBondContact O-N 3.45Å |
| 110 | L | 98.7 | Very high | 98 | Very high | 106 Ų | 106 | 98.3 Ų | 98.3 | 56% | 0.555 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 175.1 | 178.5 | 62.8 | 0 | 0 | 0 | 111.8 | R106 K108 A113 L114 | R106-L110 VanDerWaalsContact O-CB 3.3Å; R106-L110 WeakPolarHBondContact O-CB 3.31Å; R106-L110 PolarHBondContact O-N 3.4Å; K108-L110 VanDerWaalsContact C-N 3.28Å; K108-L110 PolarHBondContact O-N 3.32Å; L110-A113 PolarHBondContact O-N 3.21Å; L110-L114 HydrophobicContact CD1-CD1 4.18Å; L110-L114 HydrophobicContact CD1-CG 4.14Å; L110-L114 HydrophobicContact CG-CD1 4.05Å; L110-L114 HydrophobicContact CG-CG 4.42Å; L110-L114 WeakPolarHBondContact O-CB 3.39Å; L110-L114 VanDerWaalsContact O-CG 3.28Å; L110-L114 WeakPolarHBondContact O-CG 3.44Å; L110-L114 PolarHBondContact O-N 3.47Å |
| 111 | Y | 98.7 | Very high | 98.1 | Very high | 132 Ų | 132 | 97.3 Ų | 97.3 | 52% | 0.518 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 177.7 | 174.9 | -97.8 | 0 | 0 | 0 | 112.1 | R107 K108 A113 L114 K115 | R107-Y111 PolarHBondContact O-N 2.83Å; R107-Y111 VanDerWaalsContact O-N 3.08Å; K108-Y111 WeakPolarHBondContact O-CB 2.88Å; K108-Y111 PolarHBondContact O-N 3.38Å; K108-Y111 VanDerWaalsContact O-N 3.14Å; Y111-A113 PolarHBondContact O-N 3.03Å; Y111-L114 PolarHBondContact O-N 3.4Å; Y111-K115 HydrophobicContact CE1-CD 4.45Å; Y111-K115 WeakPolarHBondContact O-CB 3.24Å; Y111-K115 PolarHBondContact O-N 2.99Å |
| 112 | E | 98.6 | Very high | 98.4 | Very high | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 177.4 | -62.5 | -54.8 | 149.8 | 0 | 0 | 111.6 | K108 A109 L114 K115 E116 | K108-E112 PolarHBondContact O-N 3.32Å; A109-E112 PolarHBondContact O-N 3.09Å; E112-L114 PolarHBondContact O-N 2.88Å; E112-K115 PolarHBondContact O-N 3.5Å; E112-E116 WeakPolarHBondContact O-CB 3.38Å; E112-E116 PolarHBondContact O-N 2.89Å |
| 113 | A | 98.8 | Very high | 98.5 | Very high | 43 Ų | 43 | 101.8 Ų | 101.8 | 36% | 0.355 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A109 L110 Y111 E116 N117 | A109-A113 WeakPolarHBondContact O-CB 3.49Å; A109-A113 PolarHBondContact O-N 3.45Å; L110-A113 PolarHBondContact O-N 3.21Å; Y111-A113 PolarHBondContact O-N 3.03Å; A113-E116 PolarHBondContact O-N 2.85Å; A113-N117 WeakPolarHBondContact O-CB 3.49Å; A113-N117 VanDerWaalsContact O-CG 3.26Å; A113-N117 PolarHBondContact O-N 3.06Å |
| 114 | L | 98.8 | Very high | 98.6 | Very high | 102 Ų | 102 | 103.5 Ų | 103.5 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 176.4 | -73.3 | 173.7 | 0 | 0 | 0 | 111.9 | L110 Y111 E112 N117 E118 | L110-L114 HydrophobicContact CD1-CD1 4.18Å; L110-L114 HydrophobicContact CD1-CG 4.14Å; L110-L114 HydrophobicContact CG-CD1 4.05Å; L110-L114 HydrophobicContact CG-CG 4.42Å; L110-L114 WeakPolarHBondContact O-CB 3.39Å; L110-L114 VanDerWaalsContact O-CG 3.28Å; L110-L114 WeakPolarHBondContact O-CG 3.44Å; L110-L114 PolarHBondContact O-N 3.47Å; Y111-L114 PolarHBondContact O-N 3.4Å; E112-L114 PolarHBondContact O-N 2.88Å; L114-N117 PolarHBondContact O-N 3.49Å; L114-E118 PolarHBondContact O-N 3.48Å |
| 115 | K | 98.8 | Very high | 98.6 | Very high | 117 Ų | 117 | 105.9 Ų | 105.9 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.9 | -175.9 | -177.4 | 176.1 | -169.5 | 0 | 111.8 | Y111 E112 K119 | Y111-K115 HydrophobicContact CE1-CD 4.45Å; Y111-K115 WeakPolarHBondContact O-CB 3.24Å; Y111-K115 PolarHBondContact O-N 2.99Å; E112-K115 PolarHBondContact O-N 3.5Å; K115-K119 PolarHBondContact O-N 3.46Å; K115-K119 VanDerWaalsContact O-N 3.17Å |
| 116 | E | 98.6 | Very high | 98.7 | Very high | 117 Ų | 117 | 107 Ų | 107 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 173.9 | -175.3 | 172.7 | -170.2 | 0 | 0 | 111.5 | E112 A113 E118 K119 L120 | E112-E116 WeakPolarHBondContact O-CB 3.38Å; E112-E116 PolarHBondContact O-N 2.89Å; A113-E116 PolarHBondContact O-N 2.85Å; E116-E118 VanDerWaalsContact C-N 3.34Å; E116-E118 PolarHBondContact O-N 3.29Å; E116-K119 CarbonylContact O-C 3.59Å; E116-K119 WeakPolarHBondContact O-CA 3.42Å; E116-K119 WeakPolarHBondContact O-CB 3.49Å; E116-K119 PolarHBondContact O-N 2.83Å; E116-K119 VanDerWaalsContact O-N 3.1Å; E116-L120 HydrophobicContact CG-CD1 4.12Å; E116-L120 HydrophobicContact CG-CG 4.33Å; E116-L120 WeakPolarHBondContact O-CG 3.46Å; E116-L120 PolarHBondContact O-N 3.2Å |
| 117 | N | 98.6 | Very high | 98.7 | Very high | 83 Ų | 83 | 105.2 Ų | 105.2 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 175.5 | -78.1 | -8.8 | 0 | 0 | 0 | 112.1 | A113 L114 K119 L120 H121 | A113-N117 WeakPolarHBondContact O-CB 3.49Å; A113-N117 VanDerWaalsContact O-CG 3.26Å; A113-N117 PolarHBondContact O-N 3.06Å; L114-N117 PolarHBondContact O-N 3.49Å; N117-K119 VanDerWaalsContact C-N 3.28Å; N117-K119 PolarHBondContact O-N 3.1Å; N117-L120 PolarHBondContact O-N 3.47Å; N117-H121 PolarHBondContact O-CD2 3.08Å; N117-H121 PolarHBondContact O-N 3.35Å |
| 118 | E | 98.6 | Very high | 98.7 | Very high | 111 Ų | 111 | 103.3 Ų | 103.3 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 175.7 | -168.3 | -162.4 | 143.4 | 0 | 0 | 111.5 | L114 E116 K122 | L114-E118 PolarHBondContact O-N 3.48Å; E116-E118 VanDerWaalsContact C-N 3.34Å; E116-E118 PolarHBondContact O-N 3.29Å; E118-K122 PolarHBondContact O-N 3.25Å; E118-K122 IonicContact OE1-NZ 3.55Å; E118-K122 PolarHBondContact OE1-NZ 3.14Å |
