| 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 | 32.6 | Very low | 34 | Very low | 230 Ų | 230 | 153.5 Ų | 153.5 | 100% | 1.133 | 86% | 0.863 | S | S | * | * | 0 | 110.2 | 0 | -64.7 | 164.9 | 175.2 | 0 | 0 | 104.6 | |||||
| 2 | D | 38.4 | Very low | 33.5 | Very low | 153 Ų | 153 | 154 Ų | 154 | 82% | 0.818 | 86% | 0.862 | S | S | * | * | cis | -152.6 | 173.3 | 8.9 | -82.1 | -53.1 | 0 | 0 | 0 | 111 | ||||
| 3 | K | 36.4 | Very low | 33.6 | Very low | 201 Ų | 201 | 157.5 Ų | 157.5 | 87% | 0.874 | 87% | 0.868 | S | S | * | * | trans | -54.2 | 151.3 | -161.9 | -74.4 | 163 | 173.3 | 173 | 0 | 119.4 | ||||
| 4 | F | 27.5 | Very low | 33.4 | Very low | 201 Ų | 201 | 160.5 Ų | 160.5 | 88% | 0.882 | 87% | 0.872 | S | S | * | * | trans | -52.3 | 163.9 | 155.7 | -96.2 | -102.1 | 0 | 0 | 0 | 116.3 | ||||
| 5 | S | 33.8 | Very low | 33.2 | Very low | 107 Ų | 107 | 155.1 Ų | 155.1 | 75% | 0.748 | 87% | 0.869 | S | S | * | * | trans | 96.4 | 114.6 | 149.5 | -69.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 6 | S | 40.9 | Very low | 33.1 | Very low | 119 Ų | 119 | 157.7 Ų | 157.7 | 83% | 0.832 | 87% | 0.868 | S | S | * | * | -162.8 | 120.7 | 97.1 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 7 | S | 31 | Very low | 33.2 | Very low | 120 Ų | 120 | 155.2 Ų | 155.2 | 84% | 0.839 | 87% | 0.865 | S | S | * | * | trans | -81.1 | 145.9 | 166.9 | -51.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 8 | G | 33.7 | Very low | 33.3 | Very low | 80 Ų | 80 | 153.3 Ų | 153.3 | 83% | 0.825 | 86% | 0.858 | S | S | * | * | trans | -154.5 | 84.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 9 | E | 31.7 | Very low | 33.4 | Very low | 178 Ų | 178 | 149.5 Ų | 149.5 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | trans | -79.2 | 118.9 | 172.9 | -71.4 | 173.3 | 115 | 0 | 0 | 109.7 | ||||
| 10 | A | 33.3 | Very low | 33.5 | Very low | 104 Ų | 104 | 150 Ų | 150 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | trans | -89.7 | 121.8 | 165 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 11 | K | 34.5 | Very low | 33.8 | Very low | 196 Ų | 196 | 150.5 Ų | 150.5 | 85% | 0.852 | 84% | 0.843 | S | S | * | * | trans | -105.5 | 135.4 | 173.7 | -84.2 | -175.8 | 175.6 | 176.7 | 0 | 110.9 | ||||
| 12 | D | 28 | Very low | 34 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -52.3 | 140.8 | 168.3 | -77.5 | -57.5 | 0 | 0 | 0 | 114.2 | ||||
| 13 | E | 34.5 | Very low | 34.4 | Very low | 200 Ų | 200 | 144.8 Ų | 144.8 | 94% | 0.935 | 83% | 0.831 | S | S | * | * | trans | -140.1 | 149.7 | 145.1 | -78.6 | -162.3 | 154 | 0 | 0 | 111.6 | ||||
| 14 | Q | 30.6 | Very low | 34.8 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | -84.1 | 151.9 | -154 | -68.4 | 154 | -11.9 | 0 | 0 | 114.8 | ||||
| 15 | G | 31.7 | Very low | 35.9 | Very low | 80 Ų | 80 | 139 Ų | 139 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -160.5 | 68.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S17 | G15-S17 PolarHBondContact O-N 3.02Š| ||
| 16 | K | 31 | Very low | 36.5 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | trans | -71.5 | 102.2 | -177.4 | -176.3 | 175.6 | -176.4 | 174.8 | 0 | 111.2 | ||||
| 17 | S | 34.7 | Very low | 36.9 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | -86.1 | 108.5 | 162.3 | 60.4 | 0 | 0 | 0 | 0 | 109.3 | G15 | G15-S17 PolarHBondContact O-N 3.02Š| ||
| 18 | T | 35.3 | Very low | 37.5 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | trans | -60.4 | 129.7 | -179.6 | 41.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 19 | A | 34.8 | Very low | 37.8 | Very low | 81 Ų | 81 | 152.4 Ų | 152.4 | 67% | 0.669 | 82% | 0.824 | S | S | * | * | trans | -57.4 | 131.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E21 | A19-E21 HydrophobicContact CB-CG 4.2Å; A19-E21 PolarHBondContact O-N 3.18Å | ||
| 20 | N | 35.5 | Very low | 39.1 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -86.3 | 85.2 | 160.6 | -171.5 | 4 | 0 | 0 | 0 | 107.8 | N22 | N20-N22 PolarHBondContact O-N 2.99Š| ||
| 21 | E | 39 | Very low | 40.2 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | trans | -74 | 105.1 | 166.7 | -64.4 | -178.4 | 161.8 | 0 | 0 | 108.2 | A19 | A19-E21 HydrophobicContact CB-CG 4.2Å; A19-E21 PolarHBondContact O-N 3.18Å | ||
| 22 | N | 38.5 | Very low | 40.4 | Very low | 162 Ų | 162 | 151.6 Ų | 151.6 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | 175.6 | 40.4 | 148.3 | -90.5 | -35.4 | 0 | 0 | 0 | 113.6 | N20 A24 | N20-N22 PolarHBondContact O-N 2.99Å; N22-A24 PolarHBondContact O-N 2.87Å | ||
| 23 | A | 45.5 | Very low | 42.1 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -88.2 | 100.3 | 163 | 0 | 0 | 0 | 0 | 0 | 108.8 | K25 | A23-K25 PolarHBondContact O-N 2.87Š| ||
| 24 | A | 46.1 | Very low | 42.5 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -46.2 | 115.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | N22 | N22-A24 PolarHBondContact O-N 2.87Š| ||
| 25 | K | 49.2 | Very low | 43.7 | Very low | 181 Ų | 181 | 145 Ų | 145 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | -58.9 | 132.5 | 173.9 | -104.1 | -178.1 | 175.5 | -170.6 | 0 | 110.5 | A23 | A23-K25 PolarHBondContact O-N 2.87Š| ||
| 26 | P | 47.1 | Very low | 44.2 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -65 | 136.8 | 175.3 | 24.9 | -31.4 | 0 | 0 | 0 | 111.2 | F28 | P26-F28 PolarHBondContact O-N 3.28Š| ||
| 27 | R | 48.8 | Very low | 44.4 | Very low | 244 Ų | 244 | 142.5 Ų | 142.5 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -66.5 | 4.9 | -172 | -78.8 | -168.2 | 178.9 | -111.8 | 2.6 | 116.2 | ||
| 28 | F | 43.5 | Very low | 44.3 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -126.4 | 111.4 | -177.9 | -75.9 | -79.6 | 0 | 0 | 0 | 110.3 | P26 | P26-F28 PolarHBondContact O-N 3.28Š| ||
| 29 | E | 40.8 | Very low | 45 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -124.7 | 112.9 | 171.6 | -164.6 | 171.7 | -156.2 | 0 | 0 | 107.4 | K31 | E29-K31 PolarHBondContact O-N 2.95Å; E29-K31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | I | 58.1 | Low | 45 | Very low | 122 Ų | 122 | 150 Ų | 150 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | trans | -73.6 | 106.3 | 178.5 | -58.4 | 172 | 0 | 0 | 0 | 107.1 | W33 | I30-W33 HydrophobicContact CD1-CZ2 3.92Å; I30-W33 HydrophobicContact CG2-CZ2 4.32Å | ||
| 31 | K | 57.1 | Low | 45.1 | Very low | 198 Ų | 198 | 151.6 Ų | 151.6 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -69 | -38.8 | -171.2 | -78.6 | -172.6 | 172.4 | -177.3 | 0 | 114 | E29 | E29-K31 PolarHBondContact O-N 2.95Å; E29-K31 VanDerWaalsContact O-N 3.15Å | ||
| 32 | H | 37.6 | Very low | 45.3 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | -169.6 | 147.2 | 177.9 | -173.3 | 61.5 | 0 | 0 | 0 | 110.4 | N34 | H32-N34 PolarHBondContact CD2-OD1 3.28Å; H32-N34 PolarHBondContact NE2-OD1 3.19Å | ||
| 33 | W | 64 | Low | 45.8 | Very low | 201 Ų | 201 | 144.8 Ų | 144.8 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -103.8 | 122.7 | 172.1 | -69 | 87.8 | 0 | 0 | 0 | 108.6 | I30 | I30-W33 HydrophobicContact CD1-CZ2 3.92Å; I30-W33 HydrophobicContact CG2-CZ2 4.32Å | ||
| 34 | N | 43.4 | Very low | 46.2 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -96.4 | 108.5 | 167 | -80.1 | -41.9 | 0 | 0 | 0 | 108.6 | H32 V36 | H32-N34 PolarHBondContact CD2-OD1 3.28Å; H32-N34 PolarHBondContact NE2-OD1 3.19Å; N34-V36 PolarHBondContact O-N 3.14Å | ||
| 35 | G | 56.3 | Low | 46.9 | Very low | 83 Ų | 83 | 144 Ų | 144 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -73.4 | 113.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 36 | V | 42.8 | Very low | 48 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | trans | -107.5 | 116.4 | 170 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | N34 M38 | N34-V36 PolarHBondContact O-N 3.14Å; V36-M38 HydrophobicContact CG1-CG 4.35Å | ||
| 37 | A | 33.5 | Very low | 49.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -101.1 | 132.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 38 | M | 34 | Very low | 51.3 | Low | 176 Ų | 176 | 125.1 Ų | 125.1 | 87% | 0.867 | 64% | 0.643 | S | S | * | * | trans | -121.4 | 142.2 | 164.5 | -56.8 | -168.5 | -37.8 | 0 | 0 | 107.5 | V36 | V36-M38 HydrophobicContact CG1-CG 4.35Š| ||
| 39 | W | 48.8 | Very low | 53 | Low | 209 Ų | 209 | 119.1 Ų | 119.1 | 79% | 0.792 | 63% | 0.63 | S | S | * | * | trans | -120.7 | 144.8 | 174.6 | 68.4 | -84.1 | 0 | 0 | 0 | 108.6 | W41 | W39-W41 AromaticContact CZ3-CE2 4Å; W39-W41 HydrophobicContact CZ3-CZ2 4.44Å; W39-W41 AromaticContact CZ3-NE1 3.62Å | ||
| 40 | A | 34.9 | Very low | 55 | Low | 90 Ų | 90 | 114.3 Ų | 114.3 | 74% | 0.744 | 61% | 0.611 | S | S | * | * | trans | -142.8 | 152.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 41 | W | 38.9 | Very low | 56.3 | Low | 191 Ų | 191 | 109.3 Ų | 109.3 | 72% | 0.723 | 59% | 0.586 | S | S | * | * | trans | -65.2 | 145 | 169.5 | -67.9 | 103.5 | 0 | 0 | 0 | 109.5 | W39 I43 | W39-W41 AromaticContact CZ3-CE2 4Å; W39-W41 HydrophobicContact CZ3-CZ2 4.44Å; W39-W41 AromaticContact CZ3-NE1 3.62Å; W41-I43 VanDerWaalsContact C-N 3.27Å; W41-I43 HydrophobicContact CB-CD1 4.14Å; W41-I43 HydrophobicContact CB-CG1 3.97Å; W41-I43 PolarHBondContact O-N 3.41Å | ||
| 42 | D | 43.2 | Very low | 57.5 | Low | 124 Ų | 124 | 106.9 Ų | 106.9 | 66% | 0.663 | 57% | 0.572 | S | S | * | * | trans | -68.3 | 88.4 | 174.1 | -168.3 | 26.2 | 0 | 0 | 0 | 108.7 | ||||
| 43 | I | 48.5 | Very low | 59.5 | Low | 57 Ų | 57 | 101.6 Ų | 101.6 | 29% | 0.292 | 55% | 0.548 | S | S | . | . | trans | -109.5 | 106.9 | -178.7 | -62.2 | 170.3 | 0 | 0 | 0 | 106.2 | W41 V45 W78 | W41-I43 VanDerWaalsContact C-N 3.27Å; W41-I43 HydrophobicContact CB-CD1 4.14Å; W41-I43 HydrophobicContact CB-CG1 3.97Å; W41-I43 PolarHBondContact O-N 3.41Å; I43-V45 WeakPolarHBondContact CG2-O 3.34Å; I43-V45 PolarHBondContact O-N 3.39Å; I43-W78 HydrophobicContact CG1-CH2 4.17Å | ||
| 44 | D | 54.2 | Low | 60.3 | Low | 111 Ų | 111 | 95.6 Ų | 95.6 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -62.4 | -28.1 | 174.5 | -79.8 | -42.1 | 0 | 0 | 0 | 111.7 | ||
| 45 | V | 60.4 | Low | 62 | Low | 73 Ų | 73 | 89.6 Ų | 89.6 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | trans | -151.3 | 118.9 | -178.9 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | I43 N47 | I43-V45 WeakPolarHBondContact CG2-O 3.34Å; I43-V45 PolarHBondContact O-N 3.39Å; V45-N47 HydrophobicContact CG1-CB 4.09Å; V45-N47 WeakPolarHBondContact CG1-O 3.33Å; V45-N47 PolarHBondContact O-N 3.35Å | ||
| 46 | D | 72.1 | Confident | 63 | Low | 83 Ų | 83 | 93.3 Ų | 93.3 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -69.2 | -7.7 | 177.7 | -77.5 | -44.1 | 0 | 0 | 0 | 114.6 | H54 I55 | D46-H54 CarbonylContact O-C 3.42Å; D46-H54 PolarHBondContact O-ND1 3.25Å; D46-I55 WeakPolarHBondContact O-CB 3.14Å; D46-I55 WeakPolarHBondContact O-CG2 3.22Å; D46-I55 PolarHBondContact O-N 2.91Å |
| 47 | N | 81.5 | Confident | 64.7 | Low | 57 Ų | 57 | 92.6 Ų | 92.6 | 31% | 0.305 | 48% | 0.482 | S | S | . | . | B | Isolated β-bridge | trans | -110.6 | 132.1 | -175.1 | -61.8 | -25.8 | 0 | 0 | 0 | 110.7 | V45 A49 N53 | V45-N47 HydrophobicContact CG1-CB 4.09Å; V45-N47 WeakPolarHBondContact CG1-O 3.33Å; V45-N47 PolarHBondContact O-N 3.35Å; N47-A49 PolarHBondContact O-N 2.66Å; N47-A49 VanDerWaalsContact O-N 3.14Å; N47-N53 CarbonylContact C-O 3.6Å; N47-N53 WeakPolarHBondContact CA-O 3.49Å |
| 48 | C | 83.3 | Confident | 66.9 | Low | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 46% | 0.463 | C | S | . | . | trans | -61 | 117.2 | 173.3 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | V50 C51 R52 N53 I55 H86 | C48-V50 PolarHBondContact O-N 3.46Å; C48-C51 VanDerWaalsContact CB-SG 3.55Å; C48-C51 PolarHBondContact O-N 3.24Å; C48-R52 VanDerWaalsContact O-CA 3.22Å; C48-R52 WeakPolarHBondContact O-CA 3.2Å; C48-R52 PolarHBondContact O-N 2.78Å; C48-N53 PolarHBondContact N-O 3Å; C48-I55 HydrophobicContact CB-CD1 4.28Å; C48-H86 VanDerWaalsContact CB-CE1 3.49Å; C48-H86 WeakPolarHBondContact CB-CE1 3.34Å; C48-H86 WeakPolarHBondContact CB-ND1 3.37Å; C48-H86 PolarHBondContact SG-N 3.41Å; C48-H86 VanDerWaalsContact SG-N 3.43Å; C48-H86 PolarHBondContact SG-ND1 3.5Å | ||
| 49 | A | 80.3 | Confident | 69.3 | Low | 67 Ų | 67 | 83.2 Ų | 83.2 | 55% | 0.554 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N47 F85 | N47-A49 PolarHBondContact O-N 2.66Å; N47-A49 VanDerWaalsContact O-N 3.14Å; A49-F85 HydrophobicContact CB-CD1 4.45Å; A49-F85 HydrophobicContact CB-CE1 3.9Å |
| 50 | V | 81.6 | Confident | 70.9 | Confident | 57 Ų | 57 | 77.4 Ų | 77.4 | 35% | 0.345 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -44.7 | 178.5 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | C48 F85 C89 | C48-V50 PolarHBondContact O-N 3.46Å; V50-F85 HydrophobicContact CG2-CD1 3.9Å; V50-F85 HydrophobicContact CG2-CE1 4.24Å; V50-C89 HydrophobicContact CB-CB 3.74Å; V50-C89 HydrophobicContact CG1-CB 3.69Å; V50-C89 HydrophobicContact CG2-CB 4.39Å |
| 51 | C | 85.6 | Confident | 72.9 | Confident | 17 Ų | 17 | 77 Ų | 77 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -13.9 | -177.4 | 74.4 | 0 | 0 | 0 | 0 | 114 | C48 N53 I60 H86 | C48-C51 VanDerWaalsContact CB-SG 3.55Å; C48-C51 PolarHBondContact O-N 3.24Å; C51-N53 PolarHBondContact O-N 2.93Å; C51-N53 PolarHBondContact SG-N 3.02Å; C51-I60 HydrophobicContact CB-CD1 4.03Å; C51-I60 HydrophobicContact CB-CG1 4.06Å; C51-I60 WeakPolarHBondContact O-CD1 3.37Å; C51-H86 PolarHBondContact SG-CE1 3.17Å; C51-H86 PolarHBondContact SG-ND1 2.97Å |
| 52 | R | 82.8 | Confident | 74.9 | Confident | 147 Ų | 147 | 68.6 Ų | 68.6 | 56% | 0.555 | 36% | 0.358 | S | S | * | . | trans | 63.6 | 6.6 | -177.5 | -51.6 | 179.7 | 175.6 | -163.7 | -7.8 | 116 | C48 E255 | C48-R52 VanDerWaalsContact O-CA 3.22Å; C48-R52 WeakPolarHBondContact O-CA 3.2Å; C48-R52 PolarHBondContact O-N 2.78Å; R52-E255 IonicContact NH1-OE2 2.74Å | ||
| 53 | N | 80.2 | Confident | 76.7 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 17% | 0.166 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -77.1 | 161.4 | 167 | -77.3 | 2.1 | 0 | 0 | 0 | 110.5 | N47 C48 C51 L58 Q63 | N47-N53 CarbonylContact C-O 3.6Å; N47-N53 WeakPolarHBondContact CA-O 3.49Å; C48-N53 PolarHBondContact N-O 3Å; C51-N53 PolarHBondContact O-N 2.93Å; C51-N53 PolarHBondContact SG-N 3.02Å; N53-L58 PolarHBondContact ND2-O 3.4Å; N53-Q63 PolarHBondContact ND2-OE1 3.45Å; N53-Q63 VanDerWaalsContact ND2-OE1 3.11Å |
| 54 | H | 81.2 | Confident | 77.9 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 35% | 0.347 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -58.6 | 141.1 | 174.2 | -146.8 | -47.6 | 0 | 0 | 0 | 110 | D46 M56 E57 H86 | D46-H54 CarbonylContact O-C 3.42Å; D46-H54 PolarHBondContact O-ND1 3.25Å; H54-M56 PolarHBondContact O-N 2.88Å; H54-E57 HydrophobicContact CB-CB 4.13Å; H54-E57 HydrophobicContact CB-CG 3.84Å; H54-E57 WeakPolarHBondContact O-CB 3.5Å; H54-E57 PolarHBondContact O-N 2.95Å; H54-H86 PolarHBondContact O-NE2 3.14Å |
