| 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 | 43.8 | Very low | 44.7 | Very low | 217 Ų | 217 | 158.7 Ų | 158.7 | 100% | 1.069 | 82% | 0.821 | S | S | * | * | 0 | 64 | 0 | -59.9 | 175.4 | -175.8 | 0 | 0 | 107 | |||||
| 2 | E | 39.8 | Very low | 44.2 | Very low | 179 Ų | 179 | 158.8 Ų | 158.8 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | 67.5 | 132 | 61.5 | -64.9 | 149.9 | 105.6 | 0 | 0 | 111.4 | |||||
| 3 | E | 46 | Very low | 43.9 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | cis | -136.9 | 154.5 | 12.7 | -131.1 | -163.8 | 135.9 | 0 | 0 | 114.3 | ||||
| 4 | H | 46.6 | Very low | 43.7 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -96.3 | 147.4 | 162.7 | -74.2 | -127.9 | 0 | 0 | 0 | 109.2 | ||||
| 5 | K | 47.3 | Very low | 43.6 | Very low | 195 Ų | 195 | 152.5 Ų | 152.5 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -162.1 | 117 | 132.2 | -136.2 | 89.2 | 176.5 | -164.4 | 0 | 115.2 | ||||
| 6 | E | 49.2 | Very low | 43.4 | Very low | 159 Ų | 159 | 152.3 Ų | 152.3 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -64.5 | 174.7 | 149 | -78.7 | -77.6 | 138.8 | 0 | 0 | 110.1 | ||||
| 7 | P | 56.3 | Low | 43.3 | Very low | 114 Ų | 114 | 152 Ų | 152 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | cis | -151.1 | 177.5 | 30.5 | 43.6 | -21.5 | 0 | 0 | 0 | 120 | ||||
| 8 | S | 42.9 | Very low | 43.7 | Very low | 94 Ų | 94 | 150.1 Ų | 150.1 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | trans | -44.3 | 175.5 | 164.8 | 62.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 9 | S | 37.9 | Very low | 43.5 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 95.9 | 133.5 | 165.1 | 78.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 10 | G | 37.7 | Very low | 43.7 | Very low | 71 Ų | 71 | 148 Ų | 148 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | cis | 173.2 | 177.7 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 11 | R | 44.1 | Very low | 43.6 | Very low | 248 Ų | 248 | 148.8 Ų | 148.8 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | trans | 61.8 | 99.8 | 159.6 | -69.6 | 178.6 | 169.8 | 155.6 | -3.9 | 119.7 | ||||
| 12 | D | 39.4 | Very low | 44 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | -0.8 | 123 | 118.7 | -168 | -133.7 | 0 | 0 | 0 | 117.9 | |||||
| 13 | S | 39.8 | Very low | 44.6 | Very low | 83 Ų | 83 | 140.5 Ų | 140.5 | 58% | 0.58 | 78% | 0.779 | S | S | * | * | trans | 176.4 | 108.4 | 140.5 | -119.6 | 0 | 0 | 0 | 0 | 107.3 | E15 | S13-E15 PolarHBondContact OG-OE1 3.21Š| ||
| 14 | T | 41.4 | Very low | 44.4 | Very low | 150 Ų | 150 | 140 Ų | 140 | 92% | 0.92 | 78% | 0.781 | S | S | * | * | trans | -122.4 | 97.8 | 166.4 | -62.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 15 | E | 42.5 | Very low | 44.4 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -116.8 | 146.1 | 176.5 | 49.8 | -154.8 | 90.2 | 0 | 0 | 108.6 | S13 | S13-E15 PolarHBondContact OG-OE1 3.21Š| ||
| 16 | D | 40 | Very low | 44.5 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 11.6 | 137.7 | 174.6 | -88.7 | -92.9 | 0 | 0 | 0 | 120.5 | ||||
| 17 | E | 41.6 | Very low | 44.4 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | -163.6 | 141 | 70.7 | -170.7 | 172.9 | 74.3 | 0 | 0 | 112.9 | M19 | E17-M19 HydrophobicContact CG-CG 4.34Å; E17-M19 PolarHBondContact O-N 3.41Å; E17-M19 WeakPolarHBondContact OE1-CE 3.32Å | |||
| 18 | S | 49.9 | Very low | 44.1 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -82.5 | 98.9 | 175.4 | -67 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 19 | M | 41.2 | Very low | 44.2 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -114.4 | 105.4 | 169.8 | -71.7 | -133.8 | 175.9 | 0 | 0 | 112.7 | E17 L21 | E17-M19 HydrophobicContact CG-CG 4.34Å; E17-M19 PolarHBondContact O-N 3.41Å; E17-M19 WeakPolarHBondContact OE1-CE 3.32Å; M19-L21 PolarHBondContact O-N 2.79Å | ||
| 20 | S | 47 | Very low | 44.6 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -70.7 | 106.8 | 175.9 | 55.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 21 | L | 41.2 | Very low | 45.2 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -98.8 | 92.3 | 171.9 | -64.7 | -179.3 | 0 | 0 | 0 | 111.3 | M19 | M19-L21 PolarHBondContact O-N 2.79Š| ||
| 22 | S | 52.7 | Low | 45.4 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -74.9 | 129.5 | 164.2 | -67.2 | 0 | 0 | 0 | 0 | 110 | N24 | S22-N24 PolarHBondContact O-N 2.89Š| ||
| 23 | P | 51.7 | Low | 45.7 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | trans | -69 | 118.3 | 173.8 | 27.3 | -32.4 | 0 | 0 | 0 | 110.3 | L25 | P23-L25 PolarHBondContact O-N 3.28Š| ||
| 24 | N | 42.5 | Very low | 46.1 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -73.8 | 113.1 | -176.1 | -163 | -11.9 | 0 | 0 | 0 | 110.6 | S22 | S22-N24 PolarHBondContact O-N 2.89Š| ||
| 25 | L | 46.2 | Very low | 46.5 | Very low | 137 Ų | 137 | 135 Ų | 135 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 139.4 | 174.8 | -96.3 | 72.8 | 0 | 0 | 0 | 110.6 | P23 S27 | P23-L25 PolarHBondContact O-N 3.28Å; L25-S27 PolarHBondContact O-N 2.85Å |
| 26 | P | 50.2 | Low | 46.5 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 129.2 | 173.8 | 27.8 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 27 | S | 46.3 | Very low | 46.8 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 142.1 | 176.7 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | L25 A29 | L25-S27 PolarHBondContact O-N 2.85Å; S27-A29 PolarHBondContact O-N 3.41Å |
| 28 | P | 49.4 | Very low | 47.2 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 130.9 | 175 | 27.7 | -33.5 | 0 | 0 | 0 | 110.2 | M30 | P28-M30 PolarHBondContact O-N 3Š|
| 29 | A | 46.3 | Very low | 47.2 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 132.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S27 I31 | S27-A29 PolarHBondContact O-N 3.41Å; A29-I31 PolarHBondContact O-N 3.39Å |
| 30 | M | 45.1 | Very low | 47.6 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | trans | -60 | 107.7 | 174.4 | -71.4 | -70.9 | -165.1 | 0 | 0 | 109.8 | P28 L32 | P28-M30 PolarHBondContact O-N 3Å; M30-L32 PolarHBondContact O-N 3.19Å | ||
| 31 | I | 50.8 | Low | 47.9 | Very low | 158 Ų | 158 | 134 Ų | 134 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -69.6 | 106 | 171.5 | -66.4 | 175.1 | 0 | 0 | 0 | 107.6 | A29 | A29-I31 PolarHBondContact O-N 3.39Š| ||
| 32 | L | 47.4 | Very low | 48.6 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | trans | -54.7 | 124.5 | 170.9 | -170.7 | 73.6 | 0 | 0 | 0 | 108.8 | M30 H34 | M30-L32 PolarHBondContact O-N 3.19Å; L32-H34 PolarHBondContact O-N 3.16Å | ||
| 33 | P | 47.3 | Very low | 49.3 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -65.8 | 106.5 | -179.6 | 26.1 | -32.8 | 0 | 0 | 0 | 108.8 | ||||
| 34 | H | 47.9 | Very low | 50.4 | Low | 165 Ų | 165 | 137.4 Ų | 137.4 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -56.9 | 131.9 | 166.1 | -81.3 | 55.2 | 0 | 0 | 0 | 107.7 | L32 A36 | L32-H34 PolarHBondContact O-N 3.16Å; H34-A36 PolarHBondContact O-N 2.95Å | ||
| 35 | P | 48.2 | Very low | 51.8 | Low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -58.8 | 118.3 | 172.9 | 24.9 | -32.3 | 0 | 0 | 0 | 107.4 | A37 | P35-A37 PolarHBondContact O-N 2.93Š| ||
| 36 | A | 42.6 | Very low | 52.9 | Low | 87 Ų | 87 | 136.4 Ų | 136.4 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | -56.5 | 112.2 | 179 | 0 | 0 | 0 | 0 | 0 | 108.1 | H34 Q38 | H34-A36 PolarHBondContact O-N 2.95Å; A36-Q38 PolarHBondContact O-N 3.25Å | ||
| 37 | A | 47.7 | Very low | 54.4 | Low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -55.3 | 110.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | P35 Q39 | P35-A37 PolarHBondContact O-N 2.93Å; A37-Q39 VanDerWaalsContact C-N 3.3Å; A37-Q39 PolarHBondContact O-N 3.38Å | ||
| 38 | Q | 49.5 | Very low | 55.8 | Low | 187 Ų | 187 | 136.5 Ų | 136.5 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -62.8 | 94.9 | -174.8 | -68.5 | 177.4 | -7.9 | 0 | 0 | 108 | A36 A40 | A36-Q38 PolarHBondContact O-N 3.25Å; Q38-A40 PolarHBondContact O-N 2.94Å | ||
| 39 | Q | 50 | Low | 57.2 | Low | 178 Ų | 178 | 135.9 Ų | 135.9 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | trans | -66.5 | 94.1 | 170.3 | -69.4 | -170.2 | 9.5 | 0 | 0 | 106.1 | A37 H41 | A37-Q39 VanDerWaalsContact C-N 3.3Å; A37-Q39 PolarHBondContact O-N 3.38Å; Q39-H41 PolarHBondContact O-N 2.89Å | ||
| 40 | A | 49.3 | Very low | 58.4 | Low | 86 Ų | 86 | 134.9 Ų | 134.9 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -50.2 | 111.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q38 R42 | Q38-A40 PolarHBondContact O-N 2.94Å; A40-R42 PolarHBondContact O-N 3.43Å | ||
| 41 | H | 53.5 | Low | 59.9 | Low | 175 Ų | 175 | 129.3 Ų | 129.3 | 81% | 0.81 | 69% | 0.691 | S | S | * | * | trans | -53.6 | 117.8 | 178.5 | -76.1 | -101.3 | 0 | 0 | 0 | 107 | Q39 T43 | Q39-H41 PolarHBondContact O-N 2.89Å; H41-T43 PolarHBondContact O-N 3.2Å | ||
| 42 | R | 55.8 | Low | 61.3 | Low | 241 Ų | 241 | 127.9 Ų | 127.9 | 91% | 0.909 | 68% | 0.684 | S | S | * | * | trans | -70.8 | 80.5 | 171.9 | -72.4 | -171.8 | -179.5 | -94.5 | 1.3 | 107.6 | A40 T44 | A40-R42 PolarHBondContact O-N 3.43Å; R42-T44 VanDerWaalsContact C-N 3.27Å; R42-T44 PolarHBondContact O-N 3Å | ||
| 43 | T | 68.5 | Low | 62.7 | Low | 107 Ų | 107 | 128.6 Ų | 128.6 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | trans | -58.1 | 95.2 | 167.9 | -70.1 | 0 | 0 | 0 | 0 | 107.4 | H41 N45 | H41-T43 PolarHBondContact O-N 3.2Å; T43-N45 PolarHBondContact O-N 2.97Å | ||
| 44 | T | 74.7 | Confident | 64.2 | Low | 109 Ų | 109 | 129 Ų | 129 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | -61.3 | 131.8 | 158.7 | 58.3 | 0 | 0 | 0 | 0 | 106.3 | R42 F46 | R42-T44 VanDerWaalsContact C-N 3.27Å; R42-T44 PolarHBondContact O-N 3Å; T44-F46 PolarHBondContact O-N 3.32Å | ||
| 45 | N | 71.1 | Confident | 65.3 | Low | 126 Ų | 126 | 126.5 Ų | 126.5 | 67% | 0.674 | 67% | 0.672 | S | S | * | * | trans | -69.6 | 62.1 | 179.3 | -72.2 | -56.3 | 0 | 0 | 0 | 112 | T43 F47 | T43-N45 PolarHBondContact O-N 2.97Å; N45-F47 HydrophobicContact CB-CD2 4.5Å; N45-F47 HydrophobicContact CB-CE2 4.01Å | ||
| 46 | F | 69.9 | Low | 66.4 | Low | 147 Ų | 147 | 126.4 Ų | 126.4 | 65% | 0.645 | 66% | 0.659 | S | S | * | * | trans | -105.2 | 72.9 | -174.4 | -166.6 | -91 | 0 | 0 | 0 | 108.6 | T44 I51 | T44-F46 PolarHBondContact O-N 3.32Å; F46-I51 HydrophobicContact CE1-CD1 3.81Å; F46-I51 HydrophobicContact CE2-CD1 3.74Å; F46-I51 HydrophobicContact CZ-CD1 3.32Å | ||
| 47 | F | 80.5 | Confident | 67.5 | Low | 112 Ų | 112 | 125.4 Ų | 125.4 | 49% | 0.491 | 66% | 0.658 | S | S | . | * | trans | -81 | 133.8 | 171.9 | -58 | -82.2 | 0 | 0 | 0 | 108.8 | N45 D49 N50 | N45-F47 HydrophobicContact CB-CD2 4.5Å; N45-F47 HydrophobicContact CB-CE2 4.01Å; F47-D49 PolarHBondContact O-N 2.73Å; F47-N50 WeakPolarHBondContact O-CB 3.47Å; F47-N50 PolarHBondContact O-N 3.21Å | ||
| 48 | I | 76.9 | Confident | 68.5 | Low | 122 Ų | 122 | 125.5 Ų | 125.5 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -58.3 | -36.6 | -179.2 | -64.6 | 165.9 | 0 | 0 | 0 | 110 | N50 I51 L52 | I48-N50 VanDerWaalsContact C-N 3.25Å; I48-N50 PolarHBondContact O-N 2.72Å; I48-I51 PolarHBondContact O-N 3.05Å; I48-L52 HydrophobicContact CG2-CD1 3.72Å; I48-L52 PolarHBondContact O-N 2.98Å |
| 49 | D | 77.6 | Confident | 68.8 | Low | 111 Ų | 111 | 127 Ų | 127 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.7 | -29 | 177.2 | -48.8 | -58 | 0 | 0 | 0 | 113.7 | F47 I51 L52 R53 | F47-D49 PolarHBondContact O-N 2.73Å; D49-I51 PolarHBondContact O-N 2.78Å; D49-L52 PolarHBondContact O-N 3.13Å; D49-R53 PolarHBondContact O-N 3.19Å |
| 50 | N | 72.4 | Confident | 68.8 | Low | 69 Ų | 69 | 128.2 Ų | 128.2 | 37% | 0.369 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.1 | -27.9 | 176.7 | -75.3 | -25.5 | 0 | 0 | 0 | 112 | F47 I48 F56 | F47-N50 WeakPolarHBondContact O-CB 3.47Å; F47-N50 PolarHBondContact O-N 3.21Å; I48-N50 VanDerWaalsContact C-N 3.25Å; I48-N50 PolarHBondContact O-N 2.72Å; N50-F56 WeakPolarHBondContact O-CD2 3.49Å; N50-F56 WeakPolarHBondContact O-CG 3.25Å |
| 51 | I | 76.6 | Confident | 68.6 | Low | 70 Ų | 70 | 131 Ų | 131 | 36% | 0.359 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -89.7 | -28.2 | -177.7 | -57.1 | 170 | 0 | 0 | 0 | 111.1 | F46 I48 D49 R53 F56 | F46-I51 HydrophobicContact CE1-CD1 3.81Å; F46-I51 HydrophobicContact CE2-CD1 3.74Å; F46-I51 HydrophobicContact CZ-CD1 3.32Å; I48-I51 PolarHBondContact O-N 3.05Å; D49-I51 PolarHBondContact O-N 2.78Å; I51-R53 VanDerWaalsContact C-N 3.32Å; I51-F56 HydrophobicContact CB-CD1 4.35Å; I51-F56 HydrophobicContact CB-CE1 4.22Å; I51-F56 HydrophobicContact CB-CZ 4.38Å; I51-F56 HydrophobicContact CG1-CE1 4.22Å; I51-F56 HydrophobicContact CG1-CE2 4.28Å; I51-F56 HydrophobicContact CG1-CZ 3.94Å; I51-F56 HydrophobicContact CG2-CD1 3.95Å; I51-F56 HydrophobicContact CG2-CE1 3.77Å; I51-F56 HydrophobicContact CG2-CZ 4.35Å; I51-F56 WeakPolarHBondContact O-CB 3.26Å |
| 52 | L | 78.9 | Confident | 68.3 | Low | 128 Ų | 128 | 127.8 Ų | 127.8 | 67% | 0.67 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.1 | -6.7 | 177 | -73.5 | 160 | 0 | 0 | 0 | 113.6 | I48 D49 | I48-L52 HydrophobicContact CG2-CD1 3.72Å; I48-L52 PolarHBondContact O-N 2.98Å; D49-L52 PolarHBondContact O-N 3.13Å |
