| 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 | 47.2 | Very low | 46.6 | Very low | 241 Ų | 241 | 136.9 Ų | 136.9 | 100% | 1.187 | 88% | 0.882 | S | S | * | * | 0 | 116.5 | 0 | -77.1 | -177.3 | 167.6 | 0 | 0 | 107.4 | |||||
| 2 | N | 51.9 | Low | 46.6 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 87% | 0.866 | 88% | 0.875 | S | S | * | * | trans | 61.2 | 96.7 | 170.7 | -63.2 | 8.8 | 0 | 0 | 0 | 119.4 | ||||
| 3 | D | 40.5 | Very low | 47 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 86% | 0.861 | 87% | 0.866 | S | S | * | * | trans | -59.2 | 140.5 | 149.9 | -60.8 | -58 | 0 | 0 | 0 | 111.3 | ||||
| 4 | S | 59.9 | Low | 47.6 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 85% | 0.853 | 86% | 0.856 | S | S | * | * | trans | -156.2 | 105.6 | 154.3 | -78.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 5 | N | 46.3 | Very low | 48.4 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 90% | 0.898 | 86% | 0.857 | S | S | * | * | trans | -59.5 | 134.3 | 167.9 | -87.1 | -36.4 | 0 | 0 | 0 | 111.3 | ||||
| 6 | C | 48.9 | Very low | 49.7 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 91% | 0.905 | 86% | 0.857 | S | S | * | * | trans | -131.6 | 129.5 | 154 | -90.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 7 | A | 45.2 | Very low | 50.9 | Low | 101 Ų | 101 | 137.4 Ų | 137.4 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -72.5 | 148.3 | -161.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G9 | A7-G9 PolarHBondContact O-N 3.07Š| ||
| 8 | A | 43.3 | Very low | 52 | Low | 108 Ų | 108 | 139.2 Ų | 139.2 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | trans | -66.3 | 115.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 9 | G | 39 | Very low | 52.3 | Low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | trans | -96.2 | 103.6 | 163 | 0 | 0 | 0 | 0 | 0 | 109.4 | A7 S11 | A7-G9 PolarHBondContact O-N 3.07Å; G9-S11 PolarHBondContact O-N 3.38Å; G9-S11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | S | 43.1 | Very low | 53.4 | Low | 120 Ų | 120 | 139.6 Ų | 139.6 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | trans | -67.7 | 104.8 | 172.9 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | S12 | S10-S12 PolarHBondContact O-N 3.28Š| ||
| 11 | S | 47.2 | Very low | 54.2 | Low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -76.6 | 103.7 | 167.5 | 56.3 | 0 | 0 | 0 | 0 | 109.3 | G9 S13 | G9-S11 PolarHBondContact O-N 3.38Å; G9-S11 VanDerWaalsContact O-N 3.16Å; S11-S13 PolarHBondContact O-N 3.47Å; S11-S13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | S | 47 | Very low | 55.3 | Low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -68.1 | 103 | 172.1 | 58.7 | 0 | 0 | 0 | 0 | 110.1 | S10 S14 | S10-S12 PolarHBondContact O-N 3.28Å; S12-S14 PolarHBondContact O-N 3.43Å; S12-S14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | S | 51.3 | Low | 56.4 | Low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -72.5 | 96.4 | 167.3 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | S11 E15 | S11-S13 PolarHBondContact O-N 3.47Å; S11-S13 VanDerWaalsContact O-N 3.12Å; S13-E15 PolarHBondContact O-N 3.45Å; S13-E15 VanDerWaalsContact O-N 3.16Å | ||
| 14 | S | 55.3 | Low | 58 | Low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -79 | 90.5 | 168.6 | 65.9 | 0 | 0 | 0 | 0 | 109.2 | S12 R16 | S12-S14 PolarHBondContact O-N 3.43Å; S12-S14 VanDerWaalsContact O-N 3.14Å; S14-R16 PolarHBondContact O-N 3.44Å | ||
| 15 | E | 60.1 | Low | 58.4 | Low | 185 Ų | 185 | 137.1 Ų | 137.1 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -63.8 | 113.9 | 166.7 | -75.9 | -174.3 | 158.6 | 0 | 0 | 109 | S13 | S13-E15 PolarHBondContact O-N 3.45Å; S13-E15 VanDerWaalsContact O-N 3.16Å | ||
| 16 | R | 69.9 | Low | 59 | Low | 228 Ų | 228 | 133.5 Ų | 133.5 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -68.2 | 130.8 | 172.9 | -71.1 | 178.7 | 178.1 | 169.1 | 0.1 | 108.2 | S14 L18 | S14-R16 PolarHBondContact O-N 3.44Å; R16-L18 PolarHBondContact O-N 3.34Å | ||
| 17 | P | 68.7 | Low | 59.8 | Low | 90 Ų | 90 | 133.5 Ų | 133.5 | 58% | 0.584 | 77% | 0.772 | S | S | * | * | trans | -59.2 | 130.1 | 175.2 | 23.6 | -31.9 | 0 | 0 | 0 | 109.8 | F19 V20 | P17-F19 PolarHBondContact O-N 3.11Å; P17-V20 HydrophobicContact CG-CG2 3.9Å | ||
| 18 | L | 71.6 | Confident | 60.4 | Low | 171 Ų | 171 | 135.3 Ų | 135.3 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -55.2 | -11 | -179.5 | -97.3 | 157.3 | 0 | 0 | 0 | 114.4 | R16 | R16-L18 PolarHBondContact O-N 3.34Š|
| 19 | F | 56.7 | Low | 60.7 | Low | 169 Ų | 169 | 134 Ų | 134 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -149.8 | 118.6 | 174.2 | 37.3 | -88.9 | 0 | 0 | 0 | 109.4 | P17 | P17-F19 PolarHBondContact O-N 3.11Š| ||
| 20 | V | 74.8 | Confident | 61.3 | Low | 117 Ų | 117 | 135.8 Ų | 135.8 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | trans | -103.9 | 114.7 | 165.3 | 177.2 | 0 | 0 | 0 | 0 | 106.5 | P17 D22 | P17-V20 HydrophobicContact CG-CG2 3.9Å; V20-D22 PolarHBondContact O-N 3.04Å; V20-D22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | I | 70.8 | Confident | 61.7 | Low | 136 Ų | 136 | 133.3 Ų | 133.3 | 70% | 0.697 | 74% | 0.74 | S | S | * | * | trans | -70.8 | 110.4 | 171 | -61 | 171.8 | 0 | 0 | 0 | 106.7 | R23 | I21-R23 PolarHBondContact O-N 3.37Å; I21-R23 VanDerWaalsContact O-N 3.09Å | ||
| 22 | D | 70.6 | Confident | 61.7 | Low | 120 Ų | 120 | 134.1 Ų | 134.1 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | trans | -65.3 | 111.3 | 177.2 | -156.2 | -11.9 | 0 | 0 | 0 | 109.6 | V20 K24 | V20-D22 PolarHBondContact O-N 3.04Å; V20-D22 VanDerWaalsContact O-N 3.16Å; D22-K24 VanDerWaalsContact C-N 3.35Å; D22-K24 PolarHBondContact OD1-N 2.78Å | ||
| 23 | R | 74.4 | Confident | 61.7 | Low | 229 Ų | 229 | 135.3 Ų | 135.3 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | -92.6 | 4.6 | 179.9 | -71.7 | -174.7 | 174.5 | -178.5 | -0.4 | 112.4 | I21 | I21-R23 PolarHBondContact O-N 3.37Å; I21-R23 VanDerWaalsContact O-N 3.09Å | ||
| 24 | K | 73.8 | Confident | 61.6 | Low | 170 Ų | 170 | 137.6 Ų | 137.6 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -116.7 | 106.8 | 176.4 | -66.7 | -176.9 | -178.7 | 178.1 | 0 | 108.8 | D22 C26 | D22-K24 VanDerWaalsContact C-N 3.35Å; D22-K24 PolarHBondContact OD1-N 2.78Å; K24-C26 PolarHBondContact O-N 3.39Å |
| 25 | P | 67.7 | Low | 61.3 | Low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | -63 | 122.1 | 175 | 25.9 | -31.4 | 0 | 0 | 0 | 109.1 | T27 | P25-T27 PolarHBondContact O-N 3.17Å; P25-T27 VanDerWaalsContact O-N 3.08Å | ||
| 26 | C | 60.5 | Low | 60.5 | Low | 92 Ų | 92 | 133.8 Ų | 133.8 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | trans | -59.3 | 113.2 | 169.4 | -77.7 | 0 | 0 | 0 | 0 | 108.8 | K24 N28 A29 | K24-C26 PolarHBondContact O-N 3.39Å; C26-N28 PolarHBondContact O-N 2.98Å; C26-A29 HydrophobicContact CB-CB 4.29Å; C26-A29 PolarHBondContact O-N 3.24Å | ||
| 27 | T | 64.1 | Low | 59.2 | Low | 134 Ų | 134 | 129 Ų | 129 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -10.7 | 177.7 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | P25 | P25-T27 PolarHBondContact O-N 3.17Å; P25-T27 VanDerWaalsContact O-N 3.08Å |
| 28 | N | 58.2 | Low | 58 | Low | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 23.2 | -178.1 | -60.5 | -16.9 | 0 | 0 | 0 | 113 | C26 V30 | C26-N28 PolarHBondContact O-N 2.98Å; N28-V30 PolarHBondContact O-N 2.92Å |
| 29 | A | 50.7 | Low | 56.6 | Low | 80 Ų | 80 | 133.9 Ų | 133.9 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | trans | -70.4 | 83.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | C26 A31 | C26-A29 HydrophobicContact CB-CB 4.29Å; C26-A29 PolarHBondContact O-N 3.24Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.28Å | ||
| 30 | V | 51.3 | Low | 55.9 | Low | 113 Ų | 113 | 131.9 Ų | 131.9 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | -57 | 102.7 | 161.3 | 179.1 | 0 | 0 | 0 | 0 | 105.4 | N28 L33 | N28-V30 PolarHBondContact O-N 2.92Å; V30-L33 HydrophobicContact CG1-CD1 4.1Å; V30-L33 HydrophobicContact CG1-CG 4.17Å | ||
| 31 | A | 51.2 | Low | 54.5 | Low | 68 Ų | 68 | 132.1 Ų | 132.1 | 56% | 0.562 | 74% | 0.741 | S | S | * | * | trans | -45 | 137 | 164 | 0 | 0 | 0 | 0 | 0 | 106.7 | A29 L33 | A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.28Å; A31-L33 PolarHBondContact O-N 3.49Å | ||
| 32 | P | 46.9 | Very low | 53.1 | Low | 131 Ų | 131 | 131.5 Ų | 131.5 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -58.5 | 93.6 | 179.9 | 22.1 | -31.1 | 0 | 0 | 0 | 108.2 | L34 | P32-L34 PolarHBondContact O-N 3.01Å; P32-L34 VanDerWaalsContact O-N 3.14Å | ||
| 33 | L | 47.7 | Very low | 51.7 | Low | 139 Ų | 139 | 132.8 Ų | 132.8 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | trans | -63.2 | 116.6 | 172.8 | -68.5 | 175.5 | 0 | 0 | 0 | 102.8 | V30 A31 | V30-L33 HydrophobicContact CG1-CD1 4.1Å; V30-L33 HydrophobicContact CG1-CG 4.17Å; A31-L33 PolarHBondContact O-N 3.49Å | ||
| 34 | L | 49.6 | Very low | 49.9 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -41.1 | 129.6 | 160.1 | -69.2 | 167 | 0 | 0 | 0 | 106.8 | P32 | P32-L34 PolarHBondContact O-N 3.01Å; P32-L34 VanDerWaalsContact O-N 3.14Å | ||
| 35 | P | 47.3 | Very low | 48.4 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -52.9 | 133.1 | -175.9 | 19.9 | -30.7 | 0 | 0 | 0 | 108.7 | S37 | P35-S37 PolarHBondContact O-N 3.28Š| ||
| 36 | P | 44.4 | Very low | 47.1 | Very low | 95 Ų | 95 | 125 Ų | 125 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | trans | -57.9 | 140.9 | 178.8 | 24.7 | -32.8 | 0 | 0 | 0 | 108.7 | K38 | P36-K38 VanDerWaalsContact C-N 3.29Å; P36-K38 PolarHBondContact O-N 3.33Å | ||
| 37 | S | 42.8 | Very low | 46.2 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | -60.5 | 91.2 | 174.7 | 47.6 | 0 | 0 | 0 | 0 | 109.6 | P35 | P35-S37 PolarHBondContact O-N 3.28Š| ||
| 38 | K | 43.7 | Very low | 44.8 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | trans | -106.6 | 138.1 | 164.8 | -62 | -175.8 | -178.5 | -177.2 | 0 | 105.9 | P36 | P36-K38 VanDerWaalsContact C-N 3.29Å; P36-K38 PolarHBondContact O-N 3.33Å | ||
| 39 | F | 41.6 | Very low | 43.9 | Very low | 208 Ų | 208 | 128.1 Ų | 128.1 | 91% | 0.912 | 77% | 0.77 | S | S | * | * | trans | 90.3 | 74.5 | 178.4 | -46.2 | -70.3 | 0 | 0 | 0 | 116.5 | ||||
| 40 | T | 42.7 | Very low | 43.4 | Very low | 128 Ų | 128 | 133 Ų | 133 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | -147.9 | 118.1 | 118.1 | -153.9 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 41 | T | 44.6 | Very low | 42.7 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 133.7 | 167.9 | 36.7 | 0 | 0 | 0 | 0 | 108.5 | L43 | T41-L43 PolarHBondContact O-N 3.24Š|
| 42 | P | 41.8 | Very low | 42.1 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 130.9 | 175.4 | -14 | 27.3 | 0 | 0 | 0 | 109.8 | ||
| 43 | L | 40.5 | Very low | 41.7 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 142.1 | 168.2 | -72.5 | 169.3 | 0 | 0 | 0 | 109.1 | T41 G45 | T41-L43 PolarHBondContact O-N 3.24Å; L43-G45 PolarHBondContact O-N 3.39Å |
| 44 | P | 36.9 | Very low | 41.2 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 107.2 | 176.8 | -8.8 | 23.5 | 0 | 0 | 0 | 109.1 | ||
| 45 | G | 42.7 | Very low | 40.4 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 161.7 | -23.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | L43 K47 | L43-G45 PolarHBondContact O-N 3.39Å; G45-K47 PolarHBondContact O-N 3.14Å |
| 46 | D | 39.1 | Very low | 40.2 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -86.4 | 93.8 | 179.9 | -74.6 | -24.5 | 0 | 0 | 0 | 110.5 | C48 | D46-C48 PolarHBondContact O-N 3.44Š| ||
| 47 | K | 42.4 | Very low | 39.8 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | trans | -67.9 | 106.2 | 169.7 | -65.5 | -178.3 | 179.1 | -178.6 | 0 | 108.8 | G45 A49 | G45-K47 PolarHBondContact O-N 3.14Å; K47-A49 PolarHBondContact O-N 2.78Å | ||
| 48 | C | 35.7 | Very low | 39.8 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -63.1 | 111.6 | 164.2 | -58.3 | 0 | 0 | 0 | 0 | 108.8 | D46 E50 | D46-C48 PolarHBondContact O-N 3.44Å; C48-E50 PolarHBondContact O-N 3.22Å | ||
| 49 | A | 37.7 | Very low | 39.3 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -83.1 | 108.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | K47 | K47-A49 PolarHBondContact O-N 2.78Š| ||
| 50 | E | 40 | Very low | 39.6 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -70.9 | 159.7 | 175.5 | -102 | -127.9 | 137.8 | 0 | 0 | 113 | C48 | C48-E50 PolarHBondContact O-N 3.22Š| ||
| 51 | P | 37.9 | Very low | 39.4 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | trans | -93.9 | 152 | -162.5 | 36.9 | -31.8 | 0 | 0 | 0 | 113.3 | ||||
| 52 | A | 38.3 | Very low | 38.7 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -142.1 | 112.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 53 | L | 38.1 | Very low | 38.7 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -56.6 | 172.4 | 162.2 | -72.3 | 170.2 | 0 | 0 | 0 | 111.2 | ||||
| 54 | P | 37.5 | Very low | 38.5 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | cis | -149.1 | 174.9 | 32.4 | 38.1 | -13.8 | 0 | 0 | 0 | 119 | ||||
| 55 | A | 33.3 | Very low | 38.6 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -52.3 | 138.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 56 | T | 41.8 | Very low | 38.4 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -106.1 | 123.9 | 155.2 | 45.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 57 | K | 36.8 | Very low | 38.2 | Very low | 197 Ų | 197 | 136 Ų | 136 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -90.9 | 115.3 | 169.8 | -64.8 | 174.2 | 179.2 | 175.8 | 0 | 106.3 | ||||
| 58 | E | 41.7 | Very low | 38.3 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -127.7 | 116.3 | 164.7 | -69.7 | -70 | 153.5 | 0 | 0 | 106.7 | ||||
| 59 | A | 35.1 | Very low | 39 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -101.8 | 118.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 60 | E | 47.6 | Very low | 40 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -140.4 | 120.1 | 163.3 | -69.7 | -160.2 | 145.6 | 0 | 0 | 111.2 | ||||
| 61 | K | 37.7 | Very low | 41.8 | Very low | 212 Ų | 212 | 129.6 Ų | 129.6 | 92% | 0.922 | 77% | 0.774 | S | S | * | * | trans | 23.1 | 125.5 | 146.9 | -69.1 | 168.4 | 174.2 | 173.1 | 0 | 117.1 | ||||
| 62 | G | 31 | Very low | 44.2 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | cis | 131.3 | 81.4 | 25.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 63 | D | 39.9 | Very low | 46.7 | Very low | 152 Ų | 152 | 121.9 Ų | 121.9 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | -140.4 | 128.8 | 162.8 | -81.2 | -40.2 | 0 | 0 | 0 | 107.9 | S65 | D63-S65 PolarHBondContact O-N 3.39Š| ||
| 64 | P | 36.8 | Very low | 49.3 | Very low | 129 Ų | 129 | 116.5 Ų | 116.5 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | trans | -75.7 | 92.8 | -179.4 | 31 | -31.3 | 0 | 0 | 0 | 109.1 | ||||
| 65 | S | 39.1 | Very low | 52 | Low | 102 Ų | 102 | 111.1 Ų | 111.1 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | trans | -61 | 134.6 | 168.3 | 63.1 | 0 | 0 | 0 | 0 | 109.6 | D63 S67 | D63-S65 PolarHBondContact O-N 3.39Å; S65-S67 PolarHBondContact O-N 2.93Å | ||
| 66 | P | 38 | Very low | 54.8 | Low | 117 Ų | 117 | 108.2 Ų | 108.2 | 76% | 0.76 | 63% | 0.628 | S | S | * | * | trans | -62.1 | 128.9 | -177 | 25.7 | -32.2 | 0 | 0 | 0 | 109.5 | S68 | P66-S68 PolarHBondContact O-N 3.29Š| ||
| 67 | S | 36.1 | Very low | 56.9 | Low | 79 Ų | 79 | 103.7 Ų | 103.7 | 55% | 0.552 | 61% | 0.609 | S | S | * | * | trans | -53.7 | 90.2 | -180 | 43.4 | 0 | 0 | 0 | 0 | 111.8 | S65 S69 M70 | S65-S67 PolarHBondContact O-N 2.93Å; S67-S69 PolarHBondContact O-N 3.01Å; S67-M70 PolarHBondContact OG-SD 3.16Å | ||
| 68 | S | 43 | Very low | 59.4 | Low | 128 Ų | 128 | 99.4 Ų | 99.4 | 90% | 0.895 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 19.9 | -169.3 | 61.1 | 0 | 0 | 0 | 0 | 115.4 | P66 | P66-S68 PolarHBondContact O-N 3.29Š|
| 69 | S | 52.2 | Low | 61.5 | Low | 99 Ų | 99 | 94 Ų | 94 | 69% | 0.692 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | 9.5 | 177.9 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | S67 H71 | S67-S69 PolarHBondContact O-N 3.01Å; S69-H71 PolarHBondContact O-N 3.26Å; S69-H71 VanDerWaalsContact O-N 3.12Å |
| 70 | M | 58.9 | Low | 63.9 | Low | 96 Ų | 96 | 95.1 Ų | 95.1 | 47% | 0.473 | 56% | 0.562 | S | S | . | * | trans | -73.9 | 109.2 | -179.6 | -65.2 | -167.1 | 73.1 | 0 | 0 | 110.9 | S67 A72 P79 D80 | S67-M70 PolarHBondContact OG-SD 3.16Å; M70-A72 PolarHBondContact O-N 2.89Å; M70-P79 HydrophobicContact CB-CB 4.44Å; M70-D80 HydrophobicContact CE-CB 4.43Å; M70-D80 WeakPolarHBondContact CE-OD1 3.42Å | ||
| 71 | H | 76.6 | Confident | 65.9 | Low | 156 Ų | 156 | 88.2 Ų | 88.2 | 72% | 0.722 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 118.8 | 176.3 | -63.7 | -67.9 | 0 | 0 | 0 | 110.5 | S69 | S69-H71 PolarHBondContact O-N 3.26Å; S69-H71 VanDerWaalsContact O-N 3.12Å |
| 72 | A | 87.8 | Confident | 68.5 | Low | 50 Ų | 50 | 85.4 Ų | 85.4 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -74 | 141.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M70 F74 K78 | M70-A72 PolarHBondContact O-N 2.89Å; A72-F74 PolarHBondContact O-N 3.15Å; A72-K78 CarbonylContact C-O 3.6Å; A72-K78 WeakPolarHBondContact CA-O 3.49Å |
| 73 | C | 92.5 | Very high | 71.3 | Confident | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.02 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 130.8 | 175.8 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | N75 G77 K78 H81 C86 | C73-N75 PolarHBondContact O-N 3.16Å; C73-N75 PolarHBondContact SG-N 3.21Å; C73-N75 VanDerWaalsContact SG-N 3.41Å; C73-G77 WeakPolarHBondContact O-CA 3.33Å; C73-G77 PolarHBondContact O-N 3.16Å; C73-K78 PolarHBondContact N-O 2.86Å; C73-H81 WeakPolarHBondContact CA-O 3.34Å; C73-H81 WeakPolarHBondContact CB-NE2 3.39Å; C73-H81 WeakPolarHBondContact CB-O 3.39Å; C73-H81 PolarHBondContact SG-NE2 2.92Å; C73-C86 VanDerWaalsContact SG-SG 3.64Å |
| 74 | F | 91.7 | Very high | 73.7 | Confident | 51 Ų | 51 | 80.8 Ų | 80.8 | 22% | 0.224 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16.6 | 179.1 | -65.2 | -80.8 | 0 | 0 | 0 | 113.6 | A72 V83 V95 N98 R99 H102 | A72-F74 PolarHBondContact O-N 3.15Å; F74-V83 HydrophobicContact CB-CG2 3.6Å; F74-V83 HydrophobicContact CD2-CG2 4.01Å; F74-V83 HydrophobicContact CG-CG2 4.3Å; F74-V95 HydrophobicContact CB-CB 4.49Å; F74-V95 HydrophobicContact CB-CG1 4.12Å; F74-V95 HydrophobicContact CB-CG2 4.4Å; F74-V95 VanDerWaalsContact O-CA 3.3Å; F74-V95 WeakPolarHBondContact O-CA 3.49Å; F74-V95 PolarHBondContact O-N 2.8Å; F74-N98 HydrophobicContact CB-CB 4.31Å; F74-N98 HydrophobicContact CD1-CB 3.89Å; F74-N98 PolarHBondContact O-ND2 2.92Å; F74-R99 HydrophobicContact CD1-CG 3.79Å; F74-R99 HydrophobicContact CE1-CG 4.06Å; F74-R99 HydrophobicContact CG-CG 4.11Å; F74-H102 HydrophobicContact CE1-CB 3.62Å; F74-H102 AromaticContact CE1-CG 3.9Å; F74-H102 HydrophobicContact CZ-CB 4.23Å; F74-H102 AromaticContact CZ-CG 4Å |
| 75 | N | 94 | Very high | 76.3 | Confident | 10 Ų | 10 | 79.8 Ų | 79.8 | 5% | 0.053 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -61.1 | 178.8 | -170.5 | 41.3 | 0 | 0 | 0 | 111.4 | C73 V83 C86 E88 R89 S91 T94 V95 | C73-N75 PolarHBondContact O-N 3.16Å; C73-N75 PolarHBondContact SG-N 3.21Å; C73-N75 VanDerWaalsContact SG-N 3.41Å; N75-V83 HydrophobicContact CB-CG1 4.39Å; N75-C86 HydrophobicContact CB-CB 4.37Å; N75-C86 PolarHBondContact ND2-SG 3.05Å; N75-C86 VanDerWaalsContact ND2-SG 3.42Å; N75-E88 PolarHBondContact ND2-O 2.78Å; N75-E88 VanDerWaalsContact ND2-O 3.16Å; N75-R89 PolarHBondContact ND2-O 2.93Å; N75-S91 PolarHBondContact OD1-N 3.12Å; N75-T94 PolarHBondContact O-OG1 3.23Å; N75-T94 PolarHBondContact OD1-OG1 3.25Å; N75-V95 HydrophobicContact CB-CG2 3.95Å |
| 76 | C | 91.4 | Very high | 78.8 | Confident | 28 Ų | 28 | 76 Ų | 76 | 19% | 0.189 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -14.7 | -174.8 | 65.2 | 0 | 0 | 0 | 0 | 115 | K78 H81 C86 E88 | C76-K78 VanDerWaalsContact C-N 3.26Å; C76-K78 PolarHBondContact O-N 2.79Å; C76-H81 PolarHBondContact SG-CE1 3.18Å; C76-H81 PolarHBondContact SG-NE2 3.3Å; C76-C86 VanDerWaalsContact SG-SG 3.64Å; C76-E88 HydrophobicContact CB-CB 4.3Å; C76-E88 HydrophobicContact CB-CG 4.15Å; C76-E88 WeakPolarHBondContact CB-OE1 3.34Å; C76-E88 WeakPolarHBondContact CB-OE2 3.46Å |
