| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.7 | Very low | 44.9 | Very low | 234 Ų | 234 | 174.8 Ų | 174.8 | 100% | 1.153 | 86% | 0.864 | S | S | * | * | 0 | 148.5 | 0 | -76.7 | -62.1 | 179.1 | 0 | 0 | 108 | |||||
| 2 | P | 58.1 | Low | 44.5 | Very low | 106 Ų | 106 | 180.6 Ų | 180.6 | 69% | 0.688 | 87% | 0.869 | S | S | * | * | cis | -121.6 | 171.1 | 18.2 | 39.8 | -27 | 0 | 0 | 0 | 116.2 | ||||
| 3 | R | 43.7 | Very low | 44.2 | Very low | 235 Ų | 235 | 176.5 Ų | 176.5 | 89% | 0.887 | 86% | 0.863 | S | S | * | * | trans | 25.6 | 120.2 | 140.9 | -54.5 | 165.8 | -171.9 | -179.7 | 0.9 | 117.5 | ||||
| 4 | G | 42.4 | Very low | 43.7 | Very low | 70 Ų | 70 | 169.1 Ų | 169.1 | 72% | 0.722 | 85% | 0.854 | S | S | * | * | cis | 106.7 | 118.5 | 4.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 5 | F | 41.5 | Very low | 42.9 | Very low | 213 Ų | 213 | 166.2 Ų | 166.2 | 93% | 0.934 | 85% | 0.854 | S | S | * | * | trans | -145.7 | 141.4 | 167.6 | -107.9 | -80.7 | 0 | 0 | 0 | 111.1 | ||||
| 6 | L | 44.3 | Very low | 42.5 | Very low | 167 Ų | 167 | 162.4 Ų | 162.4 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | trans | -78.2 | 132.4 | -172.7 | -100 | 68 | 0 | 0 | 0 | 113.4 | K8 | L6-K8 PolarHBondContact O-N 3.06Š| ||
| 7 | V | 48.8 | Very low | 42.2 | Very low | 139 Ų | 139 | 164.5 Ų | 164.5 | 84% | 0.842 | 84% | 0.842 | S | S | * | * | trans | -71.9 | 114 | 161.8 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | R9 | V7-R9 VanDerWaalsContact C-N 3.28Å; V7-R9 PolarHBondContact O-N 3.16Å | ||
| 8 | K | 42.7 | Very low | 41.9 | Very low | 199 Ų | 199 | 168.2 Ų | 168.2 | 87% | 0.865 | 84% | 0.844 | S | S | * | * | trans | -74.7 | 72.1 | -175 | -166 | 172.1 | -176.8 | 174.3 | 0 | 112.4 | L6 T10 | L6-K8 PolarHBondContact O-N 3.06Å; K8-T10 PolarHBondContact O-N 3.22Å | ||
| 9 | R | 40.2 | Very low | 41.7 | Very low | 235 Ų | 235 | 165.4 Ų | 165.4 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | trans | -57.6 | 118.8 | 175.2 | -136.2 | 175 | -171.2 | 161.1 | 2 | 109.6 | V7 K11 | V7-R9 VanDerWaalsContact C-N 3.28Å; V7-R9 PolarHBondContact O-N 3.16Å; R9-K11 PolarHBondContact O-N 3.41Å | ||
| 10 | T | 43.1 | Very low | 41.4 | Very low | 136 Ų | 136 | 169 Ų | 169 | 83% | 0.834 | 84% | 0.839 | S | S | * | * | trans | -72.7 | 96.5 | -175.7 | 35.3 | 0 | 0 | 0 | 0 | 111.4 | K8 R12 | K8-T10 PolarHBondContact O-N 3.22Å; T10-R12 PolarHBondContact O-N 3.29Å | ||
| 11 | K | 41 | Very low | 41.2 | Very low | 189 Ų | 189 | 167.7 Ų | 167.7 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | trans | -58.5 | 98.7 | 175.9 | -177.1 | 180 | -178.7 | 179.3 | 0 | 110.7 | R9 T13 | R9-K11 PolarHBondContact O-N 3.41Å; K11-T13 PolarHBondContact O-N 3.06Å | ||
| 12 | R | 40.9 | Very low | 40.6 | Very low | 244 Ų | 244 | 161 Ų | 161 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 123.6 | 159.6 | -81.3 | -171.5 | 173.9 | -173.4 | -1.4 | 108 | T10 G14 | T10-R12 PolarHBondContact O-N 3.29Å; R12-G14 PolarHBondContact O-N 3.35Å |
| 13 | T | 39.7 | Very low | 39.6 | Very low | 128 Ų | 128 | 163.3 Ų | 163.3 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 118.1 | 178.3 | -36 | 0 | 0 | 0 | 0 | 109.3 | K11 C15 | K11-T13 PolarHBondContact O-N 3.06Å; T13-C15 PolarHBondContact O-N 3.42Å |
| 14 | G | 38.1 | Very low | 39.1 | Very low | 72 Ų | 72 | 161.4 Ų | 161.4 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70 | 116.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R12 S16 | R12-G14 PolarHBondContact O-N 3.35Å; G14-S16 PolarHBondContact O-N 2.85Å |
| 15 | C | 32 | Very low | 38.6 | Very low | 126 Ų | 126 | 163.3 Ų | 163.3 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -79.5 | 101.8 | 174 | -161.5 | 0 | 0 | 0 | 0 | 108.9 | T13 Y17 | T13-C15 PolarHBondContact O-N 3.42Å; C15-Y17 PolarHBondContact O-N 3.22Å | ||
| 16 | S | 35.8 | Very low | 38.2 | Very low | 105 Ų | 105 | 161.4 Ų | 161.4 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -74.1 | 102.2 | 176.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | G14 R18 | G14-S16 PolarHBondContact O-N 2.85Å; S16-R18 PolarHBondContact O-N 3.22Å | ||
| 17 | Y | 37.6 | Very low | 38.2 | Very low | 198 Ų | 198 | 159.2 Ų | 159.2 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -74.9 | 115.8 | 165.9 | 67.9 | -86.4 | 0 | 0 | 0 | 108.4 | C15 V19 | C15-Y17 PolarHBondContact O-N 3.22Å; Y17-V19 HydrophobicContact CD2-CG2 3.92Å; Y17-V19 HydrophobicContact CE2-CG2 3.81Å | ||
| 18 | R | 36.2 | Very low | 37.7 | Very low | 232 Ų | 232 | 159.8 Ų | 159.8 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | -82.7 | 114.3 | 162.8 | -82.2 | -166.2 | 173 | -145.4 | 0.3 | 108.1 | S16 R20 | S16-R18 PolarHBondContact O-N 3.22Å; R18-R20 PolarHBondContact O-N 2.71Å | ||
| 19 | V | 39.2 | Very low | 37.3 | Very low | 114 Ų | 114 | 159 Ų | 159 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | -61 | 121.9 | 163.5 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | Y17 | Y17-V19 HydrophobicContact CD2-CG2 3.92Å; Y17-V19 HydrophobicContact CE2-CG2 3.81Å | ||