| 53 | R | 78.7 | Confident | 67.5 | Low | 155 Ų | 155 | 121.6 Ų | 121.6 | 59% | 0.585 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -57 | 136 | 174.1 | -86.5 | 174.5 | 164.4 | -117 | -4.9 | 111 | D49 I51 D55 F56 | D49-R53 PolarHBondContact O-N 3.19Å; I51-R53 VanDerWaalsContact C-N 3.32Å; R53-D55 PolarHBondContact O-N 3.05Å; R53-D55 VanDerWaalsContact O-N 3.08Å; R53-F56 HydrophobicContact CB-CB 4.3Å; R53-F56 VanDerWaalsContact O-CB 3.27Å; R53-F56 WeakPolarHBondContact O-CB 3.48Å; R53-F56 PolarHBondContact O-N 3.29Å |
| 54 | P | 77.5 | Confident | 66.2 | Low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -31.1 | 175.3 | -27.3 | 35.2 | 0 | 0 | 0 | 113.7 | F56 | P54-F56 VanDerWaalsContact C-N 3.35Š|
| 55 | D | 70.5 | Confident | 64.7 | Low | 112 Ų | 112 | 133.4 Ų | 133.4 | 60% | 0.599 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -3 | -179.2 | -41.2 | -56.8 | 0 | 0 | 0 | 113.5 | R53 G57 C58 | R53-D55 PolarHBondContact O-N 3.05Å; R53-D55 VanDerWaalsContact O-N 3.08Å; D55-G57 PolarHBondContact O-N 3.38Å; D55-C58 VanDerWaalsContact O-CB 3.32Å; D55-C58 WeakPolarHBondContact O-CB 3.48Å; D55-C58 PolarHBondContact O-N 3.07Å |
| 56 | F | 71.2 | Confident | 62.8 | Low | 122 Ų | 122 | 136.4 Ų | 136.4 | 54% | 0.535 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.1 | 123.4 | -172.9 | -171 | -101.6 | 0 | 0 | 0 | 111.7 | N50 I51 R53 P54 C58 | N50-F56 WeakPolarHBondContact O-CD2 3.49Å; N50-F56 WeakPolarHBondContact O-CG 3.25Å; I51-F56 HydrophobicContact CB-CD1 4.35Å; I51-F56 HydrophobicContact CB-CE1 4.22Å; I51-F56 HydrophobicContact CB-CZ 4.38Å; I51-F56 HydrophobicContact CG1-CE1 4.22Å; I51-F56 HydrophobicContact CG1-CE2 4.28Å; I51-F56 HydrophobicContact CG1-CZ 3.94Å; I51-F56 HydrophobicContact CG2-CD1 3.95Å; I51-F56 HydrophobicContact CG2-CE1 3.77Å; I51-F56 HydrophobicContact CG2-CZ 4.35Å; I51-F56 WeakPolarHBondContact O-CB 3.26Å; R53-F56 HydrophobicContact CB-CB 4.3Å; R53-F56 VanDerWaalsContact O-CB 3.27Å; R53-F56 WeakPolarHBondContact O-CB 3.48Å; R53-F56 PolarHBondContact O-N 3.29Å; P54-F56 VanDerWaalsContact C-N 3.35Å; F56-C58 PolarHBondContact O-N 3.01Å |
| 57 | G | 66.4 | Low | 61.4 | Low | 67 Ų | 67 | 139.5 Ų | 139.5 | 69% | 0.691 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.9 | -8.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D55 R59 | D55-G57 PolarHBondContact O-N 3.38Å; G57-R59 PolarHBondContact O-N 2.92Å |
| 58 | C | 69 | Low | 59.1 | Low | 91 Ų | 91 | 138.9 Ų | 138.9 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | trans | -74.3 | 91.8 | 172 | -67 | 0 | 0 | 0 | 0 | 109.9 | D55 F56 K60 | D55-C58 VanDerWaalsContact O-CB 3.32Å; D55-C58 WeakPolarHBondContact O-CB 3.48Å; D55-C58 PolarHBondContact O-N 3.07Å; F56-C58 PolarHBondContact O-N 3.01Å; C58-K60 PolarHBondContact O-N 3.12Å | ||
| 59 | R | 54.9 | Low | 57.2 | Low | 219 Ų | 219 | 140.6 Ų | 140.6 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | -66 | 106.3 | 172.2 | -61.3 | -172.7 | 84.1 | -131.2 | 10.3 | 108.7 | G57 E61 | G57-R59 PolarHBondContact O-N 2.92Å; R59-E61 PolarHBondContact O-N 3.45Å; R59-E61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | K | 50.3 | Low | 55.3 | Low | 203 Ų | 203 | 141.5 Ų | 141.5 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | -64.9 | 108.3 | 174.3 | -164.1 | 169.5 | -174.3 | 174 | 0 | 108.8 | C58 | C58-K60 PolarHBondContact O-N 3.12Š| ||
| 61 | E | 44.9 | Very low | 54.1 | Low | 145 Ų | 145 | 143.9 Ų | 143.9 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | trans | -60.9 | 135.1 | 172 | -71.3 | -73.2 | 124.3 | 0 | 0 | 109 | R59 S63 | R59-E61 PolarHBondContact O-N 3.45Å; R59-E61 VanDerWaalsContact O-N 3.13Å; E61-S63 PolarHBondContact O-N 3.27Å | ||
| 62 | P | 47.5 | Very low | 51.8 | Low | 107 Ų | 107 | 144.2 Ų | 144.2 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | trans | -77.8 | 91.1 | -178.7 | 30.6 | -33.4 | 0 | 0 | 0 | 110.8 | ||||
| 63 | S | 38.6 | Very low | 50 | Low | 110 Ų | 110 | 149.4 Ų | 149.4 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -73.8 | 144 | 163.7 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | E61 | E61-S63 PolarHBondContact O-N 3.27Š| ||
| 64 | Y | 41.7 | Very low | 47.8 | Very low | 218 Ų | 218 | 149.9 Ų | 149.9 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -82.8 | 142.8 | -157.5 | -35.6 | -87.5 | 0 | 0 | 0 | 113.9 | ||||
| 65 | R | 44.3 | Very low | 45.8 | Very low | 246 Ų | 246 | 151 Ų | 151 | 93% | 0.928 | 76% | 0.761 | S | S | * | * | trans | 50.1 | 128.3 | 162.3 | -76.9 | -170.6 | 174.7 | -170 | 0.5 | 120.6 | ||||
| 66 | E | 29.5 | Very low | 44.4 | Very low | 189 Ų | 189 | 151.6 Ų | 151.6 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | -157.5 | 159.1 | 116.7 | -165.5 | 74.1 | -114.7 | 0 | 0 | 107.9 | |||||
| 67 | R | 40.8 | Very low | 42.8 | Very low | 213 Ų | 213 | 152.4 Ų | 152.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -130.4 | 123.4 | -179.2 | 115 | 177.4 | -63.2 | -95.1 | -0.2 | 113.6 | ||||
| 68 | S | 32 | Very low | 41.8 | Very low | 99 Ų | 99 | 155.2 Ų | 155.2 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | -172.4 | 110.6 | 162.1 | 33.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 69 | Q | 38.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 159 Ų | 159 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | 67 | 91.2 | 97.7 | -68.7 | -179.5 | 65.1 | 0 | 0 | 113.6 | |||||
| 70 | T | 37.1 | Very low | 39.2 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | 102.4 | 167.6 | 100.5 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 71 | P | 47.2 | Very low | 38.4 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | cis | -124.6 | 169.3 | -11.8 | 38.6 | -23.3 | 0 | 0 | 0 | 115.3 | ||||
| 72 | G | 29.2 | Very low | 38.1 | Very low | 76 Ų | 76 | 151.6 Ų | 151.6 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 51.2 | 109 | 137.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 73 | R | 40 | Very low | 37.9 | Very low | 237 Ų | 237 | 151.9 Ų | 151.9 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | -140.7 | 126.8 | 129.4 | -122.7 | -176.9 | -177.4 | -173.1 | 0.5 | 110.1 | |||||
| 74 | E | 32.7 | Very low | 38.7 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -65.5 | 146.1 | -178.7 | 54.6 | -98.4 | 82.9 | 0 | 0 | 112.6 | ||||
| 75 | N | 36.8 | Very low | 38.4 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -123.4 | 113.7 | 159.7 | -172.7 | 19.8 | 0 | 0 | 0 | 108.2 | N77 | N75-N77 PolarHBondContact O-N 3.04Å; N75-N77 VanDerWaalsContact O-N 3.17Å | ||
| 76 | V | 39.3 | Very low | 37.8 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | trans | -81.5 | 91.1 | -173.7 | -77.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 77 | N | 39.2 | Very low | 38 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 120.2 | 159.1 | -91 | 1.6 | 0 | 0 | 0 | 108.9 | N75 | N75-N77 PolarHBondContact O-N 3.04Å; N75-N77 VanDerWaalsContact O-N 3.17Å |
| 78 | P | 44 | Very low | 37.7 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 150.4 | 175.8 | 29.4 | -33.5 | 0 | 0 | 0 | 111.6 | ||
| 79 | L | 35.4 | Very low | 37.9 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 141.7 | -169 | -65 | 161 | 0 | 0 | 0 | 112.9 | ||
| 80 | G | 33.6 | Very low | 37.8 | Very low | 84 Ų | 84 | 132.9 Ų | 132.9 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -131.3 | 82.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 81 | A | 34.3 | Very low | 37.8 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -77 | 151.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 82 | R | 38.5 | Very low | 37 | Very low | 234 Ų | 234 | 135.6 Ų | 135.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -127.1 | 124.9 | 171 | 178.1 | -171.6 | 177.4 | -159.4 | 0.5 | 109.6 | ||||
| 83 | P | 43.4 | Very low | 37.6 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -117 | 174.5 | 160.4 | 21.9 | -1.6 | 0 | 0 | 0 | 112.4 | ||||
| 84 | P | 56.6 | Low | 37.6 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | trans | -129.4 | -156.2 | -142.5 | 38.7 | -19.4 | 0 | 0 | 0 | 115.8 | ||||
| 85 | H | 33.8 | Very low | 37.6 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | 81.3 | 157.5 | -178.3 | -67.5 | -100.3 | 0 | 0 | 0 | 117.2 | ||||
| 86 | A | 33.4 | Very low | 37.5 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | cis | -176.3 | 141.8 | -38.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 87 | G | 32.8 | Very low | 37.4 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 93 | 160 | 152.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 88 | S | 35.4 | Very low | 37 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 60 | 115.2 | 177.6 | -72.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 89 | L | 34.8 | Very low | 36.8 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | 91.8 | 138.2 | 54.9 | -74.5 | 175.4 | 0 | 0 | 0 | 113.6 | |||||
| 90 | C | 37.3 | Very low | 36.7 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -59.1 | 156.6 | -171.6 | 50.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 91 | L | 36.8 | Very low | 36.7 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | -167 | 166.9 | 120.2 | -125.8 | 69.2 | 0 | 0 | 0 | 113.4 | |||||
| 92 | D | 30.1 | Very low | 36.8 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -90.5 | 170.7 | -166.3 | -63.8 | -99 | 0 | 0 | 0 | 117.3 | ||||
| 93 | S | 40.9 | Very low | 36.6 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 82.7 | 127.7 | 148.8 | -63.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 94 | N | 41.4 | Very low | 37 | Very low | 161 Ų | 161 | 121.4 Ų | 121.4 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | 27 | 141.3 | 134.6 | -67.7 | -3.4 | 0 | 0 | 0 | 120.2 | ||||
| 95 | C | 31.9 | Very low | 35.9 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | cis | -161.9 | 171.8 | 22.1 | 48.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 96 | S | 34.6 | Very low | 36.1 | Very low | 106 Ų | 106 | 118.2 Ų | 118.2 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 36 | 127.6 | 152.1 | -49.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 97 | S | 37.6 | Very low | 36.1 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | -172.7 | 142.3 | 65.5 | -62.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 98 | D | 31.4 | Very low | 36.3 | Very low | 149 Ų | 149 | 121.8 Ų | 121.8 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 56.3 | 136.8 | 141 | -110.6 | -62.2 | 0 | 0 | 0 | 127.5 | ||||
| 99 | S | 38.6 | Very low | 36.1 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 85.4 | 118.8 | 139.2 | -80.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 100 | A | 33.6 | Very low | 36.1 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | 61.8 | 139.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 101 | S | 34.1 | Very low | 35.8 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | cis | -164.4 | 177.8 | -18.3 | 78 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 102 | S | 35.4 | Very low | 35.7 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | cis | -146.3 | 163.8 | 4.1 | -84.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 103 | S | 35 | Very low | 36 | Very low | 118 Ų | 118 | 116.6 Ų | 116.6 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -82.2 | 151.6 | -174.9 | -50.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 104 | P | 52.2 | Low | 36.4 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -100.1 | 145.9 | 156.1 | 36.5 | -29.3 | 0 | 0 | 0 | 112.3 | ||||
| 105 | S | 33 | Very low | 36 | Very low | 103 Ų | 103 | 114.4 Ų | 114.4 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -160.7 | 124.2 | 164 | 44.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 106 | S | 38.1 | Very low | 36.1 | Very low | 118 Ų | 118 | 114.3 Ų | 114.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | 63.4 | 105 | 62.6 | 79.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 107 | S | 33.1 | Very low | 35.9 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -121.9 | 134.8 | 168.9 | 54 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 108 | S | 36.2 | Very low | 35.5 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -154.1 | 116.8 | 179 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 109 | S | 33.1 | Very low | 35.5 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -170 | 111.1 | 168.9 | 33.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 110 | T | 33.7 | Very low | 35.1 | Very low | 131 Ų | 131 | 121.3 Ų | 121.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | 76.4 | 151.6 | 77.6 | 59.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 111 | S | 32.1 | Very low | 35 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 80.3 | 145.2 | -174.7 | 80.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 112 | S | 33.6 | Very low | 35 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | cis | -168.1 | 148.2 | -18.5 | 41.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 113 | S | 36.4 | Very low | 35.4 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -72 | 160.4 | 169.1 | -50.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 114 | P | 48.7 | Very low | 35.1 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | -140.6 | -167.2 | 98.5 | 37.7 | -22.6 | 0 | 0 | 0 | 113.9 | |||||
| 115 | A | 33.6 | Very low | 33.9 | Very low | 87 Ų | 87 | 129.5 Ų | 129.5 | 72% | 0.719 | 82% | 0.819 | S | S | * | * | trans | -125.6 | 167.8 | -153.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 116 | S | 33.5 | Very low | 33.7 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | 77.4 | 125 | 143.7 | 69.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 117 | K | 31.7 | Very low | 33.3 | Very low | 188 Ų | 188 | 128.6 Ų | 128.6 | 82% | 0.817 | 83% | 0.825 | S | S | * | * | 172.7 | 113.6 | 130 | -92.2 | 163.7 | -175.1 | -177.7 | 0 | 108.7 | |||||