| 77 | G | 86.8 | Confident | 81.3 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | trans | 78.6 | -1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | C73 | C73-G77 WeakPolarHBondContact O-CA 3.33Å; C73-G77 PolarHBondContact O-N 3.16Å | ||
| 78 | K | 88.4 | Confident | 83.8 | Confident | 107 Ų | 107 | 75.8 Ų | 75.8 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | trans | -72.1 | 142.9 | 175.2 | -67.4 | 167.3 | 176.7 | 158.2 | 0 | 110.6 | A72 C73 C76 E88 | A72-K78 CarbonylContact C-O 3.6Å; A72-K78 WeakPolarHBondContact CA-O 3.49Å; C73-K78 PolarHBondContact N-O 2.86Å; C76-K78 VanDerWaalsContact C-N 3.26Å; C76-K78 PolarHBondContact O-N 2.79Å; K78-E88 IonicContact NZ-OE1 2.71Å; K78-E88 PolarHBondContact NZ-OE1 3.33Å | ||
| 79 | P | 86.4 | Confident | 86.1 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 42% | 0.422 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -62.9 | 174.7 | 165 | 29 | -32.2 | 0 | 0 | 0 | 110.4 | M70 H81 | M70-P79 HydrophobicContact CB-CB 4.44Å; P79-H81 PolarHBondContact O-N 3.08Å; P79-H81 PolarHBondContact O-ND1 3.13Å |
| 80 | D | 85.9 | Confident | 88 | Confident | 120 Ų | 120 | 83.2 Ų | 83.2 | 64% | 0.642 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 88.6 | -16.7 | 169.5 | -41.7 | -36.2 | 0 | 0 | 0 | 118.1 | M70 | M70-D80 HydrophobicContact CE-CB 4.43Å; M70-D80 WeakPolarHBondContact CE-OD1 3.42Å |
| 81 | H | 90.4 | Very high | 89.5 | Confident | 37 Ų | 37 | 80.2 Ų | 80.2 | 17% | 0.171 | 42% | 0.418 | C | S | . | . | trans | -146.3 | 161.7 | -179.3 | 65.2 | -81.8 | 0 | 0 | 0 | 115 | C73 C76 P79 D85 C86 P87 | C73-H81 WeakPolarHBondContact CA-O 3.34Å; C73-H81 WeakPolarHBondContact CB-NE2 3.39Å; C73-H81 WeakPolarHBondContact CB-O 3.39Å; C73-H81 PolarHBondContact SG-NE2 2.92Å; C76-H81 PolarHBondContact SG-CE1 3.18Å; C76-H81 PolarHBondContact SG-NE2 3.3Å; P79-H81 PolarHBondContact O-N 3.08Å; P79-H81 PolarHBondContact O-ND1 3.13Å; H81-D85 HydrophobicContact CB-CB 4.43Å; H81-C86 VanDerWaalsContact CD2-CA 3.44Å; H81-C86 WeakPolarHBondContact CD2-CA 3.46Å; H81-C86 PolarHBondContact NE2-SG 2.93Å; H81-C86 VanDerWaalsContact NE2-SG 3.39Å; H81-P87 WeakPolarHBondContact NE2-CD 3.22Å | ||
| 82 | K | 90.7 | Very high | 90.3 | Very high | 152 Ų | 152 | 75.9 Ų | 75.9 | 66% | 0.661 | 40% | 0.404 | S | S | * | . | trans | -90.4 | 166.5 | 174.8 | -64.6 | -179.7 | -176.3 | -176.9 | 0 | 110.3 | S84 D85 C86 | K82-S84 PolarHBondContact O-N 2.89Å; K82-S84 VanDerWaalsContact O-N 3.13Å; K82-D85 PolarHBondContact O-N 2.9Å; K82-C86 PolarHBondContact O-N 3.43Å | ||
| 83 | V | 91 | Very high | 90.5 | Very high | 30 Ų | 30 | 79.1 Ų | 79.1 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -57.8 | -28.6 | 178.5 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | F74 N75 D85 Y90 V95 | F74-V83 HydrophobicContact CB-CG2 3.6Å; F74-V83 HydrophobicContact CD2-CG2 4.01Å; F74-V83 HydrophobicContact CG-CG2 4.3Å; N75-V83 HydrophobicContact CB-CG1 4.39Å; V83-D85 VanDerWaalsContact C-N 3.34Å; V83-Y90 HydrophobicContact CG1-CD2 3.91Å; V83-Y90 HydrophobicContact CG1-CE2 3.7Å; V83-V95 HydrophobicContact CG1-CG2 4.11Å |
| 84 | S | 90.2 | Very high | 90.4 | Very high | 96 Ų | 96 | 80.9 Ų | 80.9 | 67% | 0.671 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -63 | -38.4 | 175.2 | 41.1 | 0 | 0 | 0 | 0 | 113.1 | K82 | K82-S84 PolarHBondContact O-N 2.89Å; K82-S84 VanDerWaalsContact O-N 3.13Å |
| 85 | D | 90.8 | Very high | 90.5 | Very high | 109 Ų | 109 | 78.7 Ų | 78.7 | 58% | 0.583 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -106.6 | 25.6 | -170.3 | -44.2 | -57.8 | 0 | 0 | 0 | 110.3 | H81 K82 V83 | H81-D85 HydrophobicContact CB-CB 4.43Å; K82-D85 PolarHBondContact O-N 2.9Å; V83-D85 VanDerWaalsContact C-N 3.34Å |
| 86 | C | 91.8 | Very high | 90.4 | Very high | 23 Ų | 23 | 86.3 Ų | 86.3 | 16% | 0.155 | 44% | 0.44 | C | S | . | . | trans | -79.2 | 124.7 | -175.3 | -167.4 | 0 | 0 | 0 | 0 | 110.9 | C73 N75 C76 H81 K82 E88 | C73-C86 VanDerWaalsContact SG-SG 3.64Å; N75-C86 HydrophobicContact CB-CB 4.37Å; N75-C86 PolarHBondContact ND2-SG 3.05Å; N75-C86 VanDerWaalsContact ND2-SG 3.42Å; C76-C86 VanDerWaalsContact SG-SG 3.64Å; H81-C86 VanDerWaalsContact CD2-CA 3.44Å; H81-C86 WeakPolarHBondContact CD2-CA 3.46Å; H81-C86 PolarHBondContact NE2-SG 2.93Å; H81-C86 VanDerWaalsContact NE2-SG 3.39Å; K82-C86 PolarHBondContact O-N 3.43Å; C86-E88 PolarHBondContact O-N 3.25Å | ||
| 87 | P | 90.4 | Very high | 90.5 | Very high | 109 Ų | 109 | 91.1 Ų | 91.1 | 71% | 0.708 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -71 | -15.4 | 177.6 | 29.3 | -34.9 | 0 | 0 | 0 | 112.7 | H81 | H81-P87 WeakPolarHBondContact NE2-CD 3.22Š|
| 88 | E | 89.4 | Confident | 90.7 | Very high | 82 Ų | 82 | 91.2 Ų | 91.2 | 38% | 0.383 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -91.4 | 150.1 | 179.3 | -68.9 | 176 | -155.4 | 0 | 0 | 111.9 | N75 C76 K78 C86 Y90 | N75-E88 PolarHBondContact ND2-O 2.78Å; N75-E88 VanDerWaalsContact ND2-O 3.16Å; C76-E88 HydrophobicContact CB-CB 4.3Å; C76-E88 HydrophobicContact CB-CG 4.15Å; C76-E88 WeakPolarHBondContact CB-OE1 3.34Å; C76-E88 WeakPolarHBondContact CB-OE2 3.46Å; K78-E88 IonicContact NZ-OE1 2.71Å; K78-E88 PolarHBondContact NZ-OE1 3.33Å; C86-E88 PolarHBondContact O-N 3.25Å; E88-Y90 PolarHBondContact O-N 3.29Å |
| 89 | R | 90.8 | Very high | 90.9 | Very high | 241 Ų | 241 | 92.8 Ų | 92.8 | 91% | 0.909 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 131.3 | 177.1 | -171.5 | 176.6 | -178.1 | -177.1 | 1.4 | 110.3 | N75 S91 | N75-R89 PolarHBondContact ND2-O 2.93Å; R89-S91 PolarHBondContact O-N 2.74Å |
| 90 | Y | 92.2 | Very high | 91 | Very high | 142 Ų | 142 | 94.8 Ų | 94.8 | 56% | 0.557 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 118.5 | -179.6 | 178.6 | -97.5 | 0 | 0 | 0 | 111.4 | V83 E88 P92 V95 | V83-Y90 HydrophobicContact CG1-CD2 3.91Å; V83-Y90 HydrophobicContact CG1-CE2 3.7Å; E88-Y90 PolarHBondContact O-N 3.29Å; Y90-P92 HydrophobicContact CE1-CB 4.05Å; Y90-V95 HydrophobicContact CD2-CG2 4.46Å; Y90-V95 HydrophobicContact CE2-CG2 3.94Å |
| 91 | S | 91.3 | Very high | 91.1 | Very high | 32 Ų | 32 | 94.7 Ų | 94.7 | 22% | 0.224 | 45% | 0.448 | C | S | . | . | trans | -111 | 118.7 | 168.2 | 164.8 | 0 | 0 | 0 | 0 | 110.2 | N75 R89 E93 T94 V95 | N75-S91 PolarHBondContact OD1-N 3.12Å; R89-S91 PolarHBondContact O-N 2.74Å; S91-E93 VanDerWaalsContact C-N 3.27Å; S91-E93 PolarHBondContact O-N 3.36Å; S91-E93 PolarHBondContact OG-N 3.36Å; S91-E93 PolarHBondContact OG-OE2 2.92Å; S91-T94 WeakPolarHBondContact CB-OG1 3.46Å; S91-T94 PolarHBondContact O-OG1 3.41Å; S91-T94 PolarHBondContact OG-N 3.02Å; S91-V95 WeakPolarHBondContact O-CG2 3.38Å; S91-V95 PolarHBondContact O-N 3.05Å | ||
| 92 | P | 91.8 | Very high | 90.9 | Very high | 66 Ų | 66 | 96.3 Ų | 96.3 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.3 | -29.1 | 177.2 | 26 | -32.1 | 0 | 0 | 0 | 112.4 | Y90 R96 | Y90-P92 HydrophobicContact CE1-CB 4.05Å; P92-R96 VanDerWaalsContact O-CB 3.29Å; P92-R96 WeakPolarHBondContact O-CB 3.37Å; P92-R96 PolarHBondContact O-N 3.04Å |
| 93 | E | 92.7 | Very high | 90.6 | Very high | 117 Ų | 117 | 92.1 Ų | 92.1 | 55% | 0.547 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.6 | -44.2 | 179.9 | -59 | 76.6 | -160.5 | 0 | 0 | 112.1 | S91 R96 R97 | S91-E93 VanDerWaalsContact C-N 3.27Å; S91-E93 PolarHBondContact O-N 3.36Å; S91-E93 PolarHBondContact OG-N 3.36Å; S91-E93 PolarHBondContact OG-OE2 2.92Å; E93-R96 PolarHBondContact O-N 3.24Å; E93-R97 WeakPolarHBondContact O-CB 3.4Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 PolarHBondContact O-NH1 3.41Å |
| 94 | T | 91.4 | Very high | 90.1 | Very high | 41 Ų | 41 | 92.9 Ų | 92.9 | 25% | 0.252 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 177.8 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | N75 S91 R96 R97 N98 | N75-T94 PolarHBondContact O-OG1 3.23Å; N75-T94 PolarHBondContact OD1-OG1 3.25Å; S91-T94 WeakPolarHBondContact CB-OG1 3.46Å; S91-T94 PolarHBondContact O-OG1 3.41Å; S91-T94 PolarHBondContact OG-N 3.02Å; T94-R96 PolarHBondContact O-N 2.97Å; T94-R97 PolarHBondContact O-N 3.18Å; T94-N98 WeakPolarHBondContact O-CB 3.48Å; T94-N98 PolarHBondContact O-N 3.01Å; T94-N98 PolarHBondContact O-ND2 2.94Å |
| 95 | V | 92.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 95.1 Ų | 95.1 | 3% | 0.03 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | F74 N75 V83 Y90 S91 N98 R99 | F74-V95 HydrophobicContact CB-CB 4.49Å; F74-V95 HydrophobicContact CB-CG1 4.12Å; F74-V95 HydrophobicContact CB-CG2 4.4Å; F74-V95 VanDerWaalsContact O-CA 3.3Å; F74-V95 WeakPolarHBondContact O-CA 3.49Å; F74-V95 PolarHBondContact O-N 2.8Å; N75-V95 HydrophobicContact CB-CG2 3.95Å; V83-V95 HydrophobicContact CG1-CG2 4.11Å; Y90-V95 HydrophobicContact CD2-CG2 4.46Å; Y90-V95 HydrophobicContact CE2-CG2 3.94Å; S91-V95 WeakPolarHBondContact O-CG2 3.38Å; S91-V95 PolarHBondContact O-N 3.05Å; V95-N98 PolarHBondContact O-N 2.92Å; V95-R99 HydrophobicContact CG1-CG 4.42Å; V95-R99 WeakPolarHBondContact O-CB 3.41Å; V95-R99 VanDerWaalsContact O-CG 3.24Å; V95-R99 WeakPolarHBondContact O-CG 3.5Å; V95-R99 PolarHBondContact O-N 3.28Å |
| 96 | R | 92.8 | Very high | 88.7 | Confident | 170 Ų | 170 | 93.3 Ų | 93.3 | 64% | 0.642 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.4 | -48.3 | 177.4 | -176.4 | 179.2 | 179.1 | -170.2 | 0.2 | 111.3 | P92 E93 T94 N98 R99 I100 | P92-R96 VanDerWaalsContact O-CB 3.29Å; P92-R96 WeakPolarHBondContact O-CB 3.37Å; P92-R96 PolarHBondContact O-N 3.04Å; E93-R96 PolarHBondContact O-N 3.24Å; T94-R96 PolarHBondContact O-N 2.97Å; R96-N98 PolarHBondContact O-N 3.32Å; R96-R99 PolarHBondContact O-N 3.33Å; R96-I100 HydrophobicContact CG-CD1 4.15Å; R96-I100 WeakPolarHBondContact O-CG1 3.4Å; R96-I100 PolarHBondContact O-N 3.14Å |
| 97 | R | 92.9 | Very high | 87.5 | Confident | 129 Ų | 129 | 101.7 Ų | 101.7 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 179.5 | -173.1 | -175.5 | -66.8 | 100 | -4.1 | 111.6 | E93 T94 I100 K101 | E93-R97 WeakPolarHBondContact O-CB 3.4Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 PolarHBondContact O-NH1 3.41Å; T94-R97 PolarHBondContact O-N 3.18Å; R97-I100 PolarHBondContact O-N 3.27Å; R97-K101 WeakPolarHBondContact O-CG 3.42Å; R97-K101 PolarHBondContact O-N 3.39Å |
| 98 | N | 91.6 | Very high | 86.2 | Confident | 43 Ų | 43 | 101 Ų | 101 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -70.5 | -34 | -179.1 | -70.4 | -19.1 | 0 | 0 | 0 | 112.1 | F74 T94 V95 R96 K101 H102 | F74-N98 HydrophobicContact CB-CB 4.31Å; F74-N98 HydrophobicContact CD1-CB 3.89Å; F74-N98 PolarHBondContact O-ND2 2.92Å; T94-N98 WeakPolarHBondContact O-CB 3.48Å; T94-N98 PolarHBondContact O-N 3.01Å; T94-N98 PolarHBondContact O-ND2 2.94Å; V95-N98 PolarHBondContact O-N 2.92Å; R96-N98 PolarHBondContact O-N 3.32Å; N98-K101 PolarHBondContact O-N 2.72Å; N98-H102 WeakPolarHBondContact O-CB 3.26Å; N98-H102 PolarHBondContact O-N 3.48Å |
| 99 | R | 91.1 | Very high | 84.8 | Confident | 140 Ų | 140 | 101.3 Ų | 101.3 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 171.4 | -76.6 | 176.5 | -174.7 | -92.7 | 2 | 112.3 | F74 V95 R96 H102 S103 | F74-R99 HydrophobicContact CD1-CG 3.79Å; F74-R99 HydrophobicContact CE1-CG 4.06Å; F74-R99 HydrophobicContact CG-CG 4.11Å; V95-R99 HydrophobicContact CG1-CG 4.42Å; V95-R99 WeakPolarHBondContact O-CB 3.41Å; V95-R99 VanDerWaalsContact O-CG 3.24Å; V95-R99 WeakPolarHBondContact O-CG 3.5Å; V95-R99 PolarHBondContact O-N 3.28Å; R96-R99 PolarHBondContact O-N 3.33Å; R99-H102 PolarHBondContact O-N 3.49Å; R99-S103 WeakPolarHBondContact O-CB 3.48Å; R99-S103 PolarHBondContact O-N 2.88Å |
| 100 | I | 88.9 | Confident | 83.3 | Confident | 106 Ų | 106 | 98.4 Ų | 98.4 | 54% | 0.544 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 175.3 | -67 | 165.1 | 0 | 0 | 0 | 110 | R96 R97 H102 S103 A104 | R96-I100 HydrophobicContact CG-CD1 4.15Å; R96-I100 WeakPolarHBondContact O-CG1 3.4Å; R96-I100 PolarHBondContact O-N 3.14Å; R97-I100 PolarHBondContact O-N 3.27Å; I100-H102 PolarHBondContact O-N 3.45Å; I100-S103 PolarHBondContact O-N 2.97Å; I100-A104 WeakPolarHBondContact O-CB 3.36Å; I100-A104 PolarHBondContact O-N 3.4Å |
| 101 | K | 88.3 | Confident | 81.6 | Confident | 118 Ų | 118 | 93.7 Ų | 93.7 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 177.2 | -71.9 | 178.3 | 178.3 | -177.3 | 0 | 112.3 | R97 N98 A104 K105 | R97-K101 WeakPolarHBondContact O-CG 3.42Å; R97-K101 PolarHBondContact O-N 3.39Å; N98-K101 PolarHBondContact O-N 2.72Å; K101-A104 PolarHBondContact O-N 2.76Å; K101-K105 WeakPolarHBondContact O-CG 3.41Å; K101-K105 PolarHBondContact O-N 2.93Å |
| 102 | H | 87 | Confident | 79.9 | Confident | 71 Ų | 71 | 99.4 Ų | 99.4 | 33% | 0.329 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 177.4 | 180 | -93.1 | 0 | 0 | 0 | 111.5 | F74 N98 R99 I100 A104 K105 Q106 | F74-H102 HydrophobicContact CE1-CB 3.62Å; F74-H102 AromaticContact CE1-CG 3.9Å; F74-H102 HydrophobicContact CZ-CB 4.23Å; F74-H102 AromaticContact CZ-CG 4Å; N98-H102 WeakPolarHBondContact O-CB 3.26Å; N98-H102 PolarHBondContact O-N 3.48Å; R99-H102 PolarHBondContact O-N 3.49Å; I100-H102 PolarHBondContact O-N 3.45Å; H102-A104 PolarHBondContact O-N 2.95Å; H102-K105 PolarHBondContact O-N 2.89Å; H102-Q106 VanDerWaalsContact CE1-CG 3.46Å; H102-Q106 WeakPolarHBondContact CE1-CG 3.3Å; H102-Q106 PolarHBondContact NE2-NE2 3.42Å; H102-Q106 WeakPolarHBondContact O-CB 3.46Å; H102-Q106 WeakPolarHBondContact O-CG 3.43Å; H102-Q106 PolarHBondContact O-N 3.07Å |
| 103 | S | 84.2 | Confident | 78 | Confident | 64 Ų | 64 | 101.4 Ų | 101.4 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60 | -44 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | R99 I100 Q106 R107 | R99-S103 WeakPolarHBondContact O-CB 3.48Å; R99-S103 PolarHBondContact O-N 2.88Å; I100-S103 PolarHBondContact O-N 2.97Å; S103-Q106 PolarHBondContact O-N 3.38Å; S103-R107 WeakPolarHBondContact O-CG 3.38Å; S103-R107 PolarHBondContact O-N 2.94Å |
| 104 | A | 80.5 | Confident | 76.2 | Confident | 47 Ų | 47 | 102.7 Ų | 102.7 | 39% | 0.388 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | I100 K101 H102 Q106 R107 I108 | I100-A104 WeakPolarHBondContact O-CB 3.36Å; I100-A104 PolarHBondContact O-N 3.4Å; K101-A104 PolarHBondContact O-N 2.76Å; H102-A104 PolarHBondContact O-N 2.95Å; A104-Q106 PolarHBondContact O-N 2.9Å; A104-R107 PolarHBondContact O-N 3Å; A104-I108 WeakPolarHBondContact O-CG1 3.38Å; A104-I108 PolarHBondContact O-N 2.92Å; A104-I108 VanDerWaalsContact O-N 3.08Å |
| 105 | K | 77.7 | Confident | 74.6 | Confident | 142 Ų | 142 | 106.3 Ų | 106.3 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.5 | -44.2 | 174.8 | -73.7 | -177.2 | 178.9 | -173.1 | 0 | 112 | K101 H102 R107 I108 L109 | K101-K105 WeakPolarHBondContact O-CG 3.41Å; K101-K105 PolarHBondContact O-N 2.93Å; H102-K105 PolarHBondContact O-N 2.89Å; K105-R107 VanDerWaalsContact C-N 3.33Å; K105-R107 PolarHBondContact O-N 2.89Å; K105-I108 PolarHBondContact O-N 3.2Å; K105-L109 WeakPolarHBondContact O-CB 3.43Å; K105-L109 WeakPolarHBondContact O-CD1 3.34Å; K105-L109 WeakPolarHBondContact O-CG 3.31Å; K105-L109 PolarHBondContact O-N 3.37Å |
| 106 | Q | 73.2 | Confident | 73 | Confident | 72 Ų | 72 | 111.8 Ų | 111.8 | 34% | 0.336 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 177.7 | -71.9 | -67.8 | -25.1 | 0 | 0 | 112.3 | H102 S103 A104 L109 R110 | H102-Q106 VanDerWaalsContact CE1-CG 3.46Å; H102-Q106 WeakPolarHBondContact CE1-CG 3.3Å; H102-Q106 PolarHBondContact NE2-NE2 3.42Å; H102-Q106 WeakPolarHBondContact O-CB 3.46Å; H102-Q106 WeakPolarHBondContact O-CG 3.43Å; H102-Q106 PolarHBondContact O-N 3.07Å; S103-Q106 PolarHBondContact O-N 3.38Å; A104-Q106 PolarHBondContact O-N 2.9Å; Q106-L109 PolarHBondContact O-N 3.28Å; Q106-R110 WeakPolarHBondContact O-CB 3.33Å; Q106-R110 WeakPolarHBondContact O-CG 3.23Å; Q106-R110 PolarHBondContact O-N 2.89Å |
| 107 | R | 66.8 | Low | 71.8 | Confident | 198 Ų | 198 | 110.2 Ų | 110.2 | 75% | 0.747 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | 174.3 | -72.1 | 178.5 | 74.4 | 118.2 | 3 | 112 | S103 A104 K105 G111 | S103-R107 WeakPolarHBondContact O-CG 3.38Å; S103-R107 PolarHBondContact O-N 2.94Å; A104-R107 PolarHBondContact O-N 3Å; K105-R107 VanDerWaalsContact C-N 3.33Å; K105-R107 PolarHBondContact O-N 2.89Å; R107-G111 PolarHBondContact O-N 3.4Å; R107-G111 VanDerWaalsContact O-N 3.08Å |
| 108 | I | 63.9 | Low | 71.1 | Confident | 95 Ų | 95 | 107 Ų | 107 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 176.5 | -65.2 | 166.1 | 0 | 0 | 0 | 110.3 | A104 K105 G111 R112 | A104-I108 WeakPolarHBondContact O-CG1 3.38Å; A104-I108 PolarHBondContact O-N 2.92Å; A104-I108 VanDerWaalsContact O-N 3.08Å; K105-I108 PolarHBondContact O-N 3.2Å; I108-G111 PolarHBondContact O-N 3.49Å; I108-R112 HydrophobicContact CG2-CG 4.19Å; I108-R112 WeakPolarHBondContact O-CB 3.44Å; I108-R112 WeakPolarHBondContact O-CG 3.45Å; I108-R112 PolarHBondContact O-N 2.72Å |
| 109 | L | 59.7 | Low | 70.7 | Confident | 89 Ų | 89 | 110.6 Ų | 110.6 | 47% | 0.466 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 178.9 | -77.5 | 158.9 | 0 | 0 | 0 | 111.7 | K105 Q106 G111 R112 Q113 | K105-L109 WeakPolarHBondContact O-CB 3.43Å; K105-L109 WeakPolarHBondContact O-CD1 3.34Å; K105-L109 WeakPolarHBondContact O-CG 3.31Å; K105-L109 PolarHBondContact O-N 3.37Å; Q106-L109 PolarHBondContact O-N 3.28Å; L109-G111 VanDerWaalsContact C-N 3.29Å; L109-G111 PolarHBondContact O-N 3.43Å; L109-R112 PolarHBondContact O-N 3.17Å; L109-Q113 VanDerWaalsContact O-CG 3.28Å; L109-Q113 WeakPolarHBondContact O-CG 3.47Å; L109-Q113 PolarHBondContact O-N 3.38Å |
| 110 | R | 59.3 | Low | 70.6 | Confident | 179 Ų | 179 | 110.7 Ų | 110.7 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.6 | -34.8 | 176.9 | -72.3 | -179.2 | -179.3 | -116.3 | 0.7 | 112.9 | Q106 | Q106-R110 WeakPolarHBondContact O-CB 3.33Å; Q106-R110 WeakPolarHBondContact O-CG 3.23Å; Q106-R110 PolarHBondContact O-N 2.89Å |
| 111 | G | 55.8 | Low | 70.6 | Confident | 43 Ų | 43 | 108.2 Ų | 108.2 | 44% | 0.443 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74 | -31.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R107 I108 L109 | R107-G111 PolarHBondContact O-N 3.4Å; R107-G111 VanDerWaalsContact O-N 3.08Å; I108-G111 PolarHBondContact O-N 3.49Å; L109-G111 VanDerWaalsContact C-N 3.29Å; L109-G111 PolarHBondContact O-N 3.43Å |
| 112 | R | 54.8 | Low | 70.7 | Confident | 152 Ų | 152 | 103.7 Ų | 103.7 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -86.1 | -23.4 | -178.3 | -76.6 | -173.2 | 179.6 | -163.8 | -0.7 | 114.4 | I108 L109 F114 I115 N116 | I108-R112 HydrophobicContact CG2-CG 4.19Å; I108-R112 WeakPolarHBondContact O-CB 3.44Å; I108-R112 WeakPolarHBondContact O-CG 3.45Å; I108-R112 PolarHBondContact O-N 2.72Å; L109-R112 PolarHBondContact O-N 3.17Å; R112-F114 PolarHBondContact O-N 2.95Å; R112-I115 PolarHBondContact O-N 2.91Å; R112-N116 VanDerWaalsContact O-CG 3.31Å; R112-N116 PolarHBondContact O-N 3.24Å |
| 113 | Q | 53.8 | Low | 70.9 | Confident | 108 Ų | 108 | 108.2 Ų | 108.2 | 51% | 0.505 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -51.8 | -43.1 | 179.8 | -83.9 | 168.4 | -2.7 | 0 | 0 | 111.6 | L109 H117 | L109-Q113 VanDerWaalsContact O-CG 3.28Å; L109-Q113 WeakPolarHBondContact O-CG 3.47Å; L109-Q113 PolarHBondContact O-N 3.38Å; Q113-H117 PolarHBondContact O-CD2 2.97Å |
| 114 | F | 53.9 | Low | 71.2 | Confident | 144 Ų | 144 | 107.6 Ų | 107.6 | 63% | 0.632 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.9 | -33.9 | 177.5 | -61.3 | -76.5 | 0 | 0 | 0 | 114.1 | R112 F119 | R112-F114 PolarHBondContact O-N 2.95Å; F114-F119 WeakPolarHBondContact O-CB 3.29Å; F114-F119 WeakPolarHBondContact O-CD2 3.09Å |
| 115 | I | 57.1 | Low | 71.8 | Confident | 117 Ų | 117 | 107.9 Ų | 107.9 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.3 | -34.1 | -175.9 | -57.3 | 173.7 | 0 | 0 | 0 | 110.9 | R112 H117 G118 | R112-I115 PolarHBondContact O-N 2.91Å; I115-H117 VanDerWaalsContact C-N 3.29Å; I115-H117 PolarHBondContact O-N 2.63Å; I115-G118 PolarHBondContact O-N 2.97Å |
| 116 | N | 58.9 | Low | 72.5 | Confident | 120 Ų | 120 | 106.8 Ų | 106.8 | 64% | 0.642 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.5 | -20.3 | -176.7 | -68.4 | -14.7 | 0 | 0 | 0 | 113.6 | R112 G118 | R112-N116 VanDerWaalsContact O-CG 3.31Å; R112-N116 PolarHBondContact O-N 3.24Å; N116-G118 VanDerWaalsContact C-N 3.27Å; N116-G118 PolarHBondContact O-N 3.09Å |