| 55 | I | 78.2 | Confident | 78.7 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 6% | 0.056 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -29.6 | -178.2 | -164.5 | 59.7 | 0 | 0 | 0 | 112.9 | D46 C48 E57 V76 A84 H86 | D46-I55 WeakPolarHBondContact O-CB 3.14Å; D46-I55 WeakPolarHBondContact O-CG2 3.22Å; D46-I55 PolarHBondContact O-N 2.91Å; C48-I55 HydrophobicContact CB-CD1 4.28Å; I55-E57 VanDerWaalsContact C-N 3.35Å; I55-V76 HydrophobicContact CD1-CG1 3.85Å; I55-V76 HydrophobicContact CD1-CG2 4.07Å; I55-V76 HydrophobicContact CG1-CB 4.46Å; I55-V76 HydrophobicContact CG1-CG1 3.78Å; I55-V76 HydrophobicContact CG1-CG2 3.81Å; I55-A84 HydrophobicContact CD1-CB 3.83Å; I55-A84 HydrophobicContact CG1-CB 3.83Å; I55-H86 PolarHBondContact O-NE2 3.05Å |
| 56 | M | 78 | Confident | 78.8 | Confident | 161 Ų | 161 | 71.2 Ų | 71.2 | 79% | 0.793 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -16.3 | 177.1 | -62.4 | -61 | -70.3 | 0 | 0 | 113 | H54 | H54-M56 PolarHBondContact O-N 2.88Š|
| 57 | E | 77 | Confident | 78.1 | Confident | 109 Ų | 109 | 70 Ų | 70 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -87.6 | 159.8 | 175.4 | -70.3 | 178.4 | 172.6 | 0 | 0 | 110.7 | H54 I55 H86 | H54-E57 HydrophobicContact CB-CB 4.13Å; H54-E57 HydrophobicContact CB-CG 3.84Å; H54-E57 WeakPolarHBondContact O-CB 3.5Å; H54-E57 PolarHBondContact O-N 2.95Å; I55-E57 VanDerWaalsContact C-N 3.35Å; E57-H86 PolarHBondContact O-NE2 3.47Å |
| 58 | L | 81.3 | Confident | 77 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 41% | 0.408 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 148.7 | 174.6 | -73.2 | 75 | 0 | 0 | 0 | 109.9 | N53 C62 T71 | N53-L58 PolarHBondContact ND2-O 3.4Å; L58-C62 HydrophobicContact CB-CB 4.08Å; L58-C62 HydrophobicContact CD2-CB 4.05Å; L58-T71 HydrophobicContact CD2-CG2 3.9Å |
| 59 | C | 83.2 | Confident | 75.3 | Confident | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 157.5 | 173.8 | 74.5 | 0 | 0 | 0 | 0 | 111.3 | E61 C62 Q63 H86 C89 | C59-E61 PolarHBondContact O-N 3.12Å; C59-E61 VanDerWaalsContact O-N 3.08Å; C59-C62 PolarHBondContact O-N 3.06Å; C59-C62 PolarHBondContact SG-N 3.32Å; C59-C62 VanDerWaalsContact SG-N 3.44Å; C59-Q63 PolarHBondContact O-N 2.94Å; C59-H86 HydrophobicContact CB-CB 3.85Å; C59-C89 VanDerWaalsContact CB-SG 3.56Å |
| 60 | I | 81.9 | Confident | 74 | Confident | 86 Ų | 86 | 85 Ų | 85 | 44% | 0.441 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -52.1 | -36.8 | -179.3 | -67.8 | 175.5 | 0 | 0 | 0 | 112.2 | C51 Q63 A64 | C51-I60 HydrophobicContact CB-CD1 4.03Å; C51-I60 HydrophobicContact CB-CG1 4.06Å; C51-I60 WeakPolarHBondContact O-CD1 3.37Å; I60-Q63 PolarHBondContact O-N 3.49Å; I60-A64 VanDerWaalsContact O-CB 3.27Å; I60-A64 WeakPolarHBondContact O-CB 3.23Å; I60-A64 PolarHBondContact O-N 2.98Å |
| 61 | E | 77.9 | Confident | 73 | Confident | 82 Ų | 82 | 85.3 Ų | 85.3 | 38% | 0.383 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | -179.6 | -62.7 | -176.9 | 160.4 | 0 | 0 | 111.9 | C59 Q63 A64 A65 R92 | C59-E61 PolarHBondContact O-N 3.12Å; C59-E61 VanDerWaalsContact O-N 3.08Å; E61-Q63 VanDerWaalsContact C-N 3.35Å; E61-A64 PolarHBondContact O-N 2.77Å; E61-A65 VanDerWaalsContact O-CB 3.32Å; E61-A65 WeakPolarHBondContact O-CB 3.49Å; E61-A65 PolarHBondContact O-N 3.17Å; E61-R92 WeakPolarHBondContact OE1-CD 3.5Å; E61-R92 IonicContact OE1-CZ 3.54Å; E61-R92 IonicContact OE1-NE 3.72Å; E61-R92 IonicContact OE1-NH1 3.74Å; E61-R92 PolarHBondContact OE1-NH1 3.08Å |
| 62 | C | 81.4 | Confident | 71.9 | Confident | 15 Ų | 15 | 93.1 Ų | 93.1 | 10% | 0.101 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -71 | -32.1 | 175.7 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | L58 C59 H88 | L58-C62 HydrophobicContact CB-CB 4.08Å; L58-C62 HydrophobicContact CD2-CB 4.05Å; C59-C62 PolarHBondContact O-N 3.06Å; C59-C62 PolarHBondContact SG-N 3.32Å; C59-C62 VanDerWaalsContact SG-N 3.44Å; C62-H88 PolarHBondContact SG-ND1 2.68Å; C62-H88 VanDerWaalsContact SG-ND1 3.36Å |
| 63 | Q | 79.3 | Confident | 71.1 | Confident | 123 Ų | 123 | 90.3 Ų | 90.3 | 58% | 0.575 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.2 | -38.4 | 173.5 | -170.3 | 178.2 | 4.1 | 0 | 0 | 111.7 | N53 C59 I60 E61 | N53-Q63 PolarHBondContact ND2-OE1 3.45Å; N53-Q63 VanDerWaalsContact ND2-OE1 3.11Å; C59-Q63 PolarHBondContact O-N 2.94Å; I60-Q63 PolarHBondContact O-N 3.49Å; E61-Q63 VanDerWaalsContact C-N 3.35Å |
| 64 | A | 75.1 | Confident | 70.8 | Confident | 75 Ų | 75 | 89.9 Ų | 89.9 | 62% | 0.62 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -72.8 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I60 E61 Q66 | I60-A64 VanDerWaalsContact O-CB 3.27Å; I60-A64 WeakPolarHBondContact O-CB 3.23Å; I60-A64 PolarHBondContact O-N 2.98Å; E61-A64 PolarHBondContact O-N 2.77Å; A64-Q66 PolarHBondContact O-N 2.96Å |
| 65 | A | 70.7 | Confident | 70.8 | Confident | 51 Ų | 51 | 89.7 Ų | 89.7 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 59.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | E61 G67 T68 | E61-A65 VanDerWaalsContact O-CB 3.32Å; E61-A65 WeakPolarHBondContact O-CB 3.49Å; E61-A65 PolarHBondContact O-N 3.17Å; A65-G67 VanDerWaalsContact C-N 3.3Å; A65-G67 PolarHBondContact O-N 3.21Å; A65-T68 PolarHBondContact O-N 2.86Å |
| 66 | Q | 62.4 | Low | 71 | Confident | 170 Ų | 170 | 91.8 Ų | 91.8 | 79% | 0.794 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -16.4 | 72.8 | 179.1 | -62.9 | 179.8 | -2.5 | 0 | 0 | 116.3 | A64 T68 | A64-Q66 PolarHBondContact O-N 2.96Å; Q66-T68 WeakPolarHBondContact O-CG2 3.46Å; Q66-T68 PolarHBondContact O-N 2.79Å |
| 67 | G | 57.5 | Low | 71.1 | Confident | 57 Ų | 57 | 85.2 Ų | 85.2 | 59% | 0.588 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 7.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | A65 | A65-G67 VanDerWaalsContact C-N 3.3Å; A65-G67 PolarHBondContact O-N 3.21Å |
| 68 | T | 57.2 | Low | 71 | Confident | 116 Ų | 116 | 86.7 Ų | 86.7 | 71% | 0.712 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -23.6 | -163.3 | 42 | 0 | 0 | 0 | 0 | 115.3 | A65 Q66 | A65-T68 PolarHBondContact O-N 2.86Å; Q66-T68 WeakPolarHBondContact O-CG2 3.46Å; Q66-T68 PolarHBondContact O-N 2.79Å |
| 69 | K | 49.4 | Very low | 70.5 | Confident | 186 Ų | 186 | 84.2 Ų | 84.2 | 81% | 0.809 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -148.5 | 118.9 | 172.3 | -70.2 | -172 | 178.7 | 174.5 | 0 | 111.3 | ||
| 70 | K | 52.2 | Low | 69.9 | Low | 138 Ų | 138 | 91.7 Ų | 91.7 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | trans | 58.9 | 57.5 | 166.6 | -55.5 | -165 | 177.8 | -174.1 | 0 | 117.2 | E72 E73 | K70-E72 PolarHBondContact O-N 3.27Å; K70-E73 HydrophobicContact CB-CB 4.36Å; K70-E73 WeakPolarHBondContact CD-OE2 3.33Å; K70-E73 IonicContact NZ-OE2 3.62Å; K70-E73 PolarHBondContact NZ-OE2 3.21Å | ||
| 71 | T | 60 | Low | 69.7 | Low | 64 Ų | 64 | 91.2 Ų | 91.2 | 39% | 0.393 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -62.5 | -24.5 | 161.8 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | L58 E73 C74 | L58-T71 HydrophobicContact CD2-CG2 3.9Å; T71-E73 PolarHBondContact O-N 2.9Å; T71-C74 PolarHBondContact O-N 3.1Å |
| 72 | E | 62.9 | Low | 69.3 | Low | 181 Ų | 181 | 91.5 Ų | 91.5 | 85% | 0.846 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -71.3 | -14.6 | -177.9 | -53 | -175.6 | -156.1 | 0 | 0 | 113.9 | K70 | K70-E72 PolarHBondContact O-N 3.27Š|
| 73 | E | 67 | Low | 69.1 | Low | 88 Ų | 88 | 94.4 Ų | 94.4 | 41% | 0.411 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -98.2 | -3.4 | -178 | -157.4 | 165 | -172.6 | 0 | 0 | 112.6 | K70 T71 T75 | K70-E73 HydrophobicContact CB-CB 4.36Å; K70-E73 WeakPolarHBondContact CD-OE2 3.33Å; K70-E73 IonicContact NZ-OE2 3.62Å; K70-E73 PolarHBondContact NZ-OE2 3.21Å; T71-E73 PolarHBondContact O-N 2.9Å; E73-T75 PolarHBondContact O-N 3.12Å |
| 74 | C | 73.2 | Confident | 69.1 | Low | 21 Ų | 21 | 89 Ų | 89 | 14% | 0.142 | 50% | 0.498 | C | S | . | . | trans | -82.1 | 52.9 | 178.5 | -163.2 | 0 | 0 | 0 | 0 | 112 | T71 | T71-C74 PolarHBondContact O-N 3.1Š| ||
| 75 | T | 81.4 | Confident | 69.7 | Low | 72 Ų | 72 | 87.1 Ų | 87.1 | 44% | 0.442 | 48% | 0.476 | S | S | . | . | trans | -74.5 | 161.8 | 179.3 | 57.6 | 0 | 0 | 0 | 0 | 111.9 | E73 L87 | E73-T75 PolarHBondContact O-N 3.12Å; T75-L87 WeakPolarHBondContact O-CB 3.37Å; T75-L87 PolarHBondContact O-N 3.48Å; T75-L87 WeakPolarHBondContact OG1-CD2 3.48Å | ||
| 76 | V | 81.2 | Confident | 70.4 | Confident | 54 Ų | 54 | 84.8 Ų | 84.8 | 33% | 0.327 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.5 | 174.8 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | I55 A84 F85 | I55-V76 HydrophobicContact CD1-CG1 3.85Å; I55-V76 HydrophobicContact CD1-CG2 4.07Å; I55-V76 HydrophobicContact CG1-CB 4.46Å; I55-V76 HydrophobicContact CG1-CG1 3.78Å; I55-V76 HydrophobicContact CG1-CG2 3.81Å; V76-A84 HydrophobicContact CG1-CB 4.05Å; V76-F85 CarbonylContact C-O 3.57Å; V76-F85 WeakPolarHBondContact CA-O 3.5Å |
| 77 | A | 80.5 | Confident | 71.5 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 20% | 0.198 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | F85 L87 I90 | A77-F85 PolarHBondContact N-O 3.18Å; A77-F85 PolarHBondContact O-N 3Å; A77-L87 HydrophobicContact CB-CB 4.43Å; A77-L87 HydrophobicContact CB-CD1 4.06Å; A77-I90 HydrophobicContact CB-CG2 4.15Å |
| 78 | W | 75.3 | Confident | 72.8 | Confident | 140 Ų | 140 | 78.9 Ų | 78.9 | 53% | 0.53 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.5 | -178.6 | -71 | 88.7 | 0 | 0 | 0 | 111.1 | I43 N82 A84 | I43-W78 HydrophobicContact CG1-CH2 4.17Å; W78-N82 WeakPolarHBondContact CZ3-O 3.24Å; W78-A84 HydrophobicContact CD2-CB 4.26Å; W78-A84 HydrophobicContact CE3-CB 4.13Å; W78-A84 HydrophobicContact CH2-CB 4.08Å; W78-A84 HydrophobicContact CZ2-CB 4.17Å; W78-A84 HydrophobicContact CZ3-CB 4.04Å |
| 79 | G | 71.3 | Confident | 74.2 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | trans | -85.5 | 156.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C81 N82 H83 | G79-C81 PolarHBondContact O-N 2.7Å; G79-C81 VanDerWaalsContact O-N 3.08Å; G79-N82 PolarHBondContact O-N 3.41Å; G79-H83 PolarHBondContact N-O 3.16Å | ||
| 80 | V | 70.5 | Confident | 75.8 | Confident | 157 Ų | 157 | 66.6 Ų | 66.6 | 95% | 0.952 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.3 | 170.5 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | N82 | V80-N82 VanDerWaalsContact C-N 3.32Š|
| 81 | C | 76.8 | Confident | 77.2 | Confident | 77 Ų | 77 | 62.4 Ų | 62.4 | 52% | 0.52 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 19.4 | 174.8 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | G79 H83 | G79-C81 PolarHBondContact O-N 2.7Å; G79-C81 VanDerWaalsContact O-N 3.08Å; C81-H83 PolarHBondContact O-N 3.46Å; C81-H83 PolarHBondContact O-ND1 3.29Å |
| 82 | N | 70.8 | Confident | 78.2 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 47% | 0.465 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 57.7 | 11.7 | -178.5 | -69.8 | -6.2 | 0 | 0 | 0 | 116.7 | W78 G79 V80 | W78-N82 WeakPolarHBondContact CZ3-O 3.24Å; G79-N82 PolarHBondContact O-N 3.41Å; V80-N82 VanDerWaalsContact C-N 3.32Å |
| 83 | H | 77.1 | Confident | 79.1 | Confident | 77 Ų | 77 | 62.5 Ų | 62.5 | 36% | 0.356 | 33% | 0.328 | S | S | . | . | trans | -81.8 | 134.6 | 171.3 | -70.9 | 77.2 | 0 | 0 | 0 | 110.7 | G79 C81 F85 | G79-H83 PolarHBondContact N-O 3.16Å; C81-H83 PolarHBondContact O-N 3.46Å; C81-H83 PolarHBondContact O-ND1 3.29Å; H83-F85 HydrophobicContact CB-CD2 4.47Å; H83-F85 HydrophobicContact CB-CE2 3.52Å; H83-F85 HydrophobicContact CB-CZ 3.63Å | ||
| 84 | A | 79 | Confident | 79.7 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 137.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I55 V76 W78 | I55-A84 HydrophobicContact CD1-CB 3.83Å; I55-A84 HydrophobicContact CG1-CB 3.83Å; V76-A84 HydrophobicContact CG1-CB 4.05Å; W78-A84 HydrophobicContact CD2-CB 4.26Å; W78-A84 HydrophobicContact CE3-CB 4.13Å; W78-A84 HydrophobicContact CH2-CB 4.08Å; W78-A84 HydrophobicContact CZ2-CB 4.17Å; W78-A84 HydrophobicContact CZ3-CB 4.04Å |
| 85 | F | 86.7 | Confident | 80 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 16% | 0.158 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 156.9 | 178.3 | -53.7 | -89.2 | 0 | 0 | 0 | 110.1 | A49 V50 V76 A77 H83 I90 | A49-F85 HydrophobicContact CB-CD1 4.45Å; A49-F85 HydrophobicContact CB-CE1 3.9Å; V50-F85 HydrophobicContact CG2-CD1 3.9Å; V50-F85 HydrophobicContact CG2-CE1 4.24Å; V76-F85 CarbonylContact C-O 3.57Å; V76-F85 WeakPolarHBondContact CA-O 3.5Å; A77-F85 PolarHBondContact N-O 3.18Å; A77-F85 PolarHBondContact O-N 3Å; H83-F85 HydrophobicContact CB-CD2 4.47Å; H83-F85 HydrophobicContact CB-CE2 3.52Å; H83-F85 HydrophobicContact CB-CZ 3.63Å; F85-I90 HydrophobicContact CB-CB 4.16Å |
| 86 | H | 85.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 136.8 | 161.5 | -54.7 | 116.6 | 0 | 0 | 0 | 109.5 | C48 C51 H54 I55 E57 C59 H88 C89 I90 | C48-H86 VanDerWaalsContact CB-CE1 3.49Å; C48-H86 WeakPolarHBondContact CB-CE1 3.34Å; C48-H86 WeakPolarHBondContact CB-ND1 3.37Å; C48-H86 PolarHBondContact SG-N 3.41Å; C48-H86 VanDerWaalsContact SG-N 3.43Å; C48-H86 PolarHBondContact SG-ND1 3.5Å; C51-H86 PolarHBondContact SG-CE1 3.17Å; C51-H86 PolarHBondContact SG-ND1 2.97Å; H54-H86 PolarHBondContact O-NE2 3.14Å; I55-H86 PolarHBondContact O-NE2 3.05Å; E57-H86 PolarHBondContact O-NE2 3.47Å; C59-H86 HydrophobicContact CB-CB 3.85Å; H86-H88 VanDerWaalsContact C-N 3.26Å; H86-H88 PolarHBondContact O-N 3.13Å; H86-C89 HydrophobicContact CB-CB 4.1Å; H86-C89 WeakPolarHBondContact O-CA 3.3Å; H86-C89 WeakPolarHBondContact O-CB 3.36Å; H86-C89 PolarHBondContact O-N 3.45Å; H86-I90 PolarHBondContact O-N 3.44Å; H86-I90 VanDerWaalsContact O-N 3.08Å |
| 87 | L | 85.9 | Confident | 78.3 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 31% | 0.314 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -54.7 | -41.1 | -177.9 | -178.2 | 63.3 | 0 | 0 | 0 | 112.5 | T75 A77 C89 I90 S91 | T75-L87 WeakPolarHBondContact O-CB 3.37Å; T75-L87 PolarHBondContact O-N 3.48Å; T75-L87 WeakPolarHBondContact OG1-CD2 3.48Å; A77-L87 HydrophobicContact CB-CB 4.43Å; A77-L87 HydrophobicContact CB-CD1 4.06Å; L87-C89 VanDerWaalsContact C-N 3.35Å; L87-C89 PolarHBondContact O-N 3.41Å; L87-I90 VanDerWaalsContact O-CG2 3.26Å; L87-I90 WeakPolarHBondContact O-CG2 3.5Å; L87-S91 VanDerWaalsContact O-CB 3.28Å; L87-S91 WeakPolarHBondContact O-CB 3.25Å; L87-S91 PolarHBondContact O-N 2.81Å; L87-S91 PolarHBondContact O-OG 3.09Å |
| 88 | H | 85.1 | Confident | 76.9 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 176.1 | -64 | 152.6 | 0 | 0 | 0 | 112.6 | C62 H86 S91 R92 | C62-H88 PolarHBondContact SG-ND1 2.68Å; C62-H88 VanDerWaalsContact SG-ND1 3.36Å; H86-H88 VanDerWaalsContact C-N 3.26Å; H86-H88 PolarHBondContact O-N 3.13Å; H88-S91 PolarHBondContact O-N 3.29Å; H88-R92 WeakPolarHBondContact O-CB 3.44Å; H88-R92 PolarHBondContact O-N 3.19Å |
| 89 | C | 85.3 | Confident | 75.3 | Confident | 9 Ų | 9 | 79.8 Ų | 79.8 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.3 | -45.1 | -178.4 | -68 | 0 | 0 | 0 | 0 | 112 | V50 C59 H86 L87 W93 | V50-C89 HydrophobicContact CB-CB 3.74Å; V50-C89 HydrophobicContact CG1-CB 3.69Å; V50-C89 HydrophobicContact CG2-CB 4.39Å; C59-C89 VanDerWaalsContact CB-SG 3.56Å; H86-C89 HydrophobicContact CB-CB 4.1Å; H86-C89 WeakPolarHBondContact O-CA 3.3Å; H86-C89 WeakPolarHBondContact O-CB 3.36Å; H86-C89 PolarHBondContact O-N 3.45Å; L87-C89 VanDerWaalsContact C-N 3.35Å; L87-C89 PolarHBondContact O-N 3.41Å; C89-W93 VanDerWaalsContact O-CB 3.29Å; C89-W93 WeakPolarHBondContact O-CB 3.45Å; C89-W93 PolarHBondContact O-N 3.44Å; C89-W93 VanDerWaalsContact O-N 3.11Å |