| 119 | K | 98.8 | Very high | 98.7 | Very high | 136 Ų | 136 | 102.7 Ų | 102.7 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -46.1 | 174.9 | -178.4 | -164.8 | 169.4 | -160.2 | 0 | 111.2 | K115 E116 N117 H121 K122 E123 | K115-K119 PolarHBondContact O-N 3.46Å; K115-K119 VanDerWaalsContact O-N 3.17Å; E116-K119 CarbonylContact O-C 3.59Å; E116-K119 WeakPolarHBondContact O-CA 3.42Å; E116-K119 WeakPolarHBondContact O-CB 3.49Å; E116-K119 PolarHBondContact O-N 2.83Å; E116-K119 VanDerWaalsContact O-N 3.1Å; N117-K119 VanDerWaalsContact C-N 3.28Å; N117-K119 PolarHBondContact O-N 3.1Å; K119-H121 VanDerWaalsContact C-N 3.34Å; K119-H121 PolarHBondContact O-N 2.84Å; K119-K122 PolarHBondContact O-N 3.34Å; K119-E123 PolarHBondContact O-N 3.5Å |
| 120 | L | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 103.6 Ų | 103.6 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | -179.9 | -71.3 | 173.2 | 0 | 0 | 0 | 111.6 | E116 N117 K122 E123 I124 | E116-L120 HydrophobicContact CG-CD1 4.12Å; E116-L120 HydrophobicContact CG-CG 4.33Å; E116-L120 WeakPolarHBondContact O-CG 3.46Å; E116-L120 PolarHBondContact O-N 3.2Å; N117-L120 PolarHBondContact O-N 3.47Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 3.11Å; L120-E123 PolarHBondContact O-N 3.13Å; L120-I124 WeakPolarHBondContact O-CB 3.24Å; L120-I124 VanDerWaalsContact O-CG1 3.24Å; L120-I124 WeakPolarHBondContact O-CG1 3.36Å; L120-I124 PolarHBondContact O-N 3.44Å |
| 121 | H | 98.8 | Very high | 98.7 | Very high | 131 Ų | 131 | 102.5 Ų | 102.5 | 61% | 0.606 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.5 | -42.5 | 174.6 | -78.9 | -60.6 | 0 | 0 | 0 | 112.5 | N117 K119 I124 E125 | N117-H121 PolarHBondContact O-CD2 3.08Å; N117-H121 PolarHBondContact O-N 3.35Å; K119-H121 VanDerWaalsContact C-N 3.34Å; K119-H121 PolarHBondContact O-N 2.84Å; H121-I124 PolarHBondContact O-N 2.69Å; H121-E125 PolarHBondContact O-N 2.88Å |
| 122 | K | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 99 Ų | 99 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 175.1 | -71 | 167.9 | 174.5 | 166.7 | 0 | 112.1 | E118 K119 L120 Q126 | E118-K122 PolarHBondContact O-N 3.25Å; E118-K122 IonicContact OE1-NZ 3.55Å; E118-K122 PolarHBondContact OE1-NZ 3.14Å; K119-K122 PolarHBondContact O-N 3.34Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 3.11Å; K122-Q126 VanDerWaalsContact O-CG 3.29Å; K122-Q126 WeakPolarHBondContact O-CG 3.4Å; K122-Q126 PolarHBondContact O-N 3.48Å |
| 123 | E | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 99.9 Ų | 99.9 | 36% | 0.36 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 177.6 | -175.1 | 174.5 | 167.6 | 0 | 0 | 111.9 | K119 L120 Q126 K127 | K119-E123 PolarHBondContact O-N 3.5Å; L120-E123 PolarHBondContact O-N 3.13Å; E123-Q126 PolarHBondContact O-N 2.81Å; E123-K127 HydrophobicContact CG-CD 4.29Å; E123-K127 WeakPolarHBondContact O-CG 3.36Å; E123-K127 PolarHBondContact O-N 2.83Å; E123-K127 WeakPolarHBondContact OE1-CE 3.38Å; E123-K127 IonicContact OE1-NZ 2.84Å |
| 124 | I | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 101 Ų | 101 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 174.5 | -70.7 | 164.8 | 0 | 0 | 0 | 109.6 | L120 H121 Q126 K127 D128 | L120-I124 WeakPolarHBondContact O-CB 3.24Å; L120-I124 VanDerWaalsContact O-CG1 3.24Å; L120-I124 WeakPolarHBondContact O-CG1 3.36Å; L120-I124 PolarHBondContact O-N 3.44Å; H121-I124 PolarHBondContact O-N 2.69Å; I124-Q126 VanDerWaalsContact C-N 3.29Å; I124-Q126 PolarHBondContact O-N 3.05Å; I124-K127 PolarHBondContact O-N 3Å; I124-D128 WeakPolarHBondContact CG2-OD2 3.16Å; I124-D128 PolarHBondContact O-N 3.27Å |
| 125 | E | 98.7 | Very high | 98.7 | Very high | 124 Ų | 124 | 103.2 Ų | 103.2 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.3 | -42.8 | 177.8 | -179.9 | -179.3 | -141.2 | 0 | 0 | 112.2 | H121 D128 N129 | H121-E125 PolarHBondContact O-N 2.88Å; E125-D128 PolarHBondContact O-N 3.05Å; E125-N129 PolarHBondContact O-N 3.27Å; E125-N129 VanDerWaalsContact O-N 3.1Å; E125-N129 PolarHBondContact O-ND2 3.35Å |
| 126 | Q | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 104.2 Ų | 104.2 | 62% | 0.621 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 176.2 | -74 | 175 | 7.5 | 0 | 0 | 112.4 | K122 E123 I124 N129 E130 | K122-Q126 VanDerWaalsContact O-CG 3.29Å; K122-Q126 WeakPolarHBondContact O-CG 3.4Å; K122-Q126 PolarHBondContact O-N 3.48Å; E123-Q126 PolarHBondContact O-N 2.81Å; I124-Q126 VanDerWaalsContact C-N 3.29Å; I124-Q126 PolarHBondContact O-N 3.05Å; Q126-N129 PolarHBondContact O-N 3.42Å; Q126-E130 PolarHBondContact O-N 3.4Å; Q126-E130 VanDerWaalsContact O-N 3.13Å |
| 127 | K | 98.8 | Very high | 98.7 | Very high | 117 Ų | 117 | 102.5 Ų | 102.5 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 178.3 | -74.4 | 178.3 | -179.1 | -66.1 | 0 | 111.7 | E123 I124 N129 E130 I131 | E123-K127 HydrophobicContact CG-CD 4.29Å; E123-K127 WeakPolarHBondContact O-CG 3.36Å; E123-K127 PolarHBondContact O-N 2.83Å; E123-K127 WeakPolarHBondContact OE1-CE 3.38Å; E123-K127 IonicContact OE1-NZ 2.84Å; I124-K127 PolarHBondContact O-N 3Å; K127-N129 VanDerWaalsContact C-N 3.33Å; K127-N129 PolarHBondContact O-N 3.11Å; K127-E130 PolarHBondContact O-N 2.83Å; K127-I131 WeakPolarHBondContact O-CB 3.49Å; K127-I131 VanDerWaalsContact O-CG1 3.24Å; K127-I131 WeakPolarHBondContact O-CG1 3.29Å; K127-I131 PolarHBondContact O-N 3.18Å |