| 117 | H | 67.4 | Low | 73.4 | Confident | 138 Ų | 138 | 111 Ų | 111 | 64% | 0.639 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 13.1 | 176.4 | -62.3 | -59.3 | 0 | 0 | 0 | 113.1 | Q113 I115 F119 | Q113-H117 PolarHBondContact O-CD2 2.97Å; I115-H117 VanDerWaalsContact C-N 3.29Å; I115-H117 PolarHBondContact O-N 2.63Å; H117-F119 HydrophobicContact CB-CD2 3.55Å; H117-F119 HydrophobicContact CB-CE2 3.36Å; H117-F119 HydrophobicContact CB-CZ 4.31Å; H117-F119 PolarHBondContact O-N 2.66Å |
| 118 | G | 78.4 | Confident | 74.7 | Confident | 60 Ų | 60 | 105.3 Ų | 105.3 | 62% | 0.619 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I115 N116 K120 | I115-G118 PolarHBondContact O-N 2.97Å; N116-G118 VanDerWaalsContact C-N 3.27Å; N116-G118 PolarHBondContact O-N 3.09Å; G118-K120 PolarHBondContact O-N 3.46Å |
| 119 | F | 84.7 | Confident | 76.1 | Confident | 119 Ų | 119 | 102.6 Ų | 102.6 | 52% | 0.522 | 52% | 0.515 | S | S | . | . | trans | -70.1 | 127 | 175.9 | -57.7 | -64.3 | 0 | 0 | 0 | 110.7 | F114 H117 | F114-F119 WeakPolarHBondContact O-CB 3.29Å; F114-F119 WeakPolarHBondContact O-CD2 3.09Å; H117-F119 HydrophobicContact CB-CD2 3.55Å; H117-F119 HydrophobicContact CB-CE2 3.36Å; H117-F119 HydrophobicContact CB-CZ 4.31Å; H117-F119 PolarHBondContact O-N 2.66Å | ||
| 120 | K | 87.1 | Confident | 77.8 | Confident | 142 Ų | 142 | 106 Ų | 106 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | trans | -116.8 | 133.8 | 176.3 | -66.4 | -176.8 | -178.4 | -178.9 | 0 | 109.3 | G118 K123 | G118-K120 PolarHBondContact O-N 3.46Å; K120-K123 PolarHBondContact O-N 3.33Å | ||
| 121 | P | 89.7 | Confident | 79.5 | Confident | 54 Ų | 54 | 101.5 Ų | 101.5 | 35% | 0.351 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 146.4 | 173.8 | 30.7 | -37.4 | 0 | 0 | 0 | 109.7 | K123 Y155 V189 | P121-K123 VanDerWaalsContact C-N 3.26Å; P121-K123 PolarHBondContact O-N 2.9Å; P121-Y155 HydrophobicContact CB-CE1 3.87Å; P121-Y155 HydrophobicContact CB-CE2 4.13Å; P121-Y155 HydrophobicContact CG-CD1 4.45Å; P121-Y155 HydrophobicContact CG-CE1 3.85Å; P121-V189 VanDerWaalsContact C-CG1 3.43Å; P121-V189 HydrophobicContact CB-CG1 3.85Å; P121-V189 HydrophobicContact CB-CG2 4.19Å; P121-V189 HydrophobicContact CG-CB 4.34Å; P121-V189 HydrophobicContact CG-CG1 3.82Å; P121-V189 HydrophobicContact CG-CG2 3.55Å; P121-V189 WeakPolarHBondContact O-CG1 3.39Å |
| 122 | G | 90.8 | Very high | 81.3 | Confident | 24 Ų | 24 | 103.4 Ų | 103.4 | 25% | 0.247 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -11.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | E190 | G122-E190 WeakPolarHBondContact CA-O 3.38Š|
| 123 | K | 91.2 | Very high | 83.1 | Confident | 166 Ų | 166 | 98.9 Ų | 98.9 | 72% | 0.722 | 53% | 0.53 | S | S | * | . | trans | -112.4 | 140.8 | 173.1 | -61.5 | -166.1 | 177.3 | -164.6 | 0 | 110.7 | K120 P121 | K120-K123 PolarHBondContact O-N 3.33Å; P121-K123 VanDerWaalsContact C-N 3.26Å; P121-K123 PolarHBondContact O-N 2.9Å | ||
| 124 | I | 91.3 | Very high | 85 | Confident | 50 Ų | 50 | 94.3 Ų | 94.3 | 26% | 0.256 | 51% | 0.509 | S | S | . | . | trans | -129.3 | 127.2 | -179.6 | -54.3 | 172.2 | 0 | 0 | 0 | 106.1 | L128 R129 P140 W142 | I124-L128 HydrophobicContact CG2-CB 4.02Å; I124-L128 HydrophobicContact CG2-CD2 3.91Å; I124-L128 HydrophobicContact CG2-CG 3.93Å; I124-R129 HydrophobicContact CB-CG 4.36Å; I124-R129 HydrophobicContact CG2-CG 3.63Å; I124-P140 HydrophobicContact CD1-CB 4.28Å; I124-P140 HydrophobicContact CD1-CG 3.35Å; I124-W142 HydrophobicContact CD1-CH2 4.37Å; I124-W142 HydrophobicContact CD1-CZ2 3.64Å | ||
| 125 | S | 91.8 | Very high | 86.8 | Confident | 53 Ų | 53 | 89.4 Ų | 89.4 | 37% | 0.371 | 50% | 0.498 | S | S | . | . | trans | -72.9 | 155.2 | 175.8 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | E127 L128 R129 | S125-E127 VanDerWaalsContact C-N 3.3Å; S125-E127 PolarHBondContact O-N 2.99Å; S125-L128 PolarHBondContact O-N 2.92Å; S125-L128 VanDerWaalsContact O-N 3.08Å; S125-L128 VanDerWaalsContact OG-CB 3.3Å; S125-L128 WeakPolarHBondContact OG-CB 3.44Å; S125-L128 PolarHBondContact OG-N 2.91Å; S125-R129 WeakPolarHBondContact O-CG 3.26Å; S125-R129 PolarHBondContact O-N 2.6Å | ||
| 126 | D | 92 | Very high | 88.3 | Confident | 119 Ų | 119 | 92.5 Ų | 92.5 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 178.9 | -66.9 | -38 | 0 | 0 | 0 | 112.3 | L128 R129 E130 | D126-L128 VanDerWaalsContact C-N 3.3Å; D126-L128 PolarHBondContact O-N 2.96Å; D126-R129 WeakPolarHBondContact O-CB 3.43Å; D126-R129 PolarHBondContact O-N 2.93Å; D126-R129 VanDerWaalsContact O-N 3.1Å; D126-E130 PolarHBondContact O-N 2.8Å |
| 127 | E | 93.1 | Very high | 89.8 | Confident | 160 Ų | 160 | 95.8 Ų | 95.8 | 75% | 0.748 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.5 | -43.1 | 172.5 | -175.2 | -175.3 | -173.1 | 0 | 0 | 111.9 | S125 E130 A131 | S125-E127 VanDerWaalsContact C-N 3.3Å; S125-E127 PolarHBondContact O-N 2.99Å; E127-E130 PolarHBondContact O-N 3.35Å; E127-A131 WeakPolarHBondContact O-CB 3.44Å; E127-A131 PolarHBondContact O-N 2.94Å |
| 128 | L | 93.1 | Very high | 91.1 | Very high | 79 Ų | 79 | 92 Ų | 92 | 41% | 0.414 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.4 | -33.1 | 177.8 | -177.9 | 59.2 | 0 | 0 | 0 | 111.8 | I124 S125 D126 I132 | I124-L128 HydrophobicContact CG2-CB 4.02Å; I124-L128 HydrophobicContact CG2-CD2 3.91Å; I124-L128 HydrophobicContact CG2-CG 3.93Å; S125-L128 PolarHBondContact O-N 2.92Å; S125-L128 VanDerWaalsContact O-N 3.08Å; S125-L128 VanDerWaalsContact OG-CB 3.3Å; S125-L128 WeakPolarHBondContact OG-CB 3.44Å; S125-L128 PolarHBondContact OG-N 2.91Å; D126-L128 VanDerWaalsContact C-N 3.3Å; D126-L128 PolarHBondContact O-N 2.96Å; L128-I132 HydrophobicContact CD1-CD1 3.67Å; L128-I132 HydrophobicContact CD1-CG1 4.07Å; L128-I132 HydrophobicContact CG-CD1 3.82Å; L128-I132 VanDerWaalsContact O-CG1 3.29Å; L128-I132 WeakPolarHBondContact O-CG1 3.49Å; L128-I132 PolarHBondContact O-N 3.43Å; L128-I132 VanDerWaalsContact O-N 3.12Å |
| 129 | R | 93.7 | Very high | 91.8 | Very high | 38 Ų | 38 | 89.4 Ų | 89.4 | 14% | 0.143 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 173.8 | -66.8 | -175.2 | 72.1 | 89.7 | 2.7 | 110.6 | I124 S125 D126 I132 G133 L134 G135 Q138 | I124-R129 HydrophobicContact CB-CG 4.36Å; I124-R129 HydrophobicContact CG2-CG 3.63Å; S125-R129 WeakPolarHBondContact O-CG 3.26Å; S125-R129 PolarHBondContact O-N 2.6Å; D126-R129 WeakPolarHBondContact O-CB 3.43Å; D126-R129 PolarHBondContact O-N 2.93Å; D126-R129 VanDerWaalsContact O-N 3.1Å; R129-I132 PolarHBondContact O-N 2.99Å; R129-G133 PolarHBondContact O-N 2.92Å; R129-G133 VanDerWaalsContact O-N 3.09Å; R129-L134 HydrophobicContact CB-CB 4.4Å; R129-L134 VanDerWaalsContact CZ-CD2 3.46Å; R129-L134 PolarHBondContact O-N 2.9Å; R129-G135 PolarHBondContact NH2-O 3.36Å; R129-Q138 PolarHBondContact NH2-O 2.92Å |
| 130 | E | 94.8 | Very high | 92.3 | Very high | 162 Ų | 162 | 84.1 Ų | 84.1 | 76% | 0.757 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62 | -46.7 | 176.4 | -174.3 | 173.7 | -175.9 | 0 | 0 | 111.5 | D126 E127 I132 G133 | D126-E130 PolarHBondContact O-N 2.8Å; E127-E130 PolarHBondContact O-N 3.35Å; E130-I132 PolarHBondContact O-N 3.49Å; E130-G133 PolarHBondContact O-N 3.34Å |
| 131 | A | 95.2 | Very high | 92.6 | Very high | 84 Ų | 84 | 79.8 Ų | 79.8 | 69% | 0.694 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.3 | -30.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E127 | E127-A131 WeakPolarHBondContact O-CB 3.44Å; E127-A131 PolarHBondContact O-N 2.94Å |
| 132 | I | 93.7 | Very high | 92.8 | Very high | 82 Ų | 82 | 81.6 Ų | 81.6 | 42% | 0.421 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -89.6 | -9.1 | 177.3 | -62 | 170.9 | 0 | 0 | 0 | 111.6 | L128 R129 E130 W142 | L128-I132 HydrophobicContact CD1-CD1 3.67Å; L128-I132 HydrophobicContact CD1-CG1 4.07Å; L128-I132 HydrophobicContact CG-CD1 3.82Å; L128-I132 VanDerWaalsContact O-CG1 3.29Å; L128-I132 WeakPolarHBondContact O-CG1 3.49Å; L128-I132 PolarHBondContact O-N 3.43Å; L128-I132 VanDerWaalsContact O-N 3.12Å; R129-I132 PolarHBondContact O-N 2.99Å; E130-I132 PolarHBondContact O-N 3.49Å; I132-W142 HydrophobicContact CD1-CH2 4.08Å |
| 133 | G | 93.6 | Very high | 93 | Very high | 57 Ų | 57 | 80.7 Ų | 80.7 | 59% | 0.588 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 28.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R129 E130 | R129-G133 PolarHBondContact O-N 2.92Å; R129-G133 VanDerWaalsContact O-N 3.09Å; E130-G133 PolarHBondContact O-N 3.34Å |
| 134 | L | 92.9 | Very high | 93.2 | Very high | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | trans | -93.8 | 110.2 | -178.1 | -168.4 | 73.5 | 0 | 0 | 0 | 111.1 | R129 Q138 P140 | R129-L134 HydrophobicContact CB-CB 4.4Å; R129-L134 VanDerWaalsContact CZ-CD2 3.46Å; R129-L134 PolarHBondContact O-N 2.9Å; L134-Q138 HydrophobicContact CD1-CB 4.05Å; L134-Q138 HydrophobicContact CD1-CG 4.06Å; L134-Q138 HydrophobicContact CG-CB 4.45Å; L134-P140 HydrophobicContact CD2-CB 4.08Å; L134-P140 HydrophobicContact CD2-CG 3.7Å | ||
| 135 | G | 91.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 76.4 Ų | 76.4 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | trans | -61.6 | 148 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R129 R137 Q138 | R129-G135 PolarHBondContact NH2-O 3.36Å; G135-R137 PolarHBondContact O-N 3Å; G135-Q138 WeakPolarHBondContact O-CB 3.44Å; G135-Q138 PolarHBondContact O-N 3.23Å | ||
| 136 | K | 89.5 | Confident | 93.5 | Very high | 183 Ų | 183 | 74.8 Ų | 74.8 | 80% | 0.796 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -29.4 | -173.2 | -65.6 | 178.2 | -179.2 | 176.2 | 0 | 114.9 | ||
| 137 | R | 91 | Very high | 93.6 | Very high | 188 Ų | 188 | 69.6 Ų | 69.6 | 71% | 0.709 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 14.2 | -177.9 | -63.3 | -176.2 | -176.3 | -156.4 | 1.7 | 114.4 | G135 G201 V202 V203 | G135-R137 PolarHBondContact O-N 3Å; R137-G201 WeakPolarHBondContact CB-O 3.45Å; R137-G201 WeakPolarHBondContact CD-O 3.4Å; R137-V202 WeakPolarHBondContact O-CA 3.44Å; R137-V202 WeakPolarHBondContact O-CG1 3.43Å; R137-V203 PolarHBondContact O-N 3.08Å |
| 138 | Q | 93.1 | Very high | 93.6 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 27% | 0.271 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -110.5 | 139.4 | -177.2 | -162.2 | 176.6 | 21.7 | 0 | 0 | 111.8 | R129 L134 G135 E205 | R129-Q138 PolarHBondContact NH2-O 2.92Å; L134-Q138 HydrophobicContact CD1-CB 4.05Å; L134-Q138 HydrophobicContact CD1-CG 4.06Å; L134-Q138 HydrophobicContact CG-CB 4.45Å; G135-Q138 WeakPolarHBondContact O-CB 3.44Å; G135-Q138 PolarHBondContact O-N 3.23Å; Q138-E205 PolarHBondContact NE2-OE2 3.22Å |
| 139 | L | 93.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | trans | -76.1 | 141 | 168.7 | -71.9 | 176.6 | 0 | 0 | 0 | 110.6 | I143 Y144 P192 L198 V202 | L139-I143 HydrophobicContact CD1-CG2 4.34Å; L139-Y144 HydrophobicContact CB-CE2 4.08Å; L139-P192 WeakPolarHBondContact CD2-O 2.98Å; L139-L198 HydrophobicContact CD1-CD2 4.15Å; L139-L198 HydrophobicContact CD1-CG 4.25Å; L139-V202 HydrophobicContact CD1-CG1 4.49Å; L139-V202 HydrophobicContact CD2-CG1 3.85Å; L139-V202 HydrophobicContact CG-CG1 3.6Å | ||
| 140 | P | 94.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 71.8 Ų | 71.8 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | trans | -58.3 | 140.8 | 173.3 | -19.5 | 27.2 | 0 | 0 | 0 | 112.8 | I124 L134 W142 I143 | I124-P140 HydrophobicContact CD1-CB 4.28Å; I124-P140 HydrophobicContact CD1-CG 3.35Å; L134-P140 HydrophobicContact CD2-CB 4.08Å; L134-P140 HydrophobicContact CD2-CG 3.7Å; P140-W142 HydrophobicContact CB-CD2 3.57Å; P140-W142 HydrophobicContact CB-CE3 3.89Å; P140-W142 HydrophobicContact CB-CG 4.28Å; P140-W142 HydrophobicContact CB-CH2 3.62Å; P140-W142 HydrophobicContact CB-CZ2 3.28Å; P140-W142 HydrophobicContact CB-CZ3 3.9Å; P140-W142 HydrophobicContact CG-CH2 4.38Å; P140-W142 HydrophobicContact CG-CZ2 3.82Å; P140-W142 PolarHBondContact O-N 3.44Å; P140-I143 HydrophobicContact CB-CG1 4.21Å; P140-I143 HydrophobicContact CG-CG1 4.23Å; P140-I143 WeakPolarHBondContact O-CB 3.38Å; P140-I143 WeakPolarHBondContact O-CG1 3.4Å; P140-I143 PolarHBondContact O-N 2.85Å | ||
| 141 | P | 93.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 65 Ų | 65 | 33% | 0.331 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.5 | -30.7 | -175.5 | -28.9 | 35.2 | 0 | 0 | 0 | 115 | I143 Y144 | P141-I143 VanDerWaalsContact C-N 3.26Å; P141-I143 PolarHBondContact O-N 2.88Å; P141-Y144 PolarHBondContact O-N 3.41Å |
| 142 | W | 94.7 | Very high | 93.4 | Very high | 93 Ų | 93 | 62.5 Ų | 62.5 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.2 | -19 | 179.2 | 54.8 | 85.9 | 0 | 0 | 0 | 113.7 | I124 I132 P140 Y144 Q145 M146 | I124-W142 HydrophobicContact CD1-CH2 4.37Å; I124-W142 HydrophobicContact CD1-CZ2 3.64Å; I132-W142 HydrophobicContact CD1-CH2 4.08Å; P140-W142 HydrophobicContact CB-CD2 3.57Å; P140-W142 HydrophobicContact CB-CE3 3.89Å; P140-W142 HydrophobicContact CB-CG 4.28Å; P140-W142 HydrophobicContact CB-CH2 3.62Å; P140-W142 HydrophobicContact CB-CZ2 3.28Å; P140-W142 HydrophobicContact CB-CZ3 3.9Å; P140-W142 HydrophobicContact CG-CH2 4.38Å; P140-W142 HydrophobicContact CG-CZ2 3.82Å; P140-W142 PolarHBondContact O-N 3.44Å; W142-Y144 VanDerWaalsContact C-N 3.3Å; W142-Y144 PolarHBondContact O-N 2.77Å; W142-Q145 WeakPolarHBondContact O-CB 3.34Å; W142-Q145 PolarHBondContact O-N 3.43Å; W142-M146 WeakPolarHBondContact O-CG 3.19Å; W142-M146 PolarHBondContact O-N 3.35Å |
| 143 | I | 95.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 173.5 | -61.8 | -57.5 | 0 | 0 | 0 | 110.5 | L139 P140 P141 Q145 M146 R147 Y191 G193 F194 | L139-I143 HydrophobicContact CD1-CG2 4.34Å; P140-I143 HydrophobicContact CB-CG1 4.21Å; P140-I143 HydrophobicContact CG-CG1 4.23Å; P140-I143 WeakPolarHBondContact O-CB 3.38Å; P140-I143 WeakPolarHBondContact O-CG1 3.4Å; P140-I143 PolarHBondContact O-N 2.85Å; P141-I143 VanDerWaalsContact C-N 3.26Å; P141-I143 PolarHBondContact O-N 2.88Å; I143-Q145 VanDerWaalsContact C-N 3.33Å; I143-Q145 PolarHBondContact O-N 2.97Å; I143-M146 HydrophobicContact CD1-SD 4.1Å; I143-M146 WeakPolarHBondContact O-CB 3.41Å; I143-M146 PolarHBondContact O-N 3.27Å; I143-R147 PolarHBondContact O-N 3.46Å; I143-R147 VanDerWaalsContact O-N 3.11Å; I143-Y191 HydrophobicContact CD1-CD1 4.17Å; I143-Y191 HydrophobicContact CD1-CG 4.5Å; I143-G193 WeakPolarHBondContact CG2-O 3.36Å; I143-F194 HydrophobicContact CG2-CB 4.17Å |
| 144 | Y | 95.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.8 | -33.6 | 175.3 | -57.5 | -74.3 | 0 | 0 | 0 | 112.3 | L139 P141 W142 R147 R148 D204 E205 H209 A211 | L139-Y144 HydrophobicContact CB-CE2 4.08Å; P141-Y144 PolarHBondContact O-N 3.41Å; W142-Y144 VanDerWaalsContact C-N 3.3Å; W142-Y144 PolarHBondContact O-N 2.77Å; Y144-R147 WeakPolarHBondContact O-CB 3.29Å; Y144-R147 PolarHBondContact O-N 2.92Å; Y144-R148 PolarHBondContact O-N 3.09Å; Y144-D204 WeakPolarHBondContact CE1-OD1 3.42Å; Y144-E205 WeakPolarHBondContact OH-CB 3.2Å; Y144-E205 PolarHBondContact OH-N 3.34Å; Y144-H209 HydrophobicContact CD1-CB 4.09Å; Y144-H209 HydrophobicContact CD2-CB 3.93Å; Y144-H209 AromaticContact CD2-CD2 3.17Å; Y144-H209 WeakPolarHBondContact CD2-CD2 3.23Å; Y144-H209 AromaticContact CD2-CG 3.41Å; Y144-H209 VanDerWaalsContact CD2-CG 3.41Å; Y144-H209 AromaticContact CD2-ND1 3.93Å; Y144-H209 AromaticContact CD2-NE2 3.58Å; Y144-H209 AromaticContact CE2-CD2 3.11Å; Y144-H209 WeakPolarHBondContact CE2-CD2 3.17Å; Y144-H209 AromaticContact CE2-CG 3.87Å; Y144-H209 AromaticContact CE2-NE2 3.32Å; Y144-H209 VanDerWaalsContact CE2-NE2 3.32Å; Y144-H209 WeakPolarHBondContact CE2-NE2 3.12Å; Y144-H209 HydrophobicContact CG-CB 3.61Å; Y144-H209 AromaticContact CG-CD2 3.67Å; Y144-H209 AromaticContact CG-CG 3.64Å; Y144-H209 AromaticContact CZ-CD2 3.56Å; Y144-A211 HydrophobicContact CD1-CB 4.14Å; Y144-A211 HydrophobicContact CG-CB 4.39Å; Y144-A211 WeakPolarHBondContact O-CB 3.47Å |
| 145 | Q | 94.8 | Very high | 92.7 | Very high | 123 Ų | 123 | 65.7 Ų | 65.7 | 58% | 0.575 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.8 | -39.3 | 171.6 | -61 | -178.8 | 19.5 | 0 | 0 | 111.4 | W142 I143 R147 R148 C149 | W142-Q145 WeakPolarHBondContact O-CB 3.34Å; W142-Q145 PolarHBondContact O-N 3.43Å; I143-Q145 VanDerWaalsContact C-N 3.33Å; I143-Q145 PolarHBondContact O-N 2.97Å; Q145-R147 VanDerWaalsContact C-N 3.27Å; Q145-R147 PolarHBondContact O-N 3.02Å; Q145-R148 PolarHBondContact O-N 3.16Å; Q145-C149 WeakPolarHBondContact O-CB 3.35Å; Q145-C149 PolarHBondContact O-N 2.72Å |
| 146 | M | 94.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 66.6 Ų | 66.6 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -34.3 | 174.6 | -71.1 | 170.5 | 59.5 | 0 | 0 | 112.2 | W142 I143 R148 G150 P152 Y191 F194 | W142-M146 WeakPolarHBondContact O-CG 3.19Å; W142-M146 PolarHBondContact O-N 3.35Å; I143-M146 HydrophobicContact CD1-SD 4.1Å; I143-M146 WeakPolarHBondContact O-CB 3.41Å; I143-M146 PolarHBondContact O-N 3.27Å; M146-R148 PolarHBondContact O-N 2.82Å; M146-G150 CarbonylContact O-C 3.51Å; M146-G150 WeakPolarHBondContact O-CA 3.33Å; M146-G150 PolarHBondContact O-N 3.09Å; M146-P152 HydrophobicContact CE-CG 3.98Å; M146-P152 HydrophobicContact SD-CG 4.33Å; M146-Y191 HydrophobicContact CE-CD1 4.01Å; M146-Y191 HydrophobicContact CE-CD2 3.45Å; M146-Y191 VanDerWaalsContact CE-CD2 3.45Å; M146-Y191 HydrophobicContact CE-CE1 4.4Å; M146-Y191 HydrophobicContact CE-CE2 3.89Å; M146-Y191 HydrophobicContact CE-CG 3.52Å; M146-Y191 HydrophobicContact SD-CD1 4.28Å; M146-Y191 HydrophobicContact SD-CG 4.34Å; M146-F194 VanDerWaalsContact C-CE2 3.46Å; M146-F194 HydrophobicContact CB-CD1 4.15Å; M146-F194 HydrophobicContact CB-CD2 4.04Å; M146-F194 HydrophobicContact CB-CE1 4.24Å; M146-F194 HydrophobicContact CB-CE2 4.2Å; M146-F194 HydrophobicContact CB-CG 4.02Å; M146-F194 HydrophobicContact CB-CZ 4.29Å; M146-F194 HydrophobicContact CE-CB 4.38Å; M146-F194 HydrophobicContact CE-CD1 3.32Å; M146-F194 HydrophobicContact CE-CE1 3.78Å; M146-F194 HydrophobicContact CE-CG 4.01Å; M146-F194 WeakPolarHBondContact O-CE2 3.42Å; M146-F194 WeakPolarHBondContact O-CZ 3.44Å |
| 147 | R | 93.6 | Very high | 92 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 3% | 0.034 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.3 | -31.1 | 172.1 | -65.6 | -176.9 | -168.4 | 171 | 10.4 | 113.2 | I143 Y144 Q145 G193 F194 D204 P212 F214 | I143-R147 PolarHBondContact O-N 3.46Å; I143-R147 VanDerWaalsContact O-N 3.11Å; Y144-R147 WeakPolarHBondContact O-CB 3.29Å; Y144-R147 PolarHBondContact O-N 2.92Å; Q145-R147 VanDerWaalsContact C-N 3.27Å; Q145-R147 PolarHBondContact O-N 3.02Å; R147-G193 VanDerWaalsContact CZ-O 3.24Å; R147-G193 PolarHBondContact NE-O 3.48Å; R147-G193 PolarHBondContact NH2-O 2.71Å; R147-F194 HydrophobicContact CG-CD2 3.89Å; R147-F194 HydrophobicContact CG-CE2 4.49Å; R147-D204 IonicContact CZ-OD1 3.68Å; R147-D204 IonicContact CZ-OD2 2.6Å; R147-D204 VanDerWaalsContact NH1-CG 3.29Å; R147-D204 IonicContact NH1-OD1 2.93Å; R147-D204 PolarHBondContact NH1-OD1 2.91Å; R147-D204 IonicContact NH1-OD2 2.8Å; R147-D204 PolarHBondContact NH1-OD2 3.14Å; R147-D204 IonicContact NH2-OD1 3.36Å; R147-D204 PolarHBondContact NH2-OD1 3.45Å; R147-D204 IonicContact NH2-OD2 3.86Å; R147-P212 VanDerWaalsContact CD-O 3.25Å; R147-P212 WeakPolarHBondContact CD-O 3.41Å; R147-P212 PolarHBondContact NH1-O 3.43Å; R147-F214 VanDerWaalsContact NH1-N 3.19Å |
| 148 | R | 92.4 | Very high | 91.4 | Very high | 175 Ų | 175 | 61.9 Ų | 61.9 | 66% | 0.66 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -87.1 | -44.1 | 178.3 | -65.3 | 177.8 | 62.4 | -159.4 | -3 | 113 | Y144 Q145 M146 A211 | Y144-R148 PolarHBondContact O-N 3.09Å; Q145-R148 PolarHBondContact O-N 3.16Å; M146-R148 PolarHBondContact O-N 2.82Å; R148-A211 HydrophobicContact CG-CB 4.43Å |
| 149 | C | 92.4 | Very high | 90.6 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 78% | 0.784 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -95.1 | -14.9 | -171 | -59.9 | 0 | 0 | 0 | 0 | 113.5 | Q145 | Q145-C149 WeakPolarHBondContact O-CB 3.35Å; Q145-C149 PolarHBondContact O-N 2.72Å |