| 118 | Q | 29.3 | Very low | 33.1 | Very low | 187 Ų | 187 | 127.5 Ų | 127.5 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | 54.6 | 110.3 | 93.9 | -73.4 | -172.1 | -3.2 | 0 | 0 | 116 | |||||
| 119 | S | 30.5 | Very low | 32.8 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | -175.8 | 166.8 | 127.2 | 52 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 120 | S | 30.3 | Very low | 32.6 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -129 | 142.3 | -164.9 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 121 | S | 31.1 | Very low | 32.6 | Very low | 126 Ų | 126 | 128 Ų | 128 | 88% | 0.881 | 83% | 0.833 | S | S | * | * | trans | -172.8 | 144.8 | 144.5 | 44.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 122 | K | 34.1 | Very low | 32.5 | Very low | 202 Ų | 202 | 125 Ų | 125 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | -122 | 176 | 156 | -114.4 | -177.5 | 178.2 | -177 | 0 | 104.8 | ||||
| 123 | P | 45 | Very low | 32.7 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 84% | 0.844 | 83% | 0.829 | S | S | * | * | cis | -126.7 | -162.3 | -13.5 | 38.6 | -20.2 | 0 | 0 | 0 | 111.1 | ||||
| 124 | G | 27.5 | Very low | 32.5 | Very low | 77 Ų | 77 | 136.2 Ų | 136.2 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | 175.7 | 115.1 | 166 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 125 | E | 27.2 | Very low | 31.9 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 95% | 0.949 | 83% | 0.829 | S | S | * | * | trans | -86 | 150 | 172.2 | -65.6 | 173.6 | 82.2 | 0 | 0 | 111.5 | ||||
| 126 | A | 29.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 88% | 0.884 | 84% | 0.836 | S | S | * | * | trans | -160.1 | 144.4 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 127 | A | 29 | Very low | 32.1 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -110.8 | 174.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 128 | S | 29.7 | Very low | 32.8 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | 101.2 | 127.1 | 152.3 | 84 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 129 | N | 29.4 | Very low | 33.3 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | 62.6 | 108.2 | 137.5 | -59.8 | -15.2 | 0 | 0 | 0 | 120.7 | ||||
| 130 | G | 29.3 | Very low | 33.8 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -157.4 | 70.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G132 | G130-G132 PolarHBondContact O-N 3.4Å; G130-G132 VanDerWaalsContact O-N 3.11Å | ||
| 131 | A | 32.3 | Very low | 34.6 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 95% | 0.95 | 81% | 0.812 | S | S | * | * | trans | -74 | 98.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 132 | G | 31.6 | Very low | 35 | Very low | 56 Ų | 56 | 132.2 Ų | 132.2 | 58% | 0.577 | 81% | 0.806 | S | S | * | * | trans | -116 | 84.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G130 Y134 | G130-G132 PolarHBondContact O-N 3.4Å; G130-G132 VanDerWaalsContact O-N 3.11Å; G132-Y134 PolarHBondContact O-N 3.08Å | ||
| 133 | R | 36.4 | Very low | 36 | Very low | 243 Ų | 243 | 128.5 Ų | 128.5 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 106.1 | 169.7 | -73 | -168.1 | -172.4 | -102.9 | 7.4 | 109.5 | ||||
| 134 | Y | 34.1 | Very low | 35.7 | Very low | 215 Ų | 215 | 130.3 Ų | 130.3 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -128 | 130.1 | 161.8 | -59.6 | -77.4 | 0 | 0 | 0 | 108.5 | G132 D136 | G132-Y134 PolarHBondContact O-N 3.08Å; Y134-D136 PolarHBondContact O-N 3.27Å | ||
| 135 | A | 35.4 | Very low | 36.3 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -79.4 | 108.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S137 | A135-S137 PolarHBondContact O-N 3.38Š| ||
| 136 | D | 34.1 | Very low | 36.9 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -76.1 | 82.3 | 164.5 | -147.6 | -27.6 | 0 | 0 | 0 | 108.3 | Y134 P138 | Y134-D136 PolarHBondContact O-N 3.27Å; D136-P138 WeakPolarHBondContact O-CD 3.09Å | ||
| 137 | S | 36.8 | Very low | 37.6 | Very low | 86 Ų | 86 | 126 Ų | 126 | 60% | 0.601 | 79% | 0.785 | S | S | * | * | trans | -68 | 116 | 178.4 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | A135 S139 | A135-S137 PolarHBondContact O-N 3.38Å; S137-S139 PolarHBondContact O-N 3.17Å | ||
| 138 | P | 45.7 | Very low | 38.2 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | trans | -62.1 | 119.1 | 179.5 | 26.2 | -33.1 | 0 | 0 | 0 | 108.1 | D136 S140 | D136-P138 WeakPolarHBondContact O-CD 3.09Å; P138-S140 PolarHBondContact O-N 3.05Å | ||
| 139 | S | 40.8 | Very low | 38.6 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -49.3 | 105.7 | -172.2 | -48.7 | 0 | 0 | 0 | 0 | 110.8 | S137 I141 | S137-S139 PolarHBondContact O-N 3.17Å; S139-I141 PolarHBondContact O-N 2.92Å | ||
| 140 | S | 40.7 | Very low | 39 | Very low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | -62.4 | 122 | 171.4 | -73.9 | 0 | 0 | 0 | 0 | 107.3 | P138 M142 | P138-S140 PolarHBondContact O-N 3.05Å; S140-M142 VanDerWaalsContact C-N 3.27Å; S140-M142 PolarHBondContact O-N 3.35Å | ||
| 141 | I | 47.5 | Very low | 39.4 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -63.5 | 96.7 | 170.6 | -79.8 | 175.7 | 0 | 0 | 0 | 106.9 | S139 V143 | S139-I141 PolarHBondContact O-N 2.92Å; I141-V143 HydrophobicContact CG2-CG2 3.96Å; I141-V143 PolarHBondContact O-N 3.14Å; I141-V143 VanDerWaalsContact O-N 3.15Å | ||
| 142 | M | 40.1 | Very low | 40.5 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -75 | 97.2 | 171.2 | -68 | -94.6 | -83.4 | 0 | 0 | 106.5 | S140 M144 | S140-M142 VanDerWaalsContact C-N 3.27Å; S140-M142 PolarHBondContact O-N 3.35Å; M142-M144 PolarHBondContact O-N 3.16Å | ||
| 143 | V | 53.2 | Low | 40.9 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -68.3 | 105.7 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 108 | I141 S145 | I141-V143 HydrophobicContact CG2-CG2 3.96Å; I141-V143 PolarHBondContact O-N 3.14Å; I141-V143 VanDerWaalsContact O-N 3.15Å; V143-S145 PolarHBondContact O-N 3.45Å | ||
| 144 | M | 39.3 | Very low | 41.2 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -64.5 | 99.4 | 170.6 | -76.6 | -79.4 | 145.8 | 0 | 0 | 109 | M142 | M142-M144 PolarHBondContact O-N 3.16Š| ||
| 145 | S | 40.6 | Very low | 41.6 | Very low | 106 Ų | 106 | 119.5 Ų | 119.5 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 121.2 | 169 | -171.1 | 0 | 0 | 0 | 0 | 108.7 | V143 S147 | V143-S145 PolarHBondContact O-N 3.45Å; S145-S147 PolarHBondContact O-N 2.97Å |
| 146 | G | 38.8 | Very low | 42.1 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63 | 125.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 147 | S | 44.1 | Very low | 42.6 | Very low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73 | 127.9 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | S145 | S145-S147 PolarHBondContact O-N 2.97Š|
| 148 | N | 42.8 | Very low | 43.5 | Very low | 170 Ų | 170 | 125 Ų | 125 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -153.8 | 110.7 | 150.5 | -118.9 | 4 | 0 | 0 | 0 | 110.9 | ||||
| 149 | G | 38.6 | Very low | 43.6 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 49.3 | 123.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 150 | G | 36.2 | Very low | 44.6 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | 123 | 105 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 151 | S | 39.3 | Very low | 45.5 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -68.6 | 176.9 | 171.9 | -66.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 152 | P | 54.8 | Low | 46.8 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -138.5 | 169.5 | -31.8 | 33.1 | -14.1 | 0 | 0 | 0 | 115.8 | ||||
| 153 | A | 40.2 | Very low | 48.3 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 88% | 0.884 | 76% | 0.76 | S | S | * | * | trans | 50.8 | 121.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 154 | G | 41.9 | Very low | 49.6 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | 151.8 | 117.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 155 | M | 42.2 | Very low | 50.9 | Low | 180 Ų | 180 | 114.6 Ų | 114.6 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | trans | 82.1 | 99.6 | -179.8 | -59.4 | 179.3 | 159.9 | 0 | 0 | 116.7 | E157 | M155-E157 PolarHBondContact O-N 3.16Å; M155-E157 VanDerWaalsContact O-N 3.08Å | ||
| 156 | K | 45.6 | Very low | 52.7 | Low | 220 Ų | 220 | 118.4 Ų | 118.4 | 96% | 0.957 | 73% | 0.733 | S | S | * | * | trans | -80.9 | 63.2 | 158.2 | -71.5 | -177 | 178.7 | 177.1 | 0 | 109.7 | S158 | K156-S158 PolarHBondContact O-N 3.36Š| ||
| 157 | E | 46.2 | Very low | 54.7 | Low | 140 Ų | 140 | 115.3 Ų | 115.3 | 65% | 0.654 | 70% | 0.699 | S | S | * | * | trans | -52.7 | 126.4 | 154.6 | -167.7 | 79.4 | -135 | 0 | 0 | 106.5 | M155 Q159 | M155-E157 PolarHBondContact O-N 3.16Å; M155-E157 VanDerWaalsContact O-N 3.08Å; E157-Q159 PolarHBondContact O-N 3.12Å | ||
| 158 | S | 54.3 | Low | 56 | Low | 106 Ų | 106 | 112.7 Ų | 112.7 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | trans | -68.1 | 87.2 | 176 | 53.9 | 0 | 0 | 0 | 0 | 108.5 | K156 P160 | K156-S158 PolarHBondContact O-N 3.36Å; S158-P160 WeakPolarHBondContact O-CD 3.48Å | ||
| 159 | Q | 48.4 | Very low | 57.4 | Low | 155 Ų | 155 | 108.5 Ų | 108.5 | 72% | 0.724 | 65% | 0.654 | S | S | * | * | trans | -44.8 | 113.7 | -179 | -78.6 | -71.2 | -14.5 | 0 | 0 | 108.8 | E157 L161 | E157-Q159 PolarHBondContact O-N 3.12Å; Q159-L161 PolarHBondContact O-N 2.71Å | ||
| 160 | P | 61.1 | Low | 58.9 | Low | 96 Ų | 96 | 107.4 Ų | 107.4 | 62% | 0.623 | 63% | 0.631 | S | S | * | * | trans | -59 | 132.1 | 177.7 | 25.1 | -32.6 | 0 | 0 | 0 | 106.5 | S158 L162 | S158-P160 WeakPolarHBondContact O-CD 3.48Å; P160-L162 PolarHBondContact O-N 3.09Å | ||
| 161 | L | 61.3 | Low | 59.8 | Low | 134 Ų | 134 | 110.9 Ų | 110.9 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | trans | -59.7 | 87 | -177.6 | -71.4 | 165.2 | 0 | 0 | 0 | 109.5 | Q159 W163 | Q159-L161 PolarHBondContact O-N 2.71Å; L161-W163 PolarHBondContact O-N 2.77Å; L161-W163 VanDerWaalsContact O-N 3.08Å | ||
| 162 | L | 74.1 | Confident | 60.5 | Low | 139 Ų | 139 | 109.7 Ų | 109.7 | 73% | 0.728 | 60% | 0.596 | S | S | * | * | trans | -76.9 | 103.5 | -170.6 | -173.6 | 71.2 | 0 | 0 | 0 | 107.5 | P160 Y168 | P160-L162 PolarHBondContact O-N 3.09Å; L162-Y168 HydrophobicContact CD1-CE2 3.68Å; L162-Y168 HydrophobicContact CG-CE2 4.22Å | ||
| 163 | W | 71.6 | Confident | 60.7 | Low | 45 Ų | 45 | 104.4 Ų | 104.4 | 17% | 0.17 | 56% | 0.561 | C | S | . | * | trans | -58.5 | 149.3 | 177.9 | -62.6 | 99.4 | 0 | 0 | 0 | 111.1 | L161 A165 V167 Y168 L259 Q262 L263 | L161-W163 PolarHBondContact O-N 2.77Å; L161-W163 VanDerWaalsContact O-N 3.08Å; W163-A165 PolarHBondContact O-N 2.84Å; W163-V167 HydrophobicContact CB-CB 3.71Å; W163-V167 HydrophobicContact CB-CG1 3.82Å; W163-V167 HydrophobicContact CB-CG2 4.01Å; W163-V167 HydrophobicContact CG-CB 4.47Å; W163-V167 HydrophobicContact CG-CG1 4.06Å; W163-Y168 HydrophobicContact CB-CD2 4.32Å; W163-Y168 HydrophobicContact CB-CE2 3.7Å; W163-Y168 AromaticContact CD1-CZ 3.88Å; W163-Y168 PolarHBondContact N-OH 2.74Å; W163-Y168 WeakPolarHBondContact O-CD2 3.36Å; W163-Y168 WeakPolarHBondContact O-CE2 3.37Å; W163-L259 HydrophobicContact CE3-CD1 4.5Å; W163-L259 HydrophobicContact CH2-CD1 3.53Å; W163-L259 HydrophobicContact CZ3-CD1 3.49Å; W163-L259 VanDerWaalsContact CZ3-CD1 3.49Å; W163-Q262 HydrophobicContact CH2-CG 4.27Å; W163-Q262 HydrophobicContact CZ2-CG 4.03Å; W163-L263 HydrophobicContact CD2-CD2 4.31Å; W163-L263 HydrophobicContact CZ2-CD2 4.06Å | ||
| 164 | P | 79.5 | Confident | 61.3 | Low | 72 Ų | 72 | 104.4 Ų | 104.4 | 47% | 0.468 | 55% | 0.547 | S | S | . | . | trans | -50.2 | 141 | 173.8 | -28.7 | 36 | 0 | 0 | 0 | 111.6 | W166 V167 | P164-W166 PolarHBondContact O-N 2.73Å; P164-V167 WeakPolarHBondContact O-CB 3.38Å; P164-V167 WeakPolarHBondContact O-CG2 3.47Å; P164-V167 PolarHBondContact O-N 2.91Å | ||
| 165 | A | 68.4 | Low | 62 | Low | 69 Ų | 69 | 106.3 Ų | 106.3 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -52 | -30 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | W163 V167 Y168 C169 | W163-A165 PolarHBondContact O-N 2.84Å; A165-V167 PolarHBondContact O-N 2.96Å; A165-Y168 PolarHBondContact O-N 3Å; A165-Y168 VanDerWaalsContact O-N 3.09Å; A165-C169 WeakPolarHBondContact O-CB 3.26Å; A165-C169 PolarHBondContact O-N 2.7Å; A165-C169 PolarHBondContact O-SG 2.8Å; A165-C169 VanDerWaalsContact O-SG 3.34Å |
| 166 | W | 78.3 | Confident | 62.6 | Low | 186 Ų | 186 | 104.6 Ų | 104.6 | 71% | 0.705 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.6 | -28.4 | 175.7 | 71.4 | -99.4 | 0 | 0 | 0 | 113.8 | P164 Y168 C169 T170 | P164-W166 PolarHBondContact O-N 2.73Å; W166-Y168 VanDerWaalsContact C-N 3.34Å; W166-C169 PolarHBondContact O-N 2.8Å; W166-T170 PolarHBondContact O-N 3.25Å |
| 167 | V | 79.9 | Confident | 62.8 | Low | 11 Ų | 11 | 99.6 Ų | 99.6 | 7% | 0.067 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -70 | -31.7 | 175.2 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | W163 P164 A165 T170 S173 L263 | W163-V167 HydrophobicContact CB-CB 3.71Å; W163-V167 HydrophobicContact CB-CG1 3.82Å; W163-V167 HydrophobicContact CB-CG2 4.01Å; W163-V167 HydrophobicContact CG-CB 4.47Å; W163-V167 HydrophobicContact CG-CG1 4.06Å; P164-V167 WeakPolarHBondContact O-CB 3.38Å; P164-V167 WeakPolarHBondContact O-CG2 3.47Å; P164-V167 PolarHBondContact O-N 2.91Å; A165-V167 PolarHBondContact O-N 2.96Å; V167-T170 WeakPolarHBondContact O-CG2 3.44Å; V167-S173 WeakPolarHBondContact O-CB 3.2Å; V167-S173 PolarHBondContact O-OG 2.95Å; V167-L263 HydrophobicContact CG1-CD2 4.03Å |