| 128 | D | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 103.5 Ų | 103.5 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 178 | -70 | -23.4 | 0 | 0 | 0 | 111.4 | I124 E125 E130 I131 A132 | I124-D128 WeakPolarHBondContact CG2-OD2 3.16Å; I124-D128 PolarHBondContact O-N 3.27Å; E125-D128 PolarHBondContact O-N 3.05Å; D128-E130 VanDerWaalsContact C-N 3.35Å; D128-E130 PolarHBondContact O-N 2.95Å; D128-I131 PolarHBondContact O-N 3.39Å; D128-A132 WeakPolarHBondContact O-CB 3.3Å; D128-A132 PolarHBondContact O-N 2.9Å |
| 129 | N | 98.6 | Very high | 98.7 | Very high | 105 Ų | 105 | 104.7 Ų | 104.7 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 173.5 | -75.9 | -51.8 | 0 | 0 | 0 | 112.2 | E125 Q126 K127 A132 R133 | E125-N129 PolarHBondContact O-N 3.27Å; E125-N129 VanDerWaalsContact O-N 3.1Å; E125-N129 PolarHBondContact O-ND2 3.35Å; Q126-N129 PolarHBondContact O-N 3.42Å; K127-N129 VanDerWaalsContact C-N 3.33Å; K127-N129 PolarHBondContact O-N 3.11Å; N129-A132 PolarHBondContact O-N 3.27Å; N129-R133 WeakPolarHBondContact O-CB 3.44Å; N129-R133 PolarHBondContact O-N 2.98Å |
| 130 | E | 98.7 | Very high | 98.6 | Very high | 81 Ų | 81 | 103 Ų | 103 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 177.4 | 179.9 | 60.3 | -172.9 | 0 | 0 | 111.9 | Q126 K127 D128 A132 R133 L134 | Q126-E130 PolarHBondContact O-N 3.4Å; Q126-E130 VanDerWaalsContact O-N 3.13Å; K127-E130 PolarHBondContact O-N 2.83Å; D128-E130 VanDerWaalsContact C-N 3.35Å; D128-E130 PolarHBondContact O-N 2.95Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 3.23Å; E130-R133 WeakPolarHBondContact O-CB 3.35Å; E130-R133 PolarHBondContact O-N 3.41Å; E130-R133 IonicContact OE1-CZ 3.91Å; E130-R133 IonicContact OE1-NE 3.51Å; E130-R133 IonicContact OE1-NH2 3.52Å; E130-R133 PolarHBondContact OE1-NH2 2.82Å; E130-R133 IonicContact OE2-CZ 2.85Å; E130-R133 IonicContact OE2-NE 3.63Å; E130-R133 PolarHBondContact OE2-NE 2.86Å; E130-R133 IonicContact OE2-NH2 2.9Å; E130-L134 HydrophobicContact CG-CD1 4.04Å; E130-L134 HydrophobicContact CG-CG 4.49Å; E130-L134 WeakPolarHBondContact O-CB 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.45Å; E130-L134 PolarHBondContact O-N 3.1Å |
| 131 | I | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 104.6 Ų | 104.6 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 173.7 | -70.8 | 166.6 | 0 | 0 | 0 | 110.1 | K127 D128 R133 L134 K135 | K127-I131 WeakPolarHBondContact O-CB 3.49Å; K127-I131 VanDerWaalsContact O-CG1 3.24Å; K127-I131 WeakPolarHBondContact O-CG1 3.29Å; K127-I131 PolarHBondContact O-N 3.18Å; D128-I131 PolarHBondContact O-N 3.39Å; I131-R133 VanDerWaalsContact C-N 3.33Å; I131-R133 PolarHBondContact O-N 3.47Å; I131-L134 PolarHBondContact O-N 3.2Å; I131-K135 HydrophobicContact CG2-CD 4.04Å; I131-K135 HydrophobicContact CG2-CG 4.27Å; I131-K135 VanDerWaalsContact O-CB 3.31Å; I131-K135 WeakPolarHBondContact O-CB 3.31Å; I131-K135 WeakPolarHBondContact O-CG 3.3Å; I131-K135 PolarHBondContact O-N 3.39Å |
| 132 | A | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 100.6 Ų | 100.6 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D128 N129 E130 K136 | D128-A132 WeakPolarHBondContact O-CB 3.3Å; D128-A132 PolarHBondContact O-N 2.9Å; N129-A132 PolarHBondContact O-N 3.27Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 3.23Å; A132-K136 PolarHBondContact O-N 3.32Å; A132-K136 VanDerWaalsContact O-N 3.09Å |
| 133 | R | 98.7 | Very high | 98.5 | Very high | 122 Ų | 122 | 100.5 Ų | 100.5 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -50.6 | 175.9 | -170.4 | -168 | 71 | 72.1 | -0.9 | 111.6 | N129 E130 I131 K136 E137 | N129-R133 WeakPolarHBondContact O-CB 3.44Å; N129-R133 PolarHBondContact O-N 2.98Å; E130-R133 WeakPolarHBondContact O-CB 3.35Å; E130-R133 PolarHBondContact O-N 3.41Å; E130-R133 IonicContact OE1-CZ 3.91Å; E130-R133 IonicContact OE1-NE 3.51Å; E130-R133 IonicContact OE1-NH2 3.52Å; E130-R133 PolarHBondContact OE1-NH2 2.82Å; E130-R133 IonicContact OE2-CZ 2.85Å; E130-R133 IonicContact OE2-NE 3.63Å; E130-R133 PolarHBondContact OE2-NE 2.86Å; E130-R133 IonicContact OE2-NH2 2.9Å; I131-R133 VanDerWaalsContact C-N 3.33Å; I131-R133 PolarHBondContact O-N 3.47Å; R133-K136 PolarHBondContact O-N 3.37Å; R133-E137 IonicContact CZ-OE2 2.69Å; R133-E137 IonicContact NH1-OE2 3.92Å; R133-E137 PolarHBondContact NH1-OE2 3.36Å; R133-E137 PolarHBondContact O-N 3.42Å |
| 134 | L | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 101.1 Ų | 101.1 | 35% | 0.351 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | -179.3 | -73 | 172.6 | 0 | 0 | 0 | 112.4 | E130 I131 K136 E137 N138 | E130-L134 HydrophobicContact CG-CD1 4.04Å; E130-L134 HydrophobicContact CG-CG 4.49Å; E130-L134 WeakPolarHBondContact O-CB 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.45Å; E130-L134 PolarHBondContact O-N 3.1Å; I131-L134 PolarHBondContact O-N 3.2Å; L134-K136 VanDerWaalsContact C-N 3.31Å; L134-K136 PolarHBondContact O-N 2.66Å; L134-E137 PolarHBondContact O-N 3.17Å; L134-N138 WeakPolarHBondContact O-CB 3.33Å; L134-N138 PolarHBondContact O-N 2.88Å |