| 150 | G | 93.3 | Very high | 89.6 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | trans | 89.7 | -171.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M146 | M146-G150 CarbonylContact O-C 3.51Å; M146-G150 WeakPolarHBondContact O-CA 3.33Å; M146-G150 PolarHBondContact O-N 3.09Å | ||
| 151 | Y | 93.6 | Very high | 88.1 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -70.8 | 142.3 | -176.7 | -169.4 | -97.3 | 0 | 0 | 0 | 111.9 | K156 V188 V189 Y191 F194 L224 | Y151-K156 HydrophobicContact CD1-CB 4.08Å; Y151-V188 HydrophobicContact CE2-CG1 4.43Å; Y151-V189 VanDerWaalsContact CE2-O 3.27Å; Y151-V189 WeakPolarHBondContact CE2-O 3.29Å; Y151-V189 VanDerWaalsContact OH-CA 3.31Å; Y151-V189 WeakPolarHBondContact OH-CA 3.49Å; Y151-V189 VanDerWaalsContact OH-CB 3.23Å; Y151-V189 WeakPolarHBondContact OH-CB 3.37Å; Y151-V189 PolarHBondContact OH-N 3.11Å; Y151-V189 PolarHBondContact OH-O 3.26Å; Y151-Y191 AromaticContact CE2-CD2 3.88Å; Y151-Y191 HydrophobicContact CE2-CD2 3.88Å; Y151-Y191 AromaticContact CE2-CE2 3.78Å; Y151-Y191 HydrophobicContact CE2-CE2 3.78Å; Y151-F194 HydrophobicContact CD2-CD1 4.34Å; Y151-F194 AromaticContact CD2-CE1 3.82Å; Y151-F194 HydrophobicContact CD2-CE1 3.82Å; Y151-F194 HydrophobicContact CG-CE1 4.41Å; Y151-L224 HydrophobicContact CD1-CD2 4.17Å; Y151-L224 HydrophobicContact CD2-CD2 3.28Å; Y151-L224 HydrophobicContact CE1-CD2 4.47Å; Y151-L224 HydrophobicContact CE2-CD2 3.68Å; Y151-L224 HydrophobicContact CG-CD1 4.13Å; Y151-L224 HydrophobicContact CG-CD2 3.57Å; Y151-L224 HydrophobicContact CG-CG 4.49Å |
| 152 | P | 93.4 | Very high | 86.4 | Confident | 32 Ų | 32 | 65.7 Ų | 65.7 | 21% | 0.208 | 33% | 0.334 | C | S | . | . | trans | -58.9 | 127.3 | -175.2 | -23.1 | 31.4 | 0 | 0 | 0 | 112.4 | M146 G154 Y155 K156 Y191 | M146-P152 HydrophobicContact CE-CG 3.98Å; M146-P152 HydrophobicContact SD-CG 4.33Å; P152-G154 VanDerWaalsContact C-N 3.28Å; P152-G154 PolarHBondContact O-N 2.94Å; P152-Y155 HydrophobicContact CB-CD2 3.81Å; P152-Y155 HydrophobicContact CB-CE2 4.46Å; P152-Y155 HydrophobicContact CG-CD2 4.17Å; P152-Y155 PolarHBondContact O-N 3.27Å; P152-K156 PolarHBondContact O-N 3.31Å; P152-Y191 HydrophobicContact CG-CE2 4.41Å | ||
| 153 | P | 90.2 | Very high | 84.3 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.8 | -28.3 | -170.9 | 24.2 | -33.9 | 0 | 0 | 0 | 113.1 | K156 R157 | P153-K156 WeakPolarHBondContact O-CB 3.49Å; P153-K156 PolarHBondContact O-N 2.95Å; P153-R157 WeakPolarHBondContact O-CB 3.37Å; P153-R157 VanDerWaalsContact O-CG 3.29Å; P153-R157 WeakPolarHBondContact O-CG 3.22Å; P153-R157 PolarHBondContact O-N 3.3Å |
| 154 | G | 87.3 | Confident | 81.9 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 43% | 0.433 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P152 R157 I158 | P152-G154 VanDerWaalsContact C-N 3.28Å; P152-G154 PolarHBondContact O-N 2.94Å; G154-R157 PolarHBondContact O-N 3.27Å; G154-I158 WeakPolarHBondContact O-CG1 3.36Å; G154-I158 PolarHBondContact O-N 3.45Å |
| 155 | Y | 88.1 | Confident | 79.4 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 34% | 0.341 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.6 | -33.9 | 176.5 | -60.7 | -61 | 0 | 0 | 0 | 111.9 | P121 P152 R157 I158 A159 V189 Y191 | P121-Y155 HydrophobicContact CB-CE1 3.87Å; P121-Y155 HydrophobicContact CB-CE2 4.13Å; P121-Y155 HydrophobicContact CG-CD1 4.45Å; P121-Y155 HydrophobicContact CG-CE1 3.85Å; P152-Y155 HydrophobicContact CB-CD2 3.81Å; P152-Y155 HydrophobicContact CB-CE2 4.46Å; P152-Y155 HydrophobicContact CG-CD2 4.17Å; P152-Y155 PolarHBondContact O-N 3.27Å; Y155-R157 VanDerWaalsContact C-N 3.32Å; Y155-R157 PolarHBondContact O-N 3.26Å; Y155-I158 HydrophobicContact CD1-CD1 4.06Å; Y155-I158 PolarHBondContact O-N 2.91Å; Y155-A159 PolarHBondContact O-N 3.02Å; Y155-A159 VanDerWaalsContact O-N 3.11Å; Y155-V189 HydrophobicContact CD1-CG2 4.02Å; Y155-V189 HydrophobicContact CG-CG2 4.15Å; Y155-Y191 VanDerWaalsContact CD2-OH 3.27Å; Y155-Y191 WeakPolarHBondContact CD2-OH 3.44Å; Y155-Y191 WeakPolarHBondContact CE2-OH 2.93Å |
| 156 | K | 86.3 | Confident | 77.3 | Confident | 59 Ų | 59 | 80.2 Ų | 80.2 | 26% | 0.257 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.3 | -48.5 | 170.9 | -162.9 | -176.9 | -175.5 | -172.5 | 0 | 110.6 | Y151 P152 P153 I158 A159 L160 I228 | Y151-K156 HydrophobicContact CD1-CB 4.08Å; P152-K156 PolarHBondContact O-N 3.31Å; P153-K156 WeakPolarHBondContact O-CB 3.49Å; P153-K156 PolarHBondContact O-N 2.95Å; K156-I158 PolarHBondContact O-N 2.94Å; K156-A159 PolarHBondContact O-N 3.42Å; K156-L160 WeakPolarHBondContact O-CG 3.46Å; K156-L160 PolarHBondContact O-N 2.72Å; K156-I228 HydrophobicContact CG-CD1 4.12Å; K156-I228 HydrophobicContact CG-CG1 4.24Å |
| 157 | R | 80.7 | Confident | 75.2 | Confident | 177 Ų | 177 | 83.2 Ų | 83.2 | 67% | 0.668 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 177 | -74.2 | 174.4 | -172.4 | -178.1 | 3.1 | 112 | P153 G154 Y155 A159 L160 A161 | P153-R157 WeakPolarHBondContact O-CB 3.37Å; P153-R157 VanDerWaalsContact O-CG 3.29Å; P153-R157 WeakPolarHBondContact O-CG 3.22Å; P153-R157 PolarHBondContact O-N 3.3Å; G154-R157 PolarHBondContact O-N 3.27Å; Y155-R157 VanDerWaalsContact C-N 3.32Å; Y155-R157 PolarHBondContact O-N 3.26Å; R157-A159 VanDerWaalsContact C-N 3.27Å; R157-A159 PolarHBondContact O-N 2.91Å; R157-L160 CarbonylContact O-C 3.49Å; R157-L160 WeakPolarHBondContact O-CA 3.5Å; R157-L160 WeakPolarHBondContact O-CB 3.5Å; R157-L160 PolarHBondContact O-N 3.46Å; R157-A161 WeakPolarHBondContact O-CA 3.49Å; R157-A161 WeakPolarHBondContact O-CB 3.49Å; R157-A161 PolarHBondContact O-N 2.98Å |
| 158 | I | 77.6 | Confident | 73.3 | Confident | 95 Ų | 95 | 90.9 Ų | 90.9 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 178.6 | -67.2 | 163.9 | 0 | 0 | 0 | 111.3 | G154 Y155 K156 L160 A161 C187 | G154-I158 WeakPolarHBondContact O-CG1 3.36Å; G154-I158 PolarHBondContact O-N 3.45Å; Y155-I158 HydrophobicContact CD1-CD1 4.06Å; Y155-I158 PolarHBondContact O-N 2.91Å; K156-I158 PolarHBondContact O-N 2.94Å; I158-L160 VanDerWaalsContact C-N 3.3Å; I158-L160 PolarHBondContact O-N 3.27Å; I158-A161 PolarHBondContact O-N 3.25Å; I158-C187 HydrophobicContact CG2-CB 4.48Å |
| 159 | A | 76.1 | Confident | 71.5 | Confident | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.2 | -29.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y155 K156 R157 F183 D184 C187 V188 | Y155-A159 PolarHBondContact O-N 3.02Å; Y155-A159 VanDerWaalsContact O-N 3.11Å; K156-A159 PolarHBondContact O-N 3.42Å; R157-A159 VanDerWaalsContact C-N 3.27Å; R157-A159 PolarHBondContact O-N 2.91Å; A159-F183 HydrophobicContact CB-CD2 4.11Å; A159-F183 HydrophobicContact CB-CE2 3.54Å; A159-F183 HydrophobicContact CB-CZ 4.3Å; A159-F183 WeakPolarHBondContact O-CA 3.36Å; A159-F183 WeakPolarHBondContact O-CD2 3.49Å; A159-D184 PolarHBondContact O-N 3.33Å; A159-C187 HydrophobicContact CB-CB 3.93Å; A159-V188 HydrophobicContact CB-CG2 4.15Å |
| 160 | L | 74.2 | Confident | 69.8 | Low | 43 Ų | 43 | 91.4 Ų | 91.4 | 23% | 0.225 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -79.1 | -34.2 | 172 | -63.3 | 178.8 | 0 | 0 | 0 | 112.8 | K156 R157 I158 K162 F183 I228 L232 | K156-L160 WeakPolarHBondContact O-CG 3.46Å; K156-L160 PolarHBondContact O-N 2.72Å; R157-L160 CarbonylContact O-C 3.49Å; R157-L160 WeakPolarHBondContact O-CA 3.5Å; R157-L160 WeakPolarHBondContact O-CB 3.5Å; R157-L160 PolarHBondContact O-N 3.46Å; I158-L160 VanDerWaalsContact C-N 3.3Å; I158-L160 PolarHBondContact O-N 3.27Å; L160-K162 PolarHBondContact O-N 3.49Å; L160-F183 HydrophobicContact CD2-CD2 3.98Å; L160-I228 HydrophobicContact CD2-CG2 3.41Å; L160-I228 VanDerWaalsContact CD2-CG2 3.41Å; L160-I228 HydrophobicContact CG-CG2 4.32Å; L160-L232 HydrophobicContact CD1-CD2 4.46Å; L160-L232 HydrophobicContact CD2-CD1 3.48Å; L160-L232 VanDerWaalsContact CD2-CD1 3.48Å; L160-L232 HydrophobicContact CD2-CD2 3.55Å; L160-L232 HydrophobicContact CD2-CG 3.72Å |
| 161 | A | 61.8 | Low | 67.9 | Low | 46 Ų | 46 | 96 Ų | 96 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | trans | -94.5 | 21.3 | -158.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R157 I158 I163 | R157-A161 WeakPolarHBondContact O-CA 3.49Å; R157-A161 WeakPolarHBondContact O-CB 3.49Å; R157-A161 PolarHBondContact O-N 2.98Å; I158-A161 PolarHBondContact O-N 3.25Å; A161-I163 HydrophobicContact CB-CD1 3.67Å; A161-I163 HydrophobicContact CB-CG1 4.16Å; A161-I163 PolarHBondContact O-N 2.99Å | ||
| 162 | K | 57 | Low | 66 | Low | 114 Ų | 114 | 100.5 Ų | 100.5 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | trans | -71.8 | 62.8 | 156.1 | -73.7 | -170.9 | 178.8 | -178.8 | 0 | 108.4 | L160 D184 | L160-K162 PolarHBondContact O-N 3.49Å; K162-D184 HydrophobicContact CD-CB 3.94Å; K162-D184 WeakPolarHBondContact CE-OD2 3.48Å; K162-D184 IonicContact NZ-OD2 2.96Å; K162-D184 PolarHBondContact NZ-OD2 3.28Å | ||
| 163 | I | 51.6 | Low | 63.7 | Low | 116 Ų | 116 | 103.8 Ų | 103.8 | 60% | 0.595 | 55% | 0.546 | S | S | * | . | trans | -63.4 | 136.8 | 176.6 | -70.3 | 155.8 | 0 | 0 | 0 | 106.8 | A161 | A161-I163 HydrophobicContact CB-CD1 3.67Å; A161-I163 HydrophobicContact CB-CG1 4.16Å; A161-I163 PolarHBondContact O-N 2.99Å | ||
| 164 | P | 44.3 | Very low | 61.5 | Low | 75 Ų | 75 | 103.8 Ų | 103.8 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | trans | -51.4 | 143.7 | -164.9 | 19.2 | -34.4 | 0 | 0 | 0 | 112.6 | L166 | P164-L166 PolarHBondContact O-N 3.39Å; P164-L166 VanDerWaalsContact O-N 3.1Å | ||
| 165 | K | 44.5 | Very low | 59.4 | Low | 198 Ų | 198 | 109.2 Ų | 109.2 | 86% | 0.861 | 57% | 0.573 | S | S | * | * | trans | -45.6 | 123.7 | 159.9 | -73.6 | 177 | 179.1 | 175.1 | 0 | 106.2 | S167 | K165-S167 PolarHBondContact O-N 3.18Š| ||
| 166 | L | 50.6 | Low | 57.1 | Low | 139 Ų | 139 | 109.2 Ų | 109.2 | 73% | 0.728 | 59% | 0.586 | S | S | * | * | trans | -58.2 | 91.6 | 171.3 | -175.1 | 73.8 | 0 | 0 | 0 | 107.1 | P164 F168 | P164-L166 PolarHBondContact O-N 3.39Å; P164-L166 VanDerWaalsContact O-N 3.1Å; L166-F168 HydrophobicContact CD2-CE1 4.04Å; L166-F168 HydrophobicContact CD2-CE2 3.78Å; L166-F168 HydrophobicContact CD2-CZ 3.45Å; L166-F168 VanDerWaalsContact CD2-CZ 3.45Å; L166-F168 HydrophobicContact CG-CE2 4.23Å; L166-F168 HydrophobicContact CG-CZ 4.22Å; L166-F168 PolarHBondContact O-N 3.45Å | ||
| 167 | S | 49.5 | Very low | 54.8 | Low | 82 Ų | 82 | 111.6 Ų | 111.6 | 57% | 0.573 | 61% | 0.61 | S | S | * | * | trans | -76.1 | 108 | 170.3 | 54.2 | 0 | 0 | 0 | 0 | 105.8 | K165 Y169 | K165-S167 PolarHBondContact O-N 3.18Å; S167-Y169 PolarHBondContact O-N 2.95Å | ||
| 168 | F | 54.8 | Low | 53 | Low | 171 Ų | 171 | 107.1 Ų | 107.1 | 75% | 0.75 | 60% | 0.602 | S | S | * | * | trans | -63.4 | 117.9 | 161.4 | -65 | -85.6 | 0 | 0 | 0 | 106 | L166 D170 | L166-F168 HydrophobicContact CD2-CE1 4.04Å; L166-F168 HydrophobicContact CD2-CE2 3.78Å; L166-F168 HydrophobicContact CD2-CZ 3.45Å; L166-F168 VanDerWaalsContact CD2-CZ 3.45Å; L166-F168 HydrophobicContact CG-CE2 4.23Å; L166-F168 HydrophobicContact CG-CZ 4.22Å; L166-F168 PolarHBondContact O-N 3.45Å; F168-D170 PolarHBondContact O-N 3.32Å; F168-D170 VanDerWaalsContact O-N 3.08Å | ||
| 169 | Y | 53.9 | Low | 51.4 | Low | 161 Ų | 161 | 109.5 Ų | 109.5 | 63% | 0.631 | 61% | 0.611 | S | S | * | * | trans | -67.6 | 103 | 167.8 | -86.7 | -88.9 | 0 | 0 | 0 | 106.7 | S167 | S167-Y169 PolarHBondContact O-N 2.95Š| ||
| 170 | D | 57.9 | Low | 50.1 | Low | 140 Ų | 140 | 117.5 Ų | 117.5 | 75% | 0.749 | 64% | 0.642 | S | S | * | * | trans | -70.6 | 134.2 | 154.7 | -96.1 | -27.3 | 0 | 0 | 0 | 107.3 | F168 V172 | F168-D170 PolarHBondContact O-N 3.32Å; F168-D170 VanDerWaalsContact O-N 3.08Å; D170-V172 HydrophobicContact CB-CG2 4.49Å; D170-V172 PolarHBondContact O-N 2.96Å | ||
| 171 | D | 53.1 | Low | 49.3 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 68% | 0.684 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -70.7 | 40.7 | -172 | -86.7 | -38.1 | 0 | 0 | 0 | 113.9 | K315 | D171-K315 IonicContact OD1-NZ 2.78Å; D171-K315 PolarHBondContact OD1-NZ 2.85Å; D171-K315 IonicContact OD2-NZ 3.5Å |
| 172 | V | 52.6 | Low | 49.3 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -135.3 | 97.4 | 176 | -70.2 | 0 | 0 | 0 | 0 | 110.8 | D170 S174 | D170-V172 HydrophobicContact CB-CG2 4.49Å; D170-V172 PolarHBondContact O-N 2.96Å; V172-S174 PolarHBondContact O-N 3.37Å |
| 173 | A | 46.1 | Very low | 50 | Low | 101 Ų | 101 | 121.2 Ų | 121.2 | 84% | 0.835 | 65% | 0.65 | S | S | * | * | trans | 39.9 | 78.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 174 | S | 44.5 | Very low | 51.3 | Low | 90 Ų | 90 | 117.5 Ų | 117.5 | 63% | 0.629 | 63% | 0.631 | S | S | * | * | trans | -157.1 | 97.3 | 154.3 | -78.5 | 0 | 0 | 0 | 0 | 110.2 | V172 S176 | V172-S174 PolarHBondContact O-N 3.37Å; S174-S176 PolarHBondContact O-N 3.23Å | ||
| 175 | T | 41.9 | Very low | 53.1 | Low | 156 Ų | 156 | 118.2 Ų | 118.2 | 96% | 0.957 | 63% | 0.628 | S | S | * | * | trans | -70.6 | 61.9 | 168.7 | -40.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 176 | S | 39.4 | Very low | 55.1 | Low | 88 Ų | 88 | 113.1 Ų | 113.1 | 62% | 0.615 | 62% | 0.618 | S | S | * | * | trans | -98.6 | 94.8 | 171.4 | 49.4 | 0 | 0 | 0 | 0 | 108.8 | S174 V178 | S174-S176 PolarHBondContact O-N 3.23Å; S176-V178 PolarHBondContact O-N 3.23Å | ||
| 177 | S | 39.3 | Very low | 56.7 | Low | 108 Ų | 108 | 107.8 Ų | 107.8 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | trans | 11.6 | 106.4 | 153.2 | -45.2 | 0 | 0 | 0 | 0 | 115.4 | E179 | S177-E179 PolarHBondContact O-N 2.98Š| ||
| 178 | V | 42.8 | Very low | 58.6 | Low | 84 Ų | 84 | 104.1 Ų | 104.1 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | trans | -49.8 | 104.4 | 164.6 | -125.6 | 0 | 0 | 0 | 0 | 107.8 | S176 Y180 | S176-V178 PolarHBondContact O-N 3.23Å; V178-Y180 VanDerWaalsContact C-N 3.35Å; V178-Y180 WeakPolarHBondContact O-CD2 3.45Å; V178-Y180 VanDerWaalsContact O-CE2 3.29Å; V178-Y180 WeakPolarHBondContact O-CE2 3.46Å; V178-Y180 PolarHBondContact O-N 2.97Å | ||
| 179 | E | 43.2 | Very low | 60.4 | Low | 145 Ų | 145 | 97 Ų | 97 | 68% | 0.678 | 54% | 0.536 | S | S | * | . | trans | -70.2 | 95.2 | 179.6 | -126.7 | -173 | 167.7 | 0 | 0 | 107.1 | S177 E181 | S177-E179 PolarHBondContact O-N 2.98Å; E179-E181 PolarHBondContact O-N 3.04Å | ||
| 180 | Y | 48.9 | Very low | 62.3 | Low | 167 Ų | 167 | 94.1 Ų | 94.1 | 66% | 0.655 | 53% | 0.529 | S | S | * | . | trans | -59 | 130.9 | 177.8 | -61.2 | -87 | 0 | 0 | 0 | 109.9 | V178 K182 | V178-Y180 VanDerWaalsContact C-N 3.35Å; V178-Y180 WeakPolarHBondContact O-CD2 3.45Å; V178-Y180 VanDerWaalsContact O-CE2 3.29Å; V178-Y180 WeakPolarHBondContact O-CE2 3.46Å; V178-Y180 PolarHBondContact O-N 2.97Å; Y180-K182 PolarHBondContact O-N 3.46Å | ||
| 181 | E | 56.7 | Low | 64.1 | Low | 114 Ų | 114 | 88.4 Ų | 88.4 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | trans | 16.5 | 75.3 | 158.2 | -63.3 | 177.9 | 167.6 | 0 | 0 | 115.2 | E179 F183 | E179-E181 PolarHBondContact O-N 3.04Å; E181-F183 PolarHBondContact O-N 3.33Å | ||
| 182 | K | 62.1 | Low | 66 | Low | 142 Ų | 142 | 84.4 Ų | 84.4 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | trans | -69.1 | 102.6 | 177.8 | -167.6 | 168.3 | -171.6 | 165.5 | 0 | 109 | Y180 D184 | Y180-K182 PolarHBondContact O-N 3.46Å; K182-D184 PolarHBondContact O-N 3.42Å; K182-D184 VanDerWaalsContact O-N 3.17Å | ||
| 183 | F | 71.8 | Confident | 67.9 | Low | 25 Ų | 25 | 78.9 Ų | 78.9 | 11% | 0.11 | 44% | 0.444 | C | S | . | . | trans | -61.1 | 116.2 | 169.2 | 177.2 | -103.5 | 0 | 0 | 0 | 109.2 | A159 L160 E181 E185 V188 I225 I228 K229 L232 | A159-F183 HydrophobicContact CB-CD2 4.11Å; A159-F183 HydrophobicContact CB-CE2 3.54Å; A159-F183 HydrophobicContact CB-CZ 4.3Å; A159-F183 WeakPolarHBondContact O-CA 3.36Å; A159-F183 WeakPolarHBondContact O-CD2 3.49Å; L160-F183 HydrophobicContact CD2-CD2 3.98Å; E181-F183 PolarHBondContact O-N 3.33Å; F183-E185 HydrophobicContact CD1-CG 3.92Å; F183-E185 HydrophobicContact CE1-CB 4.27Å; F183-E185 HydrophobicContact CE1-CG 3.81Å; F183-V188 HydrophobicContact CE1-CG2 4.3Å; F183-V188 HydrophobicContact CE2-CG2 4.2Å; F183-V188 HydrophobicContact CZ-CG2 3.5Å; F183-I225 HydrophobicContact CD1-CG2 4.45Å; F183-I225 HydrophobicContact CE1-CB 4.23Å; F183-I225 HydrophobicContact CE1-CG1 3.96Å; F183-I225 HydrophobicContact CE1-CG2 3.66Å; F183-I225 HydrophobicContact CZ-CG1 4.06Å; F183-I225 HydrophobicContact CZ-CG2 4.37Å; F183-I228 HydrophobicContact CD2-CG2 3.83Å; F183-I228 HydrophobicContact CE2-CB 4.18Å; F183-I228 HydrophobicContact CE2-CD1 3.97Å; F183-I228 HydrophobicContact CE2-CG2 3.53Å; F183-I228 HydrophobicContact CZ-CB 4.41Å; F183-I228 HydrophobicContact CZ-CD1 4.05Å; F183-I228 HydrophobicContact CZ-CG2 4.21Å; F183-K229 HydrophobicContact CD1-CG 4.4Å; F183-L232 HydrophobicContact CB-CD1 4.3Å | ||
| 184 | D | 79 | Confident | 70.3 | Confident | 38 Ų | 38 | 74.5 Ų | 74.5 | 20% | 0.203 | 41% | 0.406 | C | S | . | . | trans | -95.4 | 107.1 | 176.6 | -173.5 | -2.5 | 0 | 0 | 0 | 110.1 | A159 K162 K182 S186 C187 | A159-D184 PolarHBondContact O-N 3.33Å; K162-D184 HydrophobicContact CD-CB 3.94Å; K162-D184 WeakPolarHBondContact CE-OD2 3.48Å; K162-D184 IonicContact NZ-OD2 2.96Å; K162-D184 PolarHBondContact NZ-OD2 3.28Å; K182-D184 PolarHBondContact O-N 3.42Å; K182-D184 VanDerWaalsContact O-N 3.17Å; D184-S186 PolarHBondContact O-N 3.46Å; D184-S186 VanDerWaalsContact OD1-CB 3.32Å; D184-S186 WeakPolarHBondContact OD1-CB 3.35Å; D184-S186 PolarHBondContact OD1-N 3.46Å; D184-S186 PolarHBondContact OD1-OG 3.49Å; D184-S186 PolarHBondContact OD2-OG 2.9Å; D184-C187 HydrophobicContact CB-CB 4.42Å; D184-C187 WeakPolarHBondContact O-CB 3.38Å; D184-C187 PolarHBondContact O-N 3.5Å; D184-C187 PolarHBondContact OD2-SG 3.3Å | ||
| 185 | E | 83.6 | Confident | 72.6 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 43% | 0.425 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -60.4 | -27.8 | 179.9 | -48.5 | -164.5 | 170 | 0 | 0 | 112.3 | F183 C187 V188 I225 K229 | F183-E185 HydrophobicContact CD1-CG 3.92Å; F183-E185 HydrophobicContact CE1-CB 4.27Å; F183-E185 HydrophobicContact CE1-CG 3.81Å; E185-C187 PolarHBondContact O-N 3.45Å; E185-V188 WeakPolarHBondContact O-CB 3.24Å; E185-V188 PolarHBondContact O-N 3.5Å; E185-I225 HydrophobicContact CB-CD1 4.21Å; E185-K229 WeakPolarHBondContact OE1-CE 3.21Å; E185-K229 IonicContact OE1-NZ 3.91Å; E185-K229 PolarHBondContact OE1-NZ 3.47Å |
| 186 | S | 84.5 | Confident | 75.1 | Confident | 91 Ų | 91 | 63.3 Ų | 63.3 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -69.3 | -21.4 | 178.6 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | D184 V188 | D184-S186 PolarHBondContact O-N 3.46Å; D184-S186 VanDerWaalsContact OD1-CB 3.32Å; D184-S186 WeakPolarHBondContact OD1-CB 3.35Å; D184-S186 PolarHBondContact OD1-N 3.46Å; D184-S186 PolarHBondContact OD1-OG 3.49Å; D184-S186 PolarHBondContact OD2-OG 2.9Å; S186-V188 VanDerWaalsContact C-N 3.27Å; S186-V188 PolarHBondContact O-N 3.18Å |
| 187 | C | 84.5 | Confident | 77.7 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -79.8 | -9.1 | 177.3 | -67.1 | 0 | 0 | 0 | 0 | 112.9 | I158 A159 D184 E185 V189 | I158-C187 HydrophobicContact CG2-CB 4.48Å; A159-C187 HydrophobicContact CB-CB 3.93Å; D184-C187 HydrophobicContact CB-CB 4.42Å; D184-C187 WeakPolarHBondContact O-CB 3.38Å; D184-C187 PolarHBondContact O-N 3.5Å; D184-C187 PolarHBondContact OD2-SG 3.3Å; E185-C187 PolarHBondContact O-N 3.45Å; C187-V189 PolarHBondContact O-N 2.7Å; C187-V189 VanDerWaalsContact O-N 3.16Å |
| 188 | V | 90 | Very high | 80.2 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | trans | -76.3 | 102.9 | 174.7 | -176 | 0 | 0 | 0 | 0 | 109.5 | Y151 A159 F183 E185 S186 K221 L224 I225 | Y151-V188 HydrophobicContact CE2-CG1 4.43Å; A159-V188 HydrophobicContact CB-CG2 4.15Å; F183-V188 HydrophobicContact CE1-CG2 4.3Å; F183-V188 HydrophobicContact CE2-CG2 4.2Å; F183-V188 HydrophobicContact CZ-CG2 3.5Å; E185-V188 WeakPolarHBondContact O-CB 3.24Å; E185-V188 PolarHBondContact O-N 3.5Å; S186-V188 VanDerWaalsContact C-N 3.27Å; S186-V188 PolarHBondContact O-N 3.18Å; V188-K221 HydrophobicContact CG1-CG 4.1Å; V188-L224 HydrophobicContact CG1-CD2 3.8Å; V188-I225 HydrophobicContact CG2-CG1 4.09Å | ||