| 90 | I | 83.8 | Confident | 73.7 | Confident | 35 Ų | 35 | 82 Ų | 82 | 18% | 0.179 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.2 | -38.6 | 176.9 | -170.8 | 62 | 0 | 0 | 0 | 111.5 | A77 F85 H86 L87 R92 W93 L94 | A77-I90 HydrophobicContact CB-CG2 4.15Å; F85-I90 HydrophobicContact CB-CB 4.16Å; H86-I90 PolarHBondContact O-N 3.44Å; H86-I90 VanDerWaalsContact O-N 3.08Å; L87-I90 VanDerWaalsContact O-CG2 3.26Å; L87-I90 WeakPolarHBondContact O-CG2 3.5Å; I90-R92 PolarHBondContact O-N 3.04Å; I90-W93 HydrophobicContact CD1-CE3 4.1Å; I90-W93 HydrophobicContact CD1-CZ3 4.45Å; I90-W93 PolarHBondContact O-N 3.09Å; I90-L94 HydrophobicContact CG1-CD1 4.28Å; I90-L94 HydrophobicContact CG1-CG 4.48Å; I90-L94 WeakPolarHBondContact O-CG 3.38Å; I90-L94 PolarHBondContact O-N 3Å |
| 91 | S | 81.9 | Confident | 72.1 | Confident | 50 Ų | 50 | 79.8 Ų | 79.8 | 35% | 0.35 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 178.7 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | L87 H88 L94 N95 | L87-S91 VanDerWaalsContact O-CB 3.28Å; L87-S91 WeakPolarHBondContact O-CB 3.25Å; L87-S91 PolarHBondContact O-N 2.81Å; L87-S91 PolarHBondContact O-OG 3.09Å; H88-S91 PolarHBondContact O-N 3.29Å; S91-L94 PolarHBondContact O-N 2.92Å; S91-N95 PolarHBondContact O-N 3.37Å |
| 92 | R | 80 | Confident | 69.9 | Low | 154 Ų | 154 | 83.2 Ų | 83.2 | 58% | 0.581 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.5 | -38.4 | 177.2 | -173.5 | 175.3 | -176.7 | 130.6 | 7.6 | 112.4 | E61 H88 I90 N95 T96 | E61-R92 WeakPolarHBondContact OE1-CD 3.5Å; E61-R92 IonicContact OE1-CZ 3.54Å; E61-R92 IonicContact OE1-NE 3.72Å; E61-R92 IonicContact OE1-NH1 3.74Å; E61-R92 PolarHBondContact OE1-NH1 3.08Å; H88-R92 WeakPolarHBondContact O-CB 3.44Å; H88-R92 PolarHBondContact O-N 3.19Å; I90-R92 PolarHBondContact O-N 3.04Å; R92-N95 PolarHBondContact O-N 3.02Å; R92-T96 PolarHBondContact O-N 2.92Å; R92-T96 PolarHBondContact O-OG1 3.41Å |
| 93 | W | 82.2 | Confident | 67.9 | Low | 93 Ų | 93 | 88.2 Ų | 88.2 | 35% | 0.352 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 178.3 | -177.1 | 98.5 | 0 | 0 | 0 | 112.1 | C89 I90 N95 T96 R97 | C89-W93 VanDerWaalsContact O-CB 3.29Å; C89-W93 WeakPolarHBondContact O-CB 3.45Å; C89-W93 PolarHBondContact O-N 3.44Å; C89-W93 VanDerWaalsContact O-N 3.11Å; I90-W93 HydrophobicContact CD1-CE3 4.1Å; I90-W93 HydrophobicContact CD1-CZ3 4.45Å; I90-W93 PolarHBondContact O-N 3.09Å; W93-N95 VanDerWaalsContact C-N 3.32Å; W93-N95 PolarHBondContact O-N 2.96Å; W93-T96 PolarHBondContact O-N 2.97Å; W93-T96 VanDerWaalsContact O-N 3.12Å; W93-R97 HydrophobicContact CD2-CG 4.39Å; W93-R97 PolarHBondContact O-N 2.81Å |
| 94 | L | 79.9 | Confident | 65.5 | Low | 82 Ų | 82 | 93.7 Ų | 93.7 | 43% | 0.429 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 174.9 | -73.8 | 170 | 0 | 0 | 0 | 111 | I90 S91 T96 R97 H98 | I90-L94 HydrophobicContact CG1-CD1 4.28Å; I90-L94 HydrophobicContact CG1-CG 4.48Å; I90-L94 WeakPolarHBondContact O-CG 3.38Å; I90-L94 PolarHBondContact O-N 3Å; S91-L94 PolarHBondContact O-N 2.92Å; L94-T96 PolarHBondContact O-N 3.22Å; L94-R97 PolarHBondContact O-N 3.17Å; L94-H98 PolarHBondContact O-CD2 2.8Å; L94-H98 PolarHBondContact O-N 3.49Å |
| 95 | N | 78.7 | Confident | 62.8 | Low | 113 Ų | 113 | 99.6 Ų | 99.6 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -31.7 | 176.9 | -72.7 | -15.6 | 0 | 0 | 0 | 113.6 | S91 R92 W93 F99 | S91-N95 PolarHBondContact O-N 3.37Å; R92-N95 PolarHBondContact O-N 3.02Å; W93-N95 VanDerWaalsContact C-N 3.32Å; W93-N95 PolarHBondContact O-N 2.96Å; N95-F99 WeakPolarHBondContact O-CD2 2.94Å |
| 96 | T | 70.1 | Confident | 60 | Low | 91 Ų | 91 | 106.8 Ų | 106.8 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -78.8 | -28.8 | -178.7 | -46.8 | 0 | 0 | 0 | 0 | 111.8 | R92 W93 L94 | R92-T96 PolarHBondContact O-N 2.92Å; R92-T96 PolarHBondContact O-OG1 3.41Å; W93-T96 PolarHBondContact O-N 2.97Å; W93-T96 VanDerWaalsContact O-N 3.12Å; L94-T96 PolarHBondContact O-N 3.22Å |
| 97 | R | 57.8 | Low | 57 | Low | 145 Ų | 145 | 111.4 Ų | 111.4 | 55% | 0.547 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -88.2 | -21.2 | -175.2 | -69.7 | -164.8 | 173.3 | -167 | 1.7 | 115.2 | W93 L94 F99 A100 | W93-R97 HydrophobicContact CD2-CG 4.39Å; W93-R97 PolarHBondContact O-N 2.81Å; L94-R97 PolarHBondContact O-N 3.17Å; R97-F99 PolarHBondContact O-N 3.42Å; R97-F99 VanDerWaalsContact O-N 3.13Å; R97-A100 PolarHBondContact O-N 3.19Å |
| 98 | H | 51.3 | Low | 54.1 | Low | 147 Ų | 147 | 112.6 Ų | 112.6 | 68% | 0.681 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -25.4 | 171.3 | -81.9 | -75 | 0 | 0 | 0 | 112.5 | L94 | L94-H98 PolarHBondContact O-CD2 2.8Å; L94-H98 PolarHBondContact O-N 3.49Å |
| 99 | F | 41.9 | Very low | 51 | Low | 183 Ų | 183 | 113.7 Ų | 113.7 | 80% | 0.803 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -15.8 | 176.7 | -64.5 | -77.5 | 0 | 0 | 0 | 114.7 | N95 R97 | N95-F99 WeakPolarHBondContact O-CD2 2.94Å; R97-F99 PolarHBondContact O-N 3.42Å; R97-F99 VanDerWaalsContact O-N 3.13Å |
| 100 | A | 37.7 | Very low | 48.2 | Very low | 72 Ų | 72 | 121.1 Ų | 121.1 | 60% | 0.595 | 66% | 0.662 | S | S | * | * | trans | -98.3 | 7.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R97 N102 | R97-A100 PolarHBondContact O-N 3.19Å; A100-N102 PolarHBondContact O-N 3.25Å; A100-N102 VanDerWaalsContact O-N 3.16Å | ||
| 101 | S | 35.7 | Very low | 45.3 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -71 | -0.8 | 176.2 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 102 | N | 30.5 | Very low | 42.6 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -125.6 | 55.3 | -174.3 | -149.9 | 41.6 | 0 | 0 | 0 | 113.3 | A100 | A100-N102 PolarHBondContact O-N 3.25Å; A100-N102 VanDerWaalsContact O-N 3.16Å |
| 103 | E | 29.4 | Very low | 39.9 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | -163 | 105.3 | 151.9 | -121 | 171.3 | 163.1 | 0 | 0 | 110.1 | ||||
| 104 | K | 26.2 | Very low | 37 | Very low | 192 Ų | 192 | 129.6 Ų | 129.6 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | trans | -122.1 | 155.5 | 168.3 | -88.5 | -176.3 | 178 | 178.1 | 0 | 107.3 | ||||
| 105 | T | 23.5 | Very low | 34.5 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | 81.8 | 127.6 | 175.8 | 71.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 106 | E | 26.7 | Very low | 31.9 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | cis | -160.9 | 171.3 | 45.5 | -66.3 | 169.9 | 159.3 | 0 | 0 | 107.8 | ||||
| 107 | A | 23.6 | Very low | 30 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | cis | 177 | 150.7 | -26 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 108 | G | 23.8 | Very low | 28.3 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | 93.2 | 129.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 109 | G | 20.7 | Very low | 27.2 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | cis | 124.6 | 152 | 13 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 110 | I | 27.2 | Very low | 26.4 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | 86.3 | 138 | 162.8 | -47.9 | 167.2 | 0 | 0 | 0 | 115.1 | ||||
| 111 | T | 22.8 | Very low | 25.9 | Very low | 102 Ų | 102 | 138 Ų | 138 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | cis | -179.9 | 150.9 | -42.5 | 26.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 112 | E | 24.3 | Very low | 25.7 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 64.7 | 150.9 | 147.5 | -68.2 | 175.7 | -161.9 | 0 | 0 | 118.6 | ||||
| 113 | E | 23.5 | Very low | 25.7 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | -168.8 | 147.8 | 2.9 | -121.1 | 177 | -170.2 | 0 | 0 | 109.5 | ||||
| 114 | S | 22.5 | Very low | 26.3 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | 74.9 | 139 | 132.7 | 79.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 115 | S | 27.4 | Very low | 26.9 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | 85.8 | 144 | 147.7 | 79.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 116 | S | 23.1 | Very low | 28 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | 176.4 | 167.2 | -16.6 | 176.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 117 | S | 29.9 | Very low | 28.7 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 83.8 | 110.6 | 176 | 71.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 118 | T | 22 | Very low | 29.7 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | cis | 76.8 | 116.8 | 38.8 | -37.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 119 | E | 29.5 | Very low | 31 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | 147 | 95.3 | 149.3 | -83.4 | -179.2 | -179 | 0 | 0 | 109.3 | ||||
| 120 | E | 24.8 | Very low | 32.5 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | 60.4 | 104.9 | 87.9 | -71.2 | -158.4 | 179.2 | 0 | 0 | 116.7 | |||||
| 121 | K | 27.9 | Very low | 33.6 | Very low | 206 Ų | 206 | 144.9 Ų | 144.9 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | 161.5 | 136 | 119.2 | -89.4 | 170 | -177.1 | 171.8 | 0 | 112.8 | |||||
| 122 | G | 29.8 | Very low | 35.1 | Very low | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 114.8 | 44.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 123 | T | 30.7 | Very low | 36.8 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | 5.1 | 117.9 | 143.9 | 51 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 124 | K | 41.6 | Very low | 39 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | -150.2 | 118.6 | 126.7 | -115.1 | 178.9 | -175.8 | 178.5 | 0 | 109 | R126 | K124-R126 PolarHBondContact O-N 2.71Š| |||
| 125 | P | 40.4 | Very low | 41.1 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -69.9 | 114.5 | -174 | 26.5 | -32.1 | 0 | 0 | 0 | 110.6 | F127 | P125-F127 PolarHBondContact O-N 3Å; P125-F127 VanDerWaalsContact O-N 3.1Å | ||
| 126 | R | 46.3 | Very low | 42.1 | Very low | 245 Ų | 245 | 144.6 Ų | 144.6 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -85.7 | 51.8 | 176.2 | -158 | -174.6 | -172.9 | -175.4 | 4.1 | 110.8 | K124 | K124-R126 PolarHBondContact O-N 2.71Š| ||
| 127 | F | 41 | Very low | 43.1 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -104.7 | 104.9 | 178.9 | -173 | -106.3 | 0 | 0 | 0 | 109.5 | P125 I129 | P125-F127 PolarHBondContact O-N 3Å; P125-F127 VanDerWaalsContact O-N 3.1Å; F127-I129 HydrophobicContact CD1-CG1 3.98Å; F127-I129 HydrophobicContact CE1-CD1 3.7Å; F127-I129 HydrophobicContact CE1-CG1 3.21Å; F127-I129 HydrophobicContact CZ-CD1 4.34Å; F127-I129 HydrophobicContact CZ-CG1 3.67Å | ||
| 128 | E | 44.4 | Very low | 44.4 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -112.1 | 110.5 | 170.2 | -73.7 | 180 | 179.8 | 0 | 0 | 108.7 | K130 | E128-K130 PolarHBondContact O-N 3.13Å; E128-K130 VanDerWaalsContact O-N 3.1Å | ||
| 129 | I | 50.7 | Low | 45.5 | Very low | 112 Ų | 112 | 151.7 Ų | 151.7 | 57% | 0.574 | 78% | 0.78 | S | S | * | * | trans | -69.7 | 104.3 | 170.4 | -56.8 | 174.1 | 0 | 0 | 0 | 107.2 | F127 L132 | F127-I129 HydrophobicContact CD1-CG1 3.98Å; F127-I129 HydrophobicContact CE1-CD1 3.7Å; F127-I129 HydrophobicContact CE1-CG1 3.21Å; F127-I129 HydrophobicContact CZ-CD1 4.34Å; F127-I129 HydrophobicContact CZ-CG1 3.67Å; I129-L132 HydrophobicContact CG2-CB 4.35Å | ||
| 130 | K | 53.6 | Low | 46.6 | Very low | 164 Ų | 164 | 152 Ų | 152 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -75 | -38.9 | -179.6 | -73.3 | -173.8 | 175.7 | -179.4 | 0 | 112.7 | E128 | E128-K130 PolarHBondContact O-N 3.13Å; E128-K130 VanDerWaalsContact O-N 3.1Å | ||
| 131 | K | 49.7 | Very low | 47.7 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 67% | 0.665 | 76% | 0.762 | S | S | * | * | trans | -150.6 | 130.2 | 179.3 | -61.2 | -170.7 | -175.6 | 176.3 | 0 | 110.2 | Y133 | K131-Y133 HydrophobicContact CB-CD2 4.27Å; K131-Y133 HydrophobicContact CB-CE2 3.64Å; K131-Y133 HydrophobicContact CD-CE2 4.03Å; K131-Y133 VanDerWaalsContact CD-OH 3.26Å; K131-Y133 WeakPolarHBondContact CD-OH 2.99Å; K131-Y133 HydrophobicContact CG-CE2 4.46Å | ||
| 132 | L | 53.4 | Low | 48.9 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | -112 | 120.5 | 172.5 | -177.6 | 73.9 | 0 | 0 | 0 | 107 | I129 | I129-L132 HydrophobicContact CG2-CB 4.35Š| ||
| 133 | Y | 61 | Low | 50.4 | Low | 168 Ų | 168 | 141.6 Ų | 141.6 | 66% | 0.659 | 72% | 0.721 | S | S | * | * | trans | -109.9 | 114.9 | 174.6 | -66.3 | -81.4 | 0 | 0 | 0 | 108.4 | K131 V135 | K131-Y133 HydrophobicContact CB-CD2 4.27Å; K131-Y133 HydrophobicContact CB-CE2 3.64Å; K131-Y133 HydrophobicContact CD-CE2 4.03Å; K131-Y133 VanDerWaalsContact CD-OH 3.26Å; K131-Y133 WeakPolarHBondContact CD-OH 2.99Å; K131-Y133 HydrophobicContact CG-CE2 4.46Å; Y133-V135 PolarHBondContact O-N 2.87Å | ||
| 134 | G | 70.1 | Confident | 52 | Low | 84 Ų | 84 | 138.8 Ų | 138.8 | 87% | 0.866 | 70% | 0.704 | S | S | * | * | trans | -80.6 | 107.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 135 | V | 65.1 | Low | 53.6 | Low | 127 Ų | 127 | 133.6 Ų | 133.6 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | trans | -104.1 | 126.9 | 172.1 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | Y133 | Y133-V135 PolarHBondContact O-N 2.87Š| ||
| 136 | A | 48.5 | Very low | 55.7 | Low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | trans | -109.7 | 130.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 137 | M | 44.2 | Very low | 57.5 | Low | 185 Ų | 185 | 119.8 Ų | 119.8 | 91% | 0.911 | 62% | 0.624 | S | S | * | * | trans | -98.1 | 138.9 | 169.3 | -64.5 | -173.1 | -66 | 0 | 0 | 108.9 | ||||
| 138 | W | 57.3 | Low | 59.5 | Low | 209 Ų | 209 | 115.1 Ų | 115.1 | 79% | 0.792 | 62% | 0.615 | S | S | * | * | trans | -126.6 | 140.7 | 172.1 | 70.8 | -84.6 | 0 | 0 | 0 | 109.1 | W140 | W138-W140 AromaticContact CZ3-NE1 3.79Š| ||
| 139 | A | 45.3 | Very low | 61.4 | Low | 92 Ų | 92 | 110.2 Ų | 110.2 | 76% | 0.76 | 60% | 0.596 | S | S | * | * | trans | -148.3 | 153 | 174 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 140 | W | 52.7 | Low | 63.2 | Low | 189 Ų | 189 | 105.8 Ų | 105.8 | 72% | 0.716 | 58% | 0.575 | S | S | * | * | trans | -69.2 | 133.8 | 170.8 | -63.9 | 104.1 | 0 | 0 | 0 | 109.3 | W138 I142 | W138-W140 AromaticContact CZ3-NE1 3.79Å; W140-I142 VanDerWaalsContact C-N 3.25Å; W140-I142 HydrophobicContact CB-CD1 4.17Å; W140-I142 HydrophobicContact CB-CG1 3.75Å; W140-I142 PolarHBondContact O-N 3.31Å | ||
| 141 | D | 48.4 | Very low | 64.8 | Low | 103 Ų | 103 | 107.9 Ų | 107.9 | 55% | 0.551 | 58% | 0.578 | S | S | * | * | trans | -76.1 | 78.7 | 173.5 | -172.2 | 14.1 | 0 | 0 | 0 | 108.6 | K229 | D141-K229 IonicContact OD2-NZ 3.86Š| ||
| 142 | I | 53.7 | Low | 66.4 | Low | 53 Ų | 53 | 102.3 Ų | 102.3 | 27% | 0.272 | 56% | 0.556 | S | S | . | * | trans | -91.7 | 115.8 | 179.3 | -45.3 | -178.3 | 0 | 0 | 0 | 108 | W140 V144 I154 W177 | W140-I142 VanDerWaalsContact C-N 3.25Å; W140-I142 HydrophobicContact CB-CD1 4.17Å; W140-I142 HydrophobicContact CB-CG1 3.75Å; W140-I142 PolarHBondContact O-N 3.31Å; I142-V144 VanDerWaalsContact C-N 3.26Å; I142-V144 WeakPolarHBondContact CG2-O 3.32Å; I142-V144 PolarHBondContact O-N 3.1Å; I142-I154 HydrophobicContact CD1-CG2 4.41Å; I142-W177 HydrophobicContact CB-CH2 4.43Å; I142-W177 HydrophobicContact CG1-CH2 4.04Å; I142-W177 HydrophobicContact CG1-CZ2 4.43Å; I142-W177 HydrophobicContact CG2-CH2 4.36Å | ||