| 20 | R | 34.5 | Very low | 37 | Very low | 237 Ų | 237 | 150.9 Ų | 150.9 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | trans | -89.7 | 109.4 | 159.8 | -80.4 | -174.2 | 171.2 | 178.1 | -3.1 | 107 | R18 A22 | R18-R20 PolarHBondContact O-N 2.71Å; R20-A22 PolarHBondContact O-N 3.38Å | ||
| 21 | L | 37.2 | Very low | 37.4 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -64.6 | 124.4 | 160.8 | -163.4 | 77.5 | 0 | 0 | 0 | 106.7 | E23 | L21-E23 HydrophobicContact CD2-CG 3.93Å; L21-E23 HydrophobicContact CG-CG 4.34Å | ||
| 22 | A | 35.9 | Very low | 36.9 | Very low | 93 Ų | 93 | 151 Ų | 151 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -112.7 | 94.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | R20 | R20-A22 PolarHBondContact O-N 3.38Š| ||
| 23 | E | 36.7 | Very low | 36.4 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -67.2 | 130.9 | 170.6 | -62.2 | 175.5 | 123.3 | 0 | 0 | 108.4 | L21 | L21-E23 HydrophobicContact CD2-CG 3.93Å; L21-E23 HydrophobicContact CG-CG 4.34Å | ||
| 24 | H | 33.5 | Very low | 36.2 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -132.1 | 127 | 158 | -114.3 | -88.3 | 0 | 0 | 0 | 108 | ||||
| 25 | V | 32.8 | Very low | 36.4 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | -126.9 | 123.8 | -157.6 | 136.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 26 | F | 31.3 | Very low | 37.4 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | 71.5 | 163.2 | 161.8 | -80.2 | -122.4 | 0 | 0 | 0 | 117.1 | L28 | F26-L28 HydrophobicContact CE1-CD1 4.49Š| ||
| 27 | P | 45.1 | Very low | 37 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | cis | -114.9 | 167.2 | 4.5 | 34.4 | -18.7 | 0 | 0 | 0 | 116.3 | ||||
| 28 | L | 38 | Very low | 36.6 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -76.4 | 146.2 | 173.1 | -67.6 | 156.8 | 0 | 0 | 0 | 111.9 | F26 | F26-L28 HydrophobicContact CE1-CD1 4.49Š| ||
| 29 | L | 33.6 | Very low | 36.4 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | trans | -140.6 | 146.7 | 147.9 | -94.6 | 173.4 | 0 | 0 | 0 | 109.3 | ||||
| 30 | G | 35.2 | Very low | 35.8 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | -92.8 | 178.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 31 | P | 50.3 | Low | 35.7 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -90.7 | 141.6 | -168.8 | 34.9 | -35.3 | 0 | 0 | 0 | 115.3 | ||||
| 32 | Q | 31.7 | Very low | 36 | Very low | 197 Ų | 197 | 133.1 Ų | 133.1 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -149.8 | 145.5 | 161.8 | -65.9 | -78.6 | 19.7 | 0 | 0 | 105.1 | ||||
| 33 | G | 29.2 | Very low | 35.6 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | 173.4 | 143.5 | -6.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 34 | A | 35.3 | Very low | 35.1 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -80.2 | 146 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 35 | P | 44.2 | Very low | 35 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | -153.6 | -157.4 | 105.6 | 36.5 | -14.1 | 0 | 0 | 0 | 112.6 | |||||
| 36 | P | 51.1 | Low | 35 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | -125.8 | -161.7 | -66.7 | 39 | -23.5 | 0 | 0 | 0 | 113.3 | |||||
| 37 | F | 28 | Very low | 35.5 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -111.6 | -176.6 | 177.8 | -148.4 | -100.1 | 0 | 0 | 0 | 110.9 | ||||
| 38 | L | 30 | Very low | 34.7 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | 73.7 | 155 | 173.4 | -55.8 | 169.3 | 0 | 0 | 0 | 115.5 | ||||
| 39 | E | 30.5 | Very low | 34.3 | Very low | 162 Ų | 162 | 130.7 Ų | 130.7 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | cis | -167.9 | 175.3 | -31.4 | -123.2 | 163.1 | -149.3 | 0 | 0 | 106.8 | ||||
| 40 | E | 27.1 | Very low | 34.1 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | cis | -148.5 | -170.6 | 2.8 | -150.4 | -92.1 | 96.1 | 0 | 0 | 107.7 | ||||
| 41 | A | 32.9 | Very low | 33.9 | Very low | 65 Ų | 65 | 136 Ų | 136 | 54% | 0.537 | 77% | 0.774 | S | S | . | * | trans | -81.3 | -177.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 42 | P | 43.6 | Very low | 32.8 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | -157.7 | 151 | 72.9 | 39.2 | -16.6 | 0 | 0 | 0 | 120.1 | |||||
| 43 | R | 28.2 | Very low | 32.7 | Very low | 244 Ų | 244 | 129.3 Ų | 129.3 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | 74.5 | 163.5 | 139 | -72.6 | 174.6 | 177.4 | -146.9 | -2.2 | 123.7 | ||||
| 44 | A | 26.3 | Very low | 34 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | 77 | 132.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 45 | S | 29.6 | Very low | 34.7 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | cis | -157.6 | 160.2 | -7.5 | -89 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 46 | L | 34.5 | Very low | 34 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -91.5 | 163.2 | 163.6 | -69.6 | 175.1 | 0 | 0 | 0 | 109.6 | ||||
| 47 | P | 41.2 | Very low | 33.1 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | cis | -139.8 | -173.1 | 46 | 36.1 | -13.3 | 0 | 0 | 0 | 115 | ||||