| 135 | K | 98.6 | Very high | 98.4 | Very high | 149 Ų | 149 | 99.6 Ų | 99.6 | 65% | 0.648 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | 174.3 | -80.7 | -173.9 | 174.6 | -174.5 | 0 | 111.4 | I131 K139 | I131-K135 HydrophobicContact CG2-CD 4.04Å; I131-K135 HydrophobicContact CG2-CG 4.27Å; I131-K135 VanDerWaalsContact O-CB 3.31Å; I131-K135 WeakPolarHBondContact O-CB 3.31Å; I131-K135 WeakPolarHBondContact O-CG 3.3Å; I131-K135 PolarHBondContact O-N 3.39Å; K135-K139 WeakPolarHBondContact O-CB 3.42Å; K135-K139 PolarHBondContact O-N 2.98Å |
| 136 | K | 98.6 | Very high | 98.4 | Very high | 137 Ų | 137 | 99.9 Ų | 99.9 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -48.7 | 175.1 | 178.2 | 177.6 | 171.4 | 178.3 | 0 | 111.5 | A132 R133 L134 N138 K139 E140 | A132-K136 PolarHBondContact O-N 3.32Å; A132-K136 VanDerWaalsContact O-N 3.09Å; R133-K136 PolarHBondContact O-N 3.37Å; L134-K136 VanDerWaalsContact C-N 3.31Å; L134-K136 PolarHBondContact O-N 2.66Å; K136-N138 PolarHBondContact O-N 3.19Å; K136-K139 WeakPolarHBondContact O-CB 3.46Å; K136-K139 PolarHBondContact O-N 3.49Å; K136-E140 WeakPolarHBondContact CE-OE1 3.3Å; K136-E140 IonicContact NZ-OE1 3.92Å; K136-E140 WeakPolarHBondContact O-CG 3.32Å; K136-E140 PolarHBondContact O-N 3.35Å |
| 137 | E | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 99 Ų | 99 | 38% | 0.379 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 178.5 | -174.5 | 176.5 | 169.5 | 0 | 0 | 111.7 | R133 L134 K139 E140 L141 | R133-E137 IonicContact CZ-OE2 2.69Å; R133-E137 IonicContact NH1-OE2 3.92Å; R133-E137 PolarHBondContact NH1-OE2 3.36Å; R133-E137 PolarHBondContact O-N 3.42Å; L134-E137 PolarHBondContact O-N 3.17Å; E137-K139 VanDerWaalsContact C-N 3.32Å; E137-K139 PolarHBondContact O-N 3.48Å; E137-E140 PolarHBondContact O-N 2.94Å; E137-L141 HydrophobicContact CG-CD1 4.26Å; E137-L141 VanDerWaalsContact O-CG 3.32Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.14Å |
| 138 | N | 98.4 | Very high | 98.2 | Very high | 104 Ų | 104 | 97.6 Ų | 97.6 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 176.4 | -77.7 | -13.7 | 0 | 0 | 0 | 112.5 | L134 K136 L141 A142 | L134-N138 WeakPolarHBondContact O-CB 3.33Å; L134-N138 PolarHBondContact O-N 2.88Å; K136-N138 PolarHBondContact O-N 3.19Å; N138-L141 PolarHBondContact O-N 3.08Å; N138-A142 WeakPolarHBondContact O-CB 3.26Å; N138-A142 PolarHBondContact O-N 2.9Å |
| 139 | K | 98.4 | Very high | 98.1 | Very high | 137 Ų | 137 | 97.8 Ų | 97.8 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 174.9 | 179.6 | 177.5 | 174.4 | 174 | 0 | 111.3 | K135 K136 E137 L141 A142 E143 | K135-K139 WeakPolarHBondContact O-CB 3.42Å; K135-K139 PolarHBondContact O-N 2.98Å; K136-K139 WeakPolarHBondContact O-CB 3.46Å; K136-K139 PolarHBondContact O-N 3.49Å; E137-K139 VanDerWaalsContact C-N 3.32Å; E137-K139 PolarHBondContact O-N 3.48Å; K139-L141 VanDerWaalsContact C-N 3.31Å; K139-L141 PolarHBondContact O-N 2.85Å; K139-A142 PolarHBondContact O-N 3.38Å; K139-E143 WeakPolarHBondContact CE-OE1 3.42Å; K139-E143 WeakPolarHBondContact O-CG 3.25Å; K139-E143 PolarHBondContact O-N 3.37Å |
| 140 | E | 98.1 | Very high | 98 | Very high | 100 Ų | 100 | 98.7 Ų | 98.7 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 177.3 | -70.4 | 173.6 | -172.3 | 0 | 0 | 111.5 | K136 E137 E143 V144 | K136-E140 WeakPolarHBondContact CE-OE1 3.3Å; K136-E140 IonicContact NZ-OE1 3.92Å; K136-E140 WeakPolarHBondContact O-CG 3.32Å; K136-E140 PolarHBondContact O-N 3.35Å; E137-E140 PolarHBondContact O-N 2.94Å; E140-E143 PolarHBondContact O-N 2.95Å; E140-V144 WeakPolarHBondContact O-CG2 3.39Å; E140-V144 PolarHBondContact O-N 3.43Å; E140-V144 VanDerWaalsContact O-N 3.1Å |
| 141 | L | 98.4 | Very high | 97.9 | Very high | 102 Ų | 102 | 98.6 Ų | 98.6 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 176.2 | -70.1 | 173.9 | 0 | 0 | 0 | 112.6 | E137 N138 K139 V144 A145 | E137-L141 HydrophobicContact CG-CD1 4.26Å; E137-L141 VanDerWaalsContact O-CG 3.32Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.14Å; N138-L141 PolarHBondContact O-N 3.08Å; K139-L141 VanDerWaalsContact C-N 3.31Å; K139-L141 PolarHBondContact O-N 2.85Å; L141-V144 PolarHBondContact O-N 3.29Å; L141-A145 WeakPolarHBondContact O-CB 3.33Å; L141-A145 PolarHBondContact O-N 3Å |
| 142 | A | 97.9 | Very high | 97.8 | Very high | 48 Ų | 48 | 97.2 Ų | 97.2 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N138 K139 V144 A145 E146 | N138-A142 WeakPolarHBondContact O-CB 3.26Å; N138-A142 PolarHBondContact O-N 2.9Å; K139-A142 PolarHBondContact O-N 3.38Å; A142-V144 VanDerWaalsContact C-N 3.32Å; A142-V144 PolarHBondContact O-N 3.38Å; A142-A145 WeakPolarHBondContact O-CB 3.48Å; A142-A145 PolarHBondContact O-N 3.38Å; A142-A145 VanDerWaalsContact O-N 3.15Å; A142-E146 WeakPolarHBondContact O-CG 3.4Å; A142-E146 PolarHBondContact O-N 3.5Å |
| 143 | E | 97.8 | Very high | 97.5 | Very high | 104 Ų | 104 | 98.5 Ų | 98.5 | 49% | 0.486 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 176.2 | -70.5 | 174.2 | -165.6 | 0 | 0 | 111.9 | K139 E140 H147 | K139-E143 WeakPolarHBondContact CE-OE1 3.42Å; K139-E143 WeakPolarHBondContact O-CG 3.25Å; K139-E143 PolarHBondContact O-N 3.37Å; E140-E143 PolarHBondContact O-N 2.95Å; E143-H147 WeakPolarHBondContact O-CB 3.38Å; E143-H147 PolarHBondContact O-N 3.48Å |