| 143 | S | 61.2 | Low | 67.9 | Low | 71 Ų | 71 | 98.5 Ų | 98.5 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -69.5 | -26.5 | 178.8 | -36.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 144 | V | 64 | Low | 68.9 | Low | 78 Ų | 78 | 90.9 Ų | 90.9 | 47% | 0.473 | 50% | 0.504 | S | S | . | . | trans | -154.5 | 124.9 | 178.5 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | I142 N146 | I142-V144 VanDerWaalsContact C-N 3.26Å; I142-V144 WeakPolarHBondContact CG2-O 3.32Å; I142-V144 PolarHBondContact O-N 3.1Å; V144-N146 HydrophobicContact CG1-CB 4.15Å; V144-N146 PolarHBondContact O-N 2.86Å | ||
| 145 | D | 74.7 | Confident | 69.5 | Low | 89 Ų | 89 | 94.3 Ų | 94.3 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -67.9 | -2.6 | -179 | -64.1 | -41.8 | 0 | 0 | 0 | 114.4 | H153 I154 | D145-H153 CarbonylContact O-C 3.58Å; D145-H153 WeakPolarHBondContact O-CA 3.43Å; D145-H153 PolarHBondContact O-CD2 2.91Å; D145-I154 WeakPolarHBondContact O-CB 3.43Å; D145-I154 PolarHBondContact O-N 3.46Å |
| 146 | N | 83.7 | Confident | 70.3 | Confident | 74 Ų | 74 | 93.6 Ų | 93.6 | 40% | 0.396 | 49% | 0.488 | S | S | . | . | B | Isolated β-bridge | trans | -114.6 | 137.2 | -174 | -59.7 | -26.9 | 0 | 0 | 0 | 110.8 | V144 A148 N152 | V144-N146 HydrophobicContact CG1-CB 4.15Å; V144-N146 PolarHBondContact O-N 2.86Å; N146-A148 PolarHBondContact O-N 3.41Å; N146-N152 CarbonylContact C-O 3.58Å; N146-N152 VanDerWaalsContact CA-O 3.29Å; N146-N152 WeakPolarHBondContact CA-O 3.27Å |
| 147 | C | 85.5 | Confident | 71.9 | Confident | 0 Ų | 0 | 93.3 Ų | 93.3 | 0% | 0 | 47% | 0.473 | C | S | . | . | trans | -60.7 | 120.1 | 172 | 172 | 0 | 0 | 0 | 0 | 109.6 | V149 C150 R151 N152 I154 H185 | C147-V149 PolarHBondContact O-N 3.13Å; C147-C150 WeakPolarHBondContact CB-SG 3.45Å; C147-C150 PolarHBondContact O-N 3.36Å; C147-R151 VanDerWaalsContact O-CA 3.23Å; C147-R151 WeakPolarHBondContact O-CA 3.16Å; C147-R151 PolarHBondContact O-N 3.17Å; C147-N152 PolarHBondContact N-O 3.39Å; C147-I154 HydrophobicContact CB-CD1 4.26Å; C147-H185 VanDerWaalsContact CB-ND1 3.34Å; C147-H185 WeakPolarHBondContact CB-ND1 3.45Å; C147-H185 PolarHBondContact SG-ND1 3.44Å; C147-H185 VanDerWaalsContact SG-ND1 3.39Å | ||
| 148 | A | 82.9 | Confident | 74 | Confident | 64 Ų | 64 | 84.5 Ų | 84.5 | 53% | 0.529 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N146 F184 | N146-A148 PolarHBondContact O-N 3.41Å; A148-F184 HydrophobicContact CB-CD1 4.33Å; A148-F184 HydrophobicContact CB-CE1 3.75Å |
| 149 | V | 84.5 | Confident | 75.3 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -49.1 | 177.1 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | C147 F184 C188 | C147-V149 PolarHBondContact O-N 3.13Å; V149-F184 HydrophobicContact CG2-CD1 3.78Å; V149-F184 HydrophobicContact CG2-CE1 4.08Å; V149-C188 HydrophobicContact CB-CB 3.83Å; V149-C188 HydrophobicContact CG1-CB 3.8Å; V149-C188 HydrophobicContact CG2-CB 4.43Å |
| 150 | C | 88.5 | Confident | 77.1 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -12 | -175.3 | 71.9 | 0 | 0 | 0 | 0 | 114.6 | C147 N152 I159 H185 | C147-C150 WeakPolarHBondContact CB-SG 3.45Å; C147-C150 PolarHBondContact O-N 3.36Å; C150-N152 PolarHBondContact O-N 3.41Å; C150-N152 VanDerWaalsContact O-N 3.16Å; C150-I159 HydrophobicContact CB-CB 4.25Å; C150-I159 HydrophobicContact CB-CG2 3.98Å; C150-H185 VanDerWaalsContact SG-CE1 3.52Å; C150-H185 PolarHBondContact SG-ND1 2.96Å |
| 151 | R | 86 | Confident | 78.6 | Confident | 209 Ų | 209 | 69.3 Ų | 69.3 | 79% | 0.789 | 36% | 0.363 | S | S | * | . | trans | 64.2 | -0.4 | -176 | -56.9 | -175.5 | 169.1 | 107.1 | -1.9 | 116.5 | C147 | C147-R151 VanDerWaalsContact O-CA 3.23Å; C147-R151 WeakPolarHBondContact O-CA 3.16Å; C147-R151 PolarHBondContact O-N 3.17Å | ||
| 152 | N | 83.6 | Confident | 80.3 | Confident | 35 Ų | 35 | 70.2 Ų | 70.2 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -70 | 158.7 | 169 | -70.5 | 4.4 | 0 | 0 | 0 | 110.8 | N146 C147 C150 L157 Q162 | N146-N152 CarbonylContact C-O 3.58Å; N146-N152 VanDerWaalsContact CA-O 3.29Å; N146-N152 WeakPolarHBondContact CA-O 3.27Å; C147-N152 PolarHBondContact N-O 3.39Å; C150-N152 PolarHBondContact O-N 3.41Å; C150-N152 VanDerWaalsContact O-N 3.16Å; N152-L157 PolarHBondContact ND2-O 3.15Å; N152-L157 VanDerWaalsContact ND2-O 3.15Å; N152-Q162 PolarHBondContact ND2-OE1 3.11Å; N152-Q162 VanDerWaalsContact ND2-OE1 3.07Å |
| 153 | H | 85 | Confident | 81.4 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 31% | 0.306 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -61.2 | 145.1 | 175 | -172.9 | -93.2 | 0 | 0 | 0 | 110.7 | D145 M155 E156 H185 | D145-H153 CarbonylContact O-C 3.58Å; D145-H153 WeakPolarHBondContact O-CA 3.43Å; D145-H153 PolarHBondContact O-CD2 2.91Å; H153-M155 VanDerWaalsContact C-N 3.26Å; H153-M155 WeakPolarHBondContact ND1-CB 3.18Å; H153-M155 PolarHBondContact ND1-N 3.03Å; H153-M155 PolarHBondContact O-N 3.16Å; H153-E156 HydrophobicContact CB-CB 4.17Å; H153-E156 HydrophobicContact CB-CG 3.84Å; H153-E156 PolarHBondContact N-OE2 3.34Å; H153-E156 WeakPolarHBondContact O-CB 3.24Å; H153-E156 PolarHBondContact O-N 2.72Å; H153-H185 PolarHBondContact O-NE2 3.07Å |
| 154 | I | 82.1 | Confident | 82.1 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -29.1 | -171.8 | -164.1 | 60.5 | 0 | 0 | 0 | 112.8 | I142 D145 C147 V175 A183 H185 | I142-I154 HydrophobicContact CD1-CG2 4.41Å; D145-I154 WeakPolarHBondContact O-CB 3.43Å; D145-I154 PolarHBondContact O-N 3.46Å; C147-I154 HydrophobicContact CB-CD1 4.26Å; I154-V175 HydrophobicContact CD1-CG1 3.91Å; I154-V175 HydrophobicContact CD1-CG2 4.17Å; I154-V175 HydrophobicContact CG1-CB 4.45Å; I154-V175 HydrophobicContact CG1-CG1 3.76Å; I154-V175 HydrophobicContact CG1-CG2 3.8Å; I154-A183 HydrophobicContact CD1-CB 3.75Å; I154-A183 HydrophobicContact CG1-CB 3.79Å; I154-H185 PolarHBondContact O-NE2 3.14Å |
| 155 | M | 82.5 | Confident | 82.3 | Confident | 157 Ų | 157 | 74.4 Ų | 74.4 | 77% | 0.773 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -13.5 | 173.8 | -60.7 | -68.3 | -67.3 | 0 | 0 | 113.1 | H153 | H153-M155 VanDerWaalsContact C-N 3.26Å; H153-M155 WeakPolarHBondContact ND1-CB 3.18Å; H153-M155 PolarHBondContact ND1-N 3.03Å; H153-M155 PolarHBondContact O-N 3.16Å |
| 156 | E | 81.4 | Confident | 81.5 | Confident | 112 Ų | 112 | 72 Ų | 72 | 52% | 0.523 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -84.5 | 160.7 | 173.5 | -70.4 | 176.3 | 168.9 | 0 | 0 | 110.4 | H153 H185 | H153-E156 HydrophobicContact CB-CB 4.17Å; H153-E156 HydrophobicContact CB-CG 3.84Å; H153-E156 PolarHBondContact N-OE2 3.34Å; H153-E156 WeakPolarHBondContact O-CB 3.24Å; H153-E156 PolarHBondContact O-N 2.72Å; E156-H185 PolarHBondContact O-NE2 3.08Å |
| 157 | L | 83.3 | Confident | 80.4 | Confident | 87 Ų | 87 | 74.4 Ų | 74.4 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -65 | 145.3 | 174.9 | -68.7 | 85.4 | 0 | 0 | 0 | 110.1 | N152 C161 N170 | N152-L157 PolarHBondContact ND2-O 3.15Å; N152-L157 VanDerWaalsContact ND2-O 3.15Å; L157-C161 HydrophobicContact CB-CB 4.06Å; L157-C161 HydrophobicContact CD2-CB 3.92Å; L157-N170 HydrophobicContact CD2-CB 4.45Å |
| 158 | C | 87.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 160.1 | 173 | 79.4 | 0 | 0 | 0 | 0 | 111.7 | E160 C161 Q162 C173 H185 | C158-E160 PolarHBondContact O-N 3.42Å; C158-E160 VanDerWaalsContact O-N 3.07Å; C158-C161 PolarHBondContact O-N 3.5Å; C158-C161 VanDerWaalsContact O-N 3.09Å; C158-C161 PolarHBondContact SG-N 3.19Å; C158-C161 VanDerWaalsContact SG-SG 3.6Å; C158-Q162 WeakPolarHBondContact O-CB 3.17Å; C158-Q162 PolarHBondContact O-N 2.88Å; C158-C173 PolarHBondContact SG-SG 3.11Å; C158-H185 HydrophobicContact CB-CB 3.65Å; C158-H185 VanDerWaalsContact CB-CG 3.5Å; C158-H185 WeakPolarHBondContact CB-ND1 3.08Å |
| 159 | I | 85.7 | Confident | 78 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 49% | 0.492 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -55.1 | -30.9 | -178.3 | -165.3 | 165.6 | 0 | 0 | 0 | 113.7 | C150 A163 | C150-I159 HydrophobicContact CB-CB 4.25Å; C150-I159 HydrophobicContact CB-CG2 3.98Å; I159-A163 VanDerWaalsContact O-CB 3.27Å; I159-A163 WeakPolarHBondContact O-CB 3.15Å; I159-A163 PolarHBondContact O-N 3.23Å |
| 160 | E | 81.8 | Confident | 76.9 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 30% | 0.304 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.7 | -43 | 179.2 | -60.9 | -175.1 | 150.9 | 0 | 0 | 112 | C158 Q162 A163 A164 R191 | C158-E160 PolarHBondContact O-N 3.42Å; C158-E160 VanDerWaalsContact O-N 3.07Å; E160-Q162 VanDerWaalsContact C-N 3.32Å; E160-A163 PolarHBondContact O-N 3.15Å; E160-A164 WeakPolarHBondContact O-CB 3.44Å; E160-A164 PolarHBondContact O-N 3.13Å; E160-R191 WeakPolarHBondContact OE1-CD 3.29Å; E160-R191 IonicContact OE1-CZ 3.43Å; E160-R191 IonicContact OE1-NE 3.55Å; E160-R191 IonicContact OE1-NH1 2.71Å; E160-R191 PolarHBondContact OE1-NH1 3.06Å |
| 161 | C | 85.4 | Confident | 75.8 | Confident | 10 Ų | 10 | 86 Ų | 86 | 7% | 0.068 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -68.8 | -34.5 | 175.1 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | L157 C158 A164 G166 H187 | L157-C161 HydrophobicContact CB-CB 4.06Å; L157-C161 HydrophobicContact CD2-CB 3.92Å; C158-C161 PolarHBondContact O-N 3.5Å; C158-C161 VanDerWaalsContact O-N 3.09Å; C158-C161 PolarHBondContact SG-N 3.19Å; C158-C161 VanDerWaalsContact SG-SG 3.6Å; C161-A164 PolarHBondContact O-N 3.18Å; C161-G166 PolarHBondContact O-N 3.29Å; C161-H187 PolarHBondContact SG-ND1 2.93Å; C161-H187 VanDerWaalsContact SG-ND1 3.36Å |
| 162 | Q | 83 | Confident | 75.4 | Confident | 121 Ų | 121 | 81.7 Ų | 81.7 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.3 | -43.9 | 173.3 | -170.9 | 176.8 | 1.3 | 0 | 0 | 111.4 | N152 C158 E160 A164 Q165 | N152-Q162 PolarHBondContact ND2-OE1 3.11Å; N152-Q162 VanDerWaalsContact ND2-OE1 3.07Å; C158-Q162 WeakPolarHBondContact O-CB 3.17Å; C158-Q162 PolarHBondContact O-N 2.88Å; E160-Q162 VanDerWaalsContact C-N 3.32Å; Q162-A164 VanDerWaalsContact C-N 3.34Å; Q162-A164 PolarHBondContact O-N 2.78Å; Q162-Q165 PolarHBondContact O-N 3.06Å |
| 163 | A | 78.3 | Confident | 75.2 | Confident | 79 Ų | 79 | 81.2 Ų | 81.2 | 65% | 0.653 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66 | -34.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I159 E160 Q165 | I159-A163 VanDerWaalsContact O-CB 3.27Å; I159-A163 WeakPolarHBondContact O-CB 3.15Å; I159-A163 PolarHBondContact O-N 3.23Å; E160-A163 PolarHBondContact O-N 3.15Å; A163-Q165 PolarHBondContact O-N 3.33Å; A163-Q165 VanDerWaalsContact O-N 3.12Å |
| 164 | A | 76 | Confident | 75.2 | Confident | 39 Ų | 39 | 81.8 Ų | 81.8 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 6.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | E160 C161 Q162 G166 T167 | E160-A164 WeakPolarHBondContact O-CB 3.44Å; E160-A164 PolarHBondContact O-N 3.13Å; C161-A164 PolarHBondContact O-N 3.18Å; Q162-A164 VanDerWaalsContact C-N 3.34Å; Q162-A164 PolarHBondContact O-N 2.78Å; A164-G166 PolarHBondContact O-N 3.24Å; A164-T167 WeakPolarHBondContact O-CB 3.43Å; A164-T167 PolarHBondContact O-N 3.34Å; A164-T167 PolarHBondContact O-OG1 3.21Å |
| 165 | Q | 66.8 | Low | 75.3 | Confident | 172 Ų | 172 | 84.2 Ų | 84.2 | 80% | 0.804 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 35.2 | -179.1 | -60.8 | -174 | 8.4 | 0 | 0 | 113.3 | Q162 A163 T167 | Q162-Q165 PolarHBondContact O-N 3.06Å; A163-Q165 PolarHBondContact O-N 3.33Å; A163-Q165 VanDerWaalsContact O-N 3.12Å; Q165-T167 PolarHBondContact O-N 3.21Å; Q165-T167 VanDerWaalsContact O-N 3.12Å |
| 166 | G | 59.3 | Low | 75.3 | Confident | 38 Ų | 38 | 77.8 Ų | 77.8 | 39% | 0.392 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 12.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | C161 A164 N170 | C161-G166 PolarHBondContact O-N 3.29Å; A164-G166 PolarHBondContact O-N 3.24Å; G166-N170 WeakPolarHBondContact CA-ND2 3.44Å; G166-N170 PolarHBondContact O-ND2 3.18Å |
| 167 | T | 60.7 | Low | 75.2 | Confident | 126 Ų | 126 | 77.8 Ų | 77.8 | 77% | 0.773 | 44% | 0.439 | S | S | * | . | trans | -82.7 | -15.8 | 179.2 | 62.7 | 0 | 0 | 0 | 0 | 113.7 | A164 Q165 | A164-T167 WeakPolarHBondContact O-CB 3.43Å; A164-T167 PolarHBondContact O-N 3.34Å; A164-T167 PolarHBondContact O-OG1 3.21Å; Q165-T167 PolarHBondContact O-N 3.21Å; Q165-T167 VanDerWaalsContact O-N 3.12Å | ||
| 168 | G | 54 | Low | 74.8 | Confident | 40 Ų | 40 | 74.8 Ų | 74.8 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -87.7 | 165.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N170 | G168-N170 VanDerWaalsContact C-N 3.26Å; G168-N170 PolarHBondContact O-N 3.12Å |
| 169 | T | 63.8 | Low | 74.3 | Confident | 102 Ų | 102 | 82.3 Ų | 82.3 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | trans | -62.4 | 82.2 | 176.8 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | E171 E172 | T169-E171 PolarHBondContact O-N 3.21Å; T169-E172 PolarHBondContact O-N 2.89Å | ||
| 170 | N | 60.5 | Low | 74 | Confident | 63 Ų | 63 | 81.4 Ų | 81.4 | 34% | 0.337 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -58.7 | -19.4 | 175.8 | -61.2 | -47.7 | 0 | 0 | 0 | 112.1 | L157 G166 G168 E172 C173 | L157-N170 HydrophobicContact CD2-CB 4.45Å; G166-N170 WeakPolarHBondContact CA-ND2 3.44Å; G166-N170 PolarHBondContact O-ND2 3.18Å; G168-N170 VanDerWaalsContact C-N 3.26Å; G168-N170 PolarHBondContact O-N 3.12Å; N170-E172 PolarHBondContact O-N 2.94Å; N170-C173 PolarHBondContact O-N 3.47Å; N170-C173 VanDerWaalsContact O-N 3.13Å |
| 171 | E | 66.5 | Low | 73.5 | Confident | 181 Ų | 181 | 81.9 Ų | 81.9 | 85% | 0.846 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -59.6 | -23.9 | 179.7 | -57.6 | -176.1 | -176.4 | 0 | 0 | 113.4 | T169 | T169-E171 PolarHBondContact O-N 3.21Š|
| 172 | E | 75.6 | Confident | 73.3 | Confident | 119 Ų | 119 | 85.1 Ų | 85.1 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -89.2 | -14.4 | -179.7 | -165.3 | 170.7 | -177.4 | 0 | 0 | 113 | T169 N170 T174 L186 | T169-E172 PolarHBondContact O-N 2.89Å; N170-E172 PolarHBondContact O-N 2.94Å; E172-T174 PolarHBondContact O-N 2.71Å; E172-L186 HydrophobicContact CG-CD2 4.27Å; E172-L186 VanDerWaalsContact O-CD2 3.27Å; E172-L186 WeakPolarHBondContact O-CD2 3.17Å |
| 173 | C | 80.6 | Confident | 73.2 | Confident | 24 Ų | 24 | 79.6 Ų | 79.6 | 16% | 0.162 | 47% | 0.47 | C | S | . | . | trans | -82 | 57.3 | -176.9 | -153.6 | 0 | 0 | 0 | 0 | 112.8 | C158 N170 H187 | C158-C173 PolarHBondContact SG-SG 3.11Å; N170-C173 PolarHBondContact O-N 3.47Å; N170-C173 VanDerWaalsContact O-N 3.13Å; C173-H187 PolarHBondContact SG-ND1 3.3Å | ||
| 174 | T | 84.3 | Confident | 73.8 | Confident | 79 Ų | 79 | 77.4 Ų | 77.4 | 49% | 0.485 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 165.3 | 178.8 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | E172 L186 | E172-T174 PolarHBondContact O-N 2.71Å; T174-L186 WeakPolarHBondContact O-CB 3.5Å; T174-L186 PolarHBondContact O-N 2.87Å |
| 175 | V | 83.7 | Confident | 74.4 | Confident | 58 Ų | 58 | 75.7 Ų | 75.7 | 35% | 0.352 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 120.2 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | I154 A183 F184 | I154-V175 HydrophobicContact CD1-CG1 3.91Å; I154-V175 HydrophobicContact CD1-CG2 4.17Å; I154-V175 HydrophobicContact CG1-CB 4.45Å; I154-V175 HydrophobicContact CG1-CG1 3.76Å; I154-V175 HydrophobicContact CG1-CG2 3.8Å; V175-A183 HydrophobicContact CG1-CB 4.02Å; V175-F184 CarbonylContact C-O 3.59Å |