| 48 | G | 28.7 | Very low | 33 | Very low | 58 Ų | 58 | 135 Ų | 135 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | cis | 164.1 | -174.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 49 | T | 29.9 | Very low | 33.2 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | 63.5 | 147.8 | 168.6 | 33.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 50 | E | 28.5 | Very low | 34.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 62% | 0.621 | 76% | 0.759 | S | S | * | * | cis | -163.3 | 145.6 | -12.5 | -156.9 | -169.4 | 133.5 | 0 | 0 | 111.4 | ||||
| 51 | R | 30.2 | Very low | 34.3 | Very low | 225 Ų | 225 | 130.3 Ų | 130.3 | 85% | 0.849 | 76% | 0.759 | S | S | * | * | trans | 55.2 | 170.3 | 154.6 | -108 | 141.7 | 158.4 | -171.8 | -4.8 | 119.5 | ||||
| 52 | A | 27.4 | Very low | 34.3 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | cis | -140.5 | -175.2 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 53 | A | 31.1 | Very low | 33.5 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -120.6 | -177 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 54 | P | 56.5 | Low | 33.8 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -93.5 | -169.6 | -150.7 | 41.1 | -40.8 | 0 | 0 | 0 | 115.2 | ||||
| 55 | P | 48.4 | Very low | 33.9 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | -154.3 | 166.8 | 101.2 | 42.9 | -25.2 | 0 | 0 | 0 | 119.5 | |||||
| 56 | T | 29.4 | Very low | 34 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | 9.9 | 127.3 | 150.3 | 59.4 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 57 | R | 32.3 | Very low | 33.9 | Very low | 216 Ų | 216 | 135.6 Ų | 135.6 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | 63.3 | 155 | 100.4 | -143.6 | -177.8 | -163.4 | -122.6 | 14.3 | 122.5 | |||||
| 58 | E | 27.8 | Very low | 33.6 | Very low | 150 Ų | 150 | 133 Ų | 133 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 106.9 | 157 | 160.9 | -51.5 | -72.6 | 112.6 | 0 | 0 | 118 | ||||
| 59 | E | 34.1 | Very low | 33.7 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -132.2 | -171.4 | -171.8 | -93.3 | -88.7 | 153.8 | 0 | 0 | 108 | ||||
| 60 | P | 49.3 | Very low | 33.6 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -134.4 | 166.3 | -18.5 | 35.2 | -16.7 | 0 | 0 | 0 | 116.5 | ||||
| 61 | G | 30.8 | Very low | 33.7 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | 98.3 | 153.3 | 125 | 0 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 62 | K | 31.5 | Very low | 33.9 | Very low | 221 Ų | 221 | 137.3 Ų | 137.3 | 96% | 0.961 | 77% | 0.772 | S | S | * | * | trans | 87 | 142.1 | 155.6 | -63.6 | -173.7 | 178.5 | -179.7 | 0 | 122.7 | ||||
| 63 | G | 27.9 | Very low | 34.3 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | 120.8 | 144.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 64 | L | 34.1 | Very low | 34.1 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | 174.6 | 140.2 | -51.2 | -98.7 | 175 | 0 | 0 | 0 | 106.9 | |||||
| 65 | T | 29.1 | Very low | 33.1 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 65.7 | 157.2 | 153.8 | 45.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 66 | E | 31.4 | Very low | 33.2 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | cis | -159.3 | 164.3 | 14.1 | -138.8 | 172 | 168.8 | 0 | 0 | 114.8 | ||||
| 67 | E | 33 | Very low | 33.1 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | 51.7 | 156.9 | 150.5 | -83.6 | -77.6 | 76.3 | 0 | 0 | 122.6 | ||||
| 68 | A | 33.2 | Very low | 33 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | cis | -154 | 143.5 | -6.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 69 | A | 31.9 | Very low | 33 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | cis | 97.4 | 114.8 | 41.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 70 | R | 27.8 | Very low | 32.7 | Very low | 248 Ų | 248 | 133.2 Ų | 133.2 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | -179.4 | 87.1 | 151.6 | -110.2 | 177 | 156.4 | -176.9 | -7.3 | 118 | ||||
| 71 | E | 30.1 | Very low | 31.7 | Very low | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | 43.5 | 148.7 | 114.3 | -87.7 | -58.9 | 101.6 | 0 | 0 | 127.6 | |||||
| 72 | L | 35.6 | Very low | 31.6 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | 69.8 | 154.1 | 162.6 | -60.7 | 170.8 | 0 | 0 | 0 | 120.6 | ||||
| 73 | S | 34.5 | Very low | 31.7 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | cis | -176.3 | 156.1 | -31.5 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 74 | G | 27.5 | Very low | 32.8 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 121.9 | 150.5 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 75 | S | 35.2 | Very low | 32.5 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -146.1 | 164.4 | 165.6 | -50.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 76 | P | 50.1 | Low | 32.7 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -151.9 | -128.4 | 64.5 | 40.9 | -16.1 | 0 | 0 | 0 | 115.2 | |||||