| 144 | V | 98.2 | Very high | 97.3 | Very high | 90 Ų | 90 | 95.3 Ų | 95.3 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | E140 L141 A142 H147 V148 | E140-V144 WeakPolarHBondContact O-CG2 3.39Å; E140-V144 PolarHBondContact O-N 3.43Å; E140-V144 VanDerWaalsContact O-N 3.1Å; L141-V144 PolarHBondContact O-N 3.29Å; A142-V144 VanDerWaalsContact C-N 3.32Å; A142-V144 PolarHBondContact O-N 3.38Å; V144-H147 PolarHBondContact O-N 2.97Å; V144-V148 HydrophobicContact CG1-CG2 4.4Å; V144-V148 VanDerWaalsContact O-CG2 3.32Å; V144-V148 WeakPolarHBondContact O-CG2 3.23Å; V144-V148 PolarHBondContact O-N 3.16Å |
| 145 | A | 97.4 | Very high | 97 | Very high | 58 Ų | 58 | 96.6 Ų | 96.6 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L141 A142 H147 V148 Q149 | L141-A145 WeakPolarHBondContact O-CB 3.33Å; L141-A145 PolarHBondContact O-N 3Å; A142-A145 WeakPolarHBondContact O-CB 3.48Å; A142-A145 PolarHBondContact O-N 3.38Å; A142-A145 VanDerWaalsContact O-N 3.15Å; A145-H147 PolarHBondContact O-N 3.36Å; A145-V148 PolarHBondContact O-N 3.46Å; A145-Q149 WeakPolarHBondContact O-CB 3.37Å; A145-Q149 PolarHBondContact O-N 3.35Å |
| 146 | E | 97 | Very high | 96.5 | Very high | 130 Ų | 130 | 91.7 Ų | 91.7 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.2 | -46.7 | 174 | -73.6 | 177.8 | -167.6 | 0 | 0 | 111.5 | A142 V148 Q149 Y150 | A142-E146 WeakPolarHBondContact O-CG 3.4Å; A142-E146 PolarHBondContact O-N 3.5Å; E146-V148 PolarHBondContact O-N 2.87Å; E146-Q149 PolarHBondContact O-N 3.05Å; E146-Y150 PolarHBondContact O-N 3.21Å |
| 147 | H | 97.7 | Very high | 96.1 | Very high | 113 Ų | 113 | 93.5 Ų | 93.5 | 52% | 0.523 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 178.5 | -176.2 | -96.2 | 0 | 0 | 0 | 112.2 | E143 V144 A145 Y150 M151 | E143-H147 WeakPolarHBondContact O-CB 3.38Å; E143-H147 PolarHBondContact O-N 3.48Å; V144-H147 PolarHBondContact O-N 2.97Å; A145-H147 PolarHBondContact O-N 3.36Å; H147-Y150 PolarHBondContact O-N 3.12Å; H147-M151 WeakPolarHBondContact O-CB 3.28Å; H147-M151 WeakPolarHBondContact O-CG 3.34Å; H147-M151 PolarHBondContact O-N 2.99Å |
| 148 | V | 97.4 | Very high | 95.8 | Very high | 89 Ų | 89 | 96 Ų | 96 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | V144 A145 E146 M151 A152 | V144-V148 HydrophobicContact CG1-CG2 4.4Å; V144-V148 VanDerWaalsContact O-CG2 3.32Å; V144-V148 WeakPolarHBondContact O-CG2 3.23Å; V144-V148 PolarHBondContact O-N 3.16Å; A145-V148 PolarHBondContact O-N 3.46Å; E146-V148 PolarHBondContact O-N 2.87Å; V148-M151 PolarHBondContact O-N 3.38Å; V148-A152 WeakPolarHBondContact O-CB 3.37Å; V148-A152 PolarHBondContact O-N 3.18Å |
| 149 | Q | 96.3 | Very high | 95.2 | Very high | 94 Ų | 94 | 96.9 Ų | 96.9 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 175.3 | -176.4 | 172.7 | -3 | 0 | 0 | 111.2 | A145 E146 M151 A152 E153 | A145-Q149 WeakPolarHBondContact O-CB 3.37Å; A145-Q149 PolarHBondContact O-N 3.35Å; E146-Q149 PolarHBondContact O-N 3.05Å; Q149-M151 VanDerWaalsContact C-N 3.33Å; Q149-M151 PolarHBondContact O-N 3.4Å; Q149-A152 WeakPolarHBondContact O-CB 3.49Å; Q149-A152 PolarHBondContact O-N 3.01Å; Q149-A152 VanDerWaalsContact O-N 3.16Å; Q149-E153 WeakPolarHBondContact O-CG 3.41Å; Q149-E153 PolarHBondContact O-N 3.26Å |
| 150 | Y | 96.9 | Very high | 94 | Very high | 123 Ų | 123 | 93.7 Ų | 93.7 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 175.3 | 172.3 | -103 | 0 | 0 | 0 | 112.6 | E146 H147 A152 E153 L154 | E146-Y150 PolarHBondContact O-N 3.21Å; H147-Y150 PolarHBondContact O-N 3.12Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-A152 PolarHBondContact O-N 3.18Å; Y150-E153 PolarHBondContact O-N 3.03Å; Y150-L154 WeakPolarHBondContact O-CB 3.44Å; Y150-L154 PolarHBondContact O-N 3.21Å |
| 151 | M | 96.7 | Very high | 92.7 | Very high | 80 Ų | 80 | 96.1 Ų | 96.1 | 39% | 0.394 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 178 | -69.4 | -68.1 | -67.7 | 0 | 0 | 112 | H147 V148 Q149 L154 I155 | H147-M151 WeakPolarHBondContact O-CB 3.28Å; H147-M151 WeakPolarHBondContact O-CG 3.34Å; H147-M151 PolarHBondContact O-N 2.99Å; V148-M151 PolarHBondContact O-N 3.38Å; Q149-M151 VanDerWaalsContact C-N 3.33Å; Q149-M151 PolarHBondContact O-N 3.4Å; M151-L154 PolarHBondContact O-N 2.86Å; M151-I155 VanDerWaalsContact O-CG1 3.29Å; M151-I155 WeakPolarHBondContact O-CG1 3.48Å; M151-I155 PolarHBondContact O-N 2.9Å |
| 152 | A | 94.6 | Very high | 90.9 | Very high | 54 Ų | 54 | 96.6 Ų | 96.6 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V148 Q149 Y150 L154 I155 E156 | V148-A152 WeakPolarHBondContact O-CB 3.37Å; V148-A152 PolarHBondContact O-N 3.18Å; Q149-A152 WeakPolarHBondContact O-CB 3.49Å; Q149-A152 PolarHBondContact O-N 3.01Å; Q149-A152 VanDerWaalsContact O-N 3.16Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-A152 PolarHBondContact O-N 3.18Å; A152-L154 VanDerWaalsContact C-N 3.28Å; A152-L154 PolarHBondContact O-N 3.42Å; A152-I155 PolarHBondContact O-N 3.27Å; A152-E156 WeakPolarHBondContact O-CB 3.38Å; A152-E156 PolarHBondContact O-N 3.49Å |
| 153 | E | 92.3 | Very high | 88.9 | Confident | 86 Ų | 86 | 98.9 Ų | 98.9 | 40% | 0.402 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.7 | -37.9 | 175.6 | -69.7 | 173.4 | -163.5 | 0 | 0 | 112.3 | Q149 Y150 R157 | Q149-E153 WeakPolarHBondContact O-CG 3.41Å; Q149-E153 PolarHBondContact O-N 3.26Å; Y150-E153 PolarHBondContact O-N 3.03Å; E153-R157 WeakPolarHBondContact O-CB 3.19Å; E153-R157 PolarHBondContact O-N 2.95Å |