| 168 | Y | 71.2 | Confident | 63.1 | Low | 61 Ų | 61 | 96 Ų | 96 | 24% | 0.239 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -92 | -13.7 | 176.3 | -63.3 | -66.9 | 0 | 0 | 0 | 114.3 | L162 W163 A165 W166 S173 R175 L268 | L162-Y168 HydrophobicContact CD1-CE2 3.68Å; L162-Y168 HydrophobicContact CG-CE2 4.22Å; W163-Y168 HydrophobicContact CB-CD2 4.32Å; W163-Y168 HydrophobicContact CB-CE2 3.7Å; W163-Y168 AromaticContact CD1-CZ 3.88Å; W163-Y168 PolarHBondContact N-OH 2.74Å; W163-Y168 WeakPolarHBondContact O-CD2 3.36Å; W163-Y168 WeakPolarHBondContact O-CE2 3.37Å; A165-Y168 PolarHBondContact O-N 3Å; A165-Y168 VanDerWaalsContact O-N 3.09Å; W166-Y168 VanDerWaalsContact C-N 3.34Å; Y168-S173 WeakPolarHBondContact CA-OG 3.37Å; Y168-S173 PolarHBondContact O-OG 3.11Å; Y168-R175 PolarHBondContact O-NE 3.46Å; Y168-L268 HydrophobicContact CD1-CD2 4.42Å; Y168-L268 HydrophobicContact CE1-CD1 4.06Å; Y168-L268 HydrophobicContact CE1-CD2 4.33Å |
| 169 | C | 72.9 | Confident | 63.3 | Low | 81 Ų | 81 | 93.6 Ų | 93.6 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -94.9 | 1.3 | 175.6 | -69.5 | 0 | 0 | 0 | 0 | 113.4 | A165 W166 R175 | A165-C169 WeakPolarHBondContact O-CB 3.26Å; A165-C169 PolarHBondContact O-N 2.7Å; A165-C169 PolarHBondContact O-SG 2.8Å; A165-C169 VanDerWaalsContact O-SG 3.34Å; W166-C169 PolarHBondContact O-N 2.8Å; C169-R175 PolarHBondContact SG-NH2 2.91Å |
| 170 | T | 68.9 | Low | 63.5 | Low | 63 Ų | 63 | 92.2 Ų | 92.2 | 39% | 0.387 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -75.5 | 160.6 | 176.3 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | W166 V167 Y172 S173 | W166-T170 PolarHBondContact O-N 3.25Å; V167-T170 WeakPolarHBondContact O-CG2 3.44Å; T170-Y172 PolarHBondContact O-N 2.99Å; T170-S173 PolarHBondContact N-OG 2.83Å; T170-S173 PolarHBondContact O-N 3.38Å; T170-S173 PolarHBondContact O-OG 3.43Å |
| 171 | R | 56.5 | Low | 63 | Low | 158 Ų | 158 | 93.4 Ų | 93.4 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 13.1 | 178.9 | 73.3 | 164 | -161.4 | 170.4 | 0 | 114.9 | R181 | R171-R181 VanDerWaalsContact C-NH2 3.26Å; R171-R181 PolarHBondContact O-NE 3.25Å; R171-R181 PolarHBondContact O-NH2 3.32Å |
| 172 | Y | 53.7 | Low | 62.8 | Low | 92 Ų | 92 | 92.7 Ų | 92.7 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -13.3 | -172 | -72.2 | -75.9 | 0 | 0 | 0 | 113.5 | T170 | T170-Y172 PolarHBondContact O-N 2.99Š|
| 173 | S | 58.8 | Low | 61.8 | Low | 4 Ų | 4 | 95 Ų | 95 | 3% | 0.028 | 51% | 0.506 | C | S | . | . | trans | -83.7 | 113.6 | 171.1 | 35.1 | 0 | 0 | 0 | 0 | 109.2 | V167 Y168 T170 R175 | V167-S173 WeakPolarHBondContact O-CB 3.2Å; V167-S173 PolarHBondContact O-OG 2.95Å; Y168-S173 WeakPolarHBondContact CA-OG 3.37Å; Y168-S173 PolarHBondContact O-OG 3.11Å; T170-S173 PolarHBondContact N-OG 2.83Å; T170-S173 PolarHBondContact O-N 3.38Å; T170-S173 PolarHBondContact O-OG 3.43Å; S173-R175 VanDerWaalsContact C-N 3.32Å; S173-R175 PolarHBondContact O-N 3.45Å | ||
| 174 | D | 52.8 | Low | 61 | Low | 107 Ų | 107 | 101.9 Ų | 101.9 | 57% | 0.572 | 54% | 0.537 | S | S | * | . | trans | -73.9 | 88.9 | 170.8 | -72.4 | -41.7 | 0 | 0 | 0 | 109.2 | ||||
| 175 | R | 56.2 | Low | 59.8 | Low | 113 Ų | 113 | 106.4 Ų | 106.4 | 43% | 0.426 | 56% | 0.556 | S | S | . | * | trans | -67.2 | 132.9 | 165.6 | -88.6 | 178.1 | 163.2 | 168.1 | -1.4 | 108.7 | Y168 C169 S173 S177 S178 | Y168-R175 PolarHBondContact O-NE 3.46Å; C169-R175 PolarHBondContact SG-NH2 2.91Å; S173-R175 VanDerWaalsContact C-N 3.32Å; S173-R175 PolarHBondContact O-N 3.45Å; R175-S177 PolarHBondContact O-N 3.45Å; R175-S177 VanDerWaalsContact O-N 3.08Å; R175-S178 PolarHBondContact O-N 3.14Å | ||
| 176 | P | 54.3 | Low | 59 | Low | 144 Ų | 144 | 112.9 Ų | 112.9 | 94% | 0.935 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -19.5 | 176.2 | 24 | -33.5 | 0 | 0 | 0 | 113.5 | ||
| 177 | S | 49.5 | Very low | 57.9 | Low | 115 Ų | 115 | 113.6 Ų | 113.6 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -12.1 | 173 | 170.3 | 0 | 0 | 0 | 0 | 114.1 | R175 G179 | R175-S177 PolarHBondContact O-N 3.45Å; R175-S177 VanDerWaalsContact O-N 3.08Å; S177-G179 PolarHBondContact O-N 2.88Å |
| 178 | S | 52.9 | Low | 56.5 | Low | 64 Ų | 64 | 122.5 Ų | 122.5 | 45% | 0.448 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -92.7 | 97.2 | 175 | -68.6 | 0 | 0 | 0 | 0 | 109.9 | R175 | R175-S178 PolarHBondContact O-N 3.14Š|
| 179 | G | 59 | Low | 55.5 | Low | 56 Ų | 56 | 128.9 Ų | 128.9 | 58% | 0.577 | 65% | 0.646 | S | S | * | * | trans | -56.6 | 174.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S177 R181 | S177-G179 PolarHBondContact O-N 2.88Å; G179-R181 PolarHBondContact O-N 3.4Å | ||
| 180 | P | 53.3 | Low | 54.3 | Low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | trans | -48.2 | 122 | -161 | 12.3 | -28.3 | 0 | 0 | 0 | 114.6 | T182 | P180-T182 VanDerWaalsContact C-N 3.31Å; P180-T182 PolarHBondContact O-N 3.48Å | ||
| 181 | R | 50.3 | Low | 53.3 | Low | 122 Ų | 122 | 132.3 Ų | 132.3 | 46% | 0.46 | 66% | 0.664 | S | S | . | * | trans | -75.7 | 69.4 | -165 | -165.7 | 171.9 | -156.2 | 69.9 | 10.9 | 113.4 | R171 G179 R183 | R171-R181 VanDerWaalsContact C-NH2 3.26Å; R171-R181 PolarHBondContact O-NE 3.25Å; R171-R181 PolarHBondContact O-NH2 3.32Å; G179-R181 PolarHBondContact O-N 3.4Å; R181-R183 VanDerWaalsContact C-N 3.33Å; R181-R183 HydrophobicContact CG-CG 4.38Å; R181-R183 PolarHBondContact O-N 3.07Å | ||
| 182 | T | 55.7 | Low | 53.3 | Low | 118 Ų | 118 | 132.7 Ų | 132.7 | 72% | 0.724 | 67% | 0.67 | S | S | * | * | trans | -67.9 | 90.6 | 170.5 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | P180 K184 | P180-T182 VanDerWaalsContact C-N 3.31Å; P180-T182 PolarHBondContact O-N 3.48Å; T182-K184 PolarHBondContact O-N 2.85Å | ||
| 183 | R | 54.2 | Low | 53.5 | Low | 189 Ų | 189 | 136.9 Ų | 136.9 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | -65.9 | 84.9 | 167.6 | -71.4 | 175 | 60.7 | -178.2 | -5.6 | 108.4 | R181 L185 | R181-R183 VanDerWaalsContact C-N 3.33Å; R181-R183 HydrophobicContact CG-CG 4.38Å; R181-R183 PolarHBondContact O-N 3.07Å; R183-L185 PolarHBondContact O-N 2.8Å | ||
| 184 | K | 53.5 | Low | 53.4 | Low | 189 Ų | 189 | 144 Ų | 144 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | -45.5 | 111.4 | 167.2 | -69 | -85.7 | -176.4 | 176.4 | 0 | 107.1 | T182 K186 | T182-K184 PolarHBondContact O-N 2.85Å; K184-K186 PolarHBondContact O-N 2.91Å | ||
| 185 | L | 55 | Low | 53.7 | Low | 166 Ų | 166 | 147.6 Ų | 147.6 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -58.3 | 118.1 | 179.2 | -77.4 | 88 | 0 | 0 | 0 | 106.6 | R183 K187 | R183-L185 PolarHBondContact O-N 2.8Å; L185-K187 VanDerWaalsContact C-N 3.27Å; L185-K187 PolarHBondContact O-N 3.46Å | ||
| 186 | K | 52.8 | Low | 54 | Low | 206 Ų | 206 | 153.8 Ų | 153.8 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | trans | -66.4 | 91.4 | -176.2 | -177.8 | 168.8 | 178.7 | 167 | 0 | 108 | K184 K188 | K184-K186 PolarHBondContact O-N 2.91Å; K186-K188 PolarHBondContact O-N 2.86Å | ||
| 187 | K | 54.6 | Low | 54.7 | Low | 200 Ų | 200 | 152.5 Ų | 152.5 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | trans | -47.8 | 127.8 | 176.4 | -173.2 | 158 | 180 | 168.6 | 0 | 107.1 | L185 K189 | L185-K187 VanDerWaalsContact C-N 3.27Å; L185-K187 PolarHBondContact O-N 3.46Å; K187-K189 PolarHBondContact O-N 3.32Å | ||
| 188 | K | 51.3 | Low | 56 | Low | 199 Ų | 199 | 158.9 Ų | 158.9 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | trans | -69.3 | 70 | -166.1 | -169.4 | 179.7 | 178.2 | -177.7 | 0 | 110.4 | K186 N190 | K186-K188 PolarHBondContact O-N 2.86Å; K188-N190 PolarHBondContact O-N 3.08Å | ||
| 189 | K | 49.6 | Very low | 57.4 | Low | 194 Ų | 194 | 160.3 Ų | 160.3 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -60.6 | 114.4 | 175.1 | -173.5 | 162.7 | -177.6 | 173 | 0 | 106.7 | K187 S191 | K187-K189 PolarHBondContact O-N 3.32Å; K189-S191 PolarHBondContact O-N 3.5Å | ||
| 190 | N | 48.1 | Very low | 58.8 | Low | 118 Ų | 118 | 162.1 Ų | 162.1 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | trans | -76.3 | 55.5 | -170.7 | -158.5 | 13.1 | 0 | 0 | 0 | 110.4 | K188 K192 | K188-N190 PolarHBondContact O-N 3.08Å; N190-K192 VanDerWaalsContact C-N 3.3Å; N190-K192 PolarHBondContact O-N 2.97Å; N190-K192 WeakPolarHBondContact OD1-CE 3.29Å | ||
| 191 | S | 47.1 | Very low | 60.8 | Low | 98 Ų | 98 | 158.6 Ų | 158.6 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | -76.6 | 85.4 | 177.7 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | K189 | K189-S191 PolarHBondContact O-N 3.5Š| ||
| 192 | K | 56.7 | Low | 63 | Low | 166 Ų | 166 | 156.2 Ų | 156.2 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -83.2 | -8.2 | -176.1 | -81 | -178.6 | 173.4 | -179.3 | 0 | 114 | N190 | N190-K192 VanDerWaalsContact C-N 3.3Å; N190-K192 PolarHBondContact O-N 2.97Å; N190-K192 WeakPolarHBondContact OD1-CE 3.29Å | ||
| 193 | E | 56.9 | Low | 64.9 | Low | 181 Ų | 181 | 154.3 Ų | 154.3 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -101.7 | -22.2 | -153.2 | -130.7 | 153.5 | 130.1 | 0 | 0 | 117.2 | ||
| 194 | D | 57.1 | Low | 66.9 | Low | 152 Ų | 152 | 152.4 Ų | 152.4 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -109.7 | 15.3 | -172.2 | -90.6 | -58.1 | 0 | 0 | 0 | 115.2 | ||
| 195 | K | 60.1 | Low | 68.9 | Low | 183 Ų | 183 | 144.7 Ų | 144.7 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -134.7 | 121.6 | 176.7 | -63.8 | -173.1 | -179.2 | -172.1 | 0 | 109.2 | P197 | K195-P197 VanDerWaalsContact O-N 3.12Š|
| 196 | R | 62.3 | Low | 70.9 | Confident | 243 Ų | 243 | 139.3 Ų | 139.3 | 92% | 0.917 | 68% | 0.684 | S | S | * | * | trans | -36.6 | 120.4 | 175.2 | -78.8 | -178.7 | 175.8 | 156.8 | -0.8 | 109.3 | R198 | R196-R198 PolarHBondContact O-N 3.31Š| ||
| 197 | P | 69.3 | Low | 73.1 | Confident | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 67% | 0.67 | S | S | * | * | trans | -56.3 | 130.3 | -171.8 | 20.7 | -32.2 | 0 | 0 | 0 | 109.3 | K195 T199 | K195-P197 VanDerWaalsContact O-N 3.12Å; P197-T199 PolarHBondContact O-N 3.48Å | ||
| 198 | R | 76.9 | Confident | 75.1 | Confident | 249 Ų | 249 | 129.9 Ų | 129.9 | 94% | 0.94 | 64% | 0.642 | S | S | * | * | trans | -68.2 | 104.2 | 177.6 | -75.5 | -178.9 | 172.4 | 174 | -3.7 | 108.3 | R196 A200 | R196-R198 PolarHBondContact O-N 3.31Å; R198-A200 PolarHBondContact O-N 3.43Å | ||
| 199 | T | 81.4 | Confident | 77.3 | Confident | 94 Ų | 94 | 120.4 Ų | 120.4 | 58% | 0.577 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 120.4 | 171.3 | 54.9 | 0 | 0 | 0 | 0 | 109.2 | P197 Q237 | P197-T199 PolarHBondContact O-N 3.48Å; T199-Q237 PolarHBondContact OG1-NE2 3.08Å |
| 200 | A | 89.1 | Confident | 79.6 | Confident | 95 Ų | 95 | 115.8 Ų | 115.8 | 79% | 0.785 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 142.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | R198 | R198-A200 PolarHBondContact O-N 3.43Š|
| 201 | F | 94.6 | Very high | 82 | Confident | 52 Ų | 52 | 113.7 Ų | 113.7 | 23% | 0.228 | 57% | 0.573 | C | S | . | * | P | Polyproline II helix | trans | -85.9 | 147.1 | 171.9 | -57.9 | -59.8 | 0 | 0 | 0 | 110 | Q205 L206 L233 Q237 W241 | F201-Q205 HydrophobicContact CB-CB 4.27Å; F201-L206 HydrophobicContact CB-CD1 4.49Å; F201-L206 HydrophobicContact CB-CD2 3.91Å; F201-L206 HydrophobicContact CB-CG 3.85Å; F201-L206 HydrophobicContact CD2-CD2 4.09Å; F201-L206 HydrophobicContact CG-CD2 4.42Å; F201-L233 HydrophobicContact CD1-CD1 3.68Å; F201-L233 HydrophobicContact CD1-CD2 3.83Å; F201-L233 HydrophobicContact CD1-CG 4.43Å; F201-L233 HydrophobicContact CE1-CD1 3.76Å; F201-L233 HydrophobicContact CE1-CD2 3.84Å; F201-L233 HydrophobicContact CE1-CG 4.42Å; F201-Q237 HydrophobicContact CE1-CB 4.03Å; F201-Q237 HydrophobicContact CZ-CB 3.99Å; F201-W241 AromaticContact CD2-CD1 3.82Å; F201-W241 HydrophobicContact CE2-CB 4.41Å; F201-W241 AromaticContact CE2-CD1 3.66Å; F201-W241 HydrophobicContact CE2-CG 4.42Å |
| 202 | T | 96.3 | Very high | 84.4 | Confident | 72 Ų | 72 | 110.4 Ų | 110.4 | 44% | 0.442 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 163 | 174.7 | 72.1 | 0 | 0 | 0 | 0 | 111.2 | E204 Q205 L206 | T202-E204 VanDerWaalsContact C-N 3.28Å; T202-E204 PolarHBondContact O-N 3.41Å; T202-Q205 PolarHBondContact O-N 2.99Å; T202-Q205 WeakPolarHBondContact OG1-CB 3.39Å; T202-Q205 VanDerWaalsContact OG1-CG 3.26Å; T202-Q205 WeakPolarHBondContact OG1-CG 3.22Å; T202-Q205 PolarHBondContact OG1-N 2.79Å; T202-L206 WeakPolarHBondContact O-CB 3.4Å; T202-L206 VanDerWaalsContact O-CG 3.32Å; T202-L206 WeakPolarHBondContact O-CG 3.4Å; T202-L206 PolarHBondContact O-N 2.83Å |
| 203 | A | 95.3 | Very high | 86.3 | Confident | 78 Ų | 78 | 102.9 Ų | 102.9 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.8 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L206 Q207 | A203-L206 PolarHBondContact O-N 3.12Å; A203-Q207 PolarHBondContact O-N 3.03Å |
| 204 | E | 96.3 | Very high | 88.2 | Confident | 148 Ų | 148 | 100.5 Ų | 100.5 | 69% | 0.692 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -51.5 | 176.2 | -175.2 | -171 | 176.3 | 0 | 0 | 112.1 | T202 L206 Q207 R208 | T202-E204 VanDerWaalsContact C-N 3.28Å; T202-E204 PolarHBondContact O-N 3.41Å; E204-L206 PolarHBondContact O-N 2.89Å; E204-Q207 WeakPolarHBondContact O-CA 3.42Å; E204-Q207 WeakPolarHBondContact O-CB 3.39Å; E204-Q207 PolarHBondContact O-N 3.39Å; E204-R208 PolarHBondContact O-N 2.83Å |