| 77 | C | 28.3 | Very low | 32.5 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -122.9 | -175.3 | -147.9 | -44 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 78 | R | 30.5 | Very low | 32.4 | Very low | 249 Ų | 249 | 119.5 Ų | 119.5 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | trans | 83.3 | 158.8 | 173.6 | -70.4 | -173.5 | 162.4 | -157.2 | -2.6 | 117 | ||||
| 79 | A | 27.2 | Very low | 32.4 | Very low | 84 Ų | 84 | 125.8 Ų | 125.8 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | cis | -174.2 | 159.7 | -30.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 80 | A | 28.5 | Very low | 32.4 | Very low | 111 Ų | 111 | 129 Ų | 129 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | 65.3 | 156 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 81 | G | 27 | Very low | 32.6 | Very low | 65 Ų | 65 | 120.5 Ų | 120.5 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | cis | 172.7 | -167 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 82 | V | 28.6 | Very low | 32.7 | Very low | 149 Ų | 149 | 117.6 Ų | 117.6 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | trans | 80.4 | 133.5 | 169.5 | -177.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 83 | S | 34.6 | Very low | 32.5 | Very low | 110 Ų | 110 | 118.2 Ų | 118.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -103.7 | -144.8 | 178.8 | -42 | 0 | 0 | 0 | 0 | 109 | ||||
| 84 | P | 50.3 | Low | 32.3 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | cis | -135.5 | -177.6 | -15 | 41.9 | -24.4 | 0 | 0 | 0 | 115.6 | ||||
| 85 | G | 27.3 | Very low | 32.6 | Very low | 73 Ų | 73 | 132.6 Ų | 132.6 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 140.8 | 156.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 86 | A | 33 | Very low | 32.5 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | cis | -167.5 | 147 | -21.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 87 | G | 28.7 | Very low | 31.6 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | 77 | 157.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 88 | G | 30.2 | Very low | 31.7 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | cis | 146.5 | 149.2 | 3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 89 | R | 34.2 | Very low | 32 | Very low | 211 Ų | 211 | 125.9 Ų | 125.9 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | cis | -150 | 178.5 | 4.7 | -70.3 | 174.4 | 62.4 | 174.5 | -0.8 | 110.2 | ||||
| 90 | E | 31.7 | Very low | 32.3 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 71% | 0.71 | 81% | 0.812 | S | S | * | * | trans | -14.5 | 154.9 | 152 | -51.9 | 116.2 | -159.3 | 0 | 0 | 118.1 | ||||
| 91 | G | 30.4 | Very low | 32.6 | Very low | 70 Ų | 70 | 127.6 Ų | 127.6 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | 169.2 | -164.4 | 6.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 92 | A | 33.3 | Very low | 33.8 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | 66.8 | 126.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 93 | E | 31.6 | Very low | 34 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | cis | 83.6 | 109.5 | 33.3 | -166.3 | 178.9 | 141.6 | 0 | 0 | 115.3 | ||||
| 94 | W | 30.4 | Very low | 34.8 | Very low | 256 Ų | 256 | 127.9 Ų | 127.9 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | trans | -154.5 | 157.3 | 138.6 | -87.7 | 108.5 | 0 | 0 | 0 | 109.4 | ||||
| 95 | R | 33.4 | Very low | 33.9 | Very low | 230 Ų | 230 | 126.9 Ų | 126.9 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -131 | 118.4 | -164.7 | 176.7 | -160.3 | -71.8 | -112.9 | 0.5 | 114.2 | ||||
| 96 | A | 33.4 | Very low | 34.1 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -163.7 | 138.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 97 | G | 30 | Very low | 34.4 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | cis | 107.1 | 109.8 | 24.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 98 | G | 31.3 | Very low | 35.3 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | cis | 156.8 | 120.2 | -9.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 99 | R | 36 | Very low | 35.4 | Very low | 216 Ų | 216 | 137.3 Ų | 137.3 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | -159.7 | 107.9 | 162.1 | -122.3 | -175.1 | 179.7 | -64.3 | -12.9 | 113.3 | ||||
| 100 | E | 34 | Very low | 35.9 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | 26.1 | 123.2 | 137 | -54.8 | 177 | 125.8 | 0 | 0 | 119.9 | ||||
| 101 | G | 34.3 | Very low | 36.1 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -132.5 | 175.5 | 142 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 102 | P | 52.6 | Low | 36.8 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -124.3 | 150.6 | 149.4 | 35.8 | -26.8 | 0 | 0 | 0 | 112.3 | ||||
| 103 | G | 33.8 | Very low | 36.8 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -89.6 | -144.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 104 | P | 50.1 | Low | 37.8 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | cis | -137.6 | 170.8 | 22.8 | 42 | -25.2 | 0 | 0 | 0 | 117.4 | ||||