| 154 | L | 95.3 | Very high | 86.8 | Confident | 55 Ų | 55 | 101.7 Ų | 101.7 | 29% | 0.288 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 178.2 | -169.4 | 65.6 | 0 | 0 | 0 | 111.7 | Y150 M151 A152 E156 R157 L158 | Y150-L154 WeakPolarHBondContact O-CB 3.44Å; Y150-L154 PolarHBondContact O-N 3.21Å; M151-L154 PolarHBondContact O-N 2.86Å; A152-L154 VanDerWaalsContact C-N 3.28Å; A152-L154 PolarHBondContact O-N 3.42Å; L154-E156 VanDerWaalsContact C-N 3.34Å; L154-R157 PolarHBondContact O-N 3.4Å; L154-L158 HydrophobicContact CG-CD1 4.42Å; L154-L158 VanDerWaalsContact O-CG 3.23Å; L154-L158 WeakPolarHBondContact O-CG 3.4Å; L154-L158 PolarHBondContact O-N 3.04Å; L154-L158 VanDerWaalsContact O-N 3.11Å |
| 155 | I | 93.4 | Very high | 84.9 | Confident | 95 Ų | 95 | 106.2 Ų | 106.2 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -44.6 | 175.8 | -70 | 166.1 | 0 | 0 | 0 | 110.2 | M151 A152 L158 N159 | M151-I155 VanDerWaalsContact O-CG1 3.29Å; M151-I155 WeakPolarHBondContact O-CG1 3.48Å; M151-I155 PolarHBondContact O-N 2.9Å; A152-I155 PolarHBondContact O-N 3.27Å; I155-L158 PolarHBondContact O-N 3.34Å; I155-N159 WeakPolarHBondContact CG2-ND2 3.24Å; I155-N159 WeakPolarHBondContact O-CB 3.45Å; I155-N159 VanDerWaalsContact O-CG 3.29Å; I155-N159 PolarHBondContact O-N 3.02Å; I155-N159 PolarHBondContact O-ND2 2.85Å |
| 156 | E | 87.8 | Confident | 82.9 | Confident | 45 Ų | 45 | 110.6 Ų | 110.6 | 21% | 0.21 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -59.2 | -49.1 | 177.8 | -176.8 | -173.2 | 171.2 | 0 | 0 | 111.7 | A152 L154 L158 N159 G160 E161 L163 | A152-E156 WeakPolarHBondContact O-CB 3.38Å; A152-E156 PolarHBondContact O-N 3.49Å; L154-E156 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.69Å; E156-N159 PolarHBondContact O-N 3.43Å; E156-G160 PolarHBondContact O-N 2.69Å; E156-E161 WeakPolarHBondContact CG-O 3.32Å; E156-E161 VanDerWaalsContact OE1-O 3.14Å; E156-L163 HydrophobicContact CG-CD1 4.49Å; E156-L163 WeakPolarHBondContact OE1-CB 3.38Å; E156-L163 WeakPolarHBondContact OE1-CD1 3.43Å; E156-L163 PolarHBondContact OE1-N 2.85Å |
| 157 | R | 90.4 | Very high | 80.8 | Confident | 176 Ų | 176 | 114.1 Ų | 114.1 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -57.1 | -37.7 | 176 | -173.4 | -174.1 | -58.3 | 164.4 | 5.4 | 112.4 | E153 L154 | E153-R157 WeakPolarHBondContact O-CB 3.19Å; E153-R157 PolarHBondContact O-N 2.95Å; L154-R157 PolarHBondContact O-N 3.4Å |
| 158 | L | 90.6 | Very high | 78.6 | Confident | 134 Ų | 134 | 113.8 Ų | 113.8 | 70% | 0.702 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.3 | -30.9 | 178.4 | -69.7 | 170.3 | 0 | 0 | 0 | 112.6 | L154 I155 E156 | L154-L158 HydrophobicContact CG-CD1 4.42Å; L154-L158 VanDerWaalsContact O-CG 3.23Å; L154-L158 WeakPolarHBondContact O-CG 3.4Å; L154-L158 PolarHBondContact O-N 3.04Å; L154-L158 VanDerWaalsContact O-N 3.11Å; I155-L158 PolarHBondContact O-N 3.34Å; E156-L158 PolarHBondContact O-N 2.69Å |
| 159 | N | 87.6 | Confident | 76.5 | Confident | 122 Ų | 122 | 115.6 Ų | 115.6 | 65% | 0.652 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -84.2 | -15.3 | 179 | -70.3 | -18 | 0 | 0 | 0 | 113.3 | I155 E156 | I155-N159 WeakPolarHBondContact CG2-ND2 3.24Å; I155-N159 WeakPolarHBondContact O-CB 3.45Å; I155-N159 VanDerWaalsContact O-CG 3.29Å; I155-N159 PolarHBondContact O-N 3.02Å; I155-N159 PolarHBondContact O-ND2 2.85Å; E156-N159 PolarHBondContact O-N 3.43Å |
| 160 | G | 72.1 | Confident | 74.1 | Confident | 69 Ų | 69 | 117.4 Ų | 117.4 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.6 | 20.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E156 | E156-G160 PolarHBondContact O-N 2.69Š|
| 161 | E | 70.8 | Confident | 72.1 | Confident | 152 Ų | 152 | 119 Ų | 119 | 71% | 0.71 | 63% | 0.626 | S | S | * | * | trans | -106.5 | 127.5 | 179.2 | -164.9 | 170.1 | -147 | 0 | 0 | 109.3 | E156 | E156-E161 WeakPolarHBondContact CG-O 3.32Å; E156-E161 VanDerWaalsContact OE1-O 3.14Å | ||
| 162 | P | 59.7 | Low | 70 | Confident | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 64% | 0.64 | S | S | * | * | trans | -90.6 | 131.3 | -179.6 | 31.6 | -30.9 | 0 | 0 | 0 | 113.2 | D164 | P162-D164 PolarHBondContact O-N 3.24Å; P162-D164 VanDerWaalsContact O-N 3.1Å | ||
| 163 | L | 57.2 | Low | 67.7 | Low | 96 Ų | 96 | 127.1 Ų | 127.1 | 50% | 0.503 | 65% | 0.653 | S | S | . | * | trans | -70.6 | 93.8 | 166.4 | -109.6 | 55.7 | 0 | 0 | 0 | 110.4 | E156 K165 F166 | E156-L163 HydrophobicContact CG-CD1 4.49Å; E156-L163 WeakPolarHBondContact OE1-CB 3.38Å; E156-L163 WeakPolarHBondContact OE1-CD1 3.43Å; E156-L163 PolarHBondContact OE1-N 2.85Å; L163-K165 PolarHBondContact O-N 2.98Å; L163-F166 HydrophobicContact CD2-CD2 3.08Å; L163-F166 HydrophobicContact CD2-CE2 3.38Å; L163-F166 HydrophobicContact CD2-CG 4.04Å; L163-F166 HydrophobicContact CG-CD2 3.71Å; L163-F166 HydrophobicContact CG-CE2 3.94Å | ||
| 164 | D | 53.8 | Low | 65.3 | Low | 164 Ų | 164 | 132.7 Ų | 132.7 | 88% | 0.877 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -67.9 | 117.7 | 141.7 | -84.1 | -29.9 | 0 | 0 | 0 | 106.7 | P162 | P162-D164 PolarHBondContact O-N 3.24Å; P162-D164 VanDerWaalsContact O-N 3.1Å |
| 165 | K | 57.2 | Low | 62.9 | Low | 184 Ų | 184 | 136 Ų | 136 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | trans | 99.9 | 65.7 | 164.2 | -155.8 | 177.4 | -173 | -72.4 | 0 | 118.1 | L163 | L163-K165 PolarHBondContact O-N 2.98Š| ||