| 205 | Q | 96.9 | Very high | 90.1 | Very high | 28 Ų | 28 | 97.5 Ų | 97.5 | 13% | 0.131 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -54.1 | -43.3 | 174.3 | -73.7 | 172.4 | -19 | 0 | 0 | 111 | F201 T202 L209 L231 L233 | F201-Q205 HydrophobicContact CB-CB 4.27Å; T202-Q205 PolarHBondContact O-N 2.99Å; T202-Q205 WeakPolarHBondContact OG1-CB 3.39Å; T202-Q205 VanDerWaalsContact OG1-CG 3.26Å; T202-Q205 WeakPolarHBondContact OG1-CG 3.22Å; T202-Q205 PolarHBondContact OG1-N 2.79Å; Q205-L209 WeakPolarHBondContact O-CB 3.48Å; Q205-L209 WeakPolarHBondContact O-CD1 3.36Å; Q205-L209 WeakPolarHBondContact O-CG 3.39Å; Q205-L209 PolarHBondContact O-N 3.29Å; Q205-L231 HydrophobicContact CG-CB 4.24Å; Q205-L231 HydrophobicContact CG-CD2 4.19Å; Q205-L231 PolarHBondContact NE2-O 3.41Å; Q205-L233 HydrophobicContact CB-CD1 4.42Å; Q205-L233 HydrophobicContact CG-CD1 4.29Å |
| 206 | L | 97.1 | Very high | 91.8 | Very high | 53 Ų | 53 | 92.6 Ų | 92.6 | 28% | 0.277 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.4 | -31.6 | 176.1 | -71.3 | 174.5 | 0 | 0 | 0 | 113.4 | F201 T202 A203 E204 K210 W241 | F201-L206 HydrophobicContact CB-CD1 4.49Å; F201-L206 HydrophobicContact CB-CD2 3.91Å; F201-L206 HydrophobicContact CB-CG 3.85Å; F201-L206 HydrophobicContact CD2-CD2 4.09Å; F201-L206 HydrophobicContact CG-CD2 4.42Å; T202-L206 WeakPolarHBondContact O-CB 3.4Å; T202-L206 VanDerWaalsContact O-CG 3.32Å; T202-L206 WeakPolarHBondContact O-CG 3.4Å; T202-L206 PolarHBondContact O-N 2.83Å; A203-L206 PolarHBondContact O-N 3.12Å; E204-L206 PolarHBondContact O-N 2.89Å; L206-K210 WeakPolarHBondContact O-CB 3.37Å; L206-K210 VanDerWaalsContact O-CD 3.25Å; L206-K210 WeakPolarHBondContact O-CD 3.41Å; L206-K210 WeakPolarHBondContact O-CG 3.48Å; L206-K210 PolarHBondContact O-N 2.96Å; L206-K210 VanDerWaalsContact O-N 3.16Å; L206-W241 VanDerWaalsContact CD2-NE1 3.33Å |
| 207 | Q | 97.8 | Very high | 93.4 | Very high | 130 Ų | 130 | 87 Ų | 87 | 61% | 0.607 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.5 | -51.1 | 173.5 | -82.3 | -166.6 | -29.5 | 0 | 0 | 111.2 | A203 E204 L209 K210 T211 | A203-Q207 PolarHBondContact O-N 3.03Å; E204-Q207 WeakPolarHBondContact O-CA 3.42Å; E204-Q207 WeakPolarHBondContact O-CB 3.39Å; E204-Q207 PolarHBondContact O-N 3.39Å; Q207-L209 VanDerWaalsContact C-N 3.32Å; Q207-L209 PolarHBondContact O-N 3.25Å; Q207-K210 WeakPolarHBondContact O-CA 3.45Å; Q207-K210 WeakPolarHBondContact O-CB 3.33Å; Q207-K210 PolarHBondContact O-N 3.01Å; Q207-T211 PolarHBondContact O-N 3.47Å; Q207-T211 PolarHBondContact O-OG1 2.9Å |
| 208 | R | 97.6 | Very high | 94.8 | Very high | 77 Ų | 77 | 88.2 Ų | 88.2 | 29% | 0.291 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -56.2 | -46 | 178.2 | -172.4 | 67.6 | 176.6 | 129.3 | -9.2 | 112 | E204 K210 T211 E212 L227 E230 L231 | E204-R208 PolarHBondContact O-N 2.83Å; R208-K210 VanDerWaalsContact C-N 3.31Å; R208-K210 PolarHBondContact O-N 3.39Å; R208-T211 PolarHBondContact O-N 3.28Å; R208-E212 IonicContact CZ-OE1 3.41Å; R208-E212 IonicContact NH1-OE1 2.73Å; R208-E212 PolarHBondContact NH1-OE1 2.86Å; R208-E212 IonicContact NH2-OE1 3.67Å; R208-E212 WeakPolarHBondContact O-CG 3.46Å; R208-E212 PolarHBondContact O-N 3.15Å; R208-E212 VanDerWaalsContact O-N 3.08Å; R208-L227 HydrophobicContact CG-CD2 4.28Å; R208-E230 IonicContact CZ-OE2 3.16Å; R208-E230 IonicContact NE-OE2 2.78Å; R208-E230 PolarHBondContact NE-OE2 3.4Å; R208-E230 IonicContact NH2-OE1 3.51Å; R208-E230 IonicContact NH2-OE2 2.72Å; R208-E230 PolarHBondContact NH2-OE2 3.4Å; R208-L231 HydrophobicContact CB-CD1 4.11Å; R208-L231 HydrophobicContact CB-CD2 3.8Å; R208-L231 HydrophobicContact CB-CG 4.46Å; R208-L231 HydrophobicContact CG-CD1 4.13Å; R208-L231 HydrophobicContact CG-CD2 3.89Å; R208-L231 HydrophobicContact CG-CG 4.27Å |
| 209 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.1 | -34 | 175.4 | -70.3 | 169 | 0 | 0 | 0 | 113 | Q205 Q207 F213 L231 L233 I238 W241 F242 | Q205-L209 WeakPolarHBondContact O-CB 3.48Å; Q205-L209 WeakPolarHBondContact O-CD1 3.36Å; Q205-L209 WeakPolarHBondContact O-CG 3.39Å; Q205-L209 PolarHBondContact O-N 3.29Å; Q207-L209 VanDerWaalsContact C-N 3.32Å; Q207-L209 PolarHBondContact O-N 3.25Å; L209-F213 WeakPolarHBondContact O-CB 3.3Å; L209-F213 PolarHBondContact O-N 3.42Å; L209-L231 HydrophobicContact CD1-CD1 4.39Å; L209-L231 HydrophobicContact CD2-CD1 4.03Å; L209-L231 HydrophobicContact CG-CD1 3.78Å; L209-L233 HydrophobicContact CD1-CD1 4.45Å; L209-I238 HydrophobicContact CD2-CG1 4.32Å; L209-I238 HydrophobicContact CD2-CG2 4.02Å; L209-W241 VanDerWaalsContact C-CH2 3.47Å; L209-W241 HydrophobicContact CB-CD2 4.07Å; L209-W241 HydrophobicContact CB-CE3 4.05Å; L209-W241 HydrophobicContact CB-CH2 3.72Å; L209-W241 HydrophobicContact CB-CZ2 3.7Å; L209-W241 HydrophobicContact CB-CZ3 3.9Å; L209-W241 HydrophobicContact CD1-CD2 4Å; L209-W241 HydrophobicContact CD1-CG 3.98Å; L209-W241 HydrophobicContact CD2-CE3 4.46Å; L209-W241 HydrophobicContact CG-CD2 4.47Å; L209-W241 VanDerWaalsContact O-CH2 3.26Å; L209-W241 WeakPolarHBondContact O-CH2 3.41Å; L209-W241 WeakPolarHBondContact O-CZ3 3.34Å; L209-F242 HydrophobicContact CD2-CE2 4.02Å |
| 210 | K | 97.4 | Very high | 96.5 | Very high | 97 Ų | 97 | 77.5 Ų | 77.5 | 42% | 0.422 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 174.3 | -74.7 | 161.6 | -167.9 | 172 | 0 | 111.8 | L206 Q207 R208 F213 Q214 W241 | L206-K210 WeakPolarHBondContact O-CB 3.37Å; L206-K210 VanDerWaalsContact O-CD 3.25Å; L206-K210 WeakPolarHBondContact O-CD 3.41Å; L206-K210 WeakPolarHBondContact O-CG 3.48Å; L206-K210 PolarHBondContact O-N 2.96Å; L206-K210 VanDerWaalsContact O-N 3.16Å; Q207-K210 WeakPolarHBondContact O-CA 3.45Å; Q207-K210 WeakPolarHBondContact O-CB 3.33Å; Q207-K210 PolarHBondContact O-N 3.01Å; R208-K210 VanDerWaalsContact C-N 3.31Å; R208-K210 PolarHBondContact O-N 3.39Å; K210-F213 PolarHBondContact O-N 2.82Å; K210-Q214 WeakPolarHBondContact O-CG 3.27Å; K210-Q214 PolarHBondContact O-N 3.26Å; K210-W241 HydrophobicContact CG-CH2 4.46Å; K210-W241 HydrophobicContact CG-CZ2 4.36Å |
| 211 | T | 97.6 | Very high | 96.9 | Very high | 75 Ų | 75 | 78.6 Ų | 78.6 | 46% | 0.46 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 179.1 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | Q207 R208 F213 Q214 A215 | Q207-T211 PolarHBondContact O-N 3.47Å; Q207-T211 PolarHBondContact O-OG1 2.9Å; R208-T211 PolarHBondContact O-N 3.28Å; T211-F213 VanDerWaalsContact C-N 3.32Å; T211-F213 PolarHBondContact O-N 2.87Å; T211-Q214 WeakPolarHBondContact O-CB 3.25Å; T211-Q214 PolarHBondContact O-N 2.87Å; T211-Q214 VanDerWaalsContact O-N 3.12Å; T211-A215 PolarHBondContact O-N 3.01Å; T211-A215 VanDerWaalsContact O-N 3.16Å |
| 212 | E | 97.4 | Very high | 97.1 | Very high | 29 Ų | 29 | 83.7 Ų | 83.7 | 14% | 0.136 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 177.1 | -67.5 | -68.2 | 133.8 | 0 | 0 | 112.2 | R208 Q214 A215 N216 R223 L227 F242 | R208-E212 IonicContact CZ-OE1 3.41Å; R208-E212 IonicContact NH1-OE1 2.73Å; R208-E212 PolarHBondContact NH1-OE1 2.86Å; R208-E212 IonicContact NH2-OE1 3.67Å; R208-E212 WeakPolarHBondContact O-CG 3.46Å; R208-E212 PolarHBondContact O-N 3.15Å; R208-E212 VanDerWaalsContact O-N 3.08Å; E212-Q214 VanDerWaalsContact C-N 3.32Å; E212-Q214 PolarHBondContact O-N 3.38Å; E212-A215 PolarHBondContact O-N 3.03Å; E212-N216 PolarHBondContact O-N 2.88Å; E212-R223 IonicContact OE1-CZ 3.07Å; E212-R223 IonicContact OE1-NE 3.88Å; E212-R223 IonicContact OE1-NH2 2.71Å; E212-R223 PolarHBondContact OE1-NH2 3.41Å; E212-R223 IonicContact OE2-CZ 3.1Å; E212-R223 IonicContact OE2-NE 2.77Å; E212-R223 PolarHBondContact OE2-NE 3.5Å; E212-R223 IonicContact OE2-NH2 3.12Å; E212-R223 PolarHBondContact OE2-NH2 3.05Å; E212-R223 VanDerWaalsContact OE2-NH2 3.12Å; E212-L227 HydrophobicContact CB-CD1 3.9Å; E212-L227 HydrophobicContact CG-CD1 3.62Å; E212-L227 HydrophobicContact CG-CD2 3.83Å; E212-L227 HydrophobicContact CG-CG 4.32Å; E212-F242 HydrophobicContact CB-CZ 4.25Å |
| 213 | F | 97.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 83.7 Ų | 83.7 | 4% | 0.035 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67 | -30.8 | 174.7 | -172.4 | -90.7 | 0 | 0 | 0 | 113.5 | L209 K210 T211 N216 R217 W241 F242 K245 R246 I249 | L209-F213 WeakPolarHBondContact O-CB 3.3Å; L209-F213 PolarHBondContact O-N 3.42Å; K210-F213 PolarHBondContact O-N 2.82Å; T211-F213 VanDerWaalsContact C-N 3.32Å; T211-F213 PolarHBondContact O-N 2.87Å; F213-N216 WeakPolarHBondContact CA-O 3.13Å; F213-N216 CarbonylContact O-C 3.5Å; F213-R217 HydrophobicContact CE2-CB 4.31Å; F213-R217 HydrophobicContact CZ-CB 4.24Å; F213-R217 HydrophobicContact CZ-CG 4.39Å; F213-R217 VanDerWaalsContact O-CD 3.27Å; F213-R217 WeakPolarHBondContact O-CD 3.43Å; F213-R217 PolarHBondContact O-NE 2.72Å; F213-W241 HydrophobicContact CB-CH2 4.06Å; F213-W241 HydrophobicContact CB-CZ3 3.88Å; F213-W241 HydrophobicContact CD2-CZ3 4.12Å; F213-W241 HydrophobicContact CG-CH2 4.46Å; F213-W241 HydrophobicContact CG-CZ3 4.19Å; F213-F242 HydrophobicContact CB-CE1 4.23Å; F213-F242 HydrophobicContact CB-CZ 4.39Å; F213-F242 AromaticContact CD2-CD1 3.72Å; F213-F242 HydrophobicContact CD2-CD1 3.72Å; F213-F242 AromaticContact CD2-CE1 3.77Å; F213-F242 HydrophobicContact CD2-CE1 3.77Å; F213-F242 HydrophobicContact CE2-CD1 4.31Å; F213-F242 HydrophobicContact CG-CE1 4.5Å; F213-K245 HydrophobicContact CD1-CD 4.35Å; F213-K245 HydrophobicContact CD1-CG 3.73Å; F213-K245 HydrophobicContact CD2-CB 4.19Å; F213-K245 HydrophobicContact CD2-CG 3.6Å; F213-K245 HydrophobicContact CE1-CD 4.33Å; F213-K245 HydrophobicContact CE1-CG 3.63Å; F213-K245 HydrophobicContact CE2-CB 3.98Å; F213-K245 HydrophobicContact CE2-CG 3.5Å; F213-K245 VanDerWaalsContact CE2-CG 3.5Å; F213-K245 HydrophobicContact CG-CG 3.73Å; F213-K245 HydrophobicContact CZ-CB 4.34Å; F213-K245 HydrophobicContact CZ-CG 3.52Å; F213-R246 HydrophobicContact CE2-CG 3.81Å; F213-R246 HydrophobicContact CZ-CG 4.03Å; F213-I249 HydrophobicContact CE1-CD1 3.34Å; F213-I249 HydrophobicContact CZ-CD1 3.59Å |
| 214 | Q | 97.3 | Very high | 97.3 | Very high | 131 Ų | 131 | 81.9 Ų | 81.9 | 61% | 0.612 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.8 | -47.2 | 174.4 | -76.4 | 168 | -17.3 | 0 | 0 | 110.2 | K210 T211 E212 R217 | K210-Q214 WeakPolarHBondContact O-CG 3.27Å; K210-Q214 PolarHBondContact O-N 3.26Å; T211-Q214 WeakPolarHBondContact O-CB 3.25Å; T211-Q214 PolarHBondContact O-N 2.87Å; T211-Q214 VanDerWaalsContact O-N 3.12Å; E212-Q214 VanDerWaalsContact C-N 3.32Å; E212-Q214 PolarHBondContact O-N 3.38Å; Q214-R217 PolarHBondContact O-NH2 2.66Å |
| 215 | A | 96.3 | Very high | 97.3 | Very high | 88 Ų | 88 | 79.1 Ų | 79.1 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.4 | -47.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T211 E212 | T211-A215 PolarHBondContact O-N 3.01Å; T211-A215 VanDerWaalsContact O-N 3.16Å; E212-A215 PolarHBondContact O-N 3.03Å |
| 216 | N | 95.8 | Very high | 97.4 | Very high | 81 Ų | 81 | 79.6 Ų | 79.6 | 43% | 0.433 | 39% | 0.387 | S | S | . | . | trans | -140.6 | 124.1 | 176.7 | -167.5 | -15.2 | 0 | 0 | 0 | 112.2 | E212 F213 Y218 | E212-N216 PolarHBondContact O-N 2.88Å; F213-N216 WeakPolarHBondContact CA-O 3.13Å; F213-N216 CarbonylContact O-C 3.5Å; N216-Y218 PolarHBondContact ND2-O 2.86Å; N216-Y218 VanDerWaalsContact ND2-O 3.1Å; N216-Y218 PolarHBondContact O-N 3.38Å; N216-Y218 PolarHBondContact OD1-N 2.64Å; N216-Y218 PolarHBondContact OD1-O 3.07Å | ||
| 217 | R | 96.4 | Very high | 97.4 | Very high | 124 Ų | 124 | 77.1 Ų | 77.1 | 47% | 0.468 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -72.1 | -16 | 179.1 | -53.1 | -64.4 | 143.1 | 85 | 6.1 | 113.1 | F213 Q214 R246 | F213-R217 HydrophobicContact CE2-CB 4.31Å; F213-R217 HydrophobicContact CZ-CB 4.24Å; F213-R217 HydrophobicContact CZ-CG 4.39Å; F213-R217 VanDerWaalsContact O-CD 3.27Å; F213-R217 WeakPolarHBondContact O-CD 3.43Å; F213-R217 PolarHBondContact O-NE 2.72Å; Q214-R217 PolarHBondContact O-NH2 2.66Å; R217-R246 VanDerWaalsContact O-CD 3.29Å; R217-R246 WeakPolarHBondContact O-CD 3.43Å |
| 218 | Y | 97.5 | Very high | 97.3 | Very high | 144 Ų | 144 | 71.5 Ų | 71.5 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -127.4 | 106.9 | -177.5 | -68.9 | -99.5 | 0 | 0 | 0 | 109.6 | N216 R246 | N216-Y218 PolarHBondContact ND2-O 2.86Å; N216-Y218 VanDerWaalsContact ND2-O 3.1Å; N216-Y218 PolarHBondContact O-N 3.38Å; N216-Y218 PolarHBondContact OD1-N 2.64Å; N216-Y218 PolarHBondContact OD1-O 3.07Å; Y218-R246 PolarHBondContact OH-NH1 2.93Å |
| 219 | I | 97 | Very high | 97.3 | Very high | 38 Ų | 38 | 75.4 Ų | 75.4 | 20% | 0.195 | 37% | 0.371 | C | S | . | . | trans | -75.2 | 132 | 179.5 | -162.1 | 168.8 | 0 | 0 | 0 | 111.5 | R223 R224 L227 I238 F242 | I219-R223 HydrophobicContact CD1-CG 4.38Å; I219-R223 HydrophobicContact CG1-CB 4.01Å; I219-R223 HydrophobicContact CG1-CG 4.21Å; I219-R224 HydrophobicContact CD1-CB 3.92Å; I219-R224 HydrophobicContact CG1-CB 4.09Å; I219-R224 HydrophobicContact CG2-CB 4.36Å; I219-L227 HydrophobicContact CD1-CD1 3.57Å; I219-L227 HydrophobicContact CD1-CG 4.43Å; I219-I238 HydrophobicContact CD1-CG2 3.84Å; I219-F242 HydrophobicContact CB-CD1 3.93Å; I219-F242 HydrophobicContact CB-CD2 4.33Å; I219-F242 HydrophobicContact CB-CE1 3.8Å; I219-F242 HydrophobicContact CB-CE2 4.22Å; I219-F242 HydrophobicContact CB-CG 4.2Å; I219-F242 HydrophobicContact CB-CZ 3.96Å; I219-F242 HydrophobicContact CD1-CD2 4.43Å; I219-F242 HydrophobicContact CD1-CE2 3.83Å; I219-F242 HydrophobicContact CD1-CZ 3.96Å; I219-F242 HydrophobicContact CG1-CZ 4.37Å; I219-F242 HydrophobicContact CG2-CB 4.38Å; I219-F242 HydrophobicContact CG2-CD1 4.1Å; I219-F242 HydrophobicContact CG2-CD2 4.08Å; I219-F242 HydrophobicContact CG2-CE1 4.43Å; I219-F242 HydrophobicContact CG2-CE2 4.41Å; I219-F242 HydrophobicContact CG2-CG 3.92Å | ||