| 176 | A | 83.1 | Confident | 75.4 | Confident | 23 Ų | 23 | 70 Ų | 70 | 19% | 0.19 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F184 L186 I189 | A176-F184 PolarHBondContact N-O 3.35Å; A176-F184 PolarHBondContact O-N 2.91Å; A176-L186 HydrophobicContact CB-CD1 4.07Å; A176-I189 HydrophobicContact CB-CG2 4.12Å |
| 177 | W | 78.6 | Confident | 76.9 | Confident | 112 Ų | 112 | 70 Ų | 70 | 42% | 0.424 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.6 | -178.8 | -74.3 | 87.1 | 0 | 0 | 0 | 111.4 | I142 N181 A183 | I142-W177 HydrophobicContact CB-CH2 4.43Å; I142-W177 HydrophobicContact CG1-CH2 4.04Å; I142-W177 HydrophobicContact CG1-CZ2 4.43Å; I142-W177 HydrophobicContact CG2-CH2 4.36Å; W177-N181 VanDerWaalsContact CZ3-O 3.31Å; W177-N181 WeakPolarHBondContact CZ3-O 3.26Å; W177-A183 HydrophobicContact CD2-CB 4.25Å; W177-A183 HydrophobicContact CE3-CB 4.23Å; W177-A183 HydrophobicContact CH2-CB 4.04Å; W177-A183 HydrophobicContact CZ2-CB 4.02Å; W177-A183 HydrophobicContact CZ3-CB 4.14Å |
| 178 | G | 75.6 | Confident | 78.2 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 25% | 0.247 | 36% | 0.361 | C | S | . | . | trans | -81.5 | 156.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C180 N181 H182 | G178-C180 PolarHBondContact O-N 3.08Å; G178-C180 VanDerWaalsContact O-N 3.08Å; G178-N181 PolarHBondContact O-N 2.96Å; G178-H182 PolarHBondContact N-O 3.02Å | ||
| 179 | V | 76.6 | Confident | 79.8 | Confident | 158 Ų | 158 | 64.2 Ų | 64.2 | 96% | 0.958 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -19.2 | 169.8 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | N181 | V179-N181 VanDerWaalsContact C-N 3.3Š|
| 180 | C | 78.9 | Confident | 80.9 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 52% | 0.52 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 15.2 | 174.8 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | G178 H182 | G178-C180 PolarHBondContact O-N 3.08Å; G178-C180 VanDerWaalsContact O-N 3.08Å; C180-H182 PolarHBondContact O-N 3.01Å; C180-H182 VanDerWaalsContact O-N 3.14Å; C180-H182 PolarHBondContact O-ND1 2.99Å; C180-H182 VanDerWaalsContact O-ND1 3.12Å; C180-H182 PolarHBondContact SG-ND1 3.43Å |
| 181 | N | 73.1 | Confident | 82.1 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 40% | 0.401 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 57.7 | 20.1 | -177.5 | -77 | 10.2 | 0 | 0 | 0 | 115.7 | W177 G178 V179 | W177-N181 VanDerWaalsContact CZ3-O 3.31Å; W177-N181 WeakPolarHBondContact CZ3-O 3.26Å; G178-N181 PolarHBondContact O-N 2.96Å; V179-N181 VanDerWaalsContact C-N 3.3Å |
| 182 | H | 80.7 | Confident | 83 | Confident | 77 Ų | 77 | 63 Ų | 63 | 36% | 0.356 | 33% | 0.329 | S | S | . | . | trans | -86 | 136.1 | 168.3 | -70 | 83.7 | 0 | 0 | 0 | 109.8 | G178 C180 F184 | G178-H182 PolarHBondContact N-O 3.02Å; C180-H182 PolarHBondContact O-N 3.01Å; C180-H182 VanDerWaalsContact O-N 3.14Å; C180-H182 PolarHBondContact O-ND1 2.99Å; C180-H182 VanDerWaalsContact O-ND1 3.12Å; C180-H182 PolarHBondContact SG-ND1 3.43Å; H182-F184 HydrophobicContact CB-CD2 4.43Å; H182-F184 HydrophobicContact CB-CE1 4.48Å; H182-F184 HydrophobicContact CB-CE2 3.5Å; H182-F184 HydrophobicContact CB-CZ 3.54Å; H182-F184 WeakPolarHBondContact O-CE2 3.22Å | ||
| 183 | A | 81.5 | Confident | 83.5 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 5% | 0.05 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I154 V175 W177 | I154-A183 HydrophobicContact CD1-CB 3.75Å; I154-A183 HydrophobicContact CG1-CB 3.79Å; V175-A183 HydrophobicContact CG1-CB 4.02Å; W177-A183 HydrophobicContact CD2-CB 4.25Å; W177-A183 HydrophobicContact CE3-CB 4.23Å; W177-A183 HydrophobicContact CH2-CB 4.04Å; W177-A183 HydrophobicContact CZ2-CB 4.02Å; W177-A183 HydrophobicContact CZ3-CB 4.14Å |
| 184 | F | 89.1 | Confident | 83.7 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.3 | 178.8 | -53.3 | -88.6 | 0 | 0 | 0 | 109.2 | A148 V149 V175 A176 H182 I189 | A148-F184 HydrophobicContact CB-CD1 4.33Å; A148-F184 HydrophobicContact CB-CE1 3.75Å; V149-F184 HydrophobicContact CG2-CD1 3.78Å; V149-F184 HydrophobicContact CG2-CE1 4.08Å; V175-F184 CarbonylContact C-O 3.59Å; A176-F184 PolarHBondContact N-O 3.35Å; A176-F184 PolarHBondContact O-N 2.91Å; H182-F184 HydrophobicContact CB-CD2 4.43Å; H182-F184 HydrophobicContact CB-CE1 4.48Å; H182-F184 HydrophobicContact CB-CE2 3.5Å; H182-F184 HydrophobicContact CB-CZ 3.54Å; H182-F184 WeakPolarHBondContact O-CE2 3.22Å; F184-I189 HydrophobicContact CB-CB 4.15Å |
| 185 | H | 89.2 | Confident | 83.5 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 140.7 | 162.3 | -54.9 | 112.9 | 0 | 0 | 0 | 109.8 | C147 C150 H153 I154 E156 C158 H187 C188 I189 | C147-H185 VanDerWaalsContact CB-ND1 3.34Å; C147-H185 WeakPolarHBondContact CB-ND1 3.45Å; C147-H185 PolarHBondContact SG-ND1 3.44Å; C147-H185 VanDerWaalsContact SG-ND1 3.39Å; C150-H185 VanDerWaalsContact SG-CE1 3.52Å; C150-H185 PolarHBondContact SG-ND1 2.96Å; H153-H185 PolarHBondContact O-NE2 3.07Å; I154-H185 PolarHBondContact O-NE2 3.14Å; E156-H185 PolarHBondContact O-NE2 3.08Å; C158-H185 HydrophobicContact CB-CB 3.65Å; C158-H185 VanDerWaalsContact CB-CG 3.5Å; C158-H185 WeakPolarHBondContact CB-ND1 3.08Å; H185-H187 VanDerWaalsContact C-N 3.25Å; H185-H187 PolarHBondContact O-N 3.44Å; H185-C188 HydrophobicContact CB-CB 4.13Å; H185-C188 WeakPolarHBondContact O-CB 3.38Å; H185-C188 PolarHBondContact O-N 3.04Å; H185-I189 PolarHBondContact O-N 3.4Å; H185-I189 VanDerWaalsContact O-N 3.1Å |
| 186 | L | 89.1 | Confident | 82.8 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 27% | 0.272 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55.9 | -40.5 | -178 | -172.7 | 67.2 | 0 | 0 | 0 | 112.2 | E172 T174 A176 I189 S190 | E172-L186 HydrophobicContact CG-CD2 4.27Å; E172-L186 VanDerWaalsContact O-CD2 3.27Å; E172-L186 WeakPolarHBondContact O-CD2 3.17Å; T174-L186 WeakPolarHBondContact O-CB 3.5Å; T174-L186 PolarHBondContact O-N 2.87Å; A176-L186 HydrophobicContact CB-CD1 4.07Å; L186-I189 VanDerWaalsContact O-CG2 3.3Å; L186-I189 WeakPolarHBondContact O-CG2 3.48Å; L186-S190 VanDerWaalsContact O-CB 3.25Å; L186-S190 WeakPolarHBondContact O-CB 3.42Å; L186-S190 PolarHBondContact O-N 2.94Å; L186-S190 PolarHBondContact O-OG 3.39Å |
| 187 | H | 89.3 | Confident | 81.6 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 19% | 0.185 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.9 | -42 | 176.8 | -64.4 | 164.6 | 0 | 0 | 0 | 112.3 | C161 C173 H185 I189 S190 R191 | C161-H187 PolarHBondContact SG-ND1 2.93Å; C161-H187 VanDerWaalsContact SG-ND1 3.36Å; C173-H187 PolarHBondContact SG-ND1 3.3Å; H185-H187 VanDerWaalsContact C-N 3.25Å; H185-H187 PolarHBondContact O-N 3.44Å; H187-I189 PolarHBondContact O-N 2.89Å; H187-S190 PolarHBondContact O-N 2.73Å; H187-R191 PolarHBondContact O-N 2.97Å |
| 188 | C | 88.8 | Confident | 80.2 | Confident | 7 Ų | 7 | 75.8 Ų | 75.8 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 179.9 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | V149 H185 W192 | V149-C188 HydrophobicContact CB-CB 3.83Å; V149-C188 HydrophobicContact CG1-CB 3.8Å; V149-C188 HydrophobicContact CG2-CB 4.43Å; H185-C188 HydrophobicContact CB-CB 4.13Å; H185-C188 WeakPolarHBondContact O-CB 3.38Å; H185-C188 PolarHBondContact O-N 3.04Å; C188-W192 WeakPolarHBondContact O-CB 3.45Å; C188-W192 PolarHBondContact O-N 3.37Å; C188-W192 VanDerWaalsContact O-N 3.17Å |
| 189 | I | 87.9 | Confident | 78.9 | Confident | 37 Ų | 37 | 81.2 Ų | 81.2 | 19% | 0.19 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.2 | -38 | 178.6 | -169.7 | 62.3 | 0 | 0 | 0 | 111.7 | A176 F184 H185 L186 H187 R191 W192 L193 | A176-I189 HydrophobicContact CB-CG2 4.12Å; F184-I189 HydrophobicContact CB-CB 4.15Å; H185-I189 PolarHBondContact O-N 3.4Å; H185-I189 VanDerWaalsContact O-N 3.1Å; L186-I189 VanDerWaalsContact O-CG2 3.3Å; L186-I189 WeakPolarHBondContact O-CG2 3.48Å; H187-I189 PolarHBondContact O-N 2.89Å; I189-R191 VanDerWaalsContact C-N 3.35Å; I189-R191 PolarHBondContact O-N 3.45Å; I189-W192 HydrophobicContact CD1-CE3 4.16Å; I189-W192 PolarHBondContact O-N 3.27Å; I189-L193 HydrophobicContact CG1-CD1 4.35Å; I189-L193 WeakPolarHBondContact O-CG 3.48Å; I189-L193 PolarHBondContact O-N 3.23Å |
| 190 | S | 86.4 | Confident | 77.6 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 178.8 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | L186 H187 K194 | L186-S190 VanDerWaalsContact O-CB 3.25Å; L186-S190 WeakPolarHBondContact O-CB 3.42Å; L186-S190 PolarHBondContact O-N 2.94Å; L186-S190 PolarHBondContact O-OG 3.39Å; H187-S190 PolarHBondContact O-N 2.73Å; S190-K194 WeakPolarHBondContact O-CG 3.4Å; S190-K194 PolarHBondContact O-N 3.42Å |
| 191 | R | 85.2 | Confident | 75.7 | Confident | 158 Ų | 158 | 80.6 Ų | 80.6 | 60% | 0.596 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.2 | -43.6 | 175.5 | -174.6 | 169.3 | -173.2 | 137.1 | 5.5 | 112.1 | E160 H187 I189 L193 K194 T195 | E160-R191 WeakPolarHBondContact OE1-CD 3.29Å; E160-R191 IonicContact OE1-CZ 3.43Å; E160-R191 IonicContact OE1-NE 3.55Å; E160-R191 IonicContact OE1-NH1 2.71Å; E160-R191 PolarHBondContact OE1-NH1 3.06Å; H187-R191 PolarHBondContact O-N 2.97Å; I189-R191 VanDerWaalsContact C-N 3.35Å; I189-R191 PolarHBondContact O-N 3.45Å; R191-L193 VanDerWaalsContact C-N 3.29Å; R191-L193 PolarHBondContact O-N 3.38Å; R191-K194 PolarHBondContact O-N 3.2Å; R191-T195 PolarHBondContact O-N 2.86Å; R191-T195 VanDerWaalsContact O-N 3.13Å; R191-T195 PolarHBondContact O-OG1 2.7Å; R191-T195 VanDerWaalsContact O-OG1 3.13Å |
| 192 | W | 86 | Confident | 73.9 | Confident | 114 Ų | 114 | 85.7 Ų | 85.7 | 43% | 0.432 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 178.2 | -174.8 | 92.7 | 0 | 0 | 0 | 112.3 | C188 I189 T195 R196 | C188-W192 WeakPolarHBondContact O-CB 3.45Å; C188-W192 PolarHBondContact O-N 3.37Å; C188-W192 VanDerWaalsContact O-N 3.17Å; I189-W192 HydrophobicContact CD1-CE3 4.16Å; I189-W192 PolarHBondContact O-N 3.27Å; W192-T195 PolarHBondContact O-N 3.35Å; W192-R196 VanDerWaalsContact CE2-NH1 3.32Å; W192-R196 PolarHBondContact O-N 3.42Å |
| 193 | L | 86.6 | Confident | 71.7 | Confident | 81 Ų | 81 | 91.9 Ų | 91.9 | 42% | 0.424 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 174.4 | -73 | 169.4 | 0 | 0 | 0 | 111.9 | I189 R191 T195 R196 H197 | I189-L193 HydrophobicContact CG1-CD1 4.35Å; I189-L193 WeakPolarHBondContact O-CG 3.48Å; I189-L193 PolarHBondContact O-N 3.23Å; R191-L193 VanDerWaalsContact C-N 3.29Å; R191-L193 PolarHBondContact O-N 3.38Å; L193-T195 VanDerWaalsContact C-N 3.29Å; L193-T195 PolarHBondContact O-N 3.48Å; L193-R196 PolarHBondContact O-N 3.01Å; L193-H197 PolarHBondContact O-CD2 3.05Å; L193-H197 PolarHBondContact O-N 3.45Å |
| 194 | K | 85 | Confident | 69.2 | Low | 160 Ų | 160 | 98.1 Ų | 98.1 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.5 | -37.7 | 178.6 | -72.6 | 174.5 | -177.8 | 178.6 | 0 | 112.7 | S190 R191 R196 | S190-K194 WeakPolarHBondContact O-CG 3.4Å; S190-K194 PolarHBondContact O-N 3.42Å; R191-K194 PolarHBondContact O-N 3.2Å; K194-R196 VanDerWaalsContact C-N 3.35Å |
| 195 | T | 78.3 | Confident | 66.5 | Low | 81 Ų | 81 | 105.8 Ų | 105.8 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.9 | -25.3 | 179.7 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | R191 W192 L193 S198 | R191-T195 PolarHBondContact O-N 2.86Å; R191-T195 VanDerWaalsContact O-N 3.13Å; R191-T195 PolarHBondContact O-OG1 2.7Å; R191-T195 VanDerWaalsContact O-OG1 3.13Å; W192-T195 PolarHBondContact O-N 3.35Å; L193-T195 VanDerWaalsContact C-N 3.29Å; L193-T195 PolarHBondContact O-N 3.48Å; T195-S198 PolarHBondContact O-OG 2.95Å |
| 196 | R | 70.6 | Confident | 63.6 | Low | 151 Ų | 151 | 111 Ų | 111 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -85.9 | -27.5 | 178.2 | -67.5 | -163.7 | 113.4 | 104.3 | 3.2 | 113.8 | W192 L193 K194 S198 D199 | W192-R196 VanDerWaalsContact CE2-NH1 3.32Å; W192-R196 PolarHBondContact O-N 3.42Å; L193-R196 PolarHBondContact O-N 3.01Å; K194-R196 VanDerWaalsContact C-N 3.35Å; R196-S198 PolarHBondContact O-N 3.48Å; R196-D199 PolarHBondContact O-N 3.23Å |
| 197 | H | 56.8 | Low | 60.9 | Low | 132 Ų | 132 | 112.5 Ų | 112.5 | 61% | 0.611 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71 | -18.8 | 175.5 | -75.2 | -65.8 | 0 | 0 | 0 | 112.9 | L193 S200 | L193-H197 PolarHBondContact O-CD2 3.05Å; L193-H197 PolarHBondContact O-N 3.45Å; H197-S200 PolarHBondContact O-OG 3.08Å; H197-S200 VanDerWaalsContact O-OG 3.08Å |
| 198 | S | 50.4 | Low | 58.1 | Low | 78 Ų | 78 | 119.3 Ų | 119.3 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | -15 | 174.5 | 53 | 0 | 0 | 0 | 0 | 114.7 | T195 R196 | T195-S198 PolarHBondContact O-OG 2.95Å; R196-S198 PolarHBondContact O-N 3.48Å |
| 199 | D | 48.2 | Very low | 55.2 | Low | 139 Ų | 139 | 125.3 Ų | 125.3 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -90.7 | -4.1 | -178.6 | -74.9 | -11.9 | 0 | 0 | 0 | 113.1 | R196 | R196-D199 PolarHBondContact O-N 3.23Š|
| 200 | S | 47.9 | Very low | 52.4 | Low | 82 Ų | 82 | 129.3 Ų | 129.3 | 57% | 0.573 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -90.4 | -2.6 | -178.6 | 41.6 | 0 | 0 | 0 | 0 | 115.3 | H197 E202 | H197-S200 PolarHBondContact O-OG 3.08Å; H197-S200 VanDerWaalsContact O-OG 3.08Å; S200-E202 PolarHBondContact O-N 3.36Å |
| 201 | D | 40.2 | Very low | 49.7 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | -98.9 | 33.4 | -173.7 | -68.6 | -31.9 | 0 | 0 | 0 | 114.4 | ||||
| 202 | E | 35 | Very low | 47 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -129.7 | 64.8 | 168.7 | -153.7 | 176.4 | -164.7 | 0 | 0 | 111.8 | S200 | S200-E202 PolarHBondContact O-N 3.36Š|
| 203 | K | 35.4 | Very low | 44.5 | Very low | 206 Ų | 206 | 139 Ų | 139 | 90% | 0.896 | 73% | 0.732 | S | S | * | * | trans | -179.1 | 87.5 | 146.3 | -104.3 | 170.6 | -178 | 179.6 | 0 | 110.6 | ||||
| 204 | T | 27.9 | Very low | 41.9 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | -99.6 | 103 | 165.4 | 32.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 205 | E | 32.3 | Very low | 39.7 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | trans | -128.1 | 109.7 | 153.8 | -77.6 | -169 | 170.8 | 0 | 0 | 109 | ||||
| 206 | A | 29.4 | Very low | 37.6 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | trans | 43.5 | 111.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 207 | G | 32.2 | Very low | 36.2 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | 175.1 | 89.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 208 | E | 29.4 | Very low | 35.1 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -75.1 | 135.4 | -179.6 | -161.3 | 172.7 | -175 | 0 | 0 | 112 | ||||
| 209 | N | 27.6 | Very low | 34.7 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 7.7 | 133.4 | 157.5 | -62.1 | -39.5 | 0 | 0 | 0 | 119.7 | ||||
| 210 | T | 29.8 | Very low | 34.2 | Very low | 121 Ų | 121 | 144 Ų | 144 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | -179 | 130.5 | 99.4 | 21.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 211 | E | 28.7 | Very low | 34.1 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 70.4 | 115.1 | 134.5 | -68.6 | 173.7 | -175.3 | 0 | 0 | 122.6 | ||||
| 212 | E | 29.6 | Very low | 34.4 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | 71.9 | 101.8 | 131.7 | -61.4 | -168.5 | 173.5 | 0 | 0 | 119.6 | ||||