| 166 | F | 57.2 | Low | 60.8 | Low | 151 Ų | 151 | 136.2 Ų | 136.2 | 66% | 0.662 | 70% | 0.704 | S | S | * | * | trans | -123.3 | 12.3 | 146 | -85.7 | -96.8 | 0 | 0 | 0 | 113.4 | L163 S168 | L163-F166 HydrophobicContact CD2-CD2 3.08Å; L163-F166 HydrophobicContact CD2-CE2 3.38Å; L163-F166 HydrophobicContact CD2-CG 4.04Å; L163-F166 HydrophobicContact CG-CD2 3.71Å; L163-F166 HydrophobicContact CG-CE2 3.94Å; F166-S168 PolarHBondContact O-N 3.38Å | ||
| 167 | E | 50.9 | Low | 58.9 | Low | 203 Ų | 203 | 142.3 Ų | 142.3 | 95% | 0.949 | 73% | 0.733 | S | S | * | * | trans | -76.1 | 29.2 | -176.5 | -139.8 | 178.2 | -148.4 | 0 | 0 | 114.4 | ||||
| 168 | S | 51.8 | Low | 56.7 | Low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | -119.3 | 49.1 | 165.1 | 75.8 | 0 | 0 | 0 | 0 | 110.2 | F166 D170 | F166-S168 PolarHBondContact O-N 3.38Å; S168-D170 PolarHBondContact O-N 3.47Å | ||
| 169 | L | 54.4 | Low | 54.6 | Low | 126 Ų | 126 | 142.4 Ų | 142.4 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | trans | -68.5 | 87.4 | 154.2 | -96.4 | 147.8 | 0 | 0 | 0 | 106.2 | N171 | L169-N171 VanDerWaalsContact C-N 3.26Å; L169-N171 PolarHBondContact O-N 3.17Å; L169-N171 PolarHBondContact O-ND2 2.8Å; L169-N171 VanDerWaalsContact O-ND2 3.1Å | ||
| 170 | D | 46.4 | Very low | 52.5 | Low | 132 Ų | 132 | 141.6 Ų | 141.6 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -59.8 | 93.6 | 170.4 | -170.6 | 21.8 | 0 | 0 | 0 | 107.8 | S168 Q172 | S168-D170 PolarHBondContact O-N 3.47Å; D170-Q172 PolarHBondContact O-N 3.04Å | ||
| 171 | N | 55 | Low | 51.6 | Low | 158 Ų | 158 | 143.9 Ų | 143.9 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | -66.5 | 82 | 165.7 | -66.9 | -77.2 | 0 | 0 | 0 | 107.3 | L169 | L169-N171 VanDerWaalsContact C-N 3.26Å; L169-N171 PolarHBondContact O-N 3.17Å; L169-N171 PolarHBondContact O-ND2 2.8Å; L169-N171 VanDerWaalsContact O-ND2 3.1Å | ||
| 172 | Q | 51.1 | Low | 50.4 | Low | 147 Ų | 147 | 145.3 Ų | 145.3 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | trans | -133.9 | 88.4 | 169 | -167.8 | 145.1 | 46 | 0 | 0 | 111.2 | D170 | D170-Q172 PolarHBondContact O-N 3.04Š| ||
| 173 | E | 46.1 | Very low | 49.4 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | trans | 72.9 | 77.6 | 138.7 | -154.5 | 166 | -159.8 | 0 | 0 | 117.3 | D175 | E173-D175 PolarHBondContact O-N 2.69Š| ||
| 174 | F | 41.9 | Very low | 49.1 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -81.9 | 91.7 | 146.6 | -92.5 | -87.6 | 0 | 0 | 0 | 108.1 | S176 | F174-S176 VanDerWaalsContact C-N 3.31Å; F174-S176 PolarHBondContact O-N 3.37Å; F174-S176 PolarHBondContact O-OG 2.9Å | ||
| 175 | D | 45.9 | Very low | 48.7 | Very low | 126 Ų | 126 | 144 Ų | 144 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | -63.1 | 94.7 | 167.5 | -167.8 | 14.6 | 0 | 0 | 0 | 108.4 | E173 E177 | E173-D175 PolarHBondContact O-N 2.69Å; D175-E177 PolarHBondContact O-N 3.24Å | ||
| 176 | S | 50 | Low | 47.9 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | -94.1 | 82 | 176.4 | -52.9 | 0 | 0 | 0 | 0 | 106.6 | F174 E178 | F174-S176 VanDerWaalsContact C-N 3.31Å; F174-S176 PolarHBondContact O-N 3.37Å; F174-S176 PolarHBondContact O-OG 2.9Å; S176-E178 PolarHBondContact O-N 3.1Å | ||
| 177 | E | 47.1 | Very low | 47.2 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -64.2 | 106.2 | 168.7 | 53.2 | -164.8 | 160.8 | 0 | 0 | 109 | D175 D179 | D175-E177 PolarHBondContact O-N 3.24Å; E177-D179 PolarHBondContact O-N 2.7Å | ||
| 178 | E | 44.4 | Very low | 46.7 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | trans | -66.7 | 109.7 | 175.5 | -177.9 | 178.6 | 176.5 | 0 | 0 | 109.4 | S176 T180 | S176-E178 PolarHBondContact O-N 3.1Å; E178-T180 VanDerWaalsContact C-N 3.34Å; E178-T180 HydrophobicContact CG-CG2 4.13Å; E178-T180 PolarHBondContact O-N 2.87Å | ||
| 179 | D | 45.8 | Very low | 46.6 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -76.6 | 87.1 | 171.4 | -151.9 | 6 | 0 | 0 | 0 | 108.1 | E177 V181 | E177-D179 PolarHBondContact O-N 2.7Å; D179-V181 VanDerWaalsContact C-N 3.27Å; D179-V181 PolarHBondContact O-N 3.26Å | ||
| 180 | T | 44.5 | Very low | 46.1 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | trans | -66.5 | 86.7 | 172.4 | 48 | 0 | 0 | 0 | 0 | 109.7 | E178 E182 | E178-T180 VanDerWaalsContact C-N 3.34Å; E178-T180 HydrophobicContact CG-CG2 4.13Å; E178-T180 PolarHBondContact O-N 2.87Å; T180-E182 PolarHBondContact O-N 2.76Å | ||
| 181 | V | 52.3 | Low | 46.1 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -78.3 | 95.5 | 161.6 | 174.1 | 0 | 0 | 0 | 0 | 107.5 | D179 D183 | D179-V181 VanDerWaalsContact C-N 3.27Å; D179-V181 PolarHBondContact O-N 3.26Å; V181-D183 VanDerWaalsContact C-N 3.35Å; V181-D183 HydrophobicContact CG1-CB 4.41Å; V181-D183 PolarHBondContact O-N 3.2Å; V181-D183 VanDerWaalsContact O-N 3.11Å | ||
| 182 | E | 46 | Very low | 45.3 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -74.2 | 91.1 | 162.2 | -68.5 | -150.4 | 176.9 | 0 | 0 | 109.2 | T180 | T180-E182 PolarHBondContact O-N 2.76Š| ||
| 183 | D | 38.7 | Very low | 44.6 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | trans | -88 | 93.9 | 160.6 | -171.4 | 24.3 | 0 | 0 | 0 | 108.6 | V181 V185 | V181-D183 VanDerWaalsContact C-N 3.35Å; V181-D183 HydrophobicContact CG1-CB 4.41Å; V181-D183 PolarHBondContact O-N 3.2Å; V181-D183 VanDerWaalsContact O-N 3.11Å; D183-V185 VanDerWaalsContact C-N 3.34Å; D183-V185 PolarHBondContact O-N 2.86Å; D183-V185 VanDerWaalsContact O-N 3.13Å | ||