| 105 | S | 31.4 | Very low | 37.9 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 72.2 | 153.7 | 160.3 | 86.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 106 | R | 31.6 | Very low | 38.1 | Very low | 241 Ų | 241 | 123.5 Ų | 123.5 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | cis | -154.4 | 137.4 | 3.5 | -152 | 174.6 | 177.1 | -154.7 | 1.1 | 110.8 | ||||
| 107 | S | 38.9 | Very low | 38.6 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -141.1 | 152.5 | 174.8 | -63 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 108 | P | 47.6 | Very low | 38.9 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | -155.1 | 126.8 | 62.9 | 37.5 | -14.4 | 0 | 0 | 0 | 119.2 | |||||
| 109 | G | 33.7 | Very low | 39.6 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 49.5 | -162.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 110 | P | 44.9 | Very low | 40.2 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | cis | -110.9 | 179.3 | -20.2 | 40.4 | -29.6 | 0 | 0 | 0 | 112.5 | ||||
| 111 | S | 36 | Very low | 40.6 | Very low | 107 Ų | 107 | 117.9 Ų | 117.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 160 | 163.7 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 112 | P | 44.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -144.7 | 156.5 | 111.1 | 38.4 | -25.5 | 0 | 0 | 0 | 115.1 | |||||
| 113 | S | 34.4 | Very low | 40.9 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -95.4 | 145.6 | 166.3 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 114 | P | 50.8 | Low | 41.5 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -119.8 | 171 | 144.9 | 35.2 | -25.6 | 0 | 0 | 0 | 111.3 | ||||
| 115 | A | 32.5 | Very low | 41.4 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -132.7 | 143.5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 116 | K | 38.3 | Very low | 42.1 | Very low | 201 Ų | 201 | 128.5 Ų | 128.5 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | 67.9 | 166.2 | 165.3 | -61 | 173.4 | -179.5 | 174 | 0 | 116.2 | ||||
| 117 | P | 44.9 | Very low | 43 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | cis | -125 | 153.9 | -27.3 | 32.3 | -16.6 | 0 | 0 | 0 | 113.4 | ||||
| 118 | A | 34.3 | Very low | 43.4 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | -139 | 83 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 119 | G | 46.2 | Very low | 43.3 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | trans | -118.7 | 38.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 120 | A | 48.6 | Very low | 43.9 | Very low | 63 Ų | 63 | 128.7 Ų | 128.7 | 52% | 0.521 | 73% | 0.734 | S | S | . | * | S | Bend | trans | -137.1 | -47.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L122 R123 | A120-L122 PolarHBondContact O-N 3.49Å; A120-R123 PolarHBondContact O-N 3.18Å |
| 121 | E | 43.2 | Very low | 43.7 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -38.9 | -166.8 | -70.8 | -62.4 | 95 | 0 | 0 | 115.2 | R123 R124 A125 | E121-R123 PolarHBondContact O-N 3.27Å; E121-R124 PolarHBondContact O-N 3.28Å; E121-R124 IonicContact OE1-NH1 3.76Å; E121-R124 PolarHBondContact OE1-NH1 3.14Å; E121-A125 PolarHBondContact O-N 3.46Å |
| 122 | L | 45.6 | Very low | 43.8 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 82% | 0.817 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -61.8 | -16.9 | -175.5 | -159.5 | 69.1 | 0 | 0 | 0 | 113.7 | A120 | A120-L122 PolarHBondContact O-N 3.49Å |
| 123 | R | 47.6 | Very low | 43.3 | Very low | 211 Ų | 211 | 128.7 Ų | 128.7 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -85.9 | -19.7 | 174.1 | -76.2 | -175.3 | 171.8 | 168.7 | -0.9 | 114.4 | A120 E121 L127 | A120-R123 PolarHBondContact O-N 3.18Å; E121-R123 PolarHBondContact O-N 3.27Å; R123-L127 WeakPolarHBondContact O-CG 3.46Å |
| 124 | R | 46.3 | Very low | 43.7 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -77.6 | -50.7 | 173.2 | -70.9 | -174.2 | 174 | 115.6 | -2.4 | 110.9 | E121 F126 L127 E128 | E121-R124 PolarHBondContact O-N 3.28Å; E121-R124 IonicContact OE1-NH1 3.76Å; E121-R124 PolarHBondContact OE1-NH1 3.14Å; R124-F126 PolarHBondContact O-N 3.04Å; R124-F126 VanDerWaalsContact O-N 3.14Å; R124-L127 PolarHBondContact O-N 2.97Å; R124-E128 PolarHBondContact O-N 2.92Å |
| 125 | A | 48.5 | Very low | 42.7 | Very low | 61 Ų | 61 | 129.5 Ų | 129.5 | 50% | 0.504 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -56.4 | -31.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | E121 | E121-A125 PolarHBondContact O-N 3.46Å |
| 126 | F | 47 | Very low | 42.7 | Very low | 144 Ų | 144 | 130 Ų | 130 | 63% | 0.632 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -71.7 | -38 | 174.7 | -173.6 | -96.8 | 0 | 0 | 0 | 113.2 | R124 C130 | R124-F126 PolarHBondContact O-N 3.04Å; R124-F126 VanDerWaalsContact O-N 3.14Å; F126-C130 PolarHBondContact O-SG 2.77Å; F126-C130 VanDerWaalsContact O-SG 3.35Å |