| 213 | K | 34.2 | Very low | 35.3 | Very low | 196 Ų | 196 | 142 Ų | 142 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | -139 | 94.1 | 124.8 | -134.6 | 173.4 | -172 | 174.6 | 0 | 111.1 | S215 | K213-S215 PolarHBondContact O-N 2.78Š| |||
| 214 | S | 31.8 | Very low | 36.1 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -64.4 | 112.3 | 152.6 | 50.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 215 | S | 37.8 | Very low | 38 | Very low | 87 Ų | 87 | 143 Ų | 143 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | -148.7 | 93.7 | 151.3 | 69.4 | 0 | 0 | 0 | 0 | 108.2 | K213 T217 | K213-S215 PolarHBondContact O-N 2.78Å; S215-T217 VanDerWaalsContact C-N 3.31Å; S215-T217 PolarHBondContact O-N 2.83Å | ||
| 216 | S | 35.4 | Very low | 39.4 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -53.2 | 93.3 | 158.6 | 40 | 0 | 0 | 0 | 0 | 109.6 | K218 | S216-K218 VanDerWaalsContact C-N 3.29Å; S216-K218 PolarHBondContact O-N 3.33Å | ||
| 217 | T | 39.8 | Very low | 41.1 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -71.5 | 96.4 | 159.7 | -50.9 | 0 | 0 | 0 | 0 | 106.7 | S215 N219 | S215-T217 VanDerWaalsContact C-N 3.31Å; S215-T217 PolarHBondContact O-N 2.83Å; T217-N219 PolarHBondContact O-N 2.92Å | ||
| 218 | K | 35.1 | Very low | 42.8 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -47.6 | 104.9 | 160.4 | -68.6 | 174.7 | 177.4 | 175.7 | 0 | 107.7 | S216 D220 | S216-K218 VanDerWaalsContact C-N 3.29Å; S216-K218 PolarHBondContact O-N 3.33Å; K218-D220 PolarHBondContact O-N 2.67Å | ||
| 219 | N | 42.1 | Very low | 44.5 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -87.2 | 72.5 | 158.6 | -140 | 7.1 | 0 | 0 | 0 | 106.2 | T217 | T217-N219 PolarHBondContact O-N 2.92Š| ||
| 220 | D | 37.4 | Very low | 46.1 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -67.1 | 135.5 | 159.3 | 178.4 | 43.4 | 0 | 0 | 0 | 107.4 | K218 | K218-D220 PolarHBondContact O-N 2.67Š| ||
| 221 | G | 44.8 | Very low | 47.8 | Very low | 49 Ų | 49 | 145.5 Ų | 145.5 | 51% | 0.505 | 75% | 0.748 | S | S | . | * | trans | 138.1 | 58.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K223 | G221-K223 VanDerWaalsContact C-N 3.28Å; G221-K223 PolarHBondContact O-N 2.76Å | ||
| 222 | T | 47.2 | Very low | 49.3 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | -26.7 | 82.3 | 153.3 | 37.9 | 0 | 0 | 0 | 0 | 113.5 | P224 | T222-P224 WeakPolarHBondContact O-CD 3.14Š| ||
| 223 | K | 54.4 | Low | 51.1 | Low | 176 Ų | 176 | 142.3 Ų | 142.3 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | -76.7 | 115.7 | 158.8 | -72 | -176.4 | -178.9 | -175.5 | 0 | 106.3 | G221 R225 | G221-K223 VanDerWaalsContact C-N 3.28Å; G221-K223 PolarHBondContact O-N 2.76Å; K223-R225 PolarHBondContact O-N 3.12Å; K223-R225 VanDerWaalsContact O-N 3.12Å | ||
| 224 | P | 51.3 | Low | 52.6 | Low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | trans | -57.1 | 124.7 | 174.8 | 23 | -30.4 | 0 | 0 | 0 | 107.4 | T222 F226 | T222-P224 WeakPolarHBondContact O-CD 3.14Å; P224-F226 PolarHBondContact O-N 2.76Å | ||
| 225 | R | 68.4 | Low | 53.6 | Low | 260 Ų | 260 | 138 Ų | 138 | 98% | 0.981 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -62.3 | 10.5 | -174.7 | -71.3 | -172.4 | 174.4 | -165.3 | -0.7 | 114.6 | K223 | K223-R225 PolarHBondContact O-N 3.12Å; K223-R225 VanDerWaalsContact O-N 3.12Å |
| 226 | F | 61.1 | Low | 54.3 | Low | 161 Ų | 161 | 142.7 Ų | 142.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -122.8 | 93.3 | -172.5 | -169.7 | -102.4 | 0 | 0 | 0 | 109.3 | P224 I228 | P224-F226 PolarHBondContact O-N 2.76Å; F226-I228 HydrophobicContact CD1-CG1 4.06Å; F226-I228 HydrophobicContact CE1-CD1 3.82Å; F226-I228 HydrophobicContact CE1-CG1 3.35Å; F226-I228 HydrophobicContact CZ-CD1 4.5Å; F226-I228 HydrophobicContact CZ-CG1 3.87Å | ||
| 227 | E | 66.1 | Low | 56 | Low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -103.4 | 115.6 | 166.6 | -71 | -178 | -178.2 | 0 | 0 | 108.2 | K229 | E227-K229 PolarHBondContact O-N 3.29Š| ||
| 228 | I | 67.4 | Low | 56.2 | Low | 112 Ų | 112 | 146.3 Ų | 146.3 | 57% | 0.574 | 76% | 0.756 | S | S | * | * | trans | -70.8 | 102.6 | 173.4 | -58.7 | 173.8 | 0 | 0 | 0 | 107.5 | F226 V231 | F226-I228 HydrophobicContact CD1-CG1 4.06Å; F226-I228 HydrophobicContact CE1-CD1 3.82Å; F226-I228 HydrophobicContact CE1-CG1 3.35Å; F226-I228 HydrophobicContact CZ-CD1 4.5Å; F226-I228 HydrophobicContact CZ-CG1 3.87Å; I228-V231 HydrophobicContact CG2-CG2 3.33Å | ||
| 229 | K | 65.6 | Low | 57.2 | Low | 170 Ų | 170 | 146.8 Ų | 146.8 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | trans | -66 | -48.6 | -179 | -88.6 | -177.9 | 176.8 | 174.3 | 0 | 112.4 | D141 E227 | D141-K229 IonicContact OD2-NZ 3.86Å; E227-K229 PolarHBondContact O-N 3.29Å | ||
| 230 | K | 59.6 | Low | 57.7 | Low | 157 Ų | 157 | 145 Ų | 145 | 68% | 0.683 | 74% | 0.744 | S | S | * | * | trans | -153.2 | 136.7 | -179.4 | -64.3 | -172.8 | -177.4 | 174.2 | 0 | 110.6 | Y232 | K230-Y232 HydrophobicContact CB-CE2 4.05Å; K230-Y232 HydrophobicContact CD-CE2 4.37Å; K230-Y232 WeakPolarHBondContact CD-OH 3.37Å | ||
| 231 | V | 65.9 | Low | 58.8 | Low | 117 Ų | 117 | 139.7 Ų | 139.7 | 71% | 0.709 | 72% | 0.715 | S | S | * | * | trans | -115 | 124.7 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | I228 | I228-V231 HydrophobicContact CG2-CG2 3.33Š| ||
| 232 | Y | 61.3 | Low | 59.4 | Low | 180 Ų | 180 | 140.7 Ų | 140.7 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | -109.3 | 115.4 | 169.3 | -62.9 | -74.8 | 0 | 0 | 0 | 108.4 | K230 V234 | K230-Y232 HydrophobicContact CB-CE2 4.05Å; K230-Y232 HydrophobicContact CD-CE2 4.37Å; K230-Y232 WeakPolarHBondContact CD-OH 3.37Å; Y232-V234 PolarHBondContact O-N 2.81Å | ||
| 233 | G | 66.9 | Low | 60.2 | Low | 82 Ų | 82 | 137 Ų | 137 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | trans | -80.4 | 111 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 234 | V | 65.5 | Low | 61 | Low | 125 Ų | 125 | 133.3 Ų | 133.3 | 76% | 0.758 | 69% | 0.688 | S | S | * | * | trans | -102 | 127.8 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | Y232 | Y232-V234 PolarHBondContact O-N 2.81Š| ||
| 235 | A | 52.6 | Low | 62.5 | Low | 89 Ų | 89 | 131.8 Ų | 131.8 | 74% | 0.736 | 67% | 0.674 | S | S | * | * | trans | -116.2 | 132.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 236 | M | 52.9 | Low | 63.4 | Low | 185 Ų | 185 | 119.4 Ų | 119.4 | 91% | 0.911 | 63% | 0.628 | S | S | * | * | trans | -106.2 | 144.7 | 172.1 | -63.2 | -172.5 | -64.4 | 0 | 0 | 109.8 | ||||
| 237 | W | 71.1 | Confident | 64.6 | Low | 205 Ų | 205 | 114 Ų | 114 | 78% | 0.777 | 61% | 0.612 | S | S | * | * | trans | -133 | 145.6 | 175.8 | 69.3 | -83.6 | 0 | 0 | 0 | 109.8 | W239 | W237-W239 AromaticContact CZ3-CD1 3.96Å; W237-W239 AromaticContact CZ3-CE2 3.97Å; W237-W239 HydrophobicContact CZ3-CZ2 4.45Å; W237-W239 AromaticContact CZ3-NE1 3.54Å | ||
| 238 | S | 43.7 | Very low | 65.6 | Low | 111 Ų | 111 | 108.9 Ų | 108.9 | 78% | 0.776 | 59% | 0.592 | S | S | * | * | trans | -145.8 | 153 | 173.3 | 62.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 239 | W | 56.2 | Low | 66.6 | Low | 194 Ų | 194 | 104 Ų | 104 | 74% | 0.735 | 57% | 0.568 | S | S | * | * | trans | -72.5 | 135.1 | 170.1 | -68.4 | 106.7 | 0 | 0 | 0 | 109.2 | W237 I241 | W237-W239 AromaticContact CZ3-CD1 3.96Å; W237-W239 AromaticContact CZ3-CE2 3.97Å; W237-W239 HydrophobicContact CZ3-CZ2 4.45Å; W237-W239 AromaticContact CZ3-NE1 3.54Å; W239-I241 VanDerWaalsContact C-N 3.25Å; W239-I241 HydrophobicContact CB-CD1 3.96Å; W239-I241 HydrophobicContact CB-CG1 3.79Å; W239-I241 PolarHBondContact O-N 2.91Å | ||
| 240 | N | 52 | Low | 67.7 | Low | 127 Ų | 127 | 106.2 Ų | 106.2 | 68% | 0.679 | 57% | 0.572 | S | S | * | * | trans | -75.4 | 78.8 | 175.8 | -177.4 | 25.2 | 0 | 0 | 0 | 110.4 | ||||
| 241 | I | 60.7 | Low | 68.9 | Low | 32 Ų | 32 | 100 Ų | 100 | 16% | 0.164 | 55% | 0.545 | C | S | . | . | trans | -104.1 | 119.4 | 177.9 | -53.8 | -173.7 | 0 | 0 | 0 | 107.4 | W239 V243 I253 W276 | W239-I241 VanDerWaalsContact C-N 3.25Å; W239-I241 HydrophobicContact CB-CD1 3.96Å; W239-I241 HydrophobicContact CB-CG1 3.79Å; W239-I241 PolarHBondContact O-N 2.91Å; I241-V243 WeakPolarHBondContact CG2-O 3.5Å; I241-V243 PolarHBondContact O-N 3.43Å; I241-I253 HydrophobicContact CD1-CG2 4.4Å; I241-W276 HydrophobicContact CB-CH2 4.18Å; I241-W276 HydrophobicContact CD1-CH2 4Å; I241-W276 HydrophobicContact CD1-CZ2 4.03Å; I241-W276 HydrophobicContact CG1-CH2 3.71Å; I241-W276 HydrophobicContact CG1-CZ2 4.17Å; I241-W276 HydrophobicContact CG2-CH2 3.82Å | ||
| 242 | G | 58.4 | Low | 69.7 | Low | 70 Ų | 70 | 97.8 Ų | 97.8 | 72% | 0.722 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -70.9 | -14.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 243 | V | 62.8 | Low | 70.7 | Confident | 59 Ų | 59 | 89.4 Ų | 89.4 | 36% | 0.358 | 50% | 0.495 | S | S | . | . | trans | -148.7 | 112.4 | -179.6 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | I241 N245 L300 | I241-V243 WeakPolarHBondContact CG2-O 3.5Å; I241-V243 PolarHBondContact O-N 3.43Å; V243-N245 WeakPolarHBondContact CG1-O 3.49Å; V243-N245 PolarHBondContact O-N 3.31Å; V243-L300 HydrophobicContact CG2-CD1 4.28Å | ||
| 244 | E | 71.2 | Confident | 71.4 | Confident | 98 Ų | 98 | 93 Ų | 93 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -69.9 | -19.3 | 179.1 | -66.5 | -61.7 | 156.6 | 0 | 0 | 113.3 | H252 I253 | E244-H252 CarbonylContact O-C 3.55Å; E244-H252 WeakPolarHBondContact O-CA 3.48Å; E244-I253 PolarHBondContact O-N 2.94Å |
| 245 | N | 83.9 | Confident | 72.2 | Confident | 73 Ų | 73 | 90.1 Ų | 90.1 | 39% | 0.39 | 47% | 0.47 | S | S | . | . | B | Isolated β-bridge | trans | -112.3 | 132.8 | -175.1 | -62.6 | -18.6 | 0 | 0 | 0 | 110.8 | V243 A247 N251 H252 | V243-N245 WeakPolarHBondContact CG1-O 3.49Å; V243-N245 PolarHBondContact O-N 3.31Å; N245-A247 PolarHBondContact O-N 3.37Å; N245-A247 VanDerWaalsContact O-N 3.13Å; N245-N251 WeakPolarHBondContact CA-O 3.27Å; N245-H252 PolarHBondContact OD1-CE1 3.14Å; N245-H252 PolarHBondContact OD1-ND1 3.12Å; N245-H252 VanDerWaalsContact OD1-ND1 3.13Å |
| 246 | C | 87.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 45% | 0.448 | C | S | . | . | trans | -64.5 | 115.9 | 175.4 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | V248 C249 R250 N251 | C246-V248 PolarHBondContact O-N 3.44Å; C246-C249 PolarHBondContact O-N 3.19Å; C246-R250 VanDerWaalsContact O-CA 3.24Å; C246-R250 WeakPolarHBondContact O-CA 3.38Å; C246-R250 PolarHBondContact O-N 2.95Å; C246-N251 PolarHBondContact N-O 2.75Å | ||
| 247 | A | 85.6 | Confident | 75.4 | Confident | 46 Ų | 46 | 79.6 Ų | 79.6 | 38% | 0.38 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N245 F283 L300 | N245-A247 PolarHBondContact O-N 3.37Å; N245-A247 VanDerWaalsContact O-N 3.13Å; A247-F283 HydrophobicContact CB-CE1 3.77Å; A247-L300 HydrophobicContact CB-CD2 4.04Å; A247-L300 HydrophobicContact CB-CG 4.23Å |
| 248 | V | 86.2 | Confident | 76.1 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 33% | 0.333 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -43.5 | -179.6 | -178.1 | 0 | 0 | 0 | 0 | 112 | C246 F283 C287 P299 | C246-V248 PolarHBondContact O-N 3.44Å; V248-F283 HydrophobicContact CG2-CD1 4.29Å; V248-C287 HydrophobicContact CB-CB 3.89Å; V248-C287 HydrophobicContact CG1-CB 3.91Å; V248-C287 HydrophobicContact CG2-CB 4.42Å; V248-P299 HydrophobicContact CG2-CG 3.92Å |
| 249 | C | 89.5 | Confident | 78 | Confident | 10 Ų | 10 | 72.9 Ų | 72.9 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -3.9 | -176.3 | 73.9 | 0 | 0 | 0 | 0 | 114.5 | C246 N251 I258 H284 C287 | C246-C249 PolarHBondContact O-N 3.19Å; C249-N251 PolarHBondContact O-N 3.03Å; C249-I258 HydrophobicContact CB-CD1 3.88Å; C249-I258 HydrophobicContact CB-CG1 3.96Å; C249-I258 WeakPolarHBondContact O-CD1 3.28Å; C249-H284 PolarHBondContact SG-CE1 3.27Å; C249-H284 PolarHBondContact SG-ND1 3.5Å; C249-C287 VanDerWaalsContact SG-SG 3.7Å |
| 250 | R | 87.4 | Confident | 79.4 | Confident | 216 Ų | 216 | 63.9 Ų | 63.9 | 82% | 0.815 | 34% | 0.338 | S | S | * | . | trans | 59.8 | -2.8 | 179.9 | -57.5 | -177.5 | 175.9 | 167.4 | -2.8 | 117 | C246 | C246-R250 VanDerWaalsContact O-CA 3.24Å; C246-R250 WeakPolarHBondContact O-CA 3.38Å; C246-R250 PolarHBondContact O-N 2.95Å | ||
| 251 | N | 84.8 | Confident | 80.9 | Confident | 25 Ų | 25 | 61 Ų | 61 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -70.1 | 157.6 | 167.2 | -72.2 | 2.7 | 0 | 0 | 0 | 111.6 | N245 C246 C249 L256 Q261 | N245-N251 WeakPolarHBondContact CA-O 3.27Å; C246-N251 PolarHBondContact N-O 2.75Å; C249-N251 PolarHBondContact O-N 3.03Å; N251-L256 PolarHBondContact ND2-O 3.16Å; N251-Q261 PolarHBondContact ND2-OE1 3.42Å |
| 252 | H | 83.6 | Confident | 81.7 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 33% | 0.333 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -55 | 142.7 | 169.7 | -84.8 | -66 | 0 | 0 | 0 | 111.1 | E244 N245 M254 E255 H284 | E244-H252 CarbonylContact O-C 3.55Å; E244-H252 WeakPolarHBondContact O-CA 3.48Å; N245-H252 PolarHBondContact OD1-CE1 3.14Å; N245-H252 PolarHBondContact OD1-ND1 3.12Å; N245-H252 VanDerWaalsContact OD1-ND1 3.13Å; H252-M254 PolarHBondContact O-N 3.08Å; H252-E255 HydrophobicContact CB-CB 4.15Å; H252-E255 HydrophobicContact CB-CG 3.85Å; H252-E255 WeakPolarHBondContact O-CB 3.36Å; H252-E255 PolarHBondContact O-N 2.96Å; H252-H284 PolarHBondContact O-CE1 3.2Å; H252-H284 PolarHBondContact O-NE2 3.34Å |
| 253 | I | 83.3 | Confident | 82.6 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -24.3 | 179.9 | -163.1 | 159.9 | 0 | 0 | 0 | 113.1 | I241 E244 V274 H284 | I241-I253 HydrophobicContact CD1-CG2 4.4Å; E244-I253 PolarHBondContact O-N 2.94Å; I253-V274 HydrophobicContact CD1-CG1 3.55Å; I253-V274 HydrophobicContact CG1-CB 4.34Å; I253-V274 HydrophobicContact CG1-CG1 3.61Å; I253-V274 HydrophobicContact CG1-CG2 3.72Å; I253-V274 WeakPolarHBondContact O-CG2 3.47Å; I253-H284 PolarHBondContact O-NE2 2.97Å |
| 254 | M | 81.3 | Confident | 82.7 | Confident | 158 Ų | 158 | 66.1 Ų | 66.1 | 78% | 0.778 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -14 | 175.7 | -61.4 | -58.6 | -67.4 | 0 | 0 | 112.7 | H252 | H252-M254 PolarHBondContact O-N 3.08Š|
| 255 | E | 81.8 | Confident | 82.2 | Confident | 65 Ų | 65 | 65 Ų | 65 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -86.3 | 166.2 | 174.9 | -71.9 | -176 | 178.4 | 0 | 0 | 111 | R52 H252 H284 | R52-E255 IonicContact NH1-OE2 2.74Å; H252-E255 HydrophobicContact CB-CB 4.15Å; H252-E255 HydrophobicContact CB-CG 3.85Å; H252-E255 WeakPolarHBondContact O-CB 3.36Å; H252-E255 PolarHBondContact O-N 2.96Å; E255-H284 PolarHBondContact O-CD2 3.23Å; E255-H284 PolarHBondContact O-NE2 2.99Å |
| 256 | L | 84.1 | Confident | 81.2 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 148.4 | 172 | -64.2 | 93 | 0 | 0 | 0 | 109.9 | N251 C260 N269 | N251-L256 PolarHBondContact ND2-O 3.16Å; L256-C260 HydrophobicContact CB-CB 3.93Å; L256-C260 HydrophobicContact CD2-CB 3.91Å; L256-N269 HydrophobicContact CD2-CB 4.02Å |
| 257 | C | 88 | Confident | 79.7 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 160.1 | 172.6 | 73.8 | 0 | 0 | 0 | 0 | 111.8 | E259 C260 Q261 C272 H284 C287 | C257-E259 PolarHBondContact O-N 3.2Å; C257-E259 VanDerWaalsContact O-N 3.13Å; C257-C260 PolarHBondContact O-N 3.06Å; C257-C260 PolarHBondContact SG-N 2.86Å; C257-Q261 WeakPolarHBondContact O-CB 3.46Å; C257-Q261 PolarHBondContact O-N 3.29Å; C257-C272 PolarHBondContact N-SG 2.82Å; C257-C272 VanDerWaalsContact N-SG 3.41Å; C257-C272 PolarHBondContact SG-SG 2.83Å; C257-H284 HydrophobicContact CB-CB 3.88Å; C257-C287 VanDerWaalsContact CB-SG 3.54Å |