| 189 | V | 92.3 | Very high | 82.5 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | trans | -63.2 | 135.2 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | P121 Y151 Y155 C187 Y191 N195 | P121-V189 VanDerWaalsContact C-CG1 3.43Å; P121-V189 HydrophobicContact CB-CG1 3.85Å; P121-V189 HydrophobicContact CB-CG2 4.19Å; P121-V189 HydrophobicContact CG-CB 4.34Å; P121-V189 HydrophobicContact CG-CG1 3.82Å; P121-V189 HydrophobicContact CG-CG2 3.55Å; P121-V189 WeakPolarHBondContact O-CG1 3.39Å; Y151-V189 VanDerWaalsContact CE2-O 3.27Å; Y151-V189 WeakPolarHBondContact CE2-O 3.29Å; Y151-V189 VanDerWaalsContact OH-CA 3.31Å; Y151-V189 WeakPolarHBondContact OH-CA 3.49Å; Y151-V189 VanDerWaalsContact OH-CB 3.23Å; Y151-V189 WeakPolarHBondContact OH-CB 3.37Å; Y151-V189 PolarHBondContact OH-N 3.11Å; Y151-V189 PolarHBondContact OH-O 3.26Å; Y155-V189 HydrophobicContact CD1-CG2 4.02Å; Y155-V189 HydrophobicContact CG-CG2 4.15Å; C187-V189 PolarHBondContact O-N 2.7Å; C187-V189 VanDerWaalsContact O-N 3.16Å; V189-Y191 HydrophobicContact CB-CE2 3.83Å; V189-Y191 HydrophobicContact CG1-CD2 4.29Å; V189-Y191 HydrophobicContact CG1-CE1 4.44Å; V189-Y191 HydrophobicContact CG1-CE2 3.68Å; V189-N195 PolarHBondContact O-ND2 2.74Å | ||
| 190 | E | 93.9 | Very high | 84.8 | Confident | 101 Ų | 101 | 61.7 Ų | 61.7 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | trans | -91.4 | 136.6 | 174.5 | -74.4 | 170.6 | -161 | 0 | 0 | 111.5 | G122 A196 K221 | G122-E190 WeakPolarHBondContact CA-O 3.38Å; E190-A196 HydrophobicContact CB-CB 4.05Å; E190-A196 HydrophobicContact CG-CB 4.41Å; E190-K221 HydrophobicContact CG-CD 3.92Å; E190-K221 VanDerWaalsContact OE1-CD 3.3Å; E190-K221 WeakPolarHBondContact OE1-CD 3.44Å; E190-K221 WeakPolarHBondContact OE1-CE 3.34Å; E190-K221 IonicContact OE1-NZ 2.94Å; E190-K221 PolarHBondContact OE1-NZ 3.16Å | ||
| 191 | Y | 95 | Very high | 86.7 | Confident | 19 Ų | 19 | 56 Ų | 56 | 8% | 0.075 | 31% | 0.306 | C | S | . | . | trans | -128.3 | 108.3 | 178.6 | -67.4 | -84.4 | 0 | 0 | 0 | 107.9 | I143 M146 Y151 P152 Y155 V189 G193 F194 N195 A196 | I143-Y191 HydrophobicContact CD1-CD1 4.17Å; I143-Y191 HydrophobicContact CD1-CG 4.5Å; M146-Y191 HydrophobicContact CE-CD1 4.01Å; M146-Y191 HydrophobicContact CE-CD2 3.45Å; M146-Y191 VanDerWaalsContact CE-CD2 3.45Å; M146-Y191 HydrophobicContact CE-CE1 4.4Å; M146-Y191 HydrophobicContact CE-CE2 3.89Å; M146-Y191 HydrophobicContact CE-CG 3.52Å; M146-Y191 HydrophobicContact SD-CD1 4.28Å; M146-Y191 HydrophobicContact SD-CG 4.34Å; Y151-Y191 AromaticContact CE2-CD2 3.88Å; Y151-Y191 HydrophobicContact CE2-CD2 3.88Å; Y151-Y191 AromaticContact CE2-CE2 3.78Å; Y151-Y191 HydrophobicContact CE2-CE2 3.78Å; P152-Y191 HydrophobicContact CG-CE2 4.41Å; Y155-Y191 VanDerWaalsContact CD2-OH 3.27Å; Y155-Y191 WeakPolarHBondContact CD2-OH 3.44Å; Y155-Y191 WeakPolarHBondContact CE2-OH 2.93Å; V189-Y191 HydrophobicContact CB-CE2 3.83Å; V189-Y191 HydrophobicContact CG1-CD2 4.29Å; V189-Y191 HydrophobicContact CG1-CE1 4.44Å; V189-Y191 HydrophobicContact CG1-CE2 3.68Å; Y191-G193 PolarHBondContact O-N 3.29Å; Y191-F194 PolarHBondContact O-N 3.35Å; Y191-N195 WeakPolarHBondContact CA-OD1 3.35Å; Y191-N195 WeakPolarHBondContact CB-OD1 3.3Å; Y191-N195 PolarHBondContact N-OD1 3.1Å; Y191-N195 PolarHBondContact O-N 3.07Å; Y191-N195 PolarHBondContact O-OD1 3.05Å; Y191-A196 PolarHBondContact O-N 3.5Å | ||
| 192 | P | 93.8 | Very high | 88.4 | Confident | 44 Ų | 44 | 51.8 Ų | 51.8 | 29% | 0.286 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -57 | 132.1 | 178.9 | -23.9 | 33.1 | 0 | 0 | 0 | 111.5 | L139 F194 P199 | L139-P192 WeakPolarHBondContact CD2-O 2.98Å; P192-F194 VanDerWaalsContact C-N 3.31Å; P192-P199 HydrophobicContact CB-CG 3.67Å; P192-P199 HydrophobicContact CG-CG 4.35Å |
| 193 | G | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I143 R147 Y191 A196 F214 | I143-G193 WeakPolarHBondContact CG2-O 3.36Å; R147-G193 VanDerWaalsContact CZ-O 3.24Å; R147-G193 PolarHBondContact NE-O 3.48Å; R147-G193 PolarHBondContact NH2-O 2.71Å; Y191-G193 PolarHBondContact O-N 3.29Å; G193-A196 PolarHBondContact N-O 3.34Å; G193-F214 WeakPolarHBondContact O-CD2 3.5Å |
| 194 | F | 95.2 | Very high | 90.8 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -76.2 | 167.5 | 179.2 | -121.1 | 0 | 0 | 0 | 111.6 | I143 M146 R147 Y151 Y191 P192 H219 | I143-F194 HydrophobicContact CG2-CB 4.17Å; M146-F194 VanDerWaalsContact C-CE2 3.46Å; M146-F194 HydrophobicContact CB-CD1 4.15Å; M146-F194 HydrophobicContact CB-CD2 4.04Å; M146-F194 HydrophobicContact CB-CE1 4.24Å; M146-F194 HydrophobicContact CB-CE2 4.2Å; M146-F194 HydrophobicContact CB-CG 4.02Å; M146-F194 HydrophobicContact CB-CZ 4.29Å; M146-F194 HydrophobicContact CE-CB 4.38Å; M146-F194 HydrophobicContact CE-CD1 3.32Å; M146-F194 HydrophobicContact CE-CE1 3.78Å; M146-F194 HydrophobicContact CE-CG 4.01Å; M146-F194 WeakPolarHBondContact O-CE2 3.42Å; M146-F194 WeakPolarHBondContact O-CZ 3.44Å; R147-F194 HydrophobicContact CG-CD2 3.89Å; R147-F194 HydrophobicContact CG-CE2 4.49Å; Y151-F194 HydrophobicContact CD2-CD1 4.34Å; Y151-F194 AromaticContact CD2-CE1 3.82Å; Y151-F194 HydrophobicContact CD2-CE1 3.82Å; Y151-F194 HydrophobicContact CG-CE1 4.41Å; Y191-F194 PolarHBondContact O-N 3.35Å; P192-F194 VanDerWaalsContact C-N 3.31Å; F194-H219 HydrophobicContact CD2-CB 4.34Å; F194-H219 HydrophobicContact CE2-CB 4.32Å; F194-H219 CarbonylContact O-C 3.56Å; F194-H219 WeakPolarHBondContact O-CB 3.32Å |
| 195 | N | 94.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -3.5 | 178.7 | 67.1 | -25.8 | 0 | 0 | 0 | 113.9 | V189 Y191 H219 K221 | V189-N195 PolarHBondContact O-ND2 2.74Å; Y191-N195 WeakPolarHBondContact CA-OD1 3.35Å; Y191-N195 WeakPolarHBondContact CB-OD1 3.3Å; Y191-N195 PolarHBondContact N-OD1 3.1Å; Y191-N195 PolarHBondContact O-N 3.07Å; Y191-N195 PolarHBondContact O-OD1 3.05Å; N195-H219 WeakPolarHBondContact CA-O 3.47Å; N195-H219 VanDerWaalsContact CB-O 3.23Å; N195-H219 WeakPolarHBondContact CB-O 3.45Å; N195-K221 PolarHBondContact O-N 3.32Å |
| 196 | A | 94.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 50 Ų | 50 | 7% | 0.066 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -120 | 155.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | E190 Y191 G193 F214 | E190-A196 HydrophobicContact CB-CB 4.05Å; E190-A196 HydrophobicContact CG-CB 4.41Å; Y191-A196 PolarHBondContact O-N 3.5Å; G193-A196 PolarHBondContact N-O 3.34Å; A196-F214 WeakPolarHBondContact O-CE2 3.15Å; A196-F214 WeakPolarHBondContact O-CZ 3.44Å |
| 197 | P | 93.5 | Very high | 92.4 | Very high | 87 Ų | 87 | 55.1 Ų | 55.1 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 156.5 | 176.6 | 24.9 | -34.9 | 0 | 0 | 0 | 111.8 | ||
| 198 | L | 92.6 | Very high | 92.8 | Very high | 46 Ų | 46 | 60.1 Ų | 60.1 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 139.3 | 172.7 | -85.8 | 78.5 | 0 | 0 | 0 | 109.4 | L139 D204 F214 | L139-L198 HydrophobicContact CD1-CD2 4.15Å; L139-L198 HydrophobicContact CD1-CG 4.25Å; L198-D204 HydrophobicContact CD2-CB 3.75Å; L198-F214 HydrophobicContact CD1-CB 3.87Å; L198-F214 HydrophobicContact CD1-CD1 3.17Å; L198-F214 HydrophobicContact CD1-CD2 3.79Å; L198-F214 HydrophobicContact CD1-CE1 3.52Å; L198-F214 HydrophobicContact CD1-CE2 4.1Å; L198-F214 HydrophobicContact CD1-CG 3.31Å; L198-F214 HydrophobicContact CD1-CZ 3.97Å |
| 199 | P | 91 | Very high | 93 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 153.2 | 171.5 | -16.2 | 31.1 | 0 | 0 | 0 | 110.8 | P192 G201 V202 | P192-P199 HydrophobicContact CB-CG 3.67Å; P192-P199 HydrophobicContact CG-CG 4.35Å; P199-G201 PolarHBondContact O-N 3.2Å; P199-V202 HydrophobicContact CB-CG2 3.83Å; P199-V202 HydrophobicContact CG-CG2 4.07Å; P199-V202 WeakPolarHBondContact O-CB 3.39Å; P199-V202 PolarHBondContact O-N 3.17Å |
| 200 | E | 90.2 | Very high | 93 | Very high | 199 Ų | 199 | 72 Ų | 72 | 93% | 0.93 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 133.7 | 179.3 | -66.2 | 177.5 | -171 | 0 | 0 | 111.5 | V202 | E200-V202 VanDerWaalsContact C-N 3.27Å; E200-V202 PolarHBondContact O-N 2.98Å |
| 201 | G | 89.4 | Confident | 93 | Very high | 48 Ų | 48 | 67.7 Ų | 67.7 | 50% | 0.495 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 1.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R137 P199 | R137-G201 WeakPolarHBondContact CB-O 3.45Å; R137-G201 WeakPolarHBondContact CD-O 3.4Å; P199-G201 PolarHBondContact O-N 3.2Å |
| 202 | V | 92.8 | Very high | 92.9 | Very high | 24 Ų | 24 | 69.3 Ų | 69.3 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | trans | -87.5 | 129.5 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | R137 L139 P199 E200 | R137-V202 WeakPolarHBondContact O-CA 3.44Å; R137-V202 WeakPolarHBondContact O-CG1 3.43Å; L139-V202 HydrophobicContact CD1-CG1 4.49Å; L139-V202 HydrophobicContact CD2-CG1 3.85Å; L139-V202 HydrophobicContact CG-CG1 3.6Å; P199-V202 HydrophobicContact CB-CG2 3.83Å; P199-V202 HydrophobicContact CG-CG2 4.07Å; P199-V202 WeakPolarHBondContact O-CB 3.39Å; P199-V202 PolarHBondContact O-N 3.17Å; E200-V202 VanDerWaalsContact C-N 3.27Å; E200-V202 PolarHBondContact O-N 2.98Å | ||
| 203 | V | 90.1 | Very high | 92.8 | Very high | 95 Ų | 95 | 70.7 Ų | 70.7 | 58% | 0.576 | 36% | 0.364 | S | S | * | . | B | Isolated β-bridge | trans | -90.3 | 135.2 | 179.3 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | R137 E205 | R137-V203 PolarHBondContact O-N 3.08Å; V203-E205 PolarHBondContact O-N 3.44Å |
| 204 | D | 93 | Very high | 92.8 | Very high | 38 Ų | 38 | 73.3 Ų | 73.3 | 20% | 0.203 | 38% | 0.375 | C | S | . | . | trans | -83.9 | 99.3 | 175.8 | -166.8 | 24 | 0 | 0 | 0 | 111.3 | Y144 R147 L198 Y206 F214 | Y144-D204 WeakPolarHBondContact CE1-OD1 3.42Å; R147-D204 IonicContact CZ-OD1 3.68Å; R147-D204 IonicContact CZ-OD2 2.6Å; R147-D204 VanDerWaalsContact NH1-CG 3.29Å; R147-D204 IonicContact NH1-OD1 2.93Å; R147-D204 PolarHBondContact NH1-OD1 2.91Å; R147-D204 IonicContact NH1-OD2 2.8Å; R147-D204 PolarHBondContact NH1-OD2 3.14Å; R147-D204 IonicContact NH2-OD1 3.36Å; R147-D204 PolarHBondContact NH2-OD1 3.45Å; R147-D204 IonicContact NH2-OD2 3.86Å; L198-D204 HydrophobicContact CD2-CB 3.75Å; D204-Y206 HydrophobicContact CB-CD1 4.43Å; D204-Y206 PolarHBondContact O-N 3.43Å; D204-Y206 VanDerWaalsContact O-N 3.15Å; D204-Y206 WeakPolarHBondContact OD2-CD1 3.27Å; D204-F214 WeakPolarHBondContact OD2-CB 3.11Å; D204-F214 PolarHBondContact OD2-N 3.34Å | ||
| 205 | E | 93.3 | Very high | 92.7 | Very high | 63 Ų | 63 | 74.5 Ų | 74.5 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | trans | -87 | 33.8 | -177.9 | -59.2 | 175.6 | 162.7 | 0 | 0 | 112.3 | Q138 Y144 V203 R207 L208 H209 | Q138-E205 PolarHBondContact NE2-OE2 3.22Å; Y144-E205 WeakPolarHBondContact OH-CB 3.2Å; Y144-E205 PolarHBondContact OH-N 3.34Å; V203-E205 PolarHBondContact O-N 3.44Å; E205-R207 PolarHBondContact O-N 3.35Å; E205-R207 VanDerWaalsContact O-N 3.08Å; E205-L208 HydrophobicContact CB-CB 4.38Å; E205-L208 WeakPolarHBondContact O-CB 3.43Å; E205-L208 PolarHBondContact O-N 3.08Å; E205-H209 PolarHBondContact O-CD2 2.98Å; E205-H209 PolarHBondContact O-N 2.68Å | ||
| 206 | Y | 94.1 | Very high | 92.5 | Very high | 63 Ų | 63 | 78.6 Ų | 78.6 | 25% | 0.247 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32.8 | -172.4 | 72.1 | -90.5 | 0 | 0 | 0 | 113.7 | D204 H209 R210 A211 P213 | D204-Y206 HydrophobicContact CB-CD1 4.43Å; D204-Y206 PolarHBondContact O-N 3.43Å; D204-Y206 VanDerWaalsContact O-N 3.15Å; D204-Y206 WeakPolarHBondContact OD2-CD1 3.27Å; Y206-H209 PolarHBondContact O-N 2.94Å; Y206-R210 PolarHBondContact O-N 3.38Å; Y206-R210 VanDerWaalsContact O-N 3.11Å; Y206-A211 WeakPolarHBondContact CD2-O 3.37Å; Y206-A211 PolarHBondContact O-N 2.91Å; Y206-P213 HydrophobicContact CD1-CB 4.33Å; Y206-P213 HydrophobicContact CD2-CB 4.15Å; Y206-P213 HydrophobicContact CE1-CB 4.21Å; Y206-P213 HydrophobicContact CE2-CB 4.04Å; Y206-P213 HydrophobicContact CG-CB 4.31Å |
| 207 | R | 94.4 | Very high | 92.3 | Very high | 198 Ų | 198 | 82.7 Ų | 82.7 | 75% | 0.747 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -42.8 | 177.8 | -64.6 | -174.4 | 179.8 | 179.5 | -1.6 | 111.9 | E205 H209 R210 | E205-R207 PolarHBondContact O-N 3.35Å; E205-R207 VanDerWaalsContact O-N 3.08Å; R207-H209 VanDerWaalsContact C-N 3.29Å; R207-H209 PolarHBondContact O-N 3.49Å; R207-R210 PolarHBondContact O-N 2.95Å |
| 208 | L | 93.7 | Very high | 91.9 | Very high | 133 Ų | 133 | 84.4 Ų | 84.4 | 70% | 0.696 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -39.5 | 178.6 | -178.6 | 62.1 | 0 | 0 | 0 | 110.8 | E205 R210 | E205-L208 HydrophobicContact CB-CB 4.38Å; E205-L208 WeakPolarHBondContact O-CB 3.43Å; E205-L208 PolarHBondContact O-N 3.08Å; L208-R210 VanDerWaalsContact C-N 3.35Å; L208-R210 PolarHBondContact O-N 2.9Å |
| 209 | H | 92.7 | Very high | 91.6 | Very high | 54 Ų | 54 | 84.5 Ų | 84.5 | 25% | 0.25 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 2.8 | -178.8 | -66.1 | -75.3 | 0 | 0 | 0 | 114.8 | Y144 E205 Y206 R207 A211 | Y144-H209 HydrophobicContact CD1-CB 4.09Å; Y144-H209 HydrophobicContact CD2-CB 3.93Å; Y144-H209 AromaticContact CD2-CD2 3.17Å; Y144-H209 WeakPolarHBondContact CD2-CD2 3.23Å; Y144-H209 AromaticContact CD2-CG 3.41Å; Y144-H209 VanDerWaalsContact CD2-CG 3.41Å; Y144-H209 AromaticContact CD2-ND1 3.93Å; Y144-H209 AromaticContact CD2-NE2 3.58Å; Y144-H209 AromaticContact CE2-CD2 3.11Å; Y144-H209 WeakPolarHBondContact CE2-CD2 3.17Å; Y144-H209 AromaticContact CE2-CG 3.87Å; Y144-H209 AromaticContact CE2-NE2 3.32Å; Y144-H209 VanDerWaalsContact CE2-NE2 3.32Å; Y144-H209 WeakPolarHBondContact CE2-NE2 3.12Å; Y144-H209 HydrophobicContact CG-CB 3.61Å; Y144-H209 AromaticContact CG-CD2 3.67Å; Y144-H209 AromaticContact CG-CG 3.64Å; Y144-H209 AromaticContact CZ-CD2 3.56Å; E205-H209 PolarHBondContact O-CD2 2.98Å; E205-H209 PolarHBondContact O-N 2.68Å; Y206-H209 PolarHBondContact O-N 2.94Å; R207-H209 VanDerWaalsContact C-N 3.29Å; R207-H209 PolarHBondContact O-N 3.49Å; H209-A211 HydrophobicContact CB-CB 4.48Å; H209-A211 PolarHBondContact O-N 3.26Å |
| 210 | R | 93.8 | Very high | 91.6 | Very high | 221 Ų | 221 | 81.9 Ų | 81.9 | 83% | 0.834 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 40.6 | -174.7 | -54.9 | -178.3 | -178 | -173.2 | -0.4 | 112.3 | Y206 R207 L208 | Y206-R210 PolarHBondContact O-N 3.38Å; Y206-R210 VanDerWaalsContact O-N 3.11Å; R207-R210 PolarHBondContact O-N 2.95Å; L208-R210 VanDerWaalsContact C-N 3.35Å; L208-R210 PolarHBondContact O-N 2.9Å |
| 211 | A | 92.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 75.1 Ų | 75.1 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | trans | -109.3 | 156.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y144 R148 Y206 H209 | Y144-A211 HydrophobicContact CD1-CB 4.14Å; Y144-A211 HydrophobicContact CG-CB 4.39Å; Y144-A211 WeakPolarHBondContact O-CB 3.47Å; R148-A211 HydrophobicContact CG-CB 4.43Å; Y206-A211 WeakPolarHBondContact CD2-O 3.37Å; Y206-A211 PolarHBondContact O-N 2.91Å; H209-A211 HydrophobicContact CB-CB 4.48Å; H209-A211 PolarHBondContact O-N 3.26Å | ||
| 212 | P | 92.7 | Very high | 91.9 | Very high | 53 Ų | 53 | 82.7 Ų | 82.7 | 34% | 0.344 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 146.9 | 171.7 | -25 | 34.5 | 0 | 0 | 0 | 112.1 | R147 | R147-P212 VanDerWaalsContact CD-O 3.25Å; R147-P212 WeakPolarHBondContact CD-O 3.41Å; R147-P212 PolarHBondContact NH1-O 3.43Å |
| 213 | P | 93 | Very high | 91.8 | Very high | 74 Ų | 74 | 84.7 Ų | 84.7 | 48% | 0.481 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 148.2 | 173.9 | 27 | -34.4 | 0 | 0 | 0 | 110.3 | Y206 S215 | Y206-P213 HydrophobicContact CD1-CB 4.33Å; Y206-P213 HydrophobicContact CD2-CB 4.15Å; Y206-P213 HydrophobicContact CE1-CB 4.21Å; Y206-P213 HydrophobicContact CE2-CB 4.04Å; Y206-P213 HydrophobicContact CG-CB 4.31Å; P213-S215 PolarHBondContact O-N 3.25Å |
| 214 | F | 92.7 | Very high | 91.9 | Very high | 54 Ų | 54 | 81.2 Ų | 81.2 | 24% | 0.237 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 129.3 | 175.7 | 176.1 | -111.7 | 0 | 0 | 0 | 110.8 | R147 G193 A196 L198 D204 L216 | R147-F214 VanDerWaalsContact NH1-N 3.19Å; G193-F214 WeakPolarHBondContact O-CD2 3.5Å; A196-F214 WeakPolarHBondContact O-CE2 3.15Å; A196-F214 WeakPolarHBondContact O-CZ 3.44Å; L198-F214 HydrophobicContact CD1-CB 3.87Å; L198-F214 HydrophobicContact CD1-CD1 3.17Å; L198-F214 HydrophobicContact CD1-CD2 3.79Å; L198-F214 HydrophobicContact CD1-CE1 3.52Å; L198-F214 HydrophobicContact CD1-CE2 4.1Å; L198-F214 HydrophobicContact CD1-CG 3.31Å; L198-F214 HydrophobicContact CD1-CZ 3.97Å; D204-F214 WeakPolarHBondContact OD2-CB 3.11Å; D204-F214 PolarHBondContact OD2-N 3.34Å; F214-L216 HydrophobicContact CE1-CB 4.36Å; F214-L216 HydrophobicContact CZ-CB 4.11Å; F214-L216 HydrophobicContact CZ-CD1 4.1Å |
| 215 | S | 91.7 | Very high | 91.8 | Very high | 34 Ų | 34 | 80.2 Ų | 80.2 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | trans | -140.9 | 115.1 | 171.6 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | P213 S217 H218 H219 | P213-S215 PolarHBondContact O-N 3.25Å; S215-S217 PolarHBondContact O-N 2.99Å; S215-S217 PolarHBondContact OG-N 3.08Å; S215-H218 PolarHBondContact O-N 3.31Å; S215-H218 PolarHBondContact OG-CD2 3.06Å; S215-H219 WeakPolarHBondContact O-CB 3.26Å; S215-H219 PolarHBondContact O-N 3.22Å | ||
| 216 | L | 90.8 | Very high | 91.7 | Very high | 89 Ų | 89 | 84.4 Ų | 84.4 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67 | -27.3 | 176.1 | -167.3 | 68 | 0 | 0 | 0 | 111.7 | F214 G220 | F214-L216 HydrophobicContact CE1-CB 4.36Å; F214-L216 HydrophobicContact CZ-CB 4.11Å; F214-L216 HydrophobicContact CZ-CD1 4.1Å; L216-G220 WeakPolarHBondContact O-CA 3.4Å; L216-G220 PolarHBondContact O-N 3.25Å |
| 217 | S | 89.6 | Confident | 91.4 | Very high | 95 Ų | 95 | 83.8 Ų | 83.8 | 66% | 0.664 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | S215 H223 | S215-S217 PolarHBondContact O-N 2.99Å; S215-S217 PolarHBondContact OG-N 3.08Å; S217-H223 PolarHBondContact O-ND1 3.34Å |
| 218 | H | 85.6 | Confident | 91.1 | Very high | 123 Ų | 123 | 74.4 Ų | 74.4 | 57% | 0.569 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -92.4 | -36.4 | -179.3 | -67.4 | -71.9 | 0 | 0 | 0 | 113.2 | S215 H223 | S215-H218 PolarHBondContact O-N 3.31Å; S215-H218 PolarHBondContact OG-CD2 3.06Å; H218-H223 PolarHBondContact O-CD2 3.43Å |
| 219 | H | 86.8 | Confident | 90.8 | Very high | 48 Ų | 48 | 71.8 Ų | 71.8 | 22% | 0.222 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -111 | -8.3 | -171.6 | -59.1 | -61.8 | 0 | 0 | 0 | 114.1 | F194 N195 S215 | F194-H219 HydrophobicContact CD2-CB 4.34Å; F194-H219 HydrophobicContact CE2-CB 4.32Å; F194-H219 CarbonylContact O-C 3.56Å; F194-H219 WeakPolarHBondContact O-CB 3.32Å; N195-H219 WeakPolarHBondContact CA-O 3.47Å; N195-H219 VanDerWaalsContact CB-O 3.23Å; N195-H219 WeakPolarHBondContact CB-O 3.45Å; S215-H219 WeakPolarHBondContact O-CB 3.26Å; S215-H219 PolarHBondContact O-N 3.22Å |
| 220 | G | 91.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 73.8 Ų | 73.8 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -59.3 | 155.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | L216 R222 H223 L224 | L216-G220 WeakPolarHBondContact O-CA 3.4Å; L216-G220 PolarHBondContact O-N 3.25Å; G220-R222 PolarHBondContact O-N 3.41Å; G220-R222 VanDerWaalsContact O-N 3.13Å; G220-H223 WeakPolarHBondContact O-CB 3.39Å; G220-H223 PolarHBondContact O-N 3.04Å; G220-L224 PolarHBondContact O-N 2.91Å |
| 221 | K | 92.1 | Very high | 90.2 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -49.9 | -42.2 | -179 | -171.6 | -176.5 | -172.4 | 178.3 | 0 | 112.8 | V188 E190 N195 H223 L224 I225 | V188-K221 HydrophobicContact CG1-CG 4.1Å; E190-K221 HydrophobicContact CG-CD 3.92Å; E190-K221 VanDerWaalsContact OE1-CD 3.3Å; E190-K221 WeakPolarHBondContact OE1-CD 3.44Å; E190-K221 WeakPolarHBondContact OE1-CE 3.34Å; E190-K221 IonicContact OE1-NZ 2.94Å; E190-K221 PolarHBondContact OE1-NZ 3.16Å; N195-K221 PolarHBondContact O-N 3.32Å; K221-H223 PolarHBondContact O-N 3.27Å; K221-L224 PolarHBondContact O-N 3.44Å; K221-I225 HydrophobicContact CG-CD1 3.91Å; K221-I225 WeakPolarHBondContact O-CB 3.44Å; K221-I225 VanDerWaalsContact O-CG1 3.26Å; K221-I225 WeakPolarHBondContact O-CG1 3.49Å; K221-I225 PolarHBondContact O-N 2.86Å |