| 220 | T | 97.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 79.4 Ų | 79.4 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | trans | -76.2 | 166.2 | 172.3 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | R223 R224 | T220-R223 WeakPolarHBondContact OG1-CB 3.31Å; T220-R223 PolarHBondContact OG1-N 3.02Å; T220-R224 WeakPolarHBondContact O-CB 3.36Å; T220-R224 PolarHBondContact O-N 3.26Å | ||
| 221 | E | 97.7 | Very high | 97.2 | Very high | 117 Ų | 117 | 75.4 Ų | 75.4 | 55% | 0.547 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.4 | -56.1 | 177.4 | -173.5 | 127.2 | -94.8 | 0 | 0 | 112.7 | R223 R224 Q225 | E221-R223 VanDerWaalsContact C-N 3.32Å; E221-R223 PolarHBondContact O-N 3.27Å; E221-R224 WeakPolarHBondContact O-CB 3.4Å; E221-R224 PolarHBondContact O-N 2.74Å; E221-R224 VanDerWaalsContact O-N 3.08Å; E221-R224 IonicContact OE1-CZ 3.34Å; E221-R224 VanDerWaalsContact OE1-CZ 3.29Å; E221-R224 IonicContact OE1-NH1 3.74Å; E221-R224 PolarHBondContact OE1-NH1 3.25Å; E221-R224 IonicContact OE1-NH2 3.29Å; E221-R224 PolarHBondContact OE1-NH2 3.46Å; E221-Q225 PolarHBondContact O-N 2.88Å |
| 222 | Q | 97.6 | Very high | 97.2 | Very high | 159 Ų | 159 | 78.9 Ų | 78.9 | 74% | 0.743 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -56.5 | -43.2 | 179.1 | -172.5 | -175.1 | 7.6 | 0 | 0 | 112.2 | R224 Q225 S226 | Q222-R224 VanDerWaalsContact C-N 3.35Å; Q222-R224 PolarHBondContact O-N 3.33Å; Q222-Q225 PolarHBondContact O-N 3.04Å; Q222-S226 PolarHBondContact O-N 3.1Å; Q222-S226 VanDerWaalsContact O-N 3.08Å |
| 223 | R | 97.5 | Very high | 97.1 | Very high | 73 Ų | 73 | 78.4 Ų | 78.4 | 28% | 0.275 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.8 | -32.5 | 179.2 | -167.3 | 59.6 | 179 | 144.8 | -3 | 112.2 | E212 I219 T220 E221 S226 L227 E230 | E212-R223 IonicContact OE1-CZ 3.07Å; E212-R223 IonicContact OE1-NE 3.88Å; E212-R223 IonicContact OE1-NH2 2.71Å; E212-R223 PolarHBondContact OE1-NH2 3.41Å; E212-R223 IonicContact OE2-CZ 3.1Å; E212-R223 IonicContact OE2-NE 2.77Å; E212-R223 PolarHBondContact OE2-NE 3.5Å; E212-R223 IonicContact OE2-NH2 3.12Å; E212-R223 PolarHBondContact OE2-NH2 3.05Å; E212-R223 VanDerWaalsContact OE2-NH2 3.12Å; I219-R223 HydrophobicContact CD1-CG 4.38Å; I219-R223 HydrophobicContact CG1-CB 4.01Å; I219-R223 HydrophobicContact CG1-CG 4.21Å; T220-R223 WeakPolarHBondContact OG1-CB 3.31Å; T220-R223 PolarHBondContact OG1-N 3.02Å; E221-R223 VanDerWaalsContact C-N 3.32Å; E221-R223 PolarHBondContact O-N 3.27Å; R223-S226 PolarHBondContact NH1-OG 3.02Å; R223-S226 PolarHBondContact O-N 2.73Å; R223-L227 WeakPolarHBondContact O-CG 3.33Å; R223-L227 PolarHBondContact O-N 2.98Å; R223-E230 IonicContact CZ-OE1 2.72Å; R223-E230 IonicContact NH1-OE1 2.66Å; R223-E230 PolarHBondContact NH1-OE1 3.08Å; R223-E230 IonicContact NH2-OE1 3.8Å |
| 224 | R | 98.1 | Very high | 97 | Very high | 40 Ų | 40 | 83.4 Ų | 83.4 | 15% | 0.151 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 174.7 | -174.5 | -173.4 | 72.9 | -135.7 | 6.8 | 111.9 | I219 T220 E221 Q222 A228 E235 I238 | I219-R224 HydrophobicContact CD1-CB 3.92Å; I219-R224 HydrophobicContact CG1-CB 4.09Å; I219-R224 HydrophobicContact CG2-CB 4.36Å; T220-R224 WeakPolarHBondContact O-CB 3.36Å; T220-R224 PolarHBondContact O-N 3.26Å; E221-R224 WeakPolarHBondContact O-CB 3.4Å; E221-R224 PolarHBondContact O-N 2.74Å; E221-R224 VanDerWaalsContact O-N 3.08Å; E221-R224 IonicContact OE1-CZ 3.34Å; E221-R224 VanDerWaalsContact OE1-CZ 3.29Å; E221-R224 IonicContact OE1-NH1 3.74Å; E221-R224 PolarHBondContact OE1-NH1 3.25Å; E221-R224 IonicContact OE1-NH2 3.29Å; E221-R224 PolarHBondContact OE1-NH2 3.46Å; Q222-R224 VanDerWaalsContact C-N 3.35Å; Q222-R224 PolarHBondContact O-N 3.33Å; R224-A228 VanDerWaalsContact O-CB 3.31Å; R224-A228 WeakPolarHBondContact O-CB 3.31Å; R224-A228 PolarHBondContact O-N 3.43Å; R224-E235 HydrophobicContact CG-CB 4.09Å; R224-E235 HydrophobicContact CG-CG 4.33Å; R224-E235 IonicContact CZ-OE2 3.7Å; R224-E235 IonicContact NE-OE2 2.84Å; R224-E235 PolarHBondContact NE-OE2 3.1Å; R224-E235 IonicContact NH2-OE2 2.64Å; R224-E235 PolarHBondContact NH2-OE2 3.28Å; R224-I238 HydrophobicContact CG-CB 4.31Å; R224-I238 HydrophobicContact CG-CG2 4.17Å |
| 225 | Q | 98.2 | Very high | 97 | Very high | 90 Ų | 90 | 80.2 Ų | 80.2 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 173.9 | -71.7 | 170.9 | -13.7 | 0 | 0 | 111.6 | E221 Q222 L227 A228 Q229 E235 | E221-Q225 PolarHBondContact O-N 2.88Å; Q222-Q225 PolarHBondContact O-N 3.04Å; Q225-L227 PolarHBondContact O-N 3.13Å; Q225-A228 WeakPolarHBondContact O-CB 3.34Å; Q225-A228 PolarHBondContact O-N 3.01Å; Q225-A228 VanDerWaalsContact O-N 3.16Å; Q225-Q229 PolarHBondContact O-N 2.86Å; Q225-Q229 VanDerWaalsContact O-N 3.14Å; Q225-E235 HydrophobicContact CG-CG 4.44Å; Q225-E235 WeakPolarHBondContact CG-OE2 3.28Å |
| 226 | S | 97.5 | Very high | 97 | Very high | 38 Ų | 38 | 79.6 Ų | 79.6 | 27% | 0.266 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 177.4 | 140.5 | 0 | 0 | 0 | 0 | 112.1 | Q222 R223 A228 Q229 E230 | Q222-S226 PolarHBondContact O-N 3.1Å; Q222-S226 VanDerWaalsContact O-N 3.08Å; R223-S226 PolarHBondContact NH1-OG 3.02Å; R223-S226 PolarHBondContact O-N 2.73Å; S226-A228 VanDerWaalsContact C-N 3.33Å; S226-A228 PolarHBondContact O-N 3.48Å; S226-Q229 PolarHBondContact O-N 3.17Å; S226-E230 WeakPolarHBondContact O-CG 3.35Å; S226-E230 PolarHBondContact O-N 2.88Å; S226-E230 PolarHBondContact OG-OE1 2.98Å; S226-E230 VanDerWaalsContact OG-OE1 3.09Å |
| 227 | L | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.3 | -27.6 | 174.6 | -67.8 | -176.3 | 0 | 0 | 0 | 113.9 | R208 E212 I219 R223 Q225 Q229 L231 I238 | R208-L227 HydrophobicContact CG-CD2 4.28Å; E212-L227 HydrophobicContact CB-CD1 3.9Å; E212-L227 HydrophobicContact CG-CD1 3.62Å; E212-L227 HydrophobicContact CG-CD2 3.83Å; E212-L227 HydrophobicContact CG-CG 4.32Å; I219-L227 HydrophobicContact CD1-CD1 3.57Å; I219-L227 HydrophobicContact CD1-CG 4.43Å; R223-L227 WeakPolarHBondContact O-CG 3.33Å; R223-L227 PolarHBondContact O-N 2.98Å; Q225-L227 PolarHBondContact O-N 3.13Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; L227-L231 VanDerWaalsContact O-CB 3.29Å; L227-L231 WeakPolarHBondContact O-CB 3.37Å; L227-L231 WeakPolarHBondContact O-CG 3.36Å; L227-L231 PolarHBondContact O-N 3.01Å; L227-I238 VanDerWaalsContact C-CD1 3.48Å; L227-I238 HydrophobicContact CB-CD1 3.77Å |
| 228 | A | 97.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 71.6 Ų | 71.6 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R224 Q225 S226 N232 L233 E235 I238 | R224-A228 VanDerWaalsContact O-CB 3.31Å; R224-A228 WeakPolarHBondContact O-CB 3.31Å; R224-A228 PolarHBondContact O-N 3.43Å; Q225-A228 WeakPolarHBondContact O-CB 3.34Å; Q225-A228 PolarHBondContact O-N 3.01Å; Q225-A228 VanDerWaalsContact O-N 3.16Å; S226-A228 VanDerWaalsContact C-N 3.33Å; S226-A228 PolarHBondContact O-N 3.48Å; A228-N232 WeakPolarHBondContact O-CA 3.43Å; A228-N232 PolarHBondContact O-N 3Å; A228-N232 VanDerWaalsContact O-N 3.07Å; A228-L233 CarbonylContact C-O 3.6Å; A228-L233 VanDerWaalsContact CA-O 3.25Å; A228-L233 WeakPolarHBondContact CA-O 3.2Å; A228-L233 WeakPolarHBondContact CB-O 3.31Å; A228-L233 PolarHBondContact O-N 2.99Å; A228-E235 HydrophobicContact CB-CG 3.82Å; A228-I238 HydrophobicContact CB-CD1 4.04Å; A228-I238 VanDerWaalsContact N-CD1 3.34Å |
| 229 | Q | 97.4 | Very high | 97.1 | Very high | 158 Ų | 158 | 70 Ų | 70 | 74% | 0.738 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.6 | -49.9 | 173.9 | -67.6 | -179.7 | -23.4 | 0 | 0 | 112.1 | Q225 S226 L227 L231 N232 | Q225-Q229 PolarHBondContact O-N 2.86Å; Q225-Q229 VanDerWaalsContact O-N 3.14Å; S226-Q229 PolarHBondContact O-N 3.17Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; Q229-L231 PolarHBondContact O-N 3.39Å; Q229-N232 PolarHBondContact O-N 3.3Å |
| 230 | E | 96.6 | Very high | 97.1 | Very high | 84 Ų | 84 | 72.1 Ų | 72.1 | 39% | 0.393 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55 | -36.1 | 178.9 | -73.7 | 176.8 | -137.2 | 0 | 0 | 112.7 | R208 R223 S226 | R208-E230 IonicContact CZ-OE2 3.16Å; R208-E230 IonicContact NE-OE2 2.78Å; R208-E230 PolarHBondContact NE-OE2 3.4Å; R208-E230 IonicContact NH2-OE1 3.51Å; R208-E230 IonicContact NH2-OE2 2.72Å; R208-E230 PolarHBondContact NH2-OE2 3.4Å; R223-E230 IonicContact CZ-OE1 2.72Å; R223-E230 IonicContact NH1-OE1 2.66Å; R223-E230 PolarHBondContact NH1-OE1 3.08Å; R223-E230 IonicContact NH2-OE1 3.8Å; S226-E230 WeakPolarHBondContact O-CG 3.35Å; S226-E230 PolarHBondContact O-N 2.88Å; S226-E230 PolarHBondContact OG-OE1 2.98Å; S226-E230 VanDerWaalsContact OG-OE1 3.09Å |
| 231 | L | 95.8 | Very high | 97 | Very high | 14 Ų | 14 | 69.7 Ų | 69.7 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -105.8 | -1.5 | -172.6 | -63.8 | -177.1 | 0 | 0 | 0 | 115.1 | Q205 R208 L209 L227 Q229 L233 | Q205-L231 HydrophobicContact CG-CB 4.24Å; Q205-L231 HydrophobicContact CG-CD2 4.19Å; Q205-L231 PolarHBondContact NE2-O 3.41Å; R208-L231 HydrophobicContact CB-CD1 4.11Å; R208-L231 HydrophobicContact CB-CD2 3.8Å; R208-L231 HydrophobicContact CB-CG 4.46Å; R208-L231 HydrophobicContact CG-CD1 4.13Å; R208-L231 HydrophobicContact CG-CD2 3.89Å; R208-L231 HydrophobicContact CG-CG 4.27Å; L209-L231 HydrophobicContact CD1-CD1 4.39Å; L209-L231 HydrophobicContact CD2-CD1 4.03Å; L209-L231 HydrophobicContact CG-CD1 3.78Å; L227-L231 VanDerWaalsContact O-CB 3.29Å; L227-L231 WeakPolarHBondContact O-CB 3.37Å; L227-L231 WeakPolarHBondContact O-CG 3.36Å; L227-L231 PolarHBondContact O-N 3.01Å; Q229-L231 PolarHBondContact O-N 3.39Å; L231-L233 VanDerWaalsContact C-N 3.29Å; L231-L233 HydrophobicContact CB-CB 4.44Å; L231-L233 HydrophobicContact CB-CD1 4.02Å; L231-L233 HydrophobicContact CB-CG 4.03Å; L231-L233 HydrophobicContact CD1-CD1 4.37Å; L231-L233 PolarHBondContact O-N 3.13Å |
| 232 | N | 96.7 | Very high | 97 | Very high | 148 Ų | 148 | 64.4 Ų | 64.4 | 79% | 0.791 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 47.2 | -171 | -64.4 | -80.2 | 0 | 0 | 0 | 112.4 | A228 Q229 | A228-N232 WeakPolarHBondContact O-CA 3.43Å; A228-N232 PolarHBondContact O-N 3Å; A228-N232 VanDerWaalsContact O-N 3.07Å; Q229-N232 PolarHBondContact O-N 3.3Å |
| 233 | L | 95.4 | Very high | 97.1 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | trans | -123.4 | 150.3 | -179.4 | -69.2 | -179.7 | 0 | 0 | 0 | 110.9 | F201 Q205 L209 A228 L231 I238 | F201-L233 HydrophobicContact CD1-CD1 3.68Å; F201-L233 HydrophobicContact CD1-CD2 3.83Å; F201-L233 HydrophobicContact CD1-CG 4.43Å; F201-L233 HydrophobicContact CE1-CD1 3.76Å; F201-L233 HydrophobicContact CE1-CD2 3.84Å; F201-L233 HydrophobicContact CE1-CG 4.42Å; Q205-L233 HydrophobicContact CB-CD1 4.42Å; Q205-L233 HydrophobicContact CG-CD1 4.29Å; L209-L233 HydrophobicContact CD1-CD1 4.45Å; A228-L233 CarbonylContact C-O 3.6Å; A228-L233 VanDerWaalsContact CA-O 3.25Å; A228-L233 WeakPolarHBondContact CA-O 3.2Å; A228-L233 WeakPolarHBondContact CB-O 3.31Å; A228-L233 PolarHBondContact O-N 2.99Å; L231-L233 VanDerWaalsContact C-N 3.29Å; L231-L233 HydrophobicContact CB-CB 4.44Å; L231-L233 HydrophobicContact CB-CD1 4.02Å; L231-L233 HydrophobicContact CB-CG 4.03Å; L231-L233 HydrophobicContact CD1-CD1 4.37Å; L231-L233 PolarHBondContact O-N 3.13Å; L233-I238 HydrophobicContact CB-CD1 4.41Å; L233-I238 HydrophobicContact CB-CG1 4.29Å | ||
| 234 | N | 96.8 | Very high | 97 | Very high | 113 Ų | 113 | 62.7 Ų | 62.7 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | trans | -68.7 | 141.2 | 172.8 | -66.2 | -91.3 | 0 | 0 | 0 | 110.5 | S236 Q237 I238 | N234-S236 PolarHBondContact O-N 3.48Å; N234-S236 VanDerWaalsContact O-N 3.07Å; N234-Q237 HydrophobicContact CB-CG 4.19Å; N234-Q237 PolarHBondContact ND2-OE1 2.91Å; N234-Q237 WeakPolarHBondContact O-CA 3.38Å; N234-Q237 WeakPolarHBondContact O-CB 3.29Å; N234-Q237 PolarHBondContact O-N 2.96Å; N234-I238 PolarHBondContact O-N 3.4Å | ||
| 235 | E | 97.3 | Very high | 96.9 | Very high | 64 Ų | 64 | 64 Ų | 64 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -51.4 | -36.4 | 174.5 | -69.2 | -169.8 | -110.9 | 0 | 0 | 113.4 | R224 Q225 A228 I238 K239 | R224-E235 HydrophobicContact CG-CB 4.09Å; R224-E235 HydrophobicContact CG-CG 4.33Å; R224-E235 IonicContact CZ-OE2 3.7Å; R224-E235 IonicContact NE-OE2 2.84Å; R224-E235 PolarHBondContact NE-OE2 3.1Å; R224-E235 IonicContact NH2-OE2 2.64Å; R224-E235 PolarHBondContact NH2-OE2 3.28Å; Q225-E235 HydrophobicContact CG-CG 4.44Å; Q225-E235 WeakPolarHBondContact CG-OE2 3.28Å; A228-E235 HydrophobicContact CB-CG 3.82Å; E235-I238 PolarHBondContact O-N 3.49Å; E235-K239 WeakPolarHBondContact O-CB 3.21Å; E235-K239 PolarHBondContact O-N 3.21Å |
| 236 | S | 96.5 | Very high | 96.8 | Very high | 74 Ų | 74 | 63.9 Ų | 63.9 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -39 | 175.6 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | N234 K239 I240 | N234-S236 PolarHBondContact O-N 3.48Å; N234-S236 VanDerWaalsContact O-N 3.07Å; S236-K239 PolarHBondContact O-N 3.37Å; S236-I240 WeakPolarHBondContact O-CB 3.35Å; S236-I240 WeakPolarHBondContact O-CD1 3.48Å; S236-I240 WeakPolarHBondContact O-CG1 3.21Å; S236-I240 PolarHBondContact O-N 2.82Å |