| 258 | I | 85.6 | Confident | 78.4 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -52 | -39.4 | -179.5 | -68.1 | 171.3 | 0 | 0 | 0 | 112.3 | C249 Q261 A262 | C249-I258 HydrophobicContact CB-CD1 3.88Å; C249-I258 HydrophobicContact CB-CG1 3.96Å; C249-I258 WeakPolarHBondContact O-CD1 3.28Å; I258-Q261 PolarHBondContact O-N 3.46Å; I258-A262 WeakPolarHBondContact O-CB 3.33Å; I258-A262 PolarHBondContact O-N 2.78Å |
| 259 | E | 83.7 | Confident | 77.2 | Confident | 83 Ų | 83 | 71.4 Ų | 71.4 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | -179.7 | -62.2 | 178 | 168.8 | 0 | 0 | 111.8 | C257 A262 A263 R290 | C257-E259 PolarHBondContact O-N 3.2Å; C257-E259 VanDerWaalsContact O-N 3.13Å; E259-A262 PolarHBondContact O-N 3.4Å; E259-A263 VanDerWaalsContact O-CB 3.3Å; E259-A263 WeakPolarHBondContact O-CB 3.47Å; E259-A263 PolarHBondContact O-N 2.88Å; E259-R290 VanDerWaalsContact OE1-CD 3.25Å; E259-R290 WeakPolarHBondContact OE1-CD 3.26Å; E259-R290 IonicContact OE1-CZ 3.96Å; E259-R290 IonicContact OE1-NE 2.81Å; E259-R290 IonicContact OE1-NH1 2.68Å; E259-R290 PolarHBondContact OE1-NH1 3.13Å |
| 260 | C | 86.3 | Confident | 76.1 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -72.8 | -32 | 175.6 | -73.8 | 0 | 0 | 0 | 0 | 112.3 | L256 C257 A263 R264 N269 C272 H286 | L256-C260 HydrophobicContact CB-CB 3.93Å; L256-C260 HydrophobicContact CD2-CB 3.91Å; C257-C260 PolarHBondContact O-N 3.06Å; C257-C260 PolarHBondContact SG-N 2.86Å; C260-A263 CarbonylContact O-C 3.52Å; C260-A263 PolarHBondContact O-N 3.46Å; C260-R264 WeakPolarHBondContact O-CG 3.32Å; C260-R264 PolarHBondContact O-N 2.93Å; C260-R264 VanDerWaalsContact O-N 3.16Å; C260-N269 WeakPolarHBondContact CB-OD1 3.04Å; C260-N269 PolarHBondContact O-OD1 3.03Å; C260-C272 HydrophobicContact CB-CB 4.26Å; C260-H286 PolarHBondContact SG-CE1 2.98Å; C260-H286 PolarHBondContact SG-ND1 3.49Å |
| 261 | Q | 83 | Confident | 75.2 | Confident | 65 Ų | 65 | 76 Ų | 76 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 174 | -172.8 | 177.2 | -13.1 | 0 | 0 | 111.5 | N251 C257 I258 A263 R264 | N251-Q261 PolarHBondContact ND2-OE1 3.42Å; C257-Q261 WeakPolarHBondContact O-CB 3.46Å; C257-Q261 PolarHBondContact O-N 3.29Å; I258-Q261 PolarHBondContact O-N 3.46Å; Q261-A263 VanDerWaalsContact C-N 3.34Å; Q261-R264 WeakPolarHBondContact O-CB 3.36Å; Q261-R264 VanDerWaalsContact O-CG 3.27Å; Q261-R264 WeakPolarHBondContact O-CG 3.45Å; Q261-R264 PolarHBondContact O-N 2.77Å |
| 262 | A | 77.9 | Confident | 75 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 74% | 0.744 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69.1 | -32.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I258 E259 R264 | I258-A262 WeakPolarHBondContact O-CB 3.33Å; I258-A262 PolarHBondContact O-N 2.78Å; E259-A262 PolarHBondContact O-N 3.4Å; A262-R264 VanDerWaalsContact C-N 3.28Å; A262-R264 PolarHBondContact O-N 3.07Å |
| 263 | A | 76.6 | Confident | 75.1 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 22% | 0.223 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 15.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E259 C260 Q261 G265 T266 | E259-A263 VanDerWaalsContact O-CB 3.3Å; E259-A263 WeakPolarHBondContact O-CB 3.47Å; E259-A263 PolarHBondContact O-N 2.88Å; C260-A263 CarbonylContact O-C 3.52Å; C260-A263 PolarHBondContact O-N 3.46Å; Q261-A263 VanDerWaalsContact C-N 3.34Å; A263-G265 PolarHBondContact O-N 3.39Å; A263-T266 PolarHBondContact O-N 3.26Å; A263-T266 VanDerWaalsContact O-N 3.12Å; A263-T266 PolarHBondContact O-OG1 3.15Å |
| 264 | R | 65.1 | Low | 75.2 | Confident | 153 Ų | 153 | 78.6 Ų | 78.6 | 58% | 0.577 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 82.7 | 173.8 | -76.7 | -179.5 | -179.4 | -158.8 | 4 | 109.9 | C260 Q261 A262 | C260-R264 WeakPolarHBondContact O-CG 3.32Å; C260-R264 PolarHBondContact O-N 2.93Å; C260-R264 VanDerWaalsContact O-N 3.16Å; Q261-R264 WeakPolarHBondContact O-CB 3.36Å; Q261-R264 VanDerWaalsContact O-CG 3.27Å; Q261-R264 WeakPolarHBondContact O-CG 3.45Å; Q261-R264 PolarHBondContact O-N 2.77Å; A262-R264 VanDerWaalsContact C-N 3.28Å; A262-R264 PolarHBondContact O-N 3.07Å |
| 265 | G | 61.4 | Low | 75.5 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 77% | 0.773 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 160.2 | -21.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A263 | A263-G265 PolarHBondContact O-N 3.39Š|
| 266 | T | 62.3 | Low | 75.7 | Confident | 101 Ų | 101 | 72 Ų | 72 | 62% | 0.62 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -105.6 | 11.9 | -171.9 | 59.6 | 0 | 0 | 0 | 0 | 115.1 | A263 T268 | A263-T266 PolarHBondContact O-N 3.26Å; A263-T266 VanDerWaalsContact O-N 3.12Å; A263-T266 PolarHBondContact O-OG1 3.15Å; T266-T268 VanDerWaalsContact C-N 3.28Å; T266-T268 PolarHBondContact O-N 3.49Å; T266-T268 VanDerWaalsContact O-N 3.14Å |
| 267 | G | 57.1 | Low | 75.9 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 59% | 0.588 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 74.1 | -1.5 | 168 | 0 | 0 | 0 | 0 | 0 | 117.1 | N269 | G267-N269 VanDerWaalsContact C-N 3.34Å; G267-N269 PolarHBondContact O-N 3.1Å |
| 268 | T | 57.6 | Low | 75.7 | Confident | 102 Ų | 102 | 74.4 Ų | 74.4 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | trans | -93.6 | 21.3 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | T266 E270 | T266-T268 VanDerWaalsContact C-N 3.28Å; T266-T268 PolarHBondContact O-N 3.49Å; T266-T268 VanDerWaalsContact O-N 3.14Å; T268-E270 VanDerWaalsContact C-N 3.27Å; T268-E270 PolarHBondContact O-N 3.24Å | ||
| 269 | N | 60.5 | Low | 75.7 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 25% | 0.251 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -74.2 | -11.9 | -178.3 | -69.5 | -54.6 | 0 | 0 | 0 | 114.5 | L256 C260 G267 K271 C272 | L256-N269 HydrophobicContact CD2-CB 4.02Å; C260-N269 WeakPolarHBondContact CB-OD1 3.04Å; C260-N269 PolarHBondContact O-OD1 3.03Å; G267-N269 VanDerWaalsContact C-N 3.34Å; G267-N269 PolarHBondContact O-N 3.1Å; N269-K271 PolarHBondContact O-N 2.78Å; N269-C272 PolarHBondContact O-N 3.4Å |
| 270 | E | 66 | Low | 75.6 | Confident | 175 Ų | 175 | 71.2 Ų | 71.2 | 82% | 0.818 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -62.7 | -15 | -170.2 | -62.2 | -177.6 | 160.4 | 0 | 0 | 115 | T268 | T268-E270 VanDerWaalsContact C-N 3.27Å; T268-E270 PolarHBondContact O-N 3.24Å |
| 271 | K | 68.6 | Low | 75.7 | Confident | 148 Ų | 148 | 73.2 Ų | 73.2 | 64% | 0.643 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -107.6 | 3.3 | -176.2 | -66.6 | 177.9 | -176.7 | 172.7 | 0 | 114.5 | N269 T273 L285 | N269-K271 PolarHBondContact O-N 2.78Å; K271-T273 PolarHBondContact O-N 3.46Å; K271-L285 WeakPolarHBondContact O-CD2 3.11Å |
| 272 | C | 80.8 | Confident | 75.9 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | trans | -81.2 | 64.3 | 178.8 | -153.7 | 0 | 0 | 0 | 0 | 111.7 | C257 C260 N269 | C257-C272 PolarHBondContact N-SG 2.82Å; C257-C272 VanDerWaalsContact N-SG 3.41Å; C257-C272 PolarHBondContact SG-SG 2.83Å; C260-C272 HydrophobicContact CB-CB 4.26Å; N269-C272 PolarHBondContact O-N 3.4Å | ||
| 273 | T | 85.5 | Confident | 76.5 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 166.9 | 175.4 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | K271 L285 | K271-T273 PolarHBondContact O-N 3.46Å; T273-L285 WeakPolarHBondContact O-CB 3.46Å; T273-L285 PolarHBondContact O-N 3.19Å |
| 274 | V | 86.7 | Confident | 77.2 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.2 | 175.6 | -176.8 | 0 | 0 | 0 | 0 | 110 | I253 W276 | I253-V274 HydrophobicContact CD1-CG1 3.55Å; I253-V274 HydrophobicContact CG1-CB 4.34Å; I253-V274 HydrophobicContact CG1-CG1 3.61Å; I253-V274 HydrophobicContact CG1-CG2 3.72Å; I253-V274 WeakPolarHBondContact O-CG2 3.47Å; V274-W276 HydrophobicContact CG1-CZ2 4.25Å |
| 275 | A | 86.8 | Confident | 78.3 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G282 F283 L285 I288 F307 | A275-G282 WeakPolarHBondContact O-CA 3.29Å; A275-F283 PolarHBondContact N-O 3.34Å; A275-F283 PolarHBondContact O-N 3.07Å; A275-L285 HydrophobicContact CB-CB 4.45Å; A275-L285 HydrophobicContact CB-CD1 3.94Å; A275-I288 HydrophobicContact CB-CG2 4Å; A275-F307 HydrophobicContact CB-CD1 4.36Å; A275-F307 HydrophobicContact CB-CE1 4.03Å |
| 276 | W | 87 | Confident | 79.6 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 29% | 0.288 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135 | 179.4 | -67.6 | 91.2 | 0 | 0 | 0 | 111.2 | I241 V274 N280 K308 | I241-W276 HydrophobicContact CB-CH2 4.18Å; I241-W276 HydrophobicContact CD1-CH2 4Å; I241-W276 HydrophobicContact CD1-CZ2 4.03Å; I241-W276 HydrophobicContact CG1-CH2 3.71Å; I241-W276 HydrophobicContact CG1-CZ2 4.17Å; I241-W276 HydrophobicContact CG2-CH2 3.82Å; V274-W276 HydrophobicContact CG1-CZ2 4.25Å; W276-N280 WeakPolarHBondContact CZ3-O 3.47Å; W276-K308 HydrophobicContact CB-CB 4.27Å; W276-K308 WeakPolarHBondContact O-CB 3.49Å; W276-K308 PolarHBondContact O-N 2.69Å |
| 277 | G | 86.6 | Confident | 81 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -86.9 | 161.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | C279 N280 H281 W305 K306 | G277-C279 PolarHBondContact O-N 3.38Å; G277-N280 WeakPolarHBondContact O-CA 3.42Å; G277-N280 PolarHBondContact O-N 2.89Å; G277-H281 PolarHBondContact N-O 2.95Å; G277-W305 VanDerWaalsContact N-CH2 3.35Å; G277-K306 CarbonylContact C-O 3.57Å; G277-K306 WeakPolarHBondContact CA-O 3.27Å |
| 278 | D | 83.7 | Confident | 82.6 | Confident | 102 Ų | 102 | 51.8 Ų | 51.8 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.4 | 169.3 | -74.5 | -22.5 | 0 | 0 | 0 | 112.4 | N280 K306 K308 | D278-N280 PolarHBondContact O-N 3.45Å; D278-K306 HydrophobicContact CB-CB 4.39Å; D278-K306 PolarHBondContact N-O 3.12Å; D278-K306 WeakPolarHBondContact OD2-CB 3.25Å; D278-K308 WeakPolarHBondContact OD1-CA 3.39Å |
| 279 | C | 85.6 | Confident | 84.1 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 0.3 | 170.3 | 57 | 0 | 0 | 0 | 0 | 114.3 | G277 H281 C298 D301 | G277-C279 PolarHBondContact O-N 3.38Å; C279-H281 PolarHBondContact O-N 3.44Å; C279-H281 PolarHBondContact SG-ND1 3.09Å; C279-H281 VanDerWaalsContact SG-ND1 3.44Å; C279-C298 VanDerWaalsContact SG-SG 3.67Å; C279-D301 WeakPolarHBondContact CB-OD2 3.42Å |
| 280 | N | 83.3 | Confident | 85.5 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 62.4 | 21.3 | -176.7 | -156.2 | 64.4 | 0 | 0 | 0 | 114.6 | W276 G277 D278 | W276-N280 WeakPolarHBondContact CZ3-O 3.47Å; G277-N280 WeakPolarHBondContact O-CA 3.42Å; G277-N280 PolarHBondContact O-N 2.89Å; D278-N280 PolarHBondContact O-N 3.45Å |
| 281 | H | 86.8 | Confident | 86.7 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 23% | 0.227 | 25% | 0.25 | C | S | . | . | trans | -91.2 | 137.5 | 167.3 | -63.2 | 125.6 | 0 | 0 | 0 | 110.5 | G277 C279 F283 L300 | G277-H281 PolarHBondContact N-O 2.95Å; C279-H281 PolarHBondContact O-N 3.44Å; C279-H281 PolarHBondContact SG-ND1 3.09Å; C279-H281 VanDerWaalsContact SG-ND1 3.44Å; H281-F283 HydrophobicContact CB-CE2 3.9Å; H281-F283 HydrophobicContact CB-CZ 4.05Å; H281-L300 HydrophobicContact CB-CD1 4.02Å; H281-L300 VanDerWaalsContact CD2-CD1 3.44Å; H281-L300 WeakPolarHBondContact CD2-CD1 3.27Å | ||
| 282 | G | 87.9 | Confident | 87.7 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A275 | A275-G282 WeakPolarHBondContact O-CA 3.29Å |
| 283 | F | 90.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 159.9 | 173.9 | -55.7 | -73 | 0 | 0 | 0 | 109.8 | A247 V248 A275 H281 L285 I288 P299 L300 W305 | A247-F283 HydrophobicContact CB-CE1 3.77Å; V248-F283 HydrophobicContact CG2-CD1 4.29Å; A275-F283 PolarHBondContact N-O 3.34Å; A275-F283 PolarHBondContact O-N 3.07Å; H281-F283 HydrophobicContact CB-CE2 3.9Å; H281-F283 HydrophobicContact CB-CZ 4.05Å; F283-L285 PolarHBondContact O-N 3.33Å; F283-I288 HydrophobicContact CB-CB 4.2Å; F283-I288 HydrophobicContact CD2-CD1 4.13Å; F283-P299 HydrophobicContact CE1-CG 4.44Å; F283-P299 HydrophobicContact CE2-CG 4.41Å; F283-P299 HydrophobicContact CZ-CB 4.36Å; F283-P299 HydrophobicContact CZ-CG 4.08Å; F283-L300 HydrophobicContact CE1-CD1 4.02Å; F283-L300 HydrophobicContact CE1-CG 4.39Å; F283-L300 HydrophobicContact CZ-CD1 3.71Å; F283-L300 HydrophobicContact CZ-CG 4.02Å; F283-W305 AromaticContact CD2-CH2 3.52Å; F283-W305 HydrophobicContact CD2-CH2 3.52Å; F283-W305 HydrophobicContact CD2-CZ2 4.44Å; F283-W305 AromaticContact CD2-CZ3 3.72Å; F283-W305 HydrophobicContact CD2-CZ3 3.72Å; F283-W305 HydrophobicContact CE2-CE3 4.45Å; F283-W305 AromaticContact CE2-CH2 3.82Å; F283-W305 HydrophobicContact CE2-CH2 3.82Å; F283-W305 AromaticContact CE2-CZ3 3.51Å; F283-W305 HydrophobicContact CE2-CZ3 3.51Å |
| 284 | H | 90.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 140.8 | 167.5 | -53.7 | 115.8 | 0 | 0 | 0 | 110.5 | C249 H252 I253 E255 C257 H286 C287 I288 | C249-H284 PolarHBondContact SG-CE1 3.27Å; C249-H284 PolarHBondContact SG-ND1 3.5Å; H252-H284 PolarHBondContact O-CE1 3.2Å; H252-H284 PolarHBondContact O-NE2 3.34Å; I253-H284 PolarHBondContact O-NE2 2.97Å; E255-H284 PolarHBondContact O-CD2 3.23Å; E255-H284 PolarHBondContact O-NE2 2.99Å; C257-H284 HydrophobicContact CB-CB 3.88Å; H284-H286 VanDerWaalsContact C-N 3.26Å; H284-H286 PolarHBondContact O-N 3.16Å; H284-C287 HydrophobicContact CB-CB 4.11Å; H284-C287 WeakPolarHBondContact O-CB 3.45Å; H284-C287 PolarHBondContact O-N 3.47Å; H284-I288 PolarHBondContact O-N 2.96Å |
| 285 | L | 89.9 | Confident | 88.2 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.1 | -42.2 | -179 | -176 | 67.1 | 0 | 0 | 0 | 111.7 | K271 T273 A275 F283 I288 S289 F307 | K271-L285 WeakPolarHBondContact O-CD2 3.11Å; T273-L285 WeakPolarHBondContact O-CB 3.46Å; T273-L285 PolarHBondContact O-N 3.19Å; A275-L285 HydrophobicContact CB-CB 4.45Å; A275-L285 HydrophobicContact CB-CD1 3.94Å; F283-L285 PolarHBondContact O-N 3.33Å; L285-I288 WeakPolarHBondContact O-CG2 3.31Å; L285-S289 WeakPolarHBondContact O-CB 3.43Å; L285-S289 PolarHBondContact O-N 3.42Å; L285-S289 PolarHBondContact O-OG 3.28Å; L285-F307 HydrophobicContact CD1-CE1 4.26Å |
| 286 | H | 89.1 | Confident | 88.3 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 21% | 0.208 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 177.4 | -61.8 | 158.1 | 0 | 0 | 0 | 112.5 | C260 H284 S289 R290 | C260-H286 PolarHBondContact SG-CE1 2.98Å; C260-H286 PolarHBondContact SG-ND1 3.49Å; H284-H286 VanDerWaalsContact C-N 3.26Å; H284-H286 PolarHBondContact O-N 3.16Å; H286-S289 PolarHBondContact O-N 3.45Å; H286-R290 WeakPolarHBondContact O-CB 3.42Å; H286-R290 PolarHBondContact O-N 3.38Å |
| 287 | C | 90.7 | Very high | 88.6 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 179.4 | -68 | 0 | 0 | 0 | 0 | 111.8 | V248 C249 C257 H284 R290 W291 | V248-C287 HydrophobicContact CB-CB 3.89Å; V248-C287 HydrophobicContact CG1-CB 3.91Å; V248-C287 HydrophobicContact CG2-CB 4.42Å; C249-C287 VanDerWaalsContact SG-SG 3.7Å; C257-C287 VanDerWaalsContact CB-SG 3.54Å; H284-C287 HydrophobicContact CB-CB 4.11Å; H284-C287 WeakPolarHBondContact O-CB 3.45Å; H284-C287 PolarHBondContact O-N 3.47Å; C287-R290 PolarHBondContact O-N 3.17Å; C287-W291 WeakPolarHBondContact O-CB 3.23Å; C287-W291 PolarHBondContact O-N 3.25Å |