| 222 | R | 91.9 | Very high | 89.7 | Confident | 207 Ų | 207 | 68.2 Ų | 68.2 | 78% | 0.781 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 177.8 | -65.6 | 178.1 | 68.7 | 90.2 | -2.4 | 112.4 | G220 R226 | G220-R222 PolarHBondContact O-N 3.41Å; G220-R222 VanDerWaalsContact O-N 3.13Å; R222-R226 PolarHBondContact O-N 3.28Å; R222-R226 VanDerWaalsContact O-N 3.08Å |
| 223 | H | 92 | Very high | 89.3 | Confident | 66 Ų | 66 | 70.7 Ų | 70.7 | 31% | 0.306 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 177.4 | -172.8 | 98 | 0 | 0 | 0 | 110.8 | S217 H218 G220 K221 I225 R226 E227 | S217-H223 PolarHBondContact O-ND1 3.34Å; H218-H223 PolarHBondContact O-CD2 3.43Å; G220-H223 WeakPolarHBondContact O-CB 3.39Å; G220-H223 PolarHBondContact O-N 3.04Å; K221-H223 PolarHBondContact O-N 3.27Å; H223-I225 PolarHBondContact O-N 3.42Å; H223-R226 WeakPolarHBondContact O-CB 3.46Å; H223-R226 PolarHBondContact O-N 2.89Å; H223-E227 WeakPolarHBondContact O-CB 3.19Å; H223-E227 PolarHBondContact O-N 3.31Å |
| 224 | L | 91.3 | Very high | 88.9 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 176.1 | 176.2 | 64.8 | 0 | 0 | 0 | 112.1 | Y151 V188 G220 K221 R226 E227 I228 | Y151-L224 HydrophobicContact CD1-CD2 4.17Å; Y151-L224 HydrophobicContact CD2-CD2 3.28Å; Y151-L224 HydrophobicContact CE1-CD2 4.47Å; Y151-L224 HydrophobicContact CE2-CD2 3.68Å; Y151-L224 HydrophobicContact CG-CD1 4.13Å; Y151-L224 HydrophobicContact CG-CD2 3.57Å; Y151-L224 HydrophobicContact CG-CG 4.49Å; V188-L224 HydrophobicContact CG1-CD2 3.8Å; G220-L224 PolarHBondContact O-N 2.91Å; K221-L224 PolarHBondContact O-N 3.44Å; L224-R226 PolarHBondContact O-N 3.47Å; L224-E227 PolarHBondContact O-N 2.87Å; L224-I228 HydrophobicContact CD1-CD1 3.99Å; L224-I228 HydrophobicContact CD1-CG1 4.32Å; L224-I228 HydrophobicContact CG-CD1 3.89Å; L224-I228 VanDerWaalsContact O-CG1 3.22Å; L224-I228 WeakPolarHBondContact O-CG1 3.36Å; L224-I228 PolarHBondContact O-N 3.45Å |
| 225 | I | 90.7 | Very high | 88.4 | Confident | 17 Ų | 17 | 73.3 Ų | 73.3 | 9% | 0.087 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 177 | -72.1 | 166.3 | 0 | 0 | 0 | 110.5 | F183 E185 V188 K221 H223 E227 I228 K229 | F183-I225 HydrophobicContact CD1-CG2 4.45Å; F183-I225 HydrophobicContact CE1-CB 4.23Å; F183-I225 HydrophobicContact CE1-CG1 3.96Å; F183-I225 HydrophobicContact CE1-CG2 3.66Å; F183-I225 HydrophobicContact CZ-CG1 4.06Å; F183-I225 HydrophobicContact CZ-CG2 4.37Å; E185-I225 HydrophobicContact CB-CD1 4.21Å; V188-I225 HydrophobicContact CG2-CG1 4.09Å; K221-I225 HydrophobicContact CG-CD1 3.91Å; K221-I225 WeakPolarHBondContact O-CB 3.44Å; K221-I225 VanDerWaalsContact O-CG1 3.26Å; K221-I225 WeakPolarHBondContact O-CG1 3.49Å; K221-I225 PolarHBondContact O-N 2.86Å; H223-I225 PolarHBondContact O-N 3.42Å; I225-E227 PolarHBondContact O-N 2.93Å; I225-I228 PolarHBondContact O-N 3.37Å; I225-K229 HydrophobicContact CG2-CD 4.18Å; I225-K229 WeakPolarHBondContact O-CG 3.46Å; I225-K229 PolarHBondContact O-N 2.94Å |
| 226 | R | 91 | Very high | 87.8 | Confident | 151 Ų | 151 | 74.2 Ų | 74.2 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59 | -46 | 177.5 | -171.7 | -170.4 | -62.6 | 125.9 | -6.1 | 111.8 | R222 H223 L224 I228 K229 R230 | R222-R226 PolarHBondContact O-N 3.28Å; R222-R226 VanDerWaalsContact O-N 3.08Å; H223-R226 WeakPolarHBondContact O-CB 3.46Å; H223-R226 PolarHBondContact O-N 2.89Å; L224-R226 PolarHBondContact O-N 3.47Å; R226-I228 VanDerWaalsContact C-N 3.32Å; R226-I228 PolarHBondContact O-N 3.31Å; R226-K229 PolarHBondContact O-N 3.31Å; R226-R230 WeakPolarHBondContact O-CB 3.41Å; R226-R230 PolarHBondContact O-N 2.85Å |
| 227 | E | 89.6 | Confident | 87.6 | Confident | 49 Ų | 49 | 77.8 Ų | 77.8 | 23% | 0.229 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.2 | -34.8 | 179.3 | 176.6 | 60.1 | -169.1 | 0 | 0 | 112.4 | H223 L224 I225 R230 K231 | H223-E227 WeakPolarHBondContact O-CB 3.19Å; H223-E227 PolarHBondContact O-N 3.31Å; L224-E227 PolarHBondContact O-N 2.87Å; I225-E227 PolarHBondContact O-N 2.93Å; E227-R230 IonicContact OE1-CZ 3.9Å; E227-R230 IonicContact OE1-NH2 2.66Å; E227-R230 PolarHBondContact OE1-NH2 3.03Å; E227-R230 IonicContact OE2-CZ 2.63Å; E227-R230 IonicContact OE2-NE 3.93Å; E227-R230 PolarHBondContact OE2-NE 3.39Å; E227-R230 IonicContact OE2-NH2 2.97Å; E227-R230 PolarHBondContact OE2-NH2 2.79Å; E227-K231 PolarHBondContact O-N 2.81Å; E227-K231 VanDerWaalsContact OE1-CE 3.26Å; E227-K231 WeakPolarHBondContact OE1-CE 3.36Å; E227-K231 IonicContact OE1-NZ 2.97Å; E227-K231 PolarHBondContact OE1-NZ 3.36Å |
| 228 | I | 87.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.9 | -48.6 | 173.2 | -67.6 | 164.4 | 0 | 0 | 0 | 110.5 | K156 L160 F183 L224 I225 R226 K231 L232 | K156-I228 HydrophobicContact CG-CD1 4.12Å; K156-I228 HydrophobicContact CG-CG1 4.24Å; L160-I228 HydrophobicContact CD2-CG2 3.41Å; L160-I228 VanDerWaalsContact CD2-CG2 3.41Å; L160-I228 HydrophobicContact CG-CG2 4.32Å; F183-I228 HydrophobicContact CD2-CG2 3.83Å; F183-I228 HydrophobicContact CE2-CB 4.18Å; F183-I228 HydrophobicContact CE2-CD1 3.97Å; F183-I228 HydrophobicContact CE2-CG2 3.53Å; F183-I228 HydrophobicContact CZ-CB 4.41Å; F183-I228 HydrophobicContact CZ-CD1 4.05Å; F183-I228 HydrophobicContact CZ-CG2 4.21Å; L224-I228 HydrophobicContact CD1-CD1 3.99Å; L224-I228 HydrophobicContact CD1-CG1 4.32Å; L224-I228 HydrophobicContact CG-CD1 3.89Å; L224-I228 VanDerWaalsContact O-CG1 3.22Å; L224-I228 WeakPolarHBondContact O-CG1 3.36Å; L224-I228 PolarHBondContact O-N 3.45Å; I225-I228 PolarHBondContact O-N 3.37Å; R226-I228 VanDerWaalsContact C-N 3.32Å; R226-I228 PolarHBondContact O-N 3.31Å; I228-K231 PolarHBondContact O-N 3.01Å; I228-L232 HydrophobicContact CG2-CD1 4.39Å; I228-L232 WeakPolarHBondContact O-CG 3.43Å; I228-L232 PolarHBondContact O-N 3.25Å; I228-L232 VanDerWaalsContact O-N 3.09Å |
| 229 | K | 86.7 | Confident | 87.2 | Confident | 77 Ų | 77 | 74.6 Ų | 74.6 | 34% | 0.335 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 179.3 | -72 | -177.6 | -178.8 | -178.6 | 0 | 112 | F183 E185 I225 R226 K231 L232 E233 | F183-K229 HydrophobicContact CD1-CG 4.4Å; E185-K229 WeakPolarHBondContact OE1-CE 3.21Å; E185-K229 IonicContact OE1-NZ 3.91Å; E185-K229 PolarHBondContact OE1-NZ 3.47Å; I225-K229 HydrophobicContact CG2-CD 4.18Å; I225-K229 WeakPolarHBondContact O-CG 3.46Å; I225-K229 PolarHBondContact O-N 2.94Å; R226-K229 PolarHBondContact O-N 3.31Å; K229-K231 VanDerWaalsContact C-N 3.3Å; K229-K231 PolarHBondContact O-N 3.32Å; K229-L232 WeakPolarHBondContact O-CB 3.5Å; K229-L232 PolarHBondContact O-N 3.01Å; K229-L232 VanDerWaalsContact O-N 3.11Å; K229-E233 WeakPolarHBondContact O-CG 3.46Å; K229-E233 PolarHBondContact O-N 3.3Å |
| 230 | R | 89 | Confident | 87 | Confident | 96 Ų | 96 | 79.3 Ų | 79.3 | 36% | 0.362 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.8 | -45 | 175.6 | -175.4 | -173.7 | 67.1 | 82.1 | -0.4 | 112.1 | R226 E227 E233 E234 | R226-R230 WeakPolarHBondContact O-CB 3.41Å; R226-R230 PolarHBondContact O-N 2.85Å; E227-R230 IonicContact OE1-CZ 3.9Å; E227-R230 IonicContact OE1-NH2 2.66Å; E227-R230 PolarHBondContact OE1-NH2 3.03Å; E227-R230 IonicContact OE2-CZ 2.63Å; E227-R230 IonicContact OE2-NE 3.93Å; E227-R230 PolarHBondContact OE2-NE 3.39Å; E227-R230 IonicContact OE2-NH2 2.97Å; E227-R230 PolarHBondContact OE2-NH2 2.79Å; R230-E233 PolarHBondContact O-N 2.96Å; R230-E234 IonicContact CZ-OE1 2.83Å; R230-E234 IonicContact CZ-OE2 2.75Å; R230-E234 IonicContact NH1-OE1 2.9Å; R230-E234 PolarHBondContact NH1-OE1 3.39Å; R230-E234 IonicContact NH1-OE2 3.58Å; R230-E234 PolarHBondContact NH1-OE2 3.39Å; R230-E234 WeakPolarHBondContact O-CG 3.48Å; R230-E234 PolarHBondContact O-N 3.06Å |
| 231 | K | 86 | Confident | 86.8 | Confident | 81 Ų | 81 | 82.6 Ų | 82.6 | 35% | 0.352 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 178.8 | -80.1 | 177.7 | 161.3 | 144.7 | 0 | 113 | E227 I228 K229 E234 D235 | E227-K231 PolarHBondContact O-N 2.81Å; E227-K231 VanDerWaalsContact OE1-CE 3.26Å; E227-K231 WeakPolarHBondContact OE1-CE 3.36Å; E227-K231 IonicContact OE1-NZ 2.97Å; E227-K231 PolarHBondContact OE1-NZ 3.36Å; I228-K231 PolarHBondContact O-N 3.01Å; K229-K231 VanDerWaalsContact C-N 3.3Å; K229-K231 PolarHBondContact O-N 3.32Å; K231-E234 PolarHBondContact O-N 3.31Å; K231-D235 WeakPolarHBondContact O-CB 3.49Å; K231-D235 VanDerWaalsContact O-CG 3.31Å; K231-D235 PolarHBondContact O-N 3.48Å |
| 232 | L | 82.5 | Confident | 86.5 | Confident | 34 Ų | 34 | 86.1 Ų | 86.1 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 173.5 | -68.9 | 170.6 | 0 | 0 | 0 | 112 | L160 F183 I228 K229 E234 D235 D236 | L160-L232 HydrophobicContact CD1-CD2 4.46Å; L160-L232 HydrophobicContact CD2-CD1 3.48Å; L160-L232 VanDerWaalsContact CD2-CD1 3.48Å; L160-L232 HydrophobicContact CD2-CD2 3.55Å; L160-L232 HydrophobicContact CD2-CG 3.72Å; F183-L232 HydrophobicContact CB-CD1 4.3Å; I228-L232 HydrophobicContact CG2-CD1 4.39Å; I228-L232 WeakPolarHBondContact O-CG 3.43Å; I228-L232 PolarHBondContact O-N 3.25Å; I228-L232 VanDerWaalsContact O-N 3.09Å; K229-L232 WeakPolarHBondContact O-CB 3.5Å; K229-L232 PolarHBondContact O-N 3.01Å; K229-L232 VanDerWaalsContact O-N 3.11Å; L232-E234 VanDerWaalsContact C-N 3.33Å; L232-E234 PolarHBondContact O-N 3.11Å; L232-D235 PolarHBondContact O-N 2.89Å; L232-D236 WeakPolarHBondContact O-CB 3.45Å; L232-D236 PolarHBondContact O-N 3.22Å |
| 233 | E | 82.6 | Confident | 86.2 | Confident | 105 Ų | 105 | 82.4 Ų | 82.4 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 176.6 | -69.3 | 169.3 | -160.2 | 0 | 0 | 111.7 | K229 R230 R237 | K229-E233 WeakPolarHBondContact O-CG 3.46Å; K229-E233 PolarHBondContact O-N 3.3Å; R230-E233 PolarHBondContact O-N 2.96Å; E233-R237 WeakPolarHBondContact O-CB 3.17Å; E233-R237 VanDerWaalsContact O-CG 3.23Å; E233-R237 WeakPolarHBondContact O-CG 3.39Å; E233-R237 PolarHBondContact O-N 3.19Å |
| 234 | E | 85.7 | Confident | 85.8 | Confident | 83 Ų | 83 | 87.3 Ų | 87.3 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 173.7 | -77.7 | 167.1 | -169.1 | 0 | 0 | 111.8 | R230 K231 L232 D236 R237 T238 | R230-E234 IonicContact CZ-OE1 2.83Å; R230-E234 IonicContact CZ-OE2 2.75Å; R230-E234 IonicContact NH1-OE1 2.9Å; R230-E234 PolarHBondContact NH1-OE1 3.39Å; R230-E234 IonicContact NH1-OE2 3.58Å; R230-E234 PolarHBondContact NH1-OE2 3.39Å; R230-E234 WeakPolarHBondContact O-CG 3.48Å; R230-E234 PolarHBondContact O-N 3.06Å; K231-E234 PolarHBondContact O-N 3.31Å; L232-E234 VanDerWaalsContact C-N 3.33Å; L232-E234 PolarHBondContact O-N 3.11Å; E234-D236 VanDerWaalsContact C-N 3.34Å; E234-D236 PolarHBondContact O-N 3.11Å; E234-R237 PolarHBondContact O-N 3.25Å; E234-T238 VanDerWaalsContact O-CG2 3.31Å; E234-T238 WeakPolarHBondContact O-CG2 3.44Å; E234-T238 PolarHBondContact O-N 3.45Å |
| 235 | D | 81.3 | Confident | 85.5 | Confident | 100 Ų | 100 | 94 Ų | 94 | 54% | 0.535 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 177.6 | -74.8 | -22.3 | 0 | 0 | 0 | 110.8 | K231 L232 R237 T238 V239 | K231-D235 WeakPolarHBondContact O-CB 3.49Å; K231-D235 VanDerWaalsContact O-CG 3.31Å; K231-D235 PolarHBondContact O-N 3.48Å; L232-D235 PolarHBondContact O-N 2.89Å; D235-R237 PolarHBondContact O-N 3.29Å; D235-T238 PolarHBondContact O-N 3.47Å; D235-T238 VanDerWaalsContact O-N 3.17Å; D235-T238 PolarHBondContact O-OG1 2.89Å; D235-V239 WeakPolarHBondContact O-CG2 3.41Å; D235-V239 PolarHBondContact O-N 3.13Å |
| 236 | D | 79.4 | Confident | 85.1 | Confident | 52 Ų | 52 | 98.5 Ų | 98.5 | 28% | 0.278 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 175.7 | 179.3 | 43.7 | 0 | 0 | 0 | 112.2 | L232 E234 T238 V239 R240 | L232-D236 WeakPolarHBondContact O-CB 3.45Å; L232-D236 PolarHBondContact O-N 3.22Å; E234-D236 VanDerWaalsContact C-N 3.34Å; E234-D236 PolarHBondContact O-N 3.11Å; D236-T238 VanDerWaalsContact C-N 3.31Å; D236-T238 PolarHBondContact O-N 2.63Å; D236-V239 PolarHBondContact O-N 2.87Å; D236-R240 WeakPolarHBondContact O-CG 3.35Å; D236-R240 PolarHBondContact O-N 2.96Å; D236-R240 IonicContact OD1-CZ 2.76Å; D236-R240 IonicContact OD1-NE 3.67Å; D236-R240 PolarHBondContact OD1-NE 3.04Å; D236-R240 VanDerWaalsContact OD1-NE 3.09Å; D236-R240 IonicContact OD1-NH2 3.21Å; D236-R240 IonicContact OD2-CZ 3.33Å; D236-R240 IonicContact OD2-NE 3.09Å; D236-R240 PolarHBondContact OD2-NE 2.63Å; D236-R240 IonicContact OD2-NH1 3.67Å; D236-R240 IonicContact OD2-NH2 3.79Å; D236-R240 PolarHBondContact OD2-NH2 2.96Å |
| 237 | R | 85.9 | Confident | 84.8 | Confident | 164 Ų | 164 | 95.3 Ų | 95.3 | 62% | 0.619 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58.4 | -42.6 | 173 | -74.4 | 173.2 | -170 | -167.7 | 5.2 | 111.7 | E233 E234 D235 R240 T241 | E233-R237 WeakPolarHBondContact O-CB 3.17Å; E233-R237 VanDerWaalsContact O-CG 3.23Å; E233-R237 WeakPolarHBondContact O-CG 3.39Å; E233-R237 PolarHBondContact O-N 3.19Å; E234-R237 PolarHBondContact O-N 3.25Å; D235-R237 PolarHBondContact O-N 3.29Å; R237-R240 PolarHBondContact O-N 3.44Å; R237-T241 WeakPolarHBondContact O-CB 3.25Å; R237-T241 PolarHBondContact O-N 3.43Å; R237-T241 PolarHBondContact O-OG1 3.25Å |
| 238 | T | 85.6 | Confident | 84.4 | Confident | 62 Ų | 62 | 97.1 Ų | 97.1 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 178.1 | 70.2 | 0 | 0 | 0 | 0 | 112 | E234 D235 D236 T241 K242 | E234-T238 VanDerWaalsContact O-CG2 3.31Å; E234-T238 WeakPolarHBondContact O-CG2 3.44Å; E234-T238 PolarHBondContact O-N 3.45Å; D235-T238 PolarHBondContact O-N 3.47Å; D235-T238 VanDerWaalsContact O-N 3.17Å; D235-T238 PolarHBondContact O-OG1 2.89Å; D236-T238 VanDerWaalsContact C-N 3.31Å; D236-T238 PolarHBondContact O-N 2.63Å; T238-T241 PolarHBondContact O-N 3.48Å; T238-K242 WeakPolarHBondContact O-CB 3.27Å; T238-K242 VanDerWaalsContact O-CG 3.26Å; T238-K242 WeakPolarHBondContact O-CG 3.45Å; T238-K242 PolarHBondContact O-N 2.94Å |
| 239 | V | 81.9 | Confident | 84.1 | Confident | 90 Ų | 90 | 101.6 Ų | 101.6 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | D235 D236 T241 K242 K243 | D235-V239 WeakPolarHBondContact O-CG2 3.41Å; D235-V239 PolarHBondContact O-N 3.13Å; D236-V239 PolarHBondContact O-N 2.87Å; V239-T241 VanDerWaalsContact C-N 3.35Å; V239-T241 PolarHBondContact O-N 2.99Å; V239-K242 PolarHBondContact O-N 2.81Å; V239-K243 WeakPolarHBondContact O-CB 3.38Å; V239-K243 PolarHBondContact O-N 2.92Å |
| 240 | R | 83 | Confident | 83.8 | Confident | 146 Ų | 146 | 102.2 Ų | 102.2 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 176.4 | -68.8 | 176.8 | -167.7 | -167.7 | 2.8 | 112.2 | D236 R237 K243 R244 | D236-R240 WeakPolarHBondContact O-CG 3.35Å; D236-R240 PolarHBondContact O-N 2.96Å; D236-R240 IonicContact OD1-CZ 2.76Å; D236-R240 IonicContact OD1-NE 3.67Å; D236-R240 PolarHBondContact OD1-NE 3.04Å; D236-R240 VanDerWaalsContact OD1-NE 3.09Å; D236-R240 IonicContact OD1-NH2 3.21Å; D236-R240 IonicContact OD2-CZ 3.33Å; D236-R240 IonicContact OD2-NE 3.09Å; D236-R240 PolarHBondContact OD2-NE 2.63Å; D236-R240 IonicContact OD2-NH1 3.67Å; D236-R240 IonicContact OD2-NH2 3.79Å; D236-R240 PolarHBondContact OD2-NH2 2.96Å; R237-R240 PolarHBondContact O-N 3.44Å; R240-K243 WeakPolarHBondContact O-CB 3.48Å; R240-K243 PolarHBondContact O-N 3.01Å; R240-R244 PolarHBondContact O-N 3.43Å |
| 241 | T | 87.7 | Confident | 83.2 | Confident | 72 Ų | 72 | 100.5 Ų | 100.5 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 177.3 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | R237 T238 V239 K243 R244 R245 | R237-T241 WeakPolarHBondContact O-CB 3.25Å; R237-T241 PolarHBondContact O-N 3.43Å; R237-T241 PolarHBondContact O-OG1 3.25Å; T238-T241 PolarHBondContact O-N 3.48Å; V239-T241 VanDerWaalsContact C-N 3.35Å; V239-T241 PolarHBondContact O-N 2.99Å; T241-K243 VanDerWaalsContact C-N 3.35Å; T241-R244 PolarHBondContact O-N 3.44Å; T241-R245 WeakPolarHBondContact O-CG 3.23Å; T241-R245 PolarHBondContact O-N 2.97Å |
| 242 | K | 86.1 | Confident | 82.8 | Confident | 132 Ų | 132 | 100.4 Ų | 100.4 | 57% | 0.574 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.9 | -40.6 | 174.8 | -75.5 | 170.4 | -178.9 | 169.5 | 0 | 111.9 | T238 V239 R245 L246 | T238-K242 WeakPolarHBondContact O-CB 3.27Å; T238-K242 VanDerWaalsContact O-CG 3.26Å; T238-K242 WeakPolarHBondContact O-CG 3.45Å; T238-K242 PolarHBondContact O-N 2.94Å; V239-K242 PolarHBondContact O-N 2.81Å; K242-R245 PolarHBondContact O-N 3.3Å; K242-L246 WeakPolarHBondContact O-CG 3.49Å; K242-L246 PolarHBondContact O-N 3.43Å |
| 243 | K | 84.8 | Confident | 82.3 | Confident | 130 Ų | 130 | 105.9 Ų | 105.9 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -49.2 | 175.6 | -175.2 | -179.1 | 176.3 | -175.8 | 0 | 111.3 | V239 R240 T241 R245 L246 D247 | V239-K243 WeakPolarHBondContact O-CB 3.38Å; V239-K243 PolarHBondContact O-N 2.92Å; R240-K243 WeakPolarHBondContact O-CB 3.48Å; R240-K243 PolarHBondContact O-N 3.01Å; T241-K243 VanDerWaalsContact C-N 3.35Å; K243-R245 VanDerWaalsContact C-N 3.33Å; K243-R245 PolarHBondContact O-N 2.59Å; K243-L246 WeakPolarHBondContact O-CA 3.31Å; K243-L246 WeakPolarHBondContact O-CB 3.13Å; K243-L246 PolarHBondContact O-N 3.45Å; K243-D247 PolarHBondContact O-N 3.13Å |
| 244 | R | 83.5 | Confident | 81.7 | Confident | 169 Ų | 169 | 104.2 Ų | 104.2 | 64% | 0.638 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.1 | -44.4 | 176.4 | -178.6 | 177.1 | 169.6 | 173.3 | 0.8 | 112.3 | R240 T241 L246 D247 E248 | R240-R244 PolarHBondContact O-N 3.43Å; T241-R244 PolarHBondContact O-N 3.44Å; R244-L246 VanDerWaalsContact C-N 3.28Å; R244-L246 PolarHBondContact O-N 3.39Å; R244-D247 PolarHBondContact O-N 3.21Å; R244-E248 HydrophobicContact CG-CG 4.4Å; R244-E248 WeakPolarHBondContact CG-OE1 3.48Å; R244-E248 IonicContact CZ-OE1 2.68Å; R244-E248 IonicContact NE-OE1 2.72Å; R244-E248 PolarHBondContact NE-OE1 3.29Å; R244-E248 IonicContact NH2-OE1 2.63Å; R244-E248 PolarHBondContact NH2-OE1 2.89Å; R244-E248 WeakPolarHBondContact O-CB 3.44Å; R244-E248 WeakPolarHBondContact O-CG 3.47Å; R244-E248 PolarHBondContact O-N 3.38Å |
| 245 | R | 85.2 | Confident | 80.6 | Confident | 163 Ų | 163 | 108 Ų | 108 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -34.3 | 175.2 | -71.6 | 179.4 | -179.6 | -172.8 | -0.6 | 112.8 | T241 K242 K243 N249 | T241-R245 WeakPolarHBondContact O-CG 3.23Å; T241-R245 PolarHBondContact O-N 2.97Å; K242-R245 PolarHBondContact O-N 3.3Å; K243-R245 VanDerWaalsContact C-N 3.33Å; K243-R245 PolarHBondContact O-N 2.59Å; R245-N249 WeakPolarHBondContact O-CB 3.3Å; R245-N249 VanDerWaalsContact O-CG 3.29Å; R245-N249 PolarHBondContact O-N 2.83Å; R245-N249 VanDerWaalsContact O-N 3.13Å; R245-N249 PolarHBondContact O-ND2 2.76Å |
| 246 | L | 82.4 | Confident | 79.7 | Confident | 110 Ų | 110 | 113.1 Ų | 113.1 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.3 | -44 | 175.2 | -72.5 | 164.6 | 0 | 0 | 0 | 110.8 | K242 K243 R244 N249 I250 | K242-L246 WeakPolarHBondContact O-CG 3.49Å; K242-L246 PolarHBondContact O-N 3.43Å; K243-L246 WeakPolarHBondContact O-CA 3.31Å; K243-L246 WeakPolarHBondContact O-CB 3.13Å; K243-L246 PolarHBondContact O-N 3.45Å; R244-L246 VanDerWaalsContact C-N 3.28Å; R244-L246 PolarHBondContact O-N 3.39Å; L246-N249 PolarHBondContact O-N 3.36Å; L246-I250 WeakPolarHBondContact O-CD1 3.36Å; L246-I250 VanDerWaalsContact O-CG1 3.22Å; L246-I250 WeakPolarHBondContact O-CG1 3.42Å; L246-I250 PolarHBondContact O-N 3.44Å |
| 247 | D | 83.6 | Confident | 78.7 | Confident | 85 Ų | 85 | 117.2 Ų | 117.2 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -41.8 | 178.7 | -63.1 | -23.2 | 0 | 0 | 0 | 111.5 | K243 R244 I250 A251 | K243-D247 PolarHBondContact O-N 3.13Å; R244-D247 PolarHBondContact O-N 3.21Å; D247-I250 PolarHBondContact O-N 3.29Å; D247-A251 PolarHBondContact O-N 3.46Å |
| 248 | E | 82.4 | Confident | 77.5 | Confident | 86 Ų | 86 | 116.7 Ų | 116.7 | 40% | 0.402 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -40.4 | 174.1 | -73.9 | 168.7 | 176.9 | 0 | 0 | 112.3 | R244 I250 A251 S252 | R244-E248 HydrophobicContact CG-CG 4.4Å; R244-E248 WeakPolarHBondContact CG-OE1 3.48Å; R244-E248 IonicContact CZ-OE1 2.68Å; R244-E248 IonicContact NE-OE1 2.72Å; R244-E248 PolarHBondContact NE-OE1 3.29Å; R244-E248 IonicContact NH2-OE1 2.63Å; R244-E248 PolarHBondContact NH2-OE1 2.89Å; R244-E248 WeakPolarHBondContact O-CB 3.44Å; R244-E248 WeakPolarHBondContact O-CG 3.47Å; R244-E248 PolarHBondContact O-N 3.38Å; E248-I250 VanDerWaalsContact C-N 3.33Å; E248-A251 PolarHBondContact O-N 3.14Å; E248-S252 WeakPolarHBondContact O-CB 3.28Å; E248-S252 PolarHBondContact O-N 3.48Å; E248-S252 PolarHBondContact O-OG 3.5Å |