| 184 | S | 50.6 | Low | 44.3 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -79.5 | 86.9 | 169.6 | -170.5 | 0 | 0 | 0 | 0 | 108.9 | G186 | S184-G186 PolarHBondContact O-N 2.83Š| ||
| 185 | V | 46.1 | Very low | 44.5 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 62% | 0.624 | 77% | 0.773 | S | S | * | * | trans | -74.6 | 97.3 | 161.8 | 172.4 | 0 | 0 | 0 | 0 | 107.9 | D183 E187 | D183-V185 VanDerWaalsContact C-N 3.34Å; D183-V185 PolarHBondContact O-N 2.86Å; D183-V185 VanDerWaalsContact O-N 3.13Å; V185-E187 HydrophobicContact CG1-CG 4.37Å; V185-E187 PolarHBondContact O-N 2.92Å | ||
| 186 | G | 40.3 | Very low | 44.7 | Very low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -78.6 | 104.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | S184 | S184-G186 PolarHBondContact O-N 2.83Š| ||
| 187 | E | 42.8 | Very low | 44.2 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -62 | 130.8 | 164.1 | -58.8 | -170.5 | 144.8 | 0 | 0 | 109.2 | V185 | V185-E187 HydrophobicContact CG1-CG 4.37Å; V185-E187 PolarHBondContact O-N 2.92Å | ||
| 188 | D | 39.9 | Very low | 44.2 | Very low | 167 Ų | 167 | 132 Ų | 132 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -143 | 107 | 141.8 | -99.3 | -24.9 | 0 | 0 | 0 | 107.9 | ||||
| 189 | S | 48.4 | Very low | 44.2 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -69.2 | 123.1 | 166.1 | -78.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 190 | E | 45.1 | Very low | 44.5 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -135.1 | 111 | 149.9 | -146.5 | 170.9 | -170.6 | 0 | 0 | 110.8 | ||||
| 191 | I | 45.8 | Very low | 44.7 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -50 | 136.4 | 169.9 | -172.3 | 83 | 0 | 0 | 0 | 111.5 | ||||
| 192 | G | 38.4 | Very low | 44.8 | Very low | 59 Ų | 59 | 129.5 Ų | 129.5 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | trans | -175.1 | 66.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 193 | T | 36.2 | Very low | 45 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | 72.7 | 129.5 | 151.5 | 58.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 194 | C | 39.6 | Very low | 45.4 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 86% | 0.858 | 80% | 0.799 | S | S | * | * | trans | -84 | 143.3 | -176.7 | 24.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 195 | A | 46.9 | Very low | 45.2 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -142.3 | 114.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 196 | E | 49.2 | Very low | 46 | Very low | 183 Ų | 183 | 131.9 Ų | 131.9 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -65.6 | 135.4 | 178.8 | -62.6 | -178 | 144.2 | 0 | 0 | 111.4 | ||||
| 197 | G | 40.6 | Very low | 47 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -131.5 | 82 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V199 | G197-V199 PolarHBondContact O-N 3.06Š| ||
| 198 | I | 47.8 | Very low | 47.5 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | trans | -69.2 | 115.6 | 172.2 | -62.1 | 168 | 0 | 0 | 0 | 107.7 | ||||
| 199 | V | 44.4 | Very low | 48 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | trans | -114.4 | 92 | 162.8 | -174.9 | 0 | 0 | 0 | 0 | 107.3 | G197 | G197-V199 PolarHBondContact O-N 3.06Š| ||
| 200 | S | 50.5 | Low | 48 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 84% | 0.837 | S | S | * | * | trans | -73.7 | 121.1 | 169.4 | -65 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 201 | S | 48.5 | Very low | 48.2 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | -67 | 131.6 | 160.3 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 202 | S | 55.4 | Low | 48.3 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -151.6 | 147.7 | 155.8 | -160.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 203 | T | 50.8 | Low | 48.9 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 77% | 0.773 | 85% | 0.846 | S | S | * | * | trans | -84.7 | 153.2 | -159.4 | 43.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 204 | D | 46.1 | Very low | 49.7 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | trans | 51.9 | 115.9 | 131.1 | -163.2 | 53.5 | 0 | 0 | 0 | 120.8 | ||||
| 205 | A | 47 | Very low | 50.3 | Low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | 175.2 | 146.5 | 123.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 206 | K | 62.7 | Low | 50.6 | Low | 198 Ų | 198 | 139.6 Ų | 139.6 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | trans | -48.2 | 154.4 | -173.2 | -70.9 | 166.8 | 172.6 | 165.5 | 0 | 118.3 | ||||
| 207 | P | 61.1 | Low | 50.7 | Low | 131 Ų | 131 | 136.2 Ų | 136.2 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | trans | -87.5 | 135.3 | 161.7 | 35.2 | -27.5 | 0 | 0 | 0 | 110.9 | ||||
| 208 | C | 52.5 | Low | 51.6 | Low | 124 Ų | 124 | 141.6 Ų | 141.6 | 84% | 0.838 | 85% | 0.849 | S | S | * | * | trans | -134.6 | 111.5 | 161.8 | -159.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 209 | L | 51.7 | Low | 51.9 | Low | 249 Ų | 249 | 141.9 Ų | 141.9 | 100% | 1.304 | 86% | 0.862 | S | S | * | * | trans | -177.4 | 0 | 139.8 | -88.3 | -174.5 | 0 | 0 | 0 | 108 |
Retrieved 209 of 209 residues in 27.1 ms
(Link to these results)