| 288 | I | 90.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.3 | -38.7 | 178.8 | -167.6 | 62.6 | 0 | 0 | 0 | 112 | A275 F283 H284 L285 R290 W291 L292 W305 F307 | A275-I288 HydrophobicContact CB-CG2 4Å; F283-I288 HydrophobicContact CB-CB 4.2Å; F283-I288 HydrophobicContact CD2-CD1 4.13Å; H284-I288 PolarHBondContact O-N 2.96Å; L285-I288 WeakPolarHBondContact O-CG2 3.31Å; I288-R290 VanDerWaalsContact C-N 3.26Å; I288-R290 PolarHBondContact O-N 3.17Å; I288-W291 HydrophobicContact CD1-CB 4.43Å; I288-W291 WeakPolarHBondContact O-CB 3.49Å; I288-W291 PolarHBondContact O-N 3.43Å; I288-W291 VanDerWaalsContact O-N 3.12Å; I288-L292 HydrophobicContact CD1-CG 4.39Å; I288-L292 HydrophobicContact CG1-CD1 4.1Å; I288-L292 HydrophobicContact CG1-CG 4.18Å; I288-L292 WeakPolarHBondContact O-CB 3.34Å; I288-L292 VanDerWaalsContact O-CG 3.23Å; I288-L292 WeakPolarHBondContact O-CG 3.41Å; I288-L292 PolarHBondContact O-N 3.36Å; I288-W305 HydrophobicContact CB-CZ2 4.49Å; I288-W305 HydrophobicContact CD1-CD2 3.77Å; I288-W305 HydrophobicContact CD1-CE3 3.95Å; I288-W305 HydrophobicContact CD1-CG 4.34Å; I288-W305 HydrophobicContact CD1-CH2 4.25Å; I288-W305 HydrophobicContact CD1-CZ2 4.08Å; I288-W305 HydrophobicContact CD1-CZ3 4.2Å; I288-W305 HydrophobicContact CG1-CD2 3.91Å; I288-W305 VanDerWaalsContact CG1-CE2 3.44Å; I288-W305 HydrophobicContact CG1-CE3 4.44Å; I288-W305 HydrophobicContact CG1-CG 4.45Å; I288-W305 HydrophobicContact CG1-CH2 4.17Å; I288-W305 HydrophobicContact CG1-CZ2 3.58Å; I288-F307 HydrophobicContact CG2-CE1 4.23Å; I288-F307 HydrophobicContact CG2-CZ 4.48Å |
| 289 | S | 89.2 | Confident | 88.9 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 177 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | L285 H286 | L285-S289 WeakPolarHBondContact O-CB 3.43Å; L285-S289 PolarHBondContact O-N 3.42Å; L285-S289 PolarHBondContact O-OG 3.28Å; H286-S289 PolarHBondContact O-N 3.45Å |
| 290 | R | 89 | Confident | 88.9 | Confident | 164 Ų | 164 | 61 Ų | 61 | 62% | 0.619 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.8 | -41.7 | 174.2 | -174.4 | 173.1 | -177.3 | 132.4 | 4 | 111.8 | E259 H286 C287 I288 K293 | E259-R290 VanDerWaalsContact OE1-CD 3.25Å; E259-R290 WeakPolarHBondContact OE1-CD 3.26Å; E259-R290 IonicContact OE1-CZ 3.96Å; E259-R290 IonicContact OE1-NE 2.81Å; E259-R290 IonicContact OE1-NH1 2.68Å; E259-R290 PolarHBondContact OE1-NH1 3.13Å; H286-R290 WeakPolarHBondContact O-CB 3.42Å; H286-R290 PolarHBondContact O-N 3.38Å; C287-R290 PolarHBondContact O-N 3.17Å; I288-R290 VanDerWaalsContact C-N 3.26Å; I288-R290 PolarHBondContact O-N 3.17Å; R290-K293 PolarHBondContact O-N 3.18Å |
| 291 | W | 90.9 | Very high | 89.1 | Confident | 79 Ų | 79 | 59.7 Ų | 59.7 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 177.9 | -176.4 | -92.5 | 0 | 0 | 0 | 112.6 | C287 I288 K293 T294 R295 V297 P299 | C287-W291 WeakPolarHBondContact O-CB 3.23Å; C287-W291 PolarHBondContact O-N 3.25Å; I288-W291 HydrophobicContact CD1-CB 4.43Å; I288-W291 WeakPolarHBondContact O-CB 3.49Å; I288-W291 PolarHBondContact O-N 3.43Å; I288-W291 VanDerWaalsContact O-N 3.12Å; W291-K293 PolarHBondContact O-N 2.71Å; W291-T294 PolarHBondContact O-N 3.02Å; W291-R295 PolarHBondContact O-N 3.37Å; W291-V297 VanDerWaalsContact CD1-O 3.29Å; W291-V297 PolarHBondContact NE1-O 3.05Å; W291-P299 HydrophobicContact CD2-CG 4Å; W291-P299 HydrophobicContact CG-CG 4.14Å; W291-P299 HydrophobicContact CZ2-CB 4.22Å; W291-P299 HydrophobicContact CZ2-CG 4.24Å |
| 292 | L | 89.7 | Confident | 89.1 | Confident | 48 Ų | 48 | 63 Ų | 63 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -22.9 | -179.8 | -69.6 | 172.4 | 0 | 0 | 0 | 114.3 | I288 T294 R295 W305 F307 | I288-L292 HydrophobicContact CD1-CG 4.39Å; I288-L292 HydrophobicContact CG1-CD1 4.1Å; I288-L292 HydrophobicContact CG1-CG 4.18Å; I288-L292 WeakPolarHBondContact O-CB 3.34Å; I288-L292 VanDerWaalsContact O-CG 3.23Å; I288-L292 WeakPolarHBondContact O-CG 3.41Å; I288-L292 PolarHBondContact O-N 3.36Å; L292-T294 PolarHBondContact O-N 3.13Å; L292-R295 WeakPolarHBondContact CA-O 3.3Å; L292-W305 HydrophobicContact CD1-CG 4.33Å; L292-W305 HydrophobicContact CD2-CB 3.56Å; L292-W305 HydrophobicContact CD2-CG 3.65Å; L292-W305 HydrophobicContact CG-CG 4.46Å; L292-F307 HydrophobicContact CD1-CE2 3.91Å; L292-F307 HydrophobicContact CD1-CZ 3.85Å |
| 293 | K | 89.2 | Confident | 89 | Confident | 187 Ų | 187 | 70.8 Ų | 70.8 | 81% | 0.813 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -28.2 | 172.8 | -68.1 | 177.8 | -179.2 | -178.3 | 0 | 112.4 | R290 W291 | R290-K293 PolarHBondContact O-N 3.18Å; W291-K293 PolarHBondContact O-N 2.71Å |
| 294 | T | 88 | Confident | 88.8 | Confident | 119 Ų | 119 | 76.5 Ų | 76.5 | 73% | 0.73 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -40.4 | -177.1 | -46 | 0 | 0 | 0 | 0 | 111.6 | W291 L292 | W291-T294 PolarHBondContact O-N 3.02Å; L292-T294 PolarHBondContact O-N 3.13Å |
| 295 | R | 87.7 | Confident | 88.8 | Confident | 152 Ų | 152 | 77.3 Ų | 77.3 | 57% | 0.574 | 37% | 0.366 | S | S | * | . | trans | -145.4 | 131.6 | -179.4 | -61.9 | -175.6 | -178.5 | 173.4 | 0.6 | 110.4 | W291 L292 V297 | W291-R295 PolarHBondContact O-N 3.37Å; L292-R295 WeakPolarHBondContact CA-O 3.3Å; R295-V297 HydrophobicContact CB-CG2 4.16Å; R295-V297 PolarHBondContact O-N 3.18Å | ||
| 296 | N | 89.1 | Confident | 88.6 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -81.4 | 19.5 | 178.2 | 67 | -31.4 | 0 | 0 | 0 | 114 | W305 | N296-W305 PolarHBondContact O-N 2.96Š|
| 297 | V | 92.6 | Very high | 88.4 | Confident | 32 Ų | 32 | 82.5 Ų | 82.5 | 19% | 0.194 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -114.5 | 149.5 | -178.4 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | W291 R295 R303 | W291-V297 VanDerWaalsContact CD1-O 3.29Å; W291-V297 PolarHBondContact NE1-O 3.05Å; R295-V297 HydrophobicContact CB-CG2 4.16Å; R295-V297 PolarHBondContact O-N 3.18Å; V297-R303 CarbonylContact C-O 3.49Å; V297-R303 VanDerWaalsContact CA-O 3.24Å; V297-R303 WeakPolarHBondContact CA-O 3.39Å; V297-R303 WeakPolarHBondContact CB-O 3.43Å |
| 298 | C | 90.3 | Very high | 88 | Confident | 1 Ų | 1 | 87.4 Ų | 87.4 | 1% | 0.007 | 41% | 0.406 | C | S | . | . | trans | -62.4 | 132.9 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | C279 L300 D301 N302 R303 W305 | C279-C298 VanDerWaalsContact SG-SG 3.67Å; C298-L300 PolarHBondContact O-N 3.29Å; C298-D301 WeakPolarHBondContact CB-OD1 3.32Å; C298-D301 PolarHBondContact SG-OD1 2.74Å; C298-N302 WeakPolarHBondContact O-CA 3.46Å; C298-N302 PolarHBondContact O-N 3.06Å; C298-N302 VanDerWaalsContact O-N 3.08Å; C298-R303 PolarHBondContact N-O 2.74Å; C298-W305 HydrophobicContact CB-CE3 3.8Å; C298-W305 HydrophobicContact CB-CZ3 4.33Å | ||
| 299 | P | 86.8 | Confident | 86.8 | Confident | 34 Ų | 34 | 96.6 Ų | 96.6 | 22% | 0.221 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.6 | 179.8 | -23.3 | 30.9 | 0 | 0 | 0 | 115.9 | V248 F283 W291 | V248-P299 HydrophobicContact CG2-CG 3.92Å; F283-P299 HydrophobicContact CE1-CG 4.44Å; F283-P299 HydrophobicContact CE2-CG 4.41Å; F283-P299 HydrophobicContact CZ-CB 4.36Å; F283-P299 HydrophobicContact CZ-CG 4.08Å; W291-P299 HydrophobicContact CD2-CG 4Å; W291-P299 HydrophobicContact CG-CG 4.14Å; W291-P299 HydrophobicContact CZ2-CB 4.22Å; W291-P299 HydrophobicContact CZ2-CG 4.24Å |
| 300 | L | 85.8 | Confident | 85.1 | Confident | 79 Ų | 79 | 97.4 Ų | 97.4 | 41% | 0.414 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -40.9 | -172.7 | -74.3 | 168.6 | 0 | 0 | 0 | 113.7 | V243 A247 H281 F283 C298 | V243-L300 HydrophobicContact CG2-CD1 4.28Å; A247-L300 HydrophobicContact CB-CD2 4.04Å; A247-L300 HydrophobicContact CB-CG 4.23Å; H281-L300 HydrophobicContact CB-CD1 4.02Å; H281-L300 VanDerWaalsContact CD2-CD1 3.44Å; H281-L300 WeakPolarHBondContact CD2-CD1 3.27Å; F283-L300 HydrophobicContact CE1-CD1 4.02Å; F283-L300 HydrophobicContact CE1-CG 4.39Å; F283-L300 HydrophobicContact CZ-CD1 3.71Å; F283-L300 HydrophobicContact CZ-CG 4.02Å; C298-L300 PolarHBondContact O-N 3.29Å |
| 301 | D | 87.3 | Confident | 82.8 | Confident | 45 Ų | 45 | 96.2 Ų | 96.2 | 24% | 0.241 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 1.6 | -174.7 | 68.3 | -1.6 | 0 | 0 | 0 | 113.9 | C279 C298 R303 | C279-D301 WeakPolarHBondContact CB-OD2 3.42Å; C298-D301 WeakPolarHBondContact CB-OD1 3.32Å; C298-D301 PolarHBondContact SG-OD1 2.74Å; D301-R303 HydrophobicContact CB-CG 4.27Å; D301-R303 PolarHBondContact O-N 2.9Å; D301-R303 PolarHBondContact OD1-N 3.13Å; D301-R303 VanDerWaalsContact OD1-N 3.09Å; D301-R303 WeakPolarHBondContact OD2-CD 3.4Å; D301-R303 IonicContact OD2-NE 3.54Å |
| 302 | N | 85.9 | Confident | 80 | Confident | 120 Ų | 120 | 105.3 Ų | 105.3 | 64% | 0.642 | 52% | 0.515 | S | S | * | . | trans | 53.5 | 16.5 | -176.1 | -72.9 | -31.2 | 0 | 0 | 0 | 114.8 | C298 | C298-N302 WeakPolarHBondContact O-CA 3.46Å; C298-N302 PolarHBondContact O-N 3.06Å; C298-N302 VanDerWaalsContact O-N 3.08Å | ||
| 303 | R | 86.9 | Confident | 79.5 | Confident | 172 Ų | 172 | 108.2 Ų | 108.2 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 153.9 | 174.8 | -61.9 | -177 | -169.5 | -175.4 | 2.4 | 110.1 | V297 C298 D301 W305 | V297-R303 CarbonylContact C-O 3.49Å; V297-R303 VanDerWaalsContact CA-O 3.24Å; V297-R303 WeakPolarHBondContact CA-O 3.39Å; V297-R303 WeakPolarHBondContact CB-O 3.43Å; C298-R303 PolarHBondContact N-O 2.74Å; D301-R303 HydrophobicContact CB-CG 4.27Å; D301-R303 PolarHBondContact O-N 2.9Å; D301-R303 PolarHBondContact OD1-N 3.13Å; D301-R303 VanDerWaalsContact OD1-N 3.09Å; D301-R303 WeakPolarHBondContact OD2-CD 3.4Å; D301-R303 IonicContact OD2-NE 3.54Å; R303-W305 PolarHBondContact O-N 3.12Å |
| 304 | E | 86.6 | Confident | 79 | Confident | 120 Ų | 120 | 104.1 Ų | 104.1 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | B | Isolated β-bridge | trans | -54.1 | 126.2 | 173.8 | -172.9 | -176.1 | -152.4 | 0 | 0 | 110 | K306 | E304-K306 PolarHBondContact O-N 3.03Å; E304-K306 WeakPolarHBondContact OE2-CE 3Å; E304-K306 IonicContact OE2-NZ 3.51Å |
| 305 | W | 88.6 | Confident | 78.5 | Confident | 19 Ų | 19 | 103.2 Ų | 103.2 | 7% | 0.072 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 116.7 | -176.9 | -179.8 | -93.6 | 0 | 0 | 0 | 110.5 | G277 F283 I288 L292 N296 C298 R303 F307 | G277-W305 VanDerWaalsContact N-CH2 3.35Å; F283-W305 AromaticContact CD2-CH2 3.52Å; F283-W305 HydrophobicContact CD2-CH2 3.52Å; F283-W305 HydrophobicContact CD2-CZ2 4.44Å; F283-W305 AromaticContact CD2-CZ3 3.72Å; F283-W305 HydrophobicContact CD2-CZ3 3.72Å; F283-W305 HydrophobicContact CE2-CE3 4.45Å; F283-W305 AromaticContact CE2-CH2 3.82Å; F283-W305 HydrophobicContact CE2-CH2 3.82Å; F283-W305 AromaticContact CE2-CZ3 3.51Å; F283-W305 HydrophobicContact CE2-CZ3 3.51Å; I288-W305 HydrophobicContact CB-CZ2 4.49Å; I288-W305 HydrophobicContact CD1-CD2 3.77Å; I288-W305 HydrophobicContact CD1-CE3 3.95Å; I288-W305 HydrophobicContact CD1-CG 4.34Å; I288-W305 HydrophobicContact CD1-CH2 4.25Å; I288-W305 HydrophobicContact CD1-CZ2 4.08Å; I288-W305 HydrophobicContact CD1-CZ3 4.2Å; I288-W305 HydrophobicContact CG1-CD2 3.91Å; I288-W305 VanDerWaalsContact CG1-CE2 3.44Å; I288-W305 HydrophobicContact CG1-CE3 4.44Å; I288-W305 HydrophobicContact CG1-CG 4.45Å; I288-W305 HydrophobicContact CG1-CH2 4.17Å; I288-W305 HydrophobicContact CG1-CZ2 3.58Å; L292-W305 HydrophobicContact CD1-CG 4.33Å; L292-W305 HydrophobicContact CD2-CB 3.56Å; L292-W305 HydrophobicContact CD2-CG 3.65Å; L292-W305 HydrophobicContact CG-CG 4.46Å; N296-W305 PolarHBondContact O-N 2.96Å; C298-W305 HydrophobicContact CB-CE3 3.8Å; C298-W305 HydrophobicContact CB-CZ3 4.33Å; R303-W305 PolarHBondContact O-N 3.12Å; W305-F307 HydrophobicContact CZ2-CD1 4.45Å; W305-F307 HydrophobicContact CZ2-CE1 4.45Å; W305-F307 AromaticContact NE1-CD1 3.77Å; W305-F307 AromaticContact NE1-CD2 3.87Å; W305-F307 AromaticContact NE1-CE1 3.63Å; W305-F307 AromaticContact NE1-CE2 3.73Å; W305-F307 AromaticContact NE1-CG 3.89Å; W305-F307 AromaticContact NE1-CZ 3.61Å |
| 306 | K | 86.5 | Confident | 78 | Confident | 111 Ų | 111 | 100.4 Ų | 100.4 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | trans | -120.5 | 124.6 | 170 | -67.8 | 179.5 | -176.6 | 172.9 | 0 | 108.4 | G277 D278 E304 K308 | G277-K306 CarbonylContact C-O 3.57Å; G277-K306 WeakPolarHBondContact CA-O 3.27Å; D278-K306 HydrophobicContact CB-CB 4.39Å; D278-K306 PolarHBondContact N-O 3.12Å; D278-K306 WeakPolarHBondContact OD2-CB 3.25Å; E304-K306 PolarHBondContact O-N 3.03Å; E304-K306 WeakPolarHBondContact OE2-CE 3Å; E304-K306 IonicContact OE2-NZ 3.51Å; K306-K308 PolarHBondContact O-N 2.96Å | ||
| 307 | F | 85.6 | Confident | 77.3 | Confident | 95 Ų | 95 | 100.4 Ų | 100.4 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | B | Isolated β-bridge | trans | -61.4 | 126.4 | 171.7 | -72 | -81 | 0 | 0 | 0 | 108.3 | A275 L285 I288 L292 W305 K309 | A275-F307 HydrophobicContact CB-CD1 4.36Å; A275-F307 HydrophobicContact CB-CE1 4.03Å; L285-F307 HydrophobicContact CD1-CE1 4.26Å; I288-F307 HydrophobicContact CG2-CE1 4.23Å; I288-F307 HydrophobicContact CG2-CZ 4.48Å; L292-F307 HydrophobicContact CD1-CE2 3.91Å; L292-F307 HydrophobicContact CD1-CZ 3.85Å; W305-F307 HydrophobicContact CZ2-CD1 4.45Å; W305-F307 HydrophobicContact CZ2-CE1 4.45Å; W305-F307 AromaticContact NE1-CD1 3.77Å; W305-F307 AromaticContact NE1-CD2 3.87Å; W305-F307 AromaticContact NE1-CE1 3.63Å; W305-F307 AromaticContact NE1-CE2 3.73Å; W305-F307 AromaticContact NE1-CG 3.89Å; W305-F307 AromaticContact NE1-CZ 3.61Å; F307-K309 VanDerWaalsContact C-N 3.3Å; F307-K309 PolarHBondContact O-N 3.48Å |
| 308 | K | 81.5 | Confident | 76.2 | Confident | 111 Ų | 111 | 105 Ų | 105 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | trans | -64.8 | 99.9 | 165.8 | -168.4 | 174.6 | -173.2 | 176.5 | 0 | 106 | W276 D278 K306 G310 | W276-K308 HydrophobicContact CB-CB 4.27Å; W276-K308 WeakPolarHBondContact O-CB 3.49Å; W276-K308 PolarHBondContact O-N 2.69Å; D278-K308 WeakPolarHBondContact OD1-CA 3.39Å; K306-K308 PolarHBondContact O-N 2.96Å; K308-G310 PolarHBondContact O-N 3.08Å | ||
| 309 | K | 65.2 | Low | 75.2 | Confident | 193 Ų | 193 | 112.4 Ų | 112.4 | 84% | 0.839 | 55% | 0.551 | S | S | * | * | trans | -53.3 | 117.6 | 177.2 | -74.5 | -178.5 | 179.5 | 177.1 | 0 | 106.7 | F307 V311 | F307-K309 VanDerWaalsContact C-N 3.3Å; F307-K309 PolarHBondContact O-N 3.48Å; K309-V311 PolarHBondContact O-N 3.39Å | ||
| 310 | G | 53.9 | Low | 74.4 | Confident | 65 Ų | 65 | 118.5 Ų | 118.5 | 67% | 0.67 | 58% | 0.576 | S | S | * | * | trans | -50.1 | 126.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | K308 K312 | K308-G310 PolarHBondContact O-N 3.08Å; G310-K312 PolarHBondContact O-N 3.42Å | ||
| 311 | V | 40 | Very low | 73.4 | Confident | 140 Ų | 140 | 121.8 Ų | 121.8 | 85% | 0.848 | 59% | 0.59 | S | S | * | * | trans | -53.1 | 112.8 | 156.1 | 177.9 | 0 | 0 | 0 | 0 | 104.3 | K309 | K309-V311 PolarHBondContact O-N 3.39Š| ||
| 312 | K | 32.9 | Very low | 72.1 | Confident | 270 Ų | 270 | 128.7 Ų | 128.7 | 100% | 1.174 | 62% | 0.622 | S | S | * | * | trans | -57 | 0 | 173 | -75.8 | -176 | 175 | -176.9 | 0 | 109.7 | G310 | G310-K312 PolarHBondContact O-N 3.42Š|
Retrieved 312 of 312 residues in 121.9 ms
(Link to these results)