| 249 | N | 81.9 | Confident | 75.9 | Confident | 97 Ų | 97 | 117 Ų | 117 | 52% | 0.519 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.5 | -34 | 174.4 | -83.9 | -50.8 | 0 | 0 | 0 | 112.5 | R245 L246 K253 | R245-N249 WeakPolarHBondContact O-CB 3.3Å; R245-N249 VanDerWaalsContact O-CG 3.29Å; R245-N249 PolarHBondContact O-N 2.83Å; R245-N249 VanDerWaalsContact O-N 3.13Å; R245-N249 PolarHBondContact O-ND2 2.76Å; L246-N249 PolarHBondContact O-N 3.36Å; N249-K253 WeakPolarHBondContact O-CG 3.36Å; N249-K253 PolarHBondContact O-N 3.22Å |
| 250 | I | 79.6 | Confident | 74.2 | Confident | 89 Ų | 89 | 120.9 Ų | 120.9 | 46% | 0.456 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.6 | -47.5 | 174.8 | -67.8 | 161.8 | 0 | 0 | 0 | 109.6 | L246 D247 E248 S252 K253 V254 | L246-I250 WeakPolarHBondContact O-CD1 3.36Å; L246-I250 VanDerWaalsContact O-CG1 3.22Å; L246-I250 WeakPolarHBondContact O-CG1 3.42Å; L246-I250 PolarHBondContact O-N 3.44Å; D247-I250 PolarHBondContact O-N 3.29Å; E248-I250 VanDerWaalsContact C-N 3.33Å; I250-S252 VanDerWaalsContact C-N 3.32Å; I250-S252 PolarHBondContact O-N 3.3Å; I250-K253 PolarHBondContact O-N 3.08Å; I250-K253 VanDerWaalsContact O-N 3.14Å; I250-V254 HydrophobicContact CG2-CG2 4.47Å; I250-V254 WeakPolarHBondContact O-CG2 3.46Å; I250-V254 PolarHBondContact O-N 2.96Å |
| 251 | A | 76.4 | Confident | 72.6 | Confident | 61 Ų | 61 | 119 Ų | 119 | 50% | 0.504 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D247 E248 K253 V254 F255 | D247-A251 PolarHBondContact O-N 3.46Å; E248-A251 PolarHBondContact O-N 3.14Å; A251-K253 VanDerWaalsContact C-N 3.3Å; A251-K253 PolarHBondContact O-N 3.08Å; A251-V254 PolarHBondContact O-N 2.86Å; A251-F255 PolarHBondContact O-N 3.44Å |
| 252 | S | 76.8 | Confident | 70.8 | Confident | 79 Ų | 79 | 121 Ų | 121 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.3 | -31.5 | 177.6 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | E248 I250 R256 | E248-S252 WeakPolarHBondContact O-CB 3.28Å; E248-S252 PolarHBondContact O-N 3.48Å; E248-S252 PolarHBondContact O-OG 3.5Å; I250-S252 VanDerWaalsContact C-N 3.32Å; I250-S252 PolarHBondContact O-N 3.3Å; S252-R256 PolarHBondContact O-N 3.22Å |
| 253 | K | 72.7 | Confident | 69 | Low | 148 Ų | 148 | 124.1 Ų | 124.1 | 64% | 0.643 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.6 | -41.6 | 174 | -75 | 178.2 | -179.7 | -173.7 | 0 | 112 | N249 I250 A251 F255 R256 D257 | N249-K253 WeakPolarHBondContact O-CG 3.36Å; N249-K253 PolarHBondContact O-N 3.22Å; I250-K253 PolarHBondContact O-N 3.08Å; I250-K253 VanDerWaalsContact O-N 3.14Å; A251-K253 VanDerWaalsContact C-N 3.3Å; A251-K253 PolarHBondContact O-N 3.08Å; K253-F255 VanDerWaalsContact C-N 3.33Å; K253-F255 PolarHBondContact O-N 2.87Å; K253-R256 PolarHBondContact O-N 3.29Å; K253-D257 PolarHBondContact O-N 2.99Å; K253-D257 VanDerWaalsContact O-N 3.11Å |
| 254 | V | 70.5 | Confident | 67.4 | Low | 71 Ų | 71 | 121.9 Ų | 121.9 | 43% | 0.43 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.1 | -39 | 178 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | I250 A251 Q258 | I250-V254 HydrophobicContact CG2-CG2 4.47Å; I250-V254 WeakPolarHBondContact O-CG2 3.46Å; I250-V254 PolarHBondContact O-N 2.96Å; A251-V254 PolarHBondContact O-N 2.86Å; V254-Q258 PolarHBondContact O-N 3.11Å |
| 255 | F | 62.8 | Low | 65.6 | Low | 163 Ų | 163 | 119.8 Ų | 119.8 | 72% | 0.715 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.6 | -36.1 | 176.2 | -166.8 | -97.9 | 0 | 0 | 0 | 112.4 | A251 K253 Q258 A259 | A251-F255 PolarHBondContact O-N 3.44Å; K253-F255 VanDerWaalsContact C-N 3.33Å; K253-F255 PolarHBondContact O-N 2.87Å; F255-Q258 PolarHBondContact O-N 3.38Å; F255-A259 PolarHBondContact O-N 3.35Å |
| 256 | R | 61.2 | Low | 63.9 | Low | 207 Ų | 207 | 120 Ų | 120 | 78% | 0.781 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.9 | -31.9 | 179.4 | -162.8 | 173.4 | -174.7 | 167.7 | 1.8 | 113.1 | S252 K253 Q258 | S252-R256 PolarHBondContact O-N 3.22Å; K253-R256 PolarHBondContact O-N 3.29Å; R256-Q258 VanDerWaalsContact C-N 3.35Å |
| 257 | D | 59.6 | Low | 62 | Low | 138 Ų | 138 | 121.7 Ų | 121.7 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -79 | -16 | 178.6 | -70.8 | -19.7 | 0 | 0 | 0 | 113.2 | K253 | K253-D257 PolarHBondContact O-N 2.99Å; K253-D257 VanDerWaalsContact O-N 3.11Å |
| 258 | Q | 60 | Low | 60.3 | Low | 153 Ų | 153 | 127.5 Ų | 127.5 | 72% | 0.715 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -96.1 | -11.4 | 177.3 | -68.2 | -177.9 | 22.6 | 0 | 0 | 114.2 | V254 F255 R256 Q260 | V254-Q258 PolarHBondContact O-N 3.11Å; F255-Q258 PolarHBondContact O-N 3.38Å; R256-Q258 VanDerWaalsContact C-N 3.35Å; Q258-Q260 PolarHBondContact O-N 3.35Å |
| 259 | A | 52.6 | Low | 59 | Low | 67 Ų | 67 | 131.8 Ų | 131.8 | 55% | 0.554 | 70% | 0.699 | S | S | * | * | trans | -93.8 | 26.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F255 P261 | F255-A259 PolarHBondContact O-N 3.35Å; A259-P261 WeakPolarHBondContact O-CD 3.34Å | ||
| 260 | Q | 45.3 | Very low | 57.3 | Low | 172 Ų | 172 | 131.5 Ų | 131.5 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -89.4 | 111.6 | 166.6 | -83.7 | -99.5 | -67.5 | 0 | 0 | 109.1 | Q258 S262 | Q258-Q260 PolarHBondContact O-N 3.35Å; Q260-S262 PolarHBondContact O-N 2.9Å | ||
| 261 | P | 49.6 | Very low | 55.7 | Low | 107 Ų | 107 | 134.5 Ų | 134.5 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | trans | -67.7 | 127.5 | 176.4 | -9.9 | 25.6 | 0 | 0 | 0 | 109.2 | A259 H263 | A259-P261 WeakPolarHBondContact O-CD 3.34Å; P261-H263 PolarHBondContact O-N 3.2Å | ||
| 262 | S | 49.5 | Very low | 54.3 | Low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -64.1 | 121.4 | 167.6 | 52.3 | 0 | 0 | 0 | 0 | 108.9 | Q260 A264 | Q260-S262 PolarHBondContact O-N 2.9Å; S262-A264 PolarHBondContact O-N 3.2Å; S262-A264 VanDerWaalsContact O-N 3.07Å | ||
| 263 | H | 49 | Very low | 52.9 | Low | 196 Ų | 196 | 140.4 Ų | 140.4 | 91% | 0.907 | 74% | 0.735 | S | S | * | * | trans | -65.8 | 102.7 | 167.3 | -76.2 | -87.1 | 0 | 0 | 0 | 108.1 | P261 | P261-H263 PolarHBondContact O-N 3.2Š| ||
| 264 | A | 50 | Low | 51.5 | Low | 84 Ų | 84 | 137.3 Ų | 137.3 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 148.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S262 | S262-A264 PolarHBondContact O-N 3.2Å; S262-A264 VanDerWaalsContact O-N 3.07Å |
| 265 | P | 45.9 | Very low | 50.5 | Low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 143.6 | -169.7 | -10.5 | 28.1 | 0 | 0 | 0 | 112.9 | ||
| 266 | I | 49.6 | Very low | 49.6 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 129.4 | -178.9 | -66.9 | 160.7 | 0 | 0 | 0 | 112.9 | ||
| 267 | D | 44 | Very low | 48.8 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66 | 154 | 174.6 | -61.6 | -59.3 | 0 | 0 | 0 | 114.2 | ||
| 268 | K | 46.8 | Very low | 48.1 | Very low | 206 Ų | 206 | 137.3 Ų | 137.3 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | trans | -122.3 | 99.4 | 151.1 | -80.8 | -173.3 | 177.3 | -176.7 | 0 | 108.3 | ||||
| 269 | E | 55.4 | Low | 47.1 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | 43.9 | 154.6 | 128.6 | -69.1 | -98 | 134.1 | 0 | 0 | 120.8 | |||||
| 270 | P | 45.7 | Very low | 46.5 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 59% | 0.591 | 78% | 0.779 | S | S | * | * | -142.6 | -160.5 | -54.7 | 40.1 | -19.3 | 0 | 0 | 0 | 111.3 | |||||
| 271 | L | 46.5 | Very low | 46.4 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 87.6 | 133.1 | -179.2 | -77.1 | 107.5 | 0 | 0 | 0 | 114.5 | ||||
| 272 | D | 47.2 | Very low | 45.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | cis | -162.7 | 156.3 | 21.5 | -150.3 | -0.3 | 0 | 0 | 0 | 110.8 | ||||
| 273 | D | 47.8 | Very low | 45.3 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | 60.6 | 128.3 | 153.4 | -60.9 | -41 | 0 | 0 | 0 | 124.8 | ||||
| 274 | G | 42.7 | Very low | 44.9 | Very low | 83 Ų | 83 | 135.8 Ų | 135.8 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | 131.8 | 104.3 | 135.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 275 | E | 48.6 | Very low | 44.2 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -80 | -174 | -172.4 | -128.4 | -151.5 | 138.3 | 0 | 0 | 115.4 | ||||
| 276 | P | 43.9 | Very low | 43.9 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | -126.7 | -174.8 | -124.1 | 38.4 | -15.4 | 0 | 0 | 0 | 114.5 | |||||
| 277 | S | 45.7 | Very low | 43.4 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 162.3 | 110.6 | 148.2 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 278 | E | 43.7 | Very low | 43.6 | Very low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | 73.9 | 123.8 | 93.2 | -70.9 | -157.8 | 161.5 | 0 | 0 | 116.8 | |||||
| 279 | T | 39.4 | Very low | 43.3 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | trans | 155.4 | 103.9 | 144.6 | 38.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 280 | S | 40.4 | Very low | 42.7 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | 78.6 | 137.2 | 61.3 | 82.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 281 | L | 42.3 | Very low | 42.4 | Very low | 150 Ų | 150 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 101.2 | 99.3 | 165.8 | -56.7 | 168 | 0 | 0 | 0 | 114.6 | ||||
| 282 | T | 34.6 | Very low | 42.1 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | 68.7 | 114.2 | 53.6 | 74.4 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 283 | D | 42 | Very low | 41.5 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -172.7 | 109.9 | 134.4 | -92.5 | -30.6 | 0 | 0 | 0 | 109.1 | ||||
| 284 | N | 40.2 | Very low | 40.8 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | 64 | 132.3 | 89.3 | -69.4 | -42.3 | 0 | 0 | 0 | 113.3 | |||||
| 285 | C | 35.6 | Very low | 40.5 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | -173.7 | -177.9 | -3.8 | -155.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 286 | V | 40.4 | Very low | 40.1 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | trans | 110.2 | 88.1 | 167.4 | -167.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 287 | E | 38.1 | Very low | 39.9 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -86.5 | 147.2 | 156 | -63.4 | -165 | 143.8 | 0 | 0 | 110.6 | ||||
| 288 | V | 49.6 | Very low | 39.6 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -137.3 | 106.2 | 151.7 | -179 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 289 | D | 39.9 | Very low | 39.5 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 139.4 | 173.5 | -63.4 | -66.7 | 0 | 0 | 0 | 111.4 | ||||
| 290 | D | 41.8 | Very low | 39.8 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -145.7 | 133.9 | 145.3 | -144 | -23.6 | 0 | 0 | 0 | 109.5 | ||||
| 291 | E | 39.8 | Very low | 40 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -73.6 | 143.7 | -155.9 | -65.7 | -161.6 | 111.6 | 0 | 0 | 114.7 | ||||
| 292 | T | 40 | Very low | 40.4 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -76.1 | 160.5 | 161.4 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 293 | P | 35.1 | Very low | 41 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | -133.7 | 137.5 | 109.7 | 18.4 | 0.7 | 0 | 0 | 0 | 113.6 | |||||
| 294 | S | 34.4 | Very low | 41.3 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -44 | 134 | 165 | 27.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 295 | T | 35.8 | Very low | 41.4 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -141.2 | 139.1 | 154.9 | -37.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 296 | S | 39.7 | Very low | 42 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -65.3 | 147.4 | -163.7 | 55.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 297 | S | 39.5 | Very low | 42.7 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | 34.6 | 120.7 | 129.7 | -46.2 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 298 | G | 39.1 | Very low | 43.4 | Very low | 70 Ų | 70 | 138.1 Ų | 138.1 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 148.7 | 95 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 299 | E | 42.6 | Very low | 43.4 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 24.3 | 118.7 | 142 | -58.6 | 179.4 | 138.6 | 0 | 0 | 120.2 | ||||
| 300 | I | 45.9 | Very low | 43.7 | Very low | 173 Ų | 173 | 135 Ų | 135 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -138.8 | 92.2 | 133.3 | -55.4 | -177.5 | 0 | 0 | 0 | 109.7 | ||||
| 301 | L | 43 | Very low | 43.8 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -71.6 | 124.4 | 156.1 | -176.4 | 79.7 | 0 | 0 | 0 | 108.1 | ||||
| 302 | S | 51.1 | Low | 44 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 159.9 | 128.2 | 137.2 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 303 | Q | 47.6 | Very low | 44.4 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | 139.8 | 67.7 | 139.2 | -71.6 | -174.3 | 31.1 | 0 | 0 | 112 | ||||
| 304 | R | 48.9 | Very low | 44.9 | Very low | 247 Ų | 247 | 133.1 Ų | 133.1 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -137.2 | 80.6 | 152.4 | -119.2 | 178.2 | 174.2 | 174 | -2 | 109.1 | G306 | R304-G306 VanDerWaalsContact C-N 3.26Å; R304-G306 PolarHBondContact O-N 3.48Å | ||
| 305 | T | 41.6 | Very low | 45.9 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 96% | 0.963 | 78% | 0.775 | S | S | * | * | trans | -71.6 | 88.2 | 162.5 | 47.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 306 | G | 48.7 | Very low | 46.5 | Very low | 57 Ų | 57 | 137.9 Ų | 137.9 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -142.2 | 136.7 | 164 | 0 | 0 | 0 | 0 | 0 | 107 | R304 | R304-G306 VanDerWaalsContact C-N 3.26Å; R304-G306 PolarHBondContact O-N 3.48Å |
| 307 | T | 55.1 | Low | 47 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -44 | 127.7 | 173.8 | -39.2 | 0 | 0 | 0 | 0 | 108.9 | A309 | T307-A309 PolarHBondContact O-N 3.47Š| ||
| 308 | P | 51.4 | Low | 47.8 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -58.9 | 113.2 | 176.9 | 24.3 | -31.5 | 0 | 0 | 0 | 107 | ||||
| 309 | A | 50.8 | Low | 49.3 | Very low | 79 Ų | 79 | 145.7 Ų | 145.7 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | trans | -60.2 | 136.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106 | T307 F311 | T307-A309 PolarHBondContact O-N 3.47Å; A309-F311 PolarHBondContact O-N 3.37Å | ||
| 310 | P | 45.4 | Very low | 50.4 | Low | 123 Ų | 123 | 145.8 Ų | 145.8 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -56.3 | 113 | 168.3 | 24.7 | -30 | 0 | 0 | 0 | 106 | V312 | P310-V312 PolarHBondContact O-N 3.33Š| ||
| 311 | F | 44.3 | Very low | 51.6 | Low | 171 Ų | 171 | 142.3 Ų | 142.3 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | trans | -57 | 136.1 | 168.7 | 49.9 | -88.1 | 0 | 0 | 0 | 106.4 | A309 V313 | A309-F311 PolarHBondContact O-N 3.37Å; F311-V313 PolarHBondContact O-N 3.17Å | ||
| 312 | V | 45 | Very low | 53.3 | Low | 123 Ų | 123 | 137 Ų | 137 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | -55.2 | 115.5 | 172.6 | 176.8 | 0 | 0 | 0 | 0 | 106.4 | P310 H314 | P310-V312 PolarHBondContact O-N 3.33Å; V312-H314 VanDerWaalsContact C-N 3.32Å; V312-H314 PolarHBondContact O-N 2.97Å | ||
| 313 | V | 47.5 | Very low | 54.5 | Low | 116 Ų | 116 | 139.7 Ų | 139.7 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | -63.3 | 100.9 | 169.7 | 179.3 | 0 | 0 | 0 | 0 | 105.3 | F311 K315 | F311-V313 PolarHBondContact O-N 3.17Å; V313-K315 PolarHBondContact O-N 2.75Å | ||
| 314 | H | 46.3 | Very low | 56 | Low | 139 Ų | 139 | 138.3 Ų | 138.3 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | trans | -56.4 | 132.8 | 173.1 | -102.6 | -99.8 | 0 | 0 | 0 | 108.4 | V312 Y316 | V312-H314 VanDerWaalsContact C-N 3.32Å; V312-H314 PolarHBondContact O-N 2.97Å; H314-Y316 PolarHBondContact O-N 2.83Å | ||
| 315 | K | 53.8 | Low | 57.6 | Low | 167 Ų | 167 | 134 Ų | 134 | 73% | 0.726 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -64.6 | 28.1 | 177.5 | -93.2 | -175 | 176 | 180 | 0 | 114.3 | D171 V313 | D171-K315 IonicContact OD1-NZ 2.78Å; D171-K315 PolarHBondContact OD1-NZ 2.85Å; D171-K315 IonicContact OD2-NZ 3.5Å; V313-K315 PolarHBondContact O-N 2.75Å |
| 316 | Y | 49.7 | Very low | 59.1 | Low | 182 Ų | 182 | 134.3 Ų | 134.3 | 71% | 0.714 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -123.8 | 102.2 | 179.8 | -64.2 | -77 | 0 | 0 | 0 | 110.3 | H314 F318 | H314-Y316 PolarHBondContact O-N 2.83Å; Y316-F318 PolarHBondContact O-N 2.9Å |
| 317 | G | 50.3 | Low | 60.6 | Low | 87 Ų | 87 | 135.2 Ų | 135.2 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | trans | 52.8 | 1.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | E319 | G317-E319 PolarHBondContact O-N 2.84Å; G317-E319 VanDerWaalsContact O-N 3.08Å | ||
| 318 | F | 56.3 | Low | 61.8 | Low | 184 Ų | 184 | 133 Ų | 133 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | trans | -75.7 | 103 | 177.4 | -91.3 | -86.5 | 0 | 0 | 0 | 110.1 | Y316 K320 | Y316-F318 PolarHBondContact O-N 2.9Å; F318-K320 PolarHBondContact O-N 2.94Å | ||
| 319 | E | 69.1 | Low | 63.1 | Low | 182 Ų | 182 | 131.2 Ų | 131.2 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 121.4 | 156.7 | -80 | -172.3 | 155.5 | 0 | 0 | 108 | G317 | G317-E319 PolarHBondContact O-N 2.84Å; G317-E319 VanDerWaalsContact O-N 3.08Å |
| 320 | K | 66.2 | Low | 64.4 | Low | 189 Ų | 189 | 134 Ų | 134 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 127.3 | 172.3 | -69.6 | 174.5 | -177.1 | 171.4 | 0 | 107 | F318 S322 | F318-K320 PolarHBondContact O-N 2.94Å; K320-S322 PolarHBondContact O-N 2.8Å |
| 321 | P | 71.5 | Confident | 65.8 | Low | 101 Ų | 101 | 137 Ų | 137 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 133.2 | 173.2 | -22 | 30.5 | 0 | 0 | 0 | 108.8 | K325 | P321-K325 HydrophobicContact CB-CB 4.5Š|
| 322 | S | 79.3 | Confident | 67.2 | Low | 54 Ų | 54 | 138.1 Ų | 138.1 | 38% | 0.378 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 147.1 | 176.9 | 65.6 | 0 | 0 | 0 | 0 | 109.6 | K320 E324 K325 | K320-S322 PolarHBondContact O-N 2.8Å; S322-E324 PolarHBondContact O-N 3.18Å; S322-K325 WeakPolarHBondContact O-CB 3.43Å; S322-K325 PolarHBondContact O-N 3.22Å; S322-K325 PolarHBondContact OG-N 3.3Å |
| 323 | L | 75.8 | Confident | 68.3 | Low | 154 Ų | 154 | 138.5 Ų | 138.5 | 81% | 0.806 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -53.6 | -30 | 178.2 | -176 | 65.4 | 0 | 0 | 0 | 111.8 | F326 | L323-F326 WeakPolarHBondContact O-CB 3.47Å; L323-F326 PolarHBondContact O-N 2.71Å |
| 324 | E | 79.7 | Confident | 69.2 | Low | 152 Ų | 152 | 141.3 Ų | 141.3 | 71% | 0.71 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -68.1 | -34.5 | 176.7 | -64.7 | 170.5 | 170.6 | 0 | 0 | 113.1 | S322 F326 S327 A328 | S322-E324 PolarHBondContact O-N 3.18Å; E324-F326 PolarHBondContact O-N 2.98Å; E324-S327 PolarHBondContact O-N 3.22Å; E324-S327 PolarHBondContact O-OG 3Å; E324-A328 PolarHBondContact O-N 2.86Å |
| 325 | K | 81 | Confident | 70 | Confident | 155 Ų | 155 | 143.8 Ų | 143.8 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -67.5 | -23.2 | 173 | -73.4 | -179.4 | -179.2 | -179.6 | 0 | 112.1 | P321 S322 | P321-K325 HydrophobicContact CB-CB 4.5Å; S322-K325 WeakPolarHBondContact O-CB 3.43Å; S322-K325 PolarHBondContact O-N 3.22Å; S322-K325 PolarHBondContact OG-N 3.3Å |
| 326 | F | 74.6 | Confident | 70 | Confident | 165 Ų | 165 | 142.9 Ų | 142.9 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -74.7 | -29.1 | 176.6 | -163.8 | -91.4 | 0 | 0 | 0 | 112.5 | L323 E324 | L323-F326 WeakPolarHBondContact O-CB 3.47Å; L323-F326 PolarHBondContact O-N 2.71Å; E324-F326 PolarHBondContact O-N 2.98Å |
| 327 | S | 79.1 | Confident | 70.2 | Confident | 75 Ų | 75 | 144 Ų | 144 | 52% | 0.524 | 74% | 0.74 | S | S | . | * | H | α-helix | trans | -89 | -18.5 | 179.1 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | E324 G329 M330 | E324-S327 PolarHBondContact O-N 3.22Å; E324-S327 PolarHBondContact O-OG 3Å; S327-G329 PolarHBondContact O-N 3.39Å; S327-G329 VanDerWaalsContact O-N 3.17Å; S327-M330 PolarHBondContact O-N 3.16Å |
| 328 | A | 80.6 | Confident | 70.1 | Confident | 78 Ų | 78 | 146.7 Ų | 146.7 | 65% | 0.645 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 115.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E324 | E324-A328 PolarHBondContact O-N 2.86Š|