| 127 | L | 50.2 | Low | 42.5 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 60% | 0.597 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -78.2 | -37 | -177.9 | -72 | 170.8 | 0 | 0 | 0 | 112.6 | R123 R124 R129 C130 | R123-L127 WeakPolarHBondContact O-CG 3.46Å; R124-L127 PolarHBondContact O-N 2.97Å; L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 2.97Å; L127-C130 WeakPolarHBondContact O-CB 3.35Å; L127-C130 PolarHBondContact O-N 3.3Å |
| 128 | E | 47.1 | Very low | 41.8 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 71% | 0.71 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -63.8 | -36 | 178.1 | -168.8 | 171.1 | -162.6 | 0 | 0 | 112.1 | R124 C130 L131 S132 | R124-E128 PolarHBondContact O-N 2.92Å; E128-C130 PolarHBondContact O-N 3.3Å; E128-L131 PolarHBondContact O-N 2.94Å; E128-S132 PolarHBondContact O-OG 3.29Å; E128-S132 VanDerWaalsContact O-OG 3.06Å |
| 129 | R | 45.9 | Very low | 41.8 | Very low | 209 Ų | 209 | 128 Ų | 128 | 79% | 0.789 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -1 | 174.2 | -161 | 164 | -177 | 81.2 | 1.6 | 114.2 | L127 | L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 2.97Å |
| 130 | C | 45.5 | Very low | 41 | Very low | 84 Ų | 84 | 133.2 Ų | 133.2 | 57% | 0.568 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -2.8 | 173.4 | -70.7 | 0 | 0 | 0 | 0 | 114.2 | F126 L127 E128 | F126-C130 PolarHBondContact O-SG 2.77Å; F126-C130 VanDerWaalsContact O-SG 3.35Å; L127-C130 WeakPolarHBondContact O-CB 3.35Å; L127-C130 PolarHBondContact O-N 3.3Å; E128-C130 PolarHBondContact O-N 3.3Å |
| 131 | L | 40.9 | Very low | 41.2 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -117.8 | 9.1 | -179.5 | -64.9 | 177.6 | 0 | 0 | 0 | 113.8 | E128 | E128-L131 PolarHBondContact O-N 2.94Š|
| 132 | S | 38.4 | Very low | 40.6 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 51% | 0.51 | 74% | 0.741 | S | S | . | * | trans | -121.4 | 85.6 | -175.4 | 36.5 | 0 | 0 | 0 | 0 | 112 | E128 | E128-S132 PolarHBondContact O-OG 3.29Å; E128-S132 VanDerWaalsContact O-OG 3.06Å | ||
| 133 | S | 33.2 | Very low | 39.8 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -145.8 | 93.2 | 169.8 | -74.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 134 | P | 43.3 | Very low | 39.2 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | -76 | 131.9 | 158.6 | 32.1 | -30.2 | 0 | 0 | 0 | 109.2 | ||||
| 135 | V | 29.7 | Very low | 38.5 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -120 | 80.7 | 165.9 | 57.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 136 | S | 32.5 | Very low | 37.9 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 131.7 | 164.6 | -60.6 | 0 | 0 | 0 | 0 | 108.6 | ||
| 137 | A | 33.6 | Very low | 37.2 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 117.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 138 | E | 30.7 | Very low | 36.6 | Very low | 176 Ų | 176 | 123.1 Ų | 123.1 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96 | 117.8 | 177.9 | -61.1 | -170.5 | 120.1 | 0 | 0 | 110.2 | ||
| 139 | S | 34 | Very low | 36.1 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 137 | -179.9 | -63 | 0 | 0 | 0 | 0 | 111.8 | ||
| 140 | F | 30.1 | Very low | 35.4 | Very low | 196 Ų | 196 | 120.4 Ų | 120.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 154.2 | 168.1 | -81.7 | -87.5 | 0 | 0 | 0 | 111.9 | ||
| 141 | P | 51.8 | Low | 35.1 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 160.4 | -156 | 37.7 | -37.2 | 0 | 0 | 0 | 115.5 | ||
| 142 | G | 30 | Very low | 34.7 | Very low | 82 Ų | 82 | 118.5 Ų | 118.5 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 170 | 133.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 143 | G | 30.3 | Very low | 34.6 | Very low | 85 Ų | 85 | 120 Ų | 120 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | 97.1 | 98.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 144 | A | 34.1 | Very low | 34.5 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -67.5 | 156.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 145 | A | 32.7 | Very low | 34.1 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | -179.4 | 157.4 | 114.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 146 | A | 34.2 | Very low | 35.5 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 45.8 | 98.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 147 | V | 34 | Very low | 35.3 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | 62.4 | 99.4 | 80.4 | -56.9 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 148 | A | 35.9 | Very low | 35.3 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -161.6 | 139.2 | 135 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 149 | A | 37.4 | Very low | 35.5 | Very low | 95 Ų | 95 | 115 Ų | 115 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -128.4 | 140.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 150 | F | 30.9 | Very low | 36.2 | Very low | 208 Ų | 208 | 115.6 Ų | 115.6 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | -152 | 121.2 | 153.1 | -138.3 | -95.1 | 0 | 0 | 0 | 112.1 | ||||