| 237 | Q | 96.2 | Very high | 96.7 | Very high | 38 Ų | 38 | 64.2 Ų | 64.2 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.1 | -69.8 | 171.3 | -71.6 | 0 | 0 | 111 | T199 F201 N234 I240 W241 | T199-Q237 PolarHBondContact OG1-NE2 3.08Å; F201-Q237 HydrophobicContact CE1-CB 4.03Å; F201-Q237 HydrophobicContact CZ-CB 3.99Å; N234-Q237 HydrophobicContact CB-CG 4.19Å; N234-Q237 PolarHBondContact ND2-OE1 2.91Å; N234-Q237 WeakPolarHBondContact O-CA 3.38Å; N234-Q237 WeakPolarHBondContact O-CB 3.29Å; N234-Q237 PolarHBondContact O-N 2.96Å; Q237-I240 PolarHBondContact O-N 2.92Å; Q237-W241 WeakPolarHBondContact O-CB 3.47Å; Q237-W241 PolarHBondContact O-N 3.15Å |
| 238 | I | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 175.2 | -60.5 | -179.2 | 0 | 0 | 0 | 110.5 | L209 I219 R224 L227 A228 L233 N234 E235 I240 W241 F242 | L209-I238 HydrophobicContact CD2-CG1 4.32Å; L209-I238 HydrophobicContact CD2-CG2 4.02Å; I219-I238 HydrophobicContact CD1-CG2 3.84Å; R224-I238 HydrophobicContact CG-CB 4.31Å; R224-I238 HydrophobicContact CG-CG2 4.17Å; L227-I238 VanDerWaalsContact C-CD1 3.48Å; L227-I238 HydrophobicContact CB-CD1 3.77Å; A228-I238 HydrophobicContact CB-CD1 4.04Å; A228-I238 VanDerWaalsContact N-CD1 3.34Å; L233-I238 HydrophobicContact CB-CD1 4.41Å; L233-I238 HydrophobicContact CB-CG1 4.29Å; N234-I238 PolarHBondContact O-N 3.4Å; E235-I238 PolarHBondContact O-N 3.49Å; I238-I240 PolarHBondContact O-N 3.06Å; I238-W241 PolarHBondContact O-N 3.08Å; I238-W241 VanDerWaalsContact O-N 3.14Å; I238-F242 HydrophobicContact CG2-CD2 3.85Å; I238-F242 HydrophobicContact CG2-CE2 3.92Å; I238-F242 WeakPolarHBondContact O-CD2 3.36Å; I238-F242 PolarHBondContact O-N 3.4Å |
| 239 | K | 97.2 | Very high | 96.2 | Very high | 110 Ų | 110 | 74.6 Ų | 74.6 | 48% | 0.478 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.2 | -47.9 | 175.3 | -176.9 | 175.8 | -179.4 | 175 | 0 | 111.8 | E235 S236 F242 Q243 | E235-K239 WeakPolarHBondContact O-CB 3.21Å; E235-K239 PolarHBondContact O-N 3.21Å; S236-K239 PolarHBondContact O-N 3.37Å; K239-F242 PolarHBondContact O-N 3.02Å; K239-Q243 VanDerWaalsContact O-CG 3.28Å; K239-Q243 WeakPolarHBondContact O-CG 3.37Å; K239-Q243 PolarHBondContact O-N 3.26Å |
| 240 | I | 96.8 | Very high | 95.8 | Very high | 82 Ų | 82 | 74.5 Ų | 74.5 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 177 | -70.4 | 164.7 | 0 | 0 | 0 | 111 | S236 Q237 I238 Q243 N244 | S236-I240 WeakPolarHBondContact O-CB 3.35Å; S236-I240 WeakPolarHBondContact O-CD1 3.48Å; S236-I240 WeakPolarHBondContact O-CG1 3.21Å; S236-I240 PolarHBondContact O-N 2.82Å; Q237-I240 PolarHBondContact O-N 2.92Å; I238-I240 PolarHBondContact O-N 3.06Å; I240-Q243 PolarHBondContact O-N 3.15Å; I240-N244 WeakPolarHBondContact CG2-ND2 3.25Å; I240-N244 WeakPolarHBondContact O-CB 3.36Å; I240-N244 VanDerWaalsContact O-CG 3.32Å; I240-N244 PolarHBondContact O-N 3.36Å; I240-N244 PolarHBondContact O-ND2 3.5Å; I240-N244 VanDerWaalsContact O-ND2 3.15Å |
| 241 | W | 97.3 | Very high | 95.3 | Very high | 30 Ų | 30 | 79.1 Ų | 79.1 | 11% | 0.114 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 177.1 | -173 | 102.6 | 0 | 0 | 0 | 111.6 | F201 L206 L209 K210 F213 Q237 I238 Q243 N244 K245 | F201-W241 AromaticContact CD2-CD1 3.82Å; F201-W241 HydrophobicContact CE2-CB 4.41Å; F201-W241 AromaticContact CE2-CD1 3.66Å; F201-W241 HydrophobicContact CE2-CG 4.42Å; L206-W241 VanDerWaalsContact CD2-NE1 3.33Å; L209-W241 VanDerWaalsContact C-CH2 3.47Å; L209-W241 HydrophobicContact CB-CD2 4.07Å; L209-W241 HydrophobicContact CB-CE3 4.05Å; L209-W241 HydrophobicContact CB-CH2 3.72Å; L209-W241 HydrophobicContact CB-CZ2 3.7Å; L209-W241 HydrophobicContact CB-CZ3 3.9Å; L209-W241 HydrophobicContact CD1-CD2 4Å; L209-W241 HydrophobicContact CD1-CG 3.98Å; L209-W241 HydrophobicContact CD2-CE3 4.46Å; L209-W241 HydrophobicContact CG-CD2 4.47Å; L209-W241 VanDerWaalsContact O-CH2 3.26Å; L209-W241 WeakPolarHBondContact O-CH2 3.41Å; L209-W241 WeakPolarHBondContact O-CZ3 3.34Å; K210-W241 HydrophobicContact CG-CH2 4.46Å; K210-W241 HydrophobicContact CG-CZ2 4.36Å; F213-W241 HydrophobicContact CB-CH2 4.06Å; F213-W241 HydrophobicContact CB-CZ3 3.88Å; F213-W241 HydrophobicContact CD2-CZ3 4.12Å; F213-W241 HydrophobicContact CG-CH2 4.46Å; F213-W241 HydrophobicContact CG-CZ3 4.19Å; Q237-W241 WeakPolarHBondContact O-CB 3.47Å; Q237-W241 PolarHBondContact O-N 3.15Å; I238-W241 PolarHBondContact O-N 3.08Å; I238-W241 VanDerWaalsContact O-N 3.14Å; W241-Q243 PolarHBondContact O-N 3.39Å; W241-N244 PolarHBondContact O-N 3.34Å; W241-K245 HydrophobicContact CE3-CB 4.18Å; W241-K245 HydrophobicContact CH2-CB 4.33Å; W241-K245 HydrophobicContact CH2-CD 4.22Å; W241-K245 HydrophobicContact CH2-CG 4.02Å; W241-K245 HydrophobicContact CZ3-CB 4.01Å; W241-K245 HydrophobicContact CZ3-CG 4.02Å; W241-K245 VanDerWaalsContact O-CB 3.3Å; W241-K245 WeakPolarHBondContact O-CB 3.43Å; W241-K245 PolarHBondContact O-N 3.09Å |
| 242 | F | 98 | Very high | 94.7 | Very high | 6 Ų | 6 | 82.4 Ų | 82.4 | 3% | 0.026 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 177.2 | -91.1 | -102.3 | 0 | 0 | 0 | 112.2 | L209 E212 F213 I219 I238 K239 K245 R246 | L209-F242 HydrophobicContact CD2-CE2 4.02Å; E212-F242 HydrophobicContact CB-CZ 4.25Å; F213-F242 HydrophobicContact CB-CE1 4.23Å; F213-F242 HydrophobicContact CB-CZ 4.39Å; F213-F242 AromaticContact CD2-CD1 3.72Å; F213-F242 HydrophobicContact CD2-CD1 3.72Å; F213-F242 AromaticContact CD2-CE1 3.77Å; F213-F242 HydrophobicContact CD2-CE1 3.77Å; F213-F242 HydrophobicContact CE2-CD1 4.31Å; F213-F242 HydrophobicContact CG-CE1 4.5Å; I219-F242 HydrophobicContact CB-CD1 3.93Å; I219-F242 HydrophobicContact CB-CD2 4.33Å; I219-F242 HydrophobicContact CB-CE1 3.8Å; I219-F242 HydrophobicContact CB-CE2 4.22Å; I219-F242 HydrophobicContact CB-CG 4.2Å; I219-F242 HydrophobicContact CB-CZ 3.96Å; I219-F242 HydrophobicContact CD1-CD2 4.43Å; I219-F242 HydrophobicContact CD1-CE2 3.83Å; I219-F242 HydrophobicContact CD1-CZ 3.96Å; I219-F242 HydrophobicContact CG1-CZ 4.37Å; I219-F242 HydrophobicContact CG2-CB 4.38Å; I219-F242 HydrophobicContact CG2-CD1 4.1Å; I219-F242 HydrophobicContact CG2-CD2 4.08Å; I219-F242 HydrophobicContact CG2-CE1 4.43Å; I219-F242 HydrophobicContact CG2-CE2 4.41Å; I219-F242 HydrophobicContact CG2-CG 3.92Å; I238-F242 HydrophobicContact CG2-CD2 3.85Å; I238-F242 HydrophobicContact CG2-CE2 3.92Å; I238-F242 WeakPolarHBondContact O-CD2 3.36Å; I238-F242 PolarHBondContact O-N 3.4Å; K239-F242 PolarHBondContact O-N 3.02Å; F242-K245 PolarHBondContact O-N 2.81Å; F242-R246 PolarHBondContact O-N 3.08Å |
| 243 | Q | 97.8 | Very high | 93.9 | Very high | 94 Ų | 94 | 79.9 Ų | 79.9 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -49 | 173.4 | -73.1 | 173.9 | 2.7 | 0 | 0 | 111.7 | K239 I240 W241 K245 R246 A247 | K239-Q243 VanDerWaalsContact O-CG 3.28Å; K239-Q243 WeakPolarHBondContact O-CG 3.37Å; K239-Q243 PolarHBondContact O-N 3.26Å; I240-Q243 PolarHBondContact O-N 3.15Å; W241-Q243 PolarHBondContact O-N 3.39Å; Q243-K245 VanDerWaalsContact C-N 3.34Å; Q243-K245 PolarHBondContact O-N 3.3Å; Q243-R246 PolarHBondContact O-N 3.33Å; Q243-A247 WeakPolarHBondContact O-CB 3.41Å; Q243-A247 PolarHBondContact O-N 2.92Å |
| 244 | N | 96.8 | Very high | 92.6 | Very high | 101 Ų | 101 | 81.4 Ų | 81.4 | 54% | 0.54 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 177.6 | -77.8 | -36.4 | 0 | 0 | 0 | 112.4 | I240 W241 A247 K248 | I240-N244 WeakPolarHBondContact CG2-ND2 3.25Å; I240-N244 WeakPolarHBondContact O-CB 3.36Å; I240-N244 VanDerWaalsContact O-CG 3.32Å; I240-N244 PolarHBondContact O-N 3.36Å; I240-N244 PolarHBondContact O-ND2 3.5Å; I240-N244 VanDerWaalsContact O-ND2 3.15Å; W241-N244 PolarHBondContact O-N 3.34Å; N244-A247 PolarHBondContact O-N 2.95Å; N244-K248 WeakPolarHBondContact O-CB 3.5Å; N244-K248 PolarHBondContact O-N 2.9Å |
| 245 | K | 96.3 | Very high | 91.2 | Very high | 68 Ų | 68 | 85.3 Ų | 85.3 | 30% | 0.296 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | 177.6 | -177.5 | 65.4 | 174.6 | 178.4 | 0 | 111.5 | F213 W241 F242 Q243 K248 I249 | F213-K245 HydrophobicContact CD1-CD 4.35Å; F213-K245 HydrophobicContact CD1-CG 3.73Å; F213-K245 HydrophobicContact CD2-CB 4.19Å; F213-K245 HydrophobicContact CD2-CG 3.6Å; F213-K245 HydrophobicContact CE1-CD 4.33Å; F213-K245 HydrophobicContact CE1-CG 3.63Å; F213-K245 HydrophobicContact CE2-CB 3.98Å; F213-K245 HydrophobicContact CE2-CG 3.5Å; F213-K245 VanDerWaalsContact CE2-CG 3.5Å; F213-K245 HydrophobicContact CG-CG 3.73Å; F213-K245 HydrophobicContact CZ-CB 4.34Å; F213-K245 HydrophobicContact CZ-CG 3.52Å; W241-K245 HydrophobicContact CE3-CB 4.18Å; W241-K245 HydrophobicContact CH2-CB 4.33Å; W241-K245 HydrophobicContact CH2-CD 4.22Å; W241-K245 HydrophobicContact CH2-CG 4.02Å; W241-K245 HydrophobicContact CZ3-CB 4.01Å; W241-K245 HydrophobicContact CZ3-CG 4.02Å; W241-K245 VanDerWaalsContact O-CB 3.3Å; W241-K245 WeakPolarHBondContact O-CB 3.43Å; W241-K245 PolarHBondContact O-N 3.09Å; F242-K245 PolarHBondContact O-N 2.81Å; Q243-K245 VanDerWaalsContact C-N 3.34Å; Q243-K245 PolarHBondContact O-N 3.3Å; K245-K248 PolarHBondContact O-N 3.3Å; K245-I249 WeakPolarHBondContact O-CG1 3.35Å; K245-I249 PolarHBondContact O-N 3.11Å; K245-I249 VanDerWaalsContact O-N 3.11Å |
| 246 | R | 96.3 | Very high | 89.8 | Confident | 88 Ų | 88 | 89.5 Ų | 89.5 | 33% | 0.332 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 172.2 | -73.7 | -164.8 | -73 | 126.3 | -2 | 112.1 | F213 R217 Y218 F242 Q243 K248 I249 K250 | F213-R246 HydrophobicContact CE2-CG 3.81Å; F213-R246 HydrophobicContact CZ-CG 4.03Å; R217-R246 VanDerWaalsContact O-CD 3.29Å; R217-R246 WeakPolarHBondContact O-CD 3.43Å; Y218-R246 PolarHBondContact OH-NH1 2.93Å; F242-R246 PolarHBondContact O-N 3.08Å; Q243-R246 PolarHBondContact O-N 3.33Å; R246-K248 PolarHBondContact O-N 3.05Å; R246-I249 PolarHBondContact O-N 2.66Å; R246-K250 PolarHBondContact O-N 3.08Å |
| 247 | A | 94.4 | Very high | 88.9 | Confident | 44 Ų | 44 | 91 Ų | 91 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q243 N244 K250 K251 | Q243-A247 WeakPolarHBondContact O-CB 3.41Å; Q243-A247 PolarHBondContact O-N 2.92Å; N244-A247 PolarHBondContact O-N 2.95Å; A247-K250 PolarHBondContact O-N 3.41Å; A247-K251 WeakPolarHBondContact O-CG 3.32Å; A247-K251 PolarHBondContact O-N 3.22Å |
| 248 | K | 93.2 | Very high | 88 | Confident | 156 Ų | 156 | 91.8 Ų | 91.8 | 68% | 0.678 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 174.8 | -174 | 172.9 | -179.7 | 176.9 | 0 | 111.5 | N244 K245 R246 K251 A252 | N244-K248 WeakPolarHBondContact O-CB 3.5Å; N244-K248 PolarHBondContact O-N 2.9Å; K245-K248 PolarHBondContact O-N 3.3Å; R246-K248 PolarHBondContact O-N 3.05Å; K248-K251 PolarHBondContact O-N 3.43Å; K248-A252 WeakPolarHBondContact O-CB 3.47Å; K248-A252 PolarHBondContact O-N 2.95Å |
| 249 | I | 91.1 | Very high | 87.2 | Confident | 75 Ų | 75 | 96 Ų | 96 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 176.5 | -69.5 | 166.4 | 0 | 0 | 0 | 110.9 | F213 K245 R246 K251 A252 S253 | F213-I249 HydrophobicContact CE1-CD1 3.34Å; F213-I249 HydrophobicContact CZ-CD1 3.59Å; K245-I249 WeakPolarHBondContact O-CG1 3.35Å; K245-I249 PolarHBondContact O-N 3.11Å; K245-I249 VanDerWaalsContact O-N 3.11Å; R246-I249 PolarHBondContact O-N 2.66Å; I249-K251 PolarHBondContact O-N 2.86Å; I249-A252 CarbonylContact O-C 3.59Å; I249-A252 PolarHBondContact O-N 3.05Å; I249-S253 VanDerWaalsContact O-CB 3.31Å; I249-S253 WeakPolarHBondContact O-CB 3.43Å; I249-S253 PolarHBondContact O-N 3.27Å |
| 250 | K | 89.6 | Confident | 86.2 | Confident | 157 Ų | 157 | 91.8 Ų | 91.8 | 68% | 0.683 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -56.7 | -38.8 | 176.3 | -170.2 | 173 | 73 | 163.8 | 0 | 112.2 | R246 A247 | R246-K250 PolarHBondContact O-N 3.08Å; A247-K250 PolarHBondContact O-N 3.41Å |
| 251 | K | 85.7 | Confident | 85.4 | Confident | 180 Ų | 180 | 92.5 Ų | 92.5 | 78% | 0.783 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -72.4 | -32 | 175.6 | -69.3 | 178.9 | 70.7 | 172.5 | 0 | 113.5 | A247 K248 I249 | A247-K251 WeakPolarHBondContact O-CG 3.32Å; A247-K251 PolarHBondContact O-N 3.22Å; K248-K251 PolarHBondContact O-N 3.43Å; I249-K251 PolarHBondContact O-N 2.86Å |
| 252 | A | 82.7 | Confident | 84.7 | Confident | 83 Ų | 83 | 95.1 Ų | 95.1 | 69% | 0.686 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -79.6 | -28.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K248 I249 G254 | K248-A252 WeakPolarHBondContact O-CB 3.47Å; K248-A252 PolarHBondContact O-N 2.95Å; I249-A252 CarbonylContact O-C 3.59Å; I249-A252 PolarHBondContact O-N 3.05Å; A252-G254 PolarHBondContact O-N 3.24Å |
| 253 | S | 81.1 | Confident | 83.9 | Confident | 96 Ų | 96 | 96 Ų | 96 | 67% | 0.671 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 18.8 | -177.9 | -167.1 | 0 | 0 | 0 | 0 | 114.9 | I249 Y255 | I249-S253 VanDerWaalsContact O-CB 3.31Å; I249-S253 WeakPolarHBondContact O-CB 3.43Å; I249-S253 PolarHBondContact O-N 3.27Å; S253-Y255 VanDerWaalsContact C-N 3.28Å; S253-Y255 PolarHBondContact O-N 3.3Å; S253-Y255 VanDerWaalsContact O-N 3.1Å |
| 254 | G | 66.2 | Low | 83.1 | Confident | 51 Ų | 51 | 93.9 Ų | 93.9 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -1.9 | 167 | 0 | 0 | 0 | 0 | 0 | 117.4 | A252 K256 | A252-G254 PolarHBondContact O-N 3.24Å; G254-K256 PolarHBondContact O-N 3.29Å |