| 329 | G | 78.9 | Confident | 69.5 | Low | 79 Ų | 79 | 143.1 Ų | 143.1 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93 | -4.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S327 Q331 | S327-G329 PolarHBondContact O-N 3.39Å; S327-G329 VanDerWaalsContact O-N 3.17Å; G329-Q331 PolarHBondContact O-N 3.34Å |
| 330 | M | 77.5 | Confident | 68.3 | Low | 138 Ų | 138 | 142.5 Ų | 142.5 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | trans | -67.4 | 102.8 | 167.7 | -72.5 | -169.5 | 73.4 | 0 | 0 | 109.3 | S327 K332 | S327-M330 PolarHBondContact O-N 3.16Å; M330-K332 PolarHBondContact O-N 2.71Å | ||
| 331 | Q | 75.4 | Confident | 67.4 | Low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | trans | -59.4 | 132.4 | 171.4 | -77.8 | -177.5 | -9 | 0 | 0 | 109.6 | G329 L333 | G329-Q331 PolarHBondContact O-N 3.34Å; Q331-L333 PolarHBondContact O-N 3.02Å; Q331-L333 VanDerWaalsContact O-N 3.16Å | ||
| 332 | K | 74.3 | Confident | 66.5 | Low | 195 Ų | 195 | 143 Ų | 143 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | -58.7 | 121.8 | 171.9 | -159.4 | 174.7 | -173.3 | 179.2 | 0 | 106.9 | M330 E334 | M330-K332 PolarHBondContact O-N 2.71Å; K332-E334 VanDerWaalsContact C-N 3.27Å; K332-E334 PolarHBondContact O-N 3.13Å | ||
| 333 | L | 68.2 | Low | 65.2 | Low | 130 Ų | 130 | 143.5 Ų | 143.5 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | trans | -67.3 | 89.5 | -179.3 | -143.9 | 115 | 0 | 0 | 0 | 108.3 | Q331 Y335 | Q331-L333 PolarHBondContact O-N 3.02Å; Q331-L333 VanDerWaalsContact O-N 3.16Å; L333-Y335 HydrophobicContact CD2-CD1 4.27Å; L333-Y335 HydrophobicContact CD2-CD2 4.49Å; L333-Y335 HydrophobicContact CD2-CE1 3.67Å; L333-Y335 HydrophobicContact CD2-CE2 3.93Å; L333-Y335 VanDerWaalsContact CD2-CZ 3.48Å; L333-Y335 PolarHBondContact O-N 3.44Å; L333-Y335 VanDerWaalsContact O-N 3.15Å | ||
| 334 | E | 65.6 | Low | 64.2 | Low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | -73.4 | 103.6 | 170.3 | -81.2 | -166.1 | 157.8 | 0 | 0 | 108 | K332 Q336 | K332-E334 VanDerWaalsContact C-N 3.27Å; K332-E334 PolarHBondContact O-N 3.13Å; E334-Q336 VanDerWaalsContact C-N 3.32Å; E334-Q336 PolarHBondContact O-N 3.39Å | ||
| 335 | Y | 63.7 | Low | 63.6 | Low | 190 Ų | 190 | 136.8 Ų | 136.8 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | trans | -64.6 | 98.8 | 163.9 | -64.4 | -83.4 | 0 | 0 | 0 | 107.4 | L333 K337 | L333-Y335 HydrophobicContact CD2-CD1 4.27Å; L333-Y335 HydrophobicContact CD2-CD2 4.49Å; L333-Y335 HydrophobicContact CD2-CE1 3.67Å; L333-Y335 HydrophobicContact CD2-CE2 3.93Å; L333-Y335 VanDerWaalsContact CD2-CZ 3.48Å; L333-Y335 PolarHBondContact O-N 3.44Å; L333-Y335 VanDerWaalsContact O-N 3.15Å; Y335-K337 PolarHBondContact O-N 3.34Å | ||
| 336 | Q | 53.5 | Low | 63.2 | Low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | -53.7 | 106.2 | 165.7 | -104.8 | -178.5 | -1.3 | 0 | 0 | 107.5 | E334 Q338 | E334-Q336 VanDerWaalsContact C-N 3.32Å; E334-Q336 PolarHBondContact O-N 3.39Å; Q336-Q338 HydrophobicContact CB-CG 4.39Å; Q336-Q338 HydrophobicContact CG-CG 4.33Å; Q336-Q338 PolarHBondContact O-N 2.93Å | ||
| 337 | K | 53.4 | Low | 63.2 | Low | 207 Ų | 207 | 135.7 Ų | 135.7 | 90% | 0.9 | 72% | 0.721 | S | S | * | * | trans | -73.6 | 43.5 | 168.4 | -69.8 | -178.9 | 179 | 174.5 | 0 | 110 | Y335 S339 | Y335-K337 PolarHBondContact O-N 3.34Å; K337-S339 PolarHBondContact O-N 3.47Å | ||
| 338 | Q | 48.1 | Very low | 63.2 | Low | 143 Ų | 143 | 139 Ų | 139 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | -83.3 | 105.8 | 174.3 | -72.3 | -169 | 6.6 | 0 | 0 | 108.7 | Q336 Q340 | Q336-Q338 HydrophobicContact CB-CG 4.39Å; Q336-Q338 HydrophobicContact CG-CG 4.33Å; Q336-Q338 PolarHBondContact O-N 2.93Å; Q338-Q340 PolarHBondContact O-N 2.84Å; Q338-Q340 VanDerWaalsContact O-N 3.16Å | ||
| 339 | S | 43.8 | Very low | 63 | Low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | -51 | 104.6 | 171.8 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | K337 | K337-S339 PolarHBondContact O-N 3.47Š| ||
| 340 | Q | 44.6 | Very low | 63 | Low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | -101.5 | 108.1 | 151.4 | -77.3 | -86.4 | -25.7 | 0 | 0 | 106.4 | Q338 M342 | Q338-Q340 PolarHBondContact O-N 2.84Å; Q338-Q340 VanDerWaalsContact O-N 3.16Å; Q340-M342 VanDerWaalsContact C-N 3.32Å; Q340-M342 PolarHBondContact O-N 3.37Å | ||
| 341 | P | 47.8 | Very low | 63.3 | Low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 88.6 | -178.4 | 31.7 | -28.9 | 0 | 0 | 0 | 107.3 | ||
| 342 | M | 51.3 | Low | 63.8 | Low | 185 Ų | 185 | 135.4 Ų | 135.4 | 91% | 0.911 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 172.2 | -10.3 | 162.7 | -93.1 | -49 | -90.6 | 0 | 0 | 111.4 | Q340 I344 | Q340-M342 VanDerWaalsContact C-N 3.32Å; Q340-M342 PolarHBondContact O-N 3.37Å; M342-I344 PolarHBondContact O-N 3.44Å |
| 343 | G | 51.3 | Low | 64.4 | Low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | trans | -88 | 82.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S345 | G343-S345 PolarHBondContact O-N 3.18Š| ||
| 344 | I | 56.6 | Low | 65.4 | Low | 103 Ų | 103 | 132.3 Ų | 132.3 | 53% | 0.528 | 66% | 0.657 | S | S | . | * | trans | -54.7 | 113.8 | 159.8 | -62.6 | 171.8 | 0 | 0 | 0 | 106 | M342 L346 K348 R349 | M342-I344 PolarHBondContact O-N 3.44Å; I344-L346 PolarHBondContact O-N 3.47Å; I344-K348 HydrophobicContact CG2-CB 3.38Å; I344-R349 HydrophobicContact CG2-CB 4.05Å | ||
| 345 | S | 67 | Low | 66.6 | Low | 62 Ų | 62 | 128 Ų | 128 | 43% | 0.434 | 64% | 0.64 | S | S | . | * | trans | -46.3 | 136.7 | -179.7 | 68.1 | 0 | 0 | 0 | 0 | 109.2 | G343 F347 K348 R349 | G343-S345 PolarHBondContact O-N 3.18Å; S345-F347 CarbonylContact O-C 3.48Å; S345-F347 PolarHBondContact O-N 3.36Å; S345-K348 WeakPolarHBondContact O-CA 3.33Å; S345-K348 PolarHBondContact O-N 3.02Å; S345-K348 WeakPolarHBondContact OG-CG 3.32Å; S345-K348 PolarHBondContact OG-N 3.28Å; S345-R349 PolarHBondContact O-N 3.06Å | ||
| 346 | L | 72.8 | Confident | 67.8 | Low | 139 Ų | 139 | 124 Ų | 124 | 73% | 0.728 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -45.9 | -36.7 | -176.7 | -174.5 | 114 | 0 | 0 | 0 | 111.5 | I344 R349 L350 | I344-L346 PolarHBondContact O-N 3.47Å; L346-R349 PolarHBondContact O-N 3Å; L346-L350 HydrophobicContact CD2-CD1 3.81Å; L346-L350 HydrophobicContact CG-CD1 4.23Å; L346-L350 WeakPolarHBondContact O-CB 3.11Å; L346-L350 VanDerWaalsContact O-CG 3.3Å; L346-L350 WeakPolarHBondContact O-CG 3.17Å; L346-L350 PolarHBondContact O-N 3.35Å |
| 347 | F | 74.2 | Confident | 69.5 | Low | 157 Ų | 157 | 119.8 Ų | 119.8 | 69% | 0.689 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.6 | -48.2 | 173.5 | -163 | -93.2 | 0 | 0 | 0 | 114.2 | S345 R349 L350 S351 | S345-F347 CarbonylContact O-C 3.48Å; S345-F347 PolarHBondContact O-N 3.36Å; F347-R349 VanDerWaalsContact C-N 3.28Å; F347-R349 PolarHBondContact O-N 3.01Å; F347-L350 PolarHBondContact O-N 2.94Å; F347-S351 WeakPolarHBondContact O-CB 3.46Å; F347-S351 PolarHBondContact O-N 3.18Å; F347-S351 PolarHBondContact O-OG 2.86Å; F347-S351 VanDerWaalsContact O-OG 3.07Å |
| 348 | K | 77.9 | Confident | 71.3 | Confident | 144 Ų | 144 | 115.1 Ų | 115.1 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.5 | -39.4 | 173.7 | -81.3 | -177.6 | 178.4 | -178.7 | 0 | 111 | I344 S345 S351 L352 | I344-K348 HydrophobicContact CG2-CB 3.38Å; S345-K348 WeakPolarHBondContact O-CA 3.33Å; S345-K348 PolarHBondContact O-N 3.02Å; S345-K348 WeakPolarHBondContact OG-CG 3.32Å; S345-K348 PolarHBondContact OG-N 3.28Å; K348-S351 PolarHBondContact O-N 3.08Å; K348-L352 WeakPolarHBondContact O-CB 3.5Å; K348-L352 PolarHBondContact O-N 3.37Å |
| 349 | R | 76.8 | Confident | 73.4 | Confident | 170 Ų | 170 | 113.5 Ų | 113.5 | 64% | 0.642 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.6 | -44.2 | 177.9 | -168.8 | 174.9 | -176.7 | 165.5 | 2.3 | 112.1 | I344 S345 L346 F347 L352 L353 | I344-R349 HydrophobicContact CG2-CB 4.05Å; S345-R349 PolarHBondContact O-N 3.06Å; L346-R349 PolarHBondContact O-N 3Å; F347-R349 VanDerWaalsContact C-N 3.28Å; F347-R349 PolarHBondContact O-N 3.01Å; R349-L352 PolarHBondContact O-N 3.15Å; R349-L353 HydrophobicContact CG-CD1 4.23Å; R349-L353 PolarHBondContact O-N 2.78Å |
| 350 | L | 78.8 | Confident | 75.6 | Confident | 101 Ų | 101 | 112.2 Ų | 112.2 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63 | -41.2 | 175.3 | -75.9 | 169 | 0 | 0 | 0 | 111.9 | L346 F347 L353 R354 | L346-L350 HydrophobicContact CD2-CD1 3.81Å; L346-L350 HydrophobicContact CG-CD1 4.23Å; L346-L350 WeakPolarHBondContact O-CB 3.11Å; L346-L350 VanDerWaalsContact O-CG 3.3Å; L346-L350 WeakPolarHBondContact O-CG 3.17Å; L346-L350 PolarHBondContact O-N 3.35Å; F347-L350 PolarHBondContact O-N 2.94Å; L350-L353 PolarHBondContact O-N 3.44Å; L350-R354 WeakPolarHBondContact O-CB 3.34Å; L350-R354 PolarHBondContact O-N 2.96Å |
| 351 | S | 85.1 | Confident | 77.7 | Confident | 47 Ų | 47 | 108.2 Ų | 108.2 | 33% | 0.329 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.8 | -42.3 | 174.9 | -67 | 0 | 0 | 0 | 0 | 112.3 | F347 K348 R354 N355 | F347-S351 WeakPolarHBondContact O-CB 3.46Å; F347-S351 PolarHBondContact O-N 3.18Å; F347-S351 PolarHBondContact O-OG 2.86Å; F347-S351 VanDerWaalsContact O-OG 3.07Å; K348-S351 PolarHBondContact O-N 3.08Å; S351-R354 PolarHBondContact O-N 3.4Å; S351-N355 PolarHBondContact O-N 3.27Å |
| 352 | L | 85.6 | Confident | 79.8 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 47% | 0.466 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65 | -44.8 | 177.3 | -131.8 | 144.9 | 0 | 0 | 0 | 111.5 | K348 R349 R354 N355 Q356 | K348-L352 WeakPolarHBondContact O-CB 3.5Å; K348-L352 PolarHBondContact O-N 3.37Å; R349-L352 PolarHBondContact O-N 3.15Å; L352-R354 PolarHBondContact O-N 3.25Å; L352-N355 PolarHBondContact O-N 3.12Å; L352-Q356 HydrophobicContact CD2-CG 4.5Å; L352-Q356 WeakPolarHBondContact O-CG 3.29Å; L352-Q356 PolarHBondContact O-N 3.31Å |
| 353 | L | 86.9 | Confident | 81.7 | Confident | 92 Ų | 92 | 105.9 Ų | 105.9 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 173.9 | -82.5 | 158 | 0 | 0 | 0 | 112.3 | R349 L350 Q356 S357 | R349-L353 HydrophobicContact CG-CD1 4.23Å; R349-L353 PolarHBondContact O-N 2.78Å; L350-L353 PolarHBondContact O-N 3.44Å; L353-Q356 PolarHBondContact O-N 3.23Å; L353-S357 PolarHBondContact O-N 2.93Å; L353-S357 PolarHBondContact O-OG 3.2Å |
| 354 | R | 88.5 | Confident | 83.4 | Confident | 167 Ų | 167 | 109.5 Ų | 109.5 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 177.3 | -172.2 | 177.4 | -177.7 | 179.6 | -0.3 | 111.4 | L350 S351 L352 S357 K358 | L350-R354 WeakPolarHBondContact O-CB 3.34Å; L350-R354 PolarHBondContact O-N 2.96Å; S351-R354 PolarHBondContact O-N 3.4Å; L352-R354 PolarHBondContact O-N 3.25Å; R354-S357 PolarHBondContact O-N 2.97Å; R354-S357 PolarHBondContact O-OG 3.38Å; R354-K358 WeakPolarHBondContact O-CG 3.38Å; R354-K358 PolarHBondContact O-N 3.35Å; R354-K358 VanDerWaalsContact O-N 3.14Å |
| 355 | N | 90.6 | Very high | 84.9 | Confident | 87 Ų | 87 | 109.5 Ų | 109.5 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 176.5 | -71.5 | -13.3 | 0 | 0 | 0 | 111.3 | S351 L352 S357 K358 E359 | S351-N355 PolarHBondContact O-N 3.27Å; L352-N355 PolarHBondContact O-N 3.12Å; N355-S357 VanDerWaalsContact C-N 3.32Å; N355-S357 PolarHBondContact O-N 2.75Å; N355-K358 WeakPolarHBondContact O-CB 3.06Å; N355-K358 PolarHBondContact O-N 3.2Å; N355-E359 PolarHBondContact O-N 3.4Å |
| 356 | Q | 90 | Very high | 85.9 | Confident | 106 Ų | 106 | 111.5 Ų | 111.5 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -56.3 | -44.5 | 173.1 | -73.7 | 176.2 | -10.6 | 0 | 0 | 112.1 | L352 L353 K358 E359 T360 | L352-Q356 HydrophobicContact CD2-CG 4.5Å; L352-Q356 WeakPolarHBondContact O-CG 3.29Å; L352-Q356 PolarHBondContact O-N 3.31Å; L353-Q356 PolarHBondContact O-N 3.23Å; Q356-K358 VanDerWaalsContact C-N 3.27Å; Q356-K358 PolarHBondContact O-N 3.33Å; Q356-E359 PolarHBondContact O-N 3.41Å; Q356-T360 WeakPolarHBondContact O-CG2 3.45Å; Q356-T360 PolarHBondContact O-N 3.45Å; Q356-T360 PolarHBondContact O-OG1 3.09Å |
| 357 | S | 89 | Confident | 86.5 | Confident | 58 Ų | 58 | 111.5 Ų | 111.5 | 41% | 0.406 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -29.8 | 176.5 | 69.3 | 0 | 0 | 0 | 0 | 113.7 | L353 R354 N355 T360 V361 | L353-S357 PolarHBondContact O-N 2.93Å; L353-S357 PolarHBondContact O-OG 3.2Å; R354-S357 PolarHBondContact O-N 2.97Å; R354-S357 PolarHBondContact O-OG 3.38Å; N355-S357 VanDerWaalsContact C-N 3.32Å; N355-S357 PolarHBondContact O-N 2.75Å; S357-T360 WeakPolarHBondContact CA-OG1 3.35Å; S357-T360 PolarHBondContact O-OG1 3.12Å; S357-V361 WeakPolarHBondContact O-CG2 3.46Å; S357-V361 PolarHBondContact O-N 3.21Å |
| 358 | K | 90.6 | Very high | 87 | Confident | 109 Ų | 109 | 109.8 Ų | 109.8 | 47% | 0.474 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.3 | -41.2 | 175.9 | -75.1 | 175.1 | 177.4 | -178.2 | 0 | 110.8 | R354 N355 Q356 V361 K362 | R354-K358 WeakPolarHBondContact O-CG 3.38Å; R354-K358 PolarHBondContact O-N 3.35Å; R354-K358 VanDerWaalsContact O-N 3.14Å; N355-K358 WeakPolarHBondContact O-CB 3.06Å; N355-K358 PolarHBondContact O-N 3.2Å; Q356-K358 VanDerWaalsContact C-N 3.27Å; Q356-K358 PolarHBondContact O-N 3.33Å; K358-V361 PolarHBondContact O-N 2.77Å; K358-K362 WeakPolarHBondContact O-CG 3.48Å; K358-K362 PolarHBondContact O-N 3.29Å |
| 359 | E | 91.8 | Very high | 87.1 | Confident | 110 Ų | 110 | 106.4 Ų | 106.4 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 176.1 | -131.7 | 85.2 | -126 | 0 | 0 | 111.1 | N355 Q356 K362 Q363 | N355-E359 PolarHBondContact O-N 3.4Å; Q356-E359 PolarHBondContact O-N 3.41Å; E359-K362 WeakPolarHBondContact O-CB 3.38Å; E359-K362 PolarHBondContact O-N 2.9Å; E359-Q363 WeakPolarHBondContact O-CG 3.4Å; E359-Q363 PolarHBondContact O-N 3.1Å |
| 360 | T | 90 | Very high | 87.2 | Confident | 82 Ų | 82 | 104.5 Ų | 104.5 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | -179.7 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | Q356 S357 Q363 F364 | Q356-T360 WeakPolarHBondContact O-CG2 3.45Å; Q356-T360 PolarHBondContact O-N 3.45Å; Q356-T360 PolarHBondContact O-OG1 3.09Å; S357-T360 WeakPolarHBondContact CA-OG1 3.35Å; S357-T360 PolarHBondContact O-OG1 3.12Å; T360-Q363 PolarHBondContact O-N 2.82Å; T360-F364 WeakPolarHBondContact O-CB 3.47Å; T360-F364 PolarHBondContact O-N 2.94Å |
| 361 | V | 89.5 | Confident | 87 | Confident | 85 Ų | 85 | 108.3 Ų | 108.3 | 52% | 0.515 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 174 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | S357 K358 F364 L365 | S357-V361 WeakPolarHBondContact O-CG2 3.46Å; S357-V361 PolarHBondContact O-N 3.21Å; K358-V361 PolarHBondContact O-N 2.77Å; V361-F364 PolarHBondContact O-N 3.37Å; V361-L365 HydrophobicContact CG1-CD1 4.18Å; V361-L365 WeakPolarHBondContact O-CG 3.44Å; V361-L365 PolarHBondContact O-N 2.95Å |
| 362 | K | 91.3 | Very high | 86 | Confident | 134 Ų | 134 | 113.7 Ų | 113.7 | 58% | 0.583 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.3 | -46.9 | 174.7 | -78.3 | -178.9 | 178.6 | -177.5 | 0 | 112 | K358 E359 F364 L365 L366 | K358-K362 WeakPolarHBondContact O-CG 3.48Å; K358-K362 PolarHBondContact O-N 3.29Å; E359-K362 WeakPolarHBondContact O-CB 3.38Å; E359-K362 PolarHBondContact O-N 2.9Å; K362-F364 VanDerWaalsContact C-N 3.32Å; K362-F364 PolarHBondContact O-N 2.93Å; K362-L365 PolarHBondContact O-N 2.93Å; K362-L366 PolarHBondContact O-N 3.38Å |
| 363 | Q | 90.8 | Very high | 84.8 | Confident | 117 Ų | 117 | 112.8 Ų | 112.8 | 55% | 0.547 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.2 | -38.3 | 177.2 | -72.8 | -176.1 | 3.7 | 0 | 0 | 112.3 | E359 T360 L366 K367 | E359-Q363 WeakPolarHBondContact O-CG 3.4Å; E359-Q363 PolarHBondContact O-N 3.1Å; T360-Q363 PolarHBondContact O-N 2.82Å; Q363-L366 PolarHBondContact O-N 3.39Å; Q363-K367 WeakPolarHBondContact O-CG 3.46Å; Q363-K367 PolarHBondContact O-N 2.98Å |
| 364 | F | 88.7 | Confident | 82.9 | Confident | 141 Ų | 141 | 119.9 Ų | 119.9 | 62% | 0.618 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.5 | -42.2 | 175.6 | -177.4 | -96.8 | 0 | 0 | 0 | 111.9 | T360 V361 K362 K367 K368 | T360-F364 WeakPolarHBondContact O-CB 3.47Å; T360-F364 PolarHBondContact O-N 2.94Å; V361-F364 PolarHBondContact O-N 3.37Å; K362-F364 VanDerWaalsContact C-N 3.32Å; K362-F364 PolarHBondContact O-N 2.93Å; F364-K367 PolarHBondContact O-N 2.99Å; F364-K368 WeakPolarHBondContact O-CB 3.39Å; F364-K368 PolarHBondContact O-N 3.08Å |
| 365 | L | 87.2 | Confident | 82.6 | Confident | 103 Ų | 103 | 117.5 Ų | 117.5 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65 | -41.1 | 176 | -68.5 | 173.7 | 0 | 0 | 0 | 112.1 | V361 K362 K368 S369 | V361-L365 HydrophobicContact CG1-CD1 4.18Å; V361-L365 WeakPolarHBondContact O-CG 3.44Å; V361-L365 PolarHBondContact O-N 2.95Å; K362-L365 PolarHBondContact O-N 2.93Å; L365-K368 PolarHBondContact O-N 3.37Å; L365-S369 PolarHBondContact O-N 2.94Å; L365-S369 PolarHBondContact O-OG 3.22Å |
| 366 | L | 87.9 | Confident | 82.2 | Confident | 103 Ų | 103 | 119.1 Ų | 119.1 | 54% | 0.539 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.5 | -43.2 | 174.2 | -97.3 | 137.3 | 0 | 0 | 0 | 112.8 | K362 Q363 K368 S369 Q370 | K362-L366 PolarHBondContact O-N 3.38Å; Q363-L366 PolarHBondContact O-N 3.39Å; L366-K368 VanDerWaalsContact C-N 3.31Å; L366-K368 PolarHBondContact O-N 3.31Å; L366-S369 WeakPolarHBondContact CA-OG 3.3Å; L366-S369 PolarHBondContact O-N 3.38Å; L366-S369 PolarHBondContact O-OG 3.47Å; L366-Q370 WeakPolarHBondContact O-CG 3.48Å; L366-Q370 PolarHBondContact O-N 3.17Å |
| 367 | K | 85.9 | Confident | 81.8 | Confident | 140 Ų | 140 | 119.8 Ų | 119.8 | 61% | 0.609 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.4 | -35 | 174.3 | -76.2 | -177.1 | 178.7 | -178.2 | 0 | 112.1 | Q363 F364 K371 | Q363-K367 WeakPolarHBondContact O-CG 3.46Å; Q363-K367 PolarHBondContact O-N 2.98Å; F364-K367 PolarHBondContact O-N 2.99Å; K367-K371 PolarHBondContact O-N 2.65Å; K367-K371 VanDerWaalsContact O-N 3.13Å |
| 368 | K | 85.1 | Confident | 81.3 | Confident | 121 Ų | 121 | 123.5 Ų | 123.5 | 53% | 0.526 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.5 | -35.7 | 176.1 | -169.2 | 178.3 | 178.8 | -177.8 | 0 | 111.9 | F364 L365 L366 | F364-K368 WeakPolarHBondContact O-CB 3.39Å; F364-K368 PolarHBondContact O-N 3.08Å; L365-K368 PolarHBondContact O-N 3.37Å; L366-K368 VanDerWaalsContact C-N 3.31Å; L366-K368 PolarHBondContact O-N 3.31Å |
| 369 | S | 79.7 | Confident | 80.8 | Confident | 73 Ų | 73 | 124.4 Ų | 124.4 | 51% | 0.51 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.7 | -36.1 | 174.5 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | L365 L366 H372 G373 | L365-S369 PolarHBondContact O-N 2.94Å; L365-S369 PolarHBondContact O-OG 3.22Å; L366-S369 WeakPolarHBondContact CA-OG 3.3Å; L366-S369 PolarHBondContact O-N 3.38Å; L366-S369 PolarHBondContact O-OG 3.47Å; S369-H372 PolarHBondContact O-N 3.42Å; S369-G373 PolarHBondContact O-N 3.04Å |
| 370 | Q | 78.6 | Confident | 80 | Confident | 130 Ų | 130 | 125.3 Ų | 125.3 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.3 | -38.2 | 175.7 | -74.1 | 176.3 | -13 | 0 | 0 | 112.4 | L366 H372 G373 | L366-Q370 WeakPolarHBondContact O-CG 3.48Å; L366-Q370 PolarHBondContact O-N 3.17Å; Q370-H372 PolarHBondContact O-N 3.17Å; Q370-G373 PolarHBondContact O-N 3.49Å |
| 371 | K | 73.6 | Confident | 79.3 | Confident | 180 Ų | 180 | 128.4 Ų | 128.4 | 78% | 0.783 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -8.1 | 176.9 | -77.5 | -168.8 | 175 | -167.2 | 0 | 115.5 | K367 | K367-K371 PolarHBondContact O-N 2.65Å; K367-K371 VanDerWaalsContact O-N 3.13Å |
| 372 | H | 64.9 | Low | 78.5 | Confident | 160 Ų | 160 | 131.8 Ų | 131.8 | 74% | 0.741 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 7.7 | 175.3 | -86.8 | -61.5 | 0 | 0 | 0 | 112.5 | S369 Q370 | S369-H372 PolarHBondContact O-N 3.42Å; Q370-H372 PolarHBondContact O-N 3.17Å |
| 373 | G | 59.5 | Low | 77.5 | Confident | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | trans | -119.6 | 4.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S369 Q370 | S369-G373 PolarHBondContact O-N 3.04Å; Q370-G373 PolarHBondContact O-N 3.49Å | ||
| 374 | E | 47.9 | Very low | 76.3 | Confident | 241 Ų | 241 | 132.9 Ų | 132.9 | 100% | 1.126 | 67% | 0.666 | S | S | * | * | trans | -105.5 | 0 | 157.8 | -73.1 | 178.8 | 167.9 | 0 | 0 | 107.7 |
Retrieved 374 of 374 residues in 196.6 ms
(Link to these results)