| 151 | S | 38.4 | Very low | 36.5 | Very low | 99 Ų | 99 | 112.8 Ų | 112.8 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | trans | -109.1 | 165.5 | 164 | -59.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 152 | C | 33.2 | Very low | 35.8 | Very low | 109 Ų | 109 | 113.1 Ų | 113.1 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | cis | -162.3 | 169 | 16 | -144.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 153 | S | 37.4 | Very low | 35.9 | Very low | 105 Ų | 105 | 111.9 Ų | 111.9 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 48.4 | 136.4 | 144.7 | -57 | 0 | 0 | 0 | 0 | 123 | ||||
| 154 | V | 31.2 | Very low | 36.3 | Very low | 147 Ų | 147 | 115.6 Ų | 115.6 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | -174.3 | 153.9 | 116.9 | 141.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 155 | A | 34.7 | Very low | 36.5 | Very low | 87 Ų | 87 | 118.5 Ų | 118.5 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | -158.3 | -175.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 156 | P | 59.1 | Low | 36.5 | Very low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | -127 | 169.7 | -54.9 | 37.4 | -24.2 | 0 | 0 | 0 | 113.4 | |||||
| 157 | A | 28 | Very low | 36.4 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -157 | 126.1 | 162 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 158 | A | 32.8 | Very low | 36.7 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | 94.3 | 135.6 | 60.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 159 | A | 35.8 | Very low | 37 | Very low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -98 | 176 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 160 | P | 47.6 | Very low | 36.8 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | -132.9 | 176.7 | 125.4 | 38.8 | -30.8 | 0 | 0 | 0 | 114.1 | |||||
| 161 | T | 37 | Very low | 36.7 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -119.8 | 136.8 | -165 | 52 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 162 | S | 36.8 | Very low | 36.4 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -172.4 | 150.2 | 154 | -166 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 163 | G | 33.2 | Very low | 36.9 | Very low | 56 Ų | 56 | 133.7 Ų | 133.7 | 58% | 0.577 | 81% | 0.807 | S | S | * | * | cis | 155.2 | 150.5 | 0.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 164 | E | 37.2 | Very low | 36.5 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | 68.9 | 102.5 | 178.8 | -47.6 | -93.9 | 62.3 | 0 | 0 | 114.3 | ||||
| 165 | Q | 38 | Very low | 37.1 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | 68.6 | 99.8 | 79.4 | -69 | -166 | 97.1 | 0 | 0 | 115.7 | |||||
| 166 | F | 33 | Very low | 37.1 | Very low | 212 Ų | 212 | 139.6 Ų | 139.6 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -154.4 | 163.5 | 139.7 | -116.8 | -77.3 | 0 | 0 | 0 | 111.7 | ||||
| 167 | L | 33.4 | Very low | 35.9 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -104.8 | 152 | -150.8 | -72.5 | 156.7 | 0 | 0 | 0 | 116.4 | ||||
| 168 | L | 39.1 | Very low | 35.8 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -75 | 136.9 | 160.3 | -68.3 | 169.7 | 0 | 0 | 0 | 111.1 | ||||
| 169 | P | 42 | Very low | 35.5 | Very low | 126 Ų | 126 | 142 Ų | 142 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -83.6 | 139.9 | 165 | -10.9 | 28.5 | 0 | 0 | 0 | 112.3 | ||||
| 170 | L | 33.8 | Very low | 35.3 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -142.9 | 114 | 175.7 | -160.1 | 93.8 | 0 | 0 | 0 | 112.8 | ||||
| 171 | R | 29.7 | Very low | 34.9 | Very low | 244 Ų | 244 | 144.7 Ų | 144.7 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -175.9 | 131 | 164.5 | -108.5 | 165.8 | 165.5 | 145.2 | -4 | 107.1 | ||||
| 172 | A | 31.7 | Very low | 34.3 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | 74 | 150.7 | 29.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 173 | P | 44.4 | Very low | 34.3 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | cis | -142.8 | 156.5 | -0 | 39 | -19.5 | 0 | 0 | 0 | 118.6 | ||||
| 174 | F | 28.8 | Very low | 34.1 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | 61.4 | 176.6 | 145.3 | -85.2 | -100.6 | 0 | 0 | 0 | 119.1 | ||||
| 175 | P | 43.5 | Very low | 34.8 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | cis | -128.2 | 175.6 | 10.2 | 43.7 | -27.6 | 0 | 0 | 0 | 119.3 | ||||
| 176 | E | 34.6 | Very low | 34.3 | Very low | 155 Ų | 155 | 146 Ų | 146 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | -112.7 | 147.1 | 177.3 | 173 | -170.7 | 162.1 | 0 | 0 | 110.1 | ||||
| 177 | P | 34 | Very low | 34 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -100.8 | 132.6 | 172.4 | 35.5 | -29.2 | 0 | 0 | 0 | 113.5 | ||||
| 178 | A | 25.3 | Very low | 33.8 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -93.6 | -179.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 179 | L | 26.6 | Very low | 33.3 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -103.3 | 173.8 | -172.3 | -73.7 | 165.1 | 0 | 0 | 0 | 114.4 | ||||
| 180 | Q | 31.4 | Very low | 32.6 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 81 | 159.1 | 166.5 | -56 | -61.1 | -11.8 | 0 | 0 | 116.6 | ||||