| 255 | Y | 67.9 | Low | 82.3 | Confident | 195 Ų | 195 | 93.3 Ų | 93.3 | 77% | 0.765 | 51% | 0.505 | S | S | * | . | trans | -70.9 | 74.8 | 169.7 | -161.5 | -91.6 | 0 | 0 | 0 | 110.2 | S253 N257 | S253-Y255 VanDerWaalsContact C-N 3.28Å; S253-Y255 PolarHBondContact O-N 3.3Å; S253-Y255 VanDerWaalsContact O-N 3.1Å; Y255-N257 PolarHBondContact O-N 3.38Å | ||
| 256 | K | 68.6 | Low | 81.7 | Confident | 152 Ų | 152 | 94.1 Ų | 94.1 | 66% | 0.661 | 51% | 0.509 | S | S | * | . | trans | -65.3 | 118.8 | 170.9 | -63.4 | 175.6 | -174.8 | 177.5 | 0 | 106.4 | G254 G258 | G254-K256 PolarHBondContact O-N 3.29Å; K256-G258 PolarHBondContact O-N 3.25Å; K256-G258 VanDerWaalsContact O-N 3.15Å | ||
| 257 | N | 77.1 | Confident | 81 | Confident | 106 Ų | 106 | 92.2 Ų | 92.2 | 57% | 0.567 | 52% | 0.517 | S | S | * | . | trans | -55 | 124.1 | 175.4 | -53.3 | -74.9 | 0 | 0 | 0 | 108.3 | Y255 L259 A260 L261 | Y255-N257 PolarHBondContact O-N 3.38Å; N257-L259 PolarHBondContact O-N 3.25Å; N257-L259 VanDerWaalsContact O-N 3.15Å; N257-A260 HydrophobicContact CB-CB 4.22Å; N257-A260 WeakPolarHBondContact O-CA 3.47Å; N257-A260 WeakPolarHBondContact O-CB 3.33Å; N257-A260 PolarHBondContact O-N 3.31Å; N257-L261 PolarHBondContact O-N 2.77Å | ||
| 258 | G | 78.5 | Confident | 80.3 | Confident | 53 Ų | 53 | 91.4 Ų | 91.4 | 55% | 0.546 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -54.1 | -38.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | K256 A260 L261 Q262 | K256-G258 PolarHBondContact O-N 3.25Å; K256-G258 VanDerWaalsContact O-N 3.15Å; G258-A260 VanDerWaalsContact C-N 3.33Å; G258-A260 PolarHBondContact O-N 3.03Å; G258-L261 WeakPolarHBondContact O-CA 3.27Å; G258-L261 WeakPolarHBondContact O-CB 3.46Å; G258-L261 PolarHBondContact O-N 2.69Å; G258-Q262 PolarHBondContact O-N 3.48Å |
| 259 | L | 79.9 | Confident | 79.4 | Confident | 90 Ų | 90 | 89.2 Ų | 89.2 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.9 | -40.8 | 171.9 | 179.1 | 62.1 | 0 | 0 | 0 | 113.4 | W163 N257 L261 Q262 L263 | W163-L259 HydrophobicContact CE3-CD1 4.5Å; W163-L259 HydrophobicContact CH2-CD1 3.53Å; W163-L259 HydrophobicContact CZ3-CD1 3.49Å; W163-L259 VanDerWaalsContact CZ3-CD1 3.49Å; N257-L259 PolarHBondContact O-N 3.25Å; N257-L259 VanDerWaalsContact O-N 3.15Å; L259-L261 VanDerWaalsContact C-N 3.31Å; L259-L261 PolarHBondContact O-N 3.17Å; L259-Q262 PolarHBondContact O-N 2.82Å; L259-L263 HydrophobicContact CD1-CD1 4.05Å; L259-L263 HydrophobicContact CD1-CG 4.13Å; L259-L263 HydrophobicContact CG-CD1 3.99Å; L259-L263 HydrophobicContact CG-CG 4.47Å; L259-L263 WeakPolarHBondContact O-CB 3.48Å; L259-L263 VanDerWaalsContact O-CG 3.25Å; L259-L263 WeakPolarHBondContact O-CG 3.16Å; L259-L263 PolarHBondContact O-N 3.15Å |
| 260 | A | 75.8 | Confident | 78.1 | Confident | 21 Ų | 21 | 90.7 Ų | 90.7 | 17% | 0.174 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -67.2 | -35.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N257 G258 M264 | N257-A260 HydrophobicContact CB-CB 4.22Å; N257-A260 WeakPolarHBondContact O-CA 3.47Å; N257-A260 WeakPolarHBondContact O-CB 3.33Å; N257-A260 PolarHBondContact O-N 3.31Å; G258-A260 VanDerWaalsContact C-N 3.33Å; G258-A260 PolarHBondContact O-N 3.03Å; A260-M264 WeakPolarHBondContact O-CB 3.42Å; A260-M264 WeakPolarHBondContact O-CG 3.42Å; A260-M264 PolarHBondContact O-N 2.75Å |
| 261 | L | 80.3 | Confident | 76.8 | Confident | 97 Ų | 97 | 89.2 Ų | 89.2 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 174.5 | -173.4 | 60.1 | 0 | 0 | 0 | 112 | N257 G258 L259 M264 A265 | N257-L261 PolarHBondContact O-N 2.77Å; G258-L261 WeakPolarHBondContact O-CA 3.27Å; G258-L261 WeakPolarHBondContact O-CB 3.46Å; G258-L261 PolarHBondContact O-N 2.69Å; L259-L261 VanDerWaalsContact C-N 3.31Å; L259-L261 PolarHBondContact O-N 3.17Å; L261-M264 HydrophobicContact CB-CE 4.25Å; L261-M264 HydrophobicContact CD1-CE 3.79Å; L261-M264 WeakPolarHBondContact O-CB 2.94Å; L261-M264 PolarHBondContact O-N 2.99Å; L261-A265 PolarHBondContact O-N 2.82Å |
| 262 | Q | 81.6 | Confident | 75.2 | Confident | 84 Ų | 84 | 84.6 Ų | 84.6 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 175.6 | -169.5 | 176.6 | -0.2 | 0 | 0 | 112.3 | W163 G258 L259 M264 A265 Q266 | W163-Q262 HydrophobicContact CH2-CG 4.27Å; W163-Q262 HydrophobicContact CZ2-CG 4.03Å; G258-Q262 PolarHBondContact O-N 3.48Å; L259-Q262 PolarHBondContact O-N 2.82Å; Q262-M264 VanDerWaalsContact C-N 3.33Å; Q262-M264 PolarHBondContact O-N 3.08Å; Q262-A265 PolarHBondContact O-N 2.91Å; Q262-Q266 WeakPolarHBondContact O-CG 3.46Å; Q262-Q266 PolarHBondContact O-N 2.81Å; Q262-Q266 VanDerWaalsContact O-N 3.13Å |
| 263 | L | 82.3 | Confident | 73.6 | Confident | 25 Ų | 25 | 86.7 Ų | 86.7 | 13% | 0.131 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -69.5 | -27.9 | 175.7 | -66.2 | 170.1 | 0 | 0 | 0 | 112.8 | W163 V167 L259 G267 L268 Y269 | W163-L263 HydrophobicContact CD2-CD2 4.31Å; W163-L263 HydrophobicContact CZ2-CD2 4.06Å; V167-L263 HydrophobicContact CG1-CD2 4.03Å; L259-L263 HydrophobicContact CD1-CD1 4.05Å; L259-L263 HydrophobicContact CD1-CG 4.13Å; L259-L263 HydrophobicContact CG-CD1 3.99Å; L259-L263 HydrophobicContact CG-CG 4.47Å; L259-L263 WeakPolarHBondContact O-CB 3.48Å; L259-L263 VanDerWaalsContact O-CG 3.25Å; L259-L263 WeakPolarHBondContact O-CG 3.16Å; L259-L263 PolarHBondContact O-N 3.15Å; L263-G267 PolarHBondContact O-N 2.76Å; L263-L268 HydrophobicContact CD2-CB 4.1Å; L263-L268 HydrophobicContact CD2-CD1 4.05Å; L263-L268 PolarHBondContact O-N 2.93Å; L263-Y269 PolarHBondContact O-N 3.18Å |
| 264 | M | 81.1 | Confident | 71.6 | Confident | 50 Ų | 50 | 87.4 Ų | 87.4 | 25% | 0.246 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -66.6 | -47.1 | 169.5 | -76.4 | -177.3 | -60.9 | 0 | 0 | 111.2 | A260 L261 Q262 Q266 G267 Y269 H271 | A260-M264 WeakPolarHBondContact O-CB 3.42Å; A260-M264 WeakPolarHBondContact O-CG 3.42Å; A260-M264 PolarHBondContact O-N 2.75Å; L261-M264 HydrophobicContact CB-CE 4.25Å; L261-M264 HydrophobicContact CD1-CE 3.79Å; L261-M264 WeakPolarHBondContact O-CB 2.94Å; L261-M264 PolarHBondContact O-N 2.99Å; Q262-M264 VanDerWaalsContact C-N 3.33Å; Q262-M264 PolarHBondContact O-N 3.08Å; M264-Q266 PolarHBondContact O-N 2.99Å; M264-G267 PolarHBondContact O-N 3.05Å; M264-Y269 HydrophobicContact CG-CD1 3.67Å; M264-Y269 HydrophobicContact CG-CG 4.46Å; M264-Y269 WeakPolarHBondContact CG-O 3.37Å; M264-Y269 HydrophobicContact SD-CD1 4.22Å; M264-H271 HydrophobicContact SD-CB 4.18Å; M264-H271 VanDerWaalsContact SD-CE1 3.57Å; M264-H271 PolarHBondContact SD-ND1 2.92Å |
| 265 | A | 79.3 | Confident | 70.4 | Confident | 89 Ų | 89 | 90.6 Ų | 90.6 | 74% | 0.736 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -28.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L261 Q262 | L261-A265 PolarHBondContact O-N 2.82Å; Q262-A265 PolarHBondContact O-N 2.91Å |
| 266 | Q | 83.3 | Confident | 69 | Low | 84 Ų | 84 | 87.3 Ų | 87.3 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 7.6 | 176.9 | -65.5 | 176.1 | -10 | 0 | 0 | 114 | Q262 M264 L268 | Q262-Q266 WeakPolarHBondContact O-CG 3.46Å; Q262-Q266 PolarHBondContact O-N 2.81Å; Q262-Q266 VanDerWaalsContact O-N 3.13Å; M264-Q266 PolarHBondContact O-N 2.99Å; Q266-L268 HydrophobicContact CB-CD1 4.42Å; Q266-L268 HydrophobicContact CB-CG 4.37Å; Q266-L268 PolarHBondContact O-N 3.35Å; Q266-L268 VanDerWaalsContact O-N 3.08Å |
| 267 | G | 81.6 | Confident | 67.6 | Low | 48 Ų | 48 | 88 Ų | 88 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | -5.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L263 M264 Y269 | L263-G267 PolarHBondContact O-N 2.76Å; M264-G267 PolarHBondContact O-N 3.05Å; G267-Y269 VanDerWaalsContact C-N 3.32Å; G267-Y269 PolarHBondContact O-N 2.9Å |
| 268 | L | 79.2 | Confident | 66 | Low | 27 Ų | 27 | 91.5 Ų | 91.5 | 14% | 0.141 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -76.8 | -12.6 | -176.8 | -62.7 | 176.6 | 0 | 0 | 0 | 114.2 | Y168 L263 Q266 | Y168-L268 HydrophobicContact CD1-CD2 4.42Å; Y168-L268 HydrophobicContact CE1-CD1 4.06Å; Y168-L268 HydrophobicContact CE1-CD2 4.33Å; L263-L268 HydrophobicContact CD2-CB 4.1Å; L263-L268 HydrophobicContact CD2-CD1 4.05Å; L263-L268 PolarHBondContact O-N 2.93Å; Q266-L268 HydrophobicContact CB-CD1 4.42Å; Q266-L268 HydrophobicContact CB-CG 4.37Å; Q266-L268 PolarHBondContact O-N 3.35Å; Q266-L268 VanDerWaalsContact O-N 3.08Å |
| 269 | Y | 75.7 | Confident | 64.2 | Low | 111 Ų | 111 | 98 Ų | 98 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | trans | -128.7 | 96.8 | 177.5 | -171.6 | -100.6 | 0 | 0 | 0 | 112 | L263 M264 G267 H271 | L263-Y269 PolarHBondContact O-N 3.18Å; M264-Y269 HydrophobicContact CG-CD1 3.67Å; M264-Y269 HydrophobicContact CG-CG 4.46Å; M264-Y269 WeakPolarHBondContact CG-O 3.37Å; M264-Y269 HydrophobicContact SD-CD1 4.22Å; G267-Y269 VanDerWaalsContact C-N 3.32Å; G267-Y269 PolarHBondContact O-N 2.9Å; Y269-H271 HydrophobicContact CD1-CB 4.28Å; Y269-H271 HydrophobicContact CE1-CB 3.96Å; Y269-H271 PolarHBondContact O-N 3.01Å | ||
| 270 | N | 63.4 | Low | 62.3 | Low | 106 Ų | 106 | 102.5 Ų | 102.5 | 57% | 0.567 | 55% | 0.554 | S | S | * | * | trans | -87.7 | 106.9 | 176.7 | -147.8 | -54.1 | 0 | 0 | 0 | 110.9 | S272 | N270-S272 VanDerWaalsContact C-N 3.34Å; N270-S272 VanDerWaalsContact OD1-CB 3.31Å; N270-S272 WeakPolarHBondContact OD1-CB 3.05Å; N270-S272 PolarHBondContact OD1-N 3.01Å | ||
| 271 | H | 62.6 | Low | 60.8 | Low | 126 Ų | 126 | 109.8 Ų | 109.8 | 58% | 0.583 | 58% | 0.584 | S | S | * | * | trans | -90.4 | 4.3 | 179.7 | 69.5 | -78.9 | 0 | 0 | 0 | 113.3 | M264 Y269 T273 | M264-H271 HydrophobicContact SD-CB 4.18Å; M264-H271 VanDerWaalsContact SD-CE1 3.57Å; M264-H271 PolarHBondContact SD-ND1 2.92Å; Y269-H271 HydrophobicContact CD1-CB 4.28Å; Y269-H271 HydrophobicContact CE1-CB 3.96Å; Y269-H271 PolarHBondContact O-N 3.01Å; H271-T273 VanDerWaalsContact C-N 3.27Å; H271-T273 PolarHBondContact O-N 3.05Å | ||
| 272 | S | 51.2 | Low | 59.1 | Low | 82 Ų | 82 | 114.3 Ų | 114.3 | 57% | 0.573 | 60% | 0.603 | S | S | * | * | trans | -70.2 | 84.2 | 178.4 | -166.7 | 0 | 0 | 0 | 0 | 111.5 | N270 | N270-S272 VanDerWaalsContact C-N 3.34Å; N270-S272 VanDerWaalsContact OD1-CB 3.31Å; N270-S272 WeakPolarHBondContact OD1-CB 3.05Å; N270-S272 PolarHBondContact OD1-N 3.01Å | ||
| 273 | T | 48.3 | Very low | 57.5 | Low | 127 Ų | 127 | 115.4 Ų | 115.4 | 78% | 0.779 | 62% | 0.62 | S | S | * | * | trans | -123.6 | 41.3 | 150.8 | 66.9 | 0 | 0 | 0 | 0 | 109.2 | H271 T275 | H271-T273 VanDerWaalsContact C-N 3.27Å; H271-T273 PolarHBondContact O-N 3.05Å; T273-T275 PolarHBondContact O-N 3.39Å | ||
| 274 | T | 39.8 | Very low | 55.3 | Low | 112 Ų | 112 | 127.1 Ų | 127.1 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | trans | -64.2 | 110.3 | 153 | -56.3 | 0 | 0 | 0 | 0 | 105.1 | V276 | T274-V276 PolarHBondContact O-N 3.4Å; T274-V276 VanDerWaalsContact O-N 3.13Å | ||
| 275 | T | 41.1 | Very low | 54.1 | Low | 117 Ų | 117 | 131 Ų | 131 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | -57.6 | 117.1 | 158.4 | 42.8 | 0 | 0 | 0 | 0 | 105.4 | T273 Q277 | T273-T275 PolarHBondContact O-N 3.39Å; T275-Q277 VanDerWaalsContact C-N 3.32Å; T275-Q277 PolarHBondContact O-N 3.35Å | ||
| 276 | V | 38.1 | Very low | 52.7 | Low | 126 Ų | 126 | 133.2 Ų | 133.2 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -52.4 | 107.2 | 165.3 | 177.4 | 0 | 0 | 0 | 0 | 105 | T274 E278 | T274-V276 PolarHBondContact O-N 3.4Å; T274-V276 VanDerWaalsContact O-N 3.13Å; V276-E278 PolarHBondContact O-N 3.34Å | ||
| 277 | Q | 40.5 | Very low | 51 | Low | 167 Ų | 167 | 135.9 Ų | 135.9 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | trans | -67.1 | 117.6 | 158.1 | -77.5 | -179.7 | -95.7 | 0 | 0 | 103.1 | T275 E279 | T275-Q277 VanDerWaalsContact C-N 3.32Å; T275-Q277 PolarHBondContact O-N 3.35Å; Q277-E279 VanDerWaalsContact C-N 3.26Å; Q277-E279 PolarHBondContact O-N 3.23Å | ||
| 278 | E | 42.8 | Very low | 49.2 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | trans | -60.2 | 101 | 167.1 | -68.6 | 167.5 | 164.3 | 0 | 0 | 105.2 | V276 K280 | V276-E278 PolarHBondContact O-N 3.34Å; E278-K280 PolarHBondContact O-N 3.25Å | ||
| 279 | E | 40.9 | Very low | 47.4 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -67.2 | 78.7 | 164.5 | -71.1 | 178.7 | -177.2 | 0 | 0 | 105.8 | Q277 E281 | Q277-E279 VanDerWaalsContact C-N 3.26Å; Q277-E279 PolarHBondContact O-N 3.23Å; E279-E281 PolarHBondContact O-N 3.31Å | ||
| 280 | K | 40.7 | Very low | 45.5 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -66.8 | 125.5 | 176.1 | 179.6 | -179.8 | 175.5 | -175.1 | 0 | 107.2 | E278 E282 | E278-K280 PolarHBondContact O-N 3.25Å; K280-E282 PolarHBondContact O-N 2.85Å | ||
| 281 | E | 44.3 | Very low | 44.2 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -37.3 | 117.3 | 173.7 | -62.3 | 158.8 | 124.9 | 0 | 0 | 111.8 | E279 | E279-E281 PolarHBondContact O-N 3.31Š| ||
| 282 | E | 43.7 | Very low | 42.8 | Very low | 191 Ų | 191 | 156.1 Ų | 156.1 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -104.8 | 99.1 | 155.9 | -172.1 | 155.7 | -138.2 | 0 | 0 | 105.8 | K280 | K280-E282 PolarHBondContact O-N 2.85Š| ||
| 283 | S | 47.3 | Very low | 42.1 | Very low | 108 Ų | 108 | 162.3 Ų | 162.3 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | trans | -77.3 | 131.5 | 172.4 | -51.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 284 | E | 37.5 | Very low | 41.5 | Very low | 271 Ų | 271 | 165.5 Ų | 165.5 | 100% | 1.266 | 84% | 0.837 | S | S | * | * | trans | -141.5 | 0 | 152.2 | -145.3 | 173 | 101.7 | 0 | 0 | 109 |
Retrieved 284 of 284 residues in 45.1 ms
(Link to these results)