| 181 | P | 38.7 | Very low | 32.6 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | cis | -130.7 | 179.3 | 7 | 42.1 | -26 | 0 | 0 | 0 | 117.4 | ||||
| 182 | D | 26.2 | Very low | 32.4 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -68.2 | 162.3 | 165.9 | -92.2 | -53.3 | 0 | 0 | 0 | 114.1 | ||||
| 183 | P | 35 | Very low | 32.5 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -145.7 | 168.2 | 119.9 | 39.2 | -25.1 | 0 | 0 | 0 | 117 | |||||
| 184 | V | 29.6 | Very low | 31.8 | Very low | 134 Ų | 134 | 139 Ų | 139 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -144.1 | 174.3 | 175.6 | -112.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 185 | P | 52.8 | Low | 31.9 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | cis | -129.3 | -179.2 | -28.5 | 38.9 | -24.1 | 0 | 0 | 0 | 112.2 | ||||
| 186 | L | 26.1 | Very low | 31 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -174.6 | 174 | 142.4 | -107.1 | 165.8 | 0 | 0 | 0 | 113.8 | ||||
| 187 | S | 27.8 | Very low | 30.7 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -135.6 | 142.3 | -156.4 | -49.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 188 | T | 27.8 | Very low | 30.4 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -173.8 | 135.6 | 148.4 | 25.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 189 | A | 29 | Very low | 30.6 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | cis | 97.3 | 107.6 | 30.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 190 | L | 28.2 | Very low | 30.7 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | 170.5 | 154.1 | 129.3 | -95.3 | 166.7 | 0 | 0 | 0 | 115.5 | |||||
| 191 | Q | 33.1 | Very low | 30.8 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | 65 | 128 | 158.6 | -65.7 | 161 | 65.6 | 0 | 0 | 118.9 | ||||
| 192 | S | 26.4 | Very low | 30.3 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | cis | 100.6 | 95.9 | 10 | -55.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 193 | L | 33.2 | Very low | 30.3 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -168.5 | 123.8 | 150.1 | -130.2 | 73.7 | 0 | 0 | 0 | 107.2 | ||||
| 194 | K | 29.5 | Very low | 30 | Very low | 190 Ų | 190 | 143 Ų | 143 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | cis | 103.8 | 125 | 8.8 | -158.7 | 176.1 | -176.1 | 172.9 | 0 | 115.7 | ||||
| 195 | R | 30.5 | Very low | 30.2 | Very low | 238 Ų | 238 | 140.5 Ų | 140.5 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | 95.7 | 154.4 | 172.4 | -61.1 | -178.2 | 179.1 | 152.6 | -0.3 | 116.9 | ||||
| 196 | A | 25.2 | Very low | 29.8 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | -177.2 | 156.9 | -31.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 197 | A | 28 | Very low | 30.2 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | 62.1 | 159.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 198 | G | 28.1 | Very low | 30.3 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | cis | 141.9 | 147.7 | -0.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 199 | G | 29.2 | Very low | 30.4 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | cis | 176.5 | 170.7 | -6.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 200 | E | 28.8 | Very low | 30.4 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | 61.3 | 157.2 | 163.1 | -90.6 | -151.7 | 87.2 | 0 | 0 | 123.5 | ||||
| 201 | R | 33.5 | Very low | 30.5 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | trans | 72.7 | 95.3 | 153.5 | -81 | 178.4 | -81 | -90 | -0.2 | 122.7 | ||||
| 202 | R | 28.3 | Very low | 30.3 | Very low | 247 Ų | 247 | 131 Ų | 131 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | 55.1 | 117.5 | 102.3 | -170.3 | -169.8 | -143.6 | -127.5 | 6.9 | 120.1 | |||||
| 203 | G | 27.2 | Very low | 31.2 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | 143.4 | 131.7 | 116.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 204 | K | 28.6 | Very low | 31.2 | Very low | 222 Ų | 222 | 128.6 Ų | 128.6 | 97% | 0.965 | 80% | 0.801 | S | S | * | * | trans | 70.5 | 150.1 | 150.3 | -76.3 | -175.8 | 170.6 | -176.6 | 0 | 121.2 | ||||
| 205 | A | 32.4 | Very low | 31.5 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -106.6 | 173.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 206 | P | 44.9 | Very low | 31.6 | Very low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | -118.1 | 160.6 | 117.4 | -4.9 | 26.5 | 0 | 0 | 0 | 111.6 | |||||
| 207 | T | 33.7 | Very low | 32 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | cis | 67.5 | 129.2 | 47 | -38.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 208 | G | 30.8 | Very low | 32.6 | Very low | 68 Ų | 68 | 120.4 Ų | 120.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -171.9 | -158 | 0.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 209 | C | 29.9 | Very low | 33.2 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | cis | -173.6 | 173 | -17.7 | -100.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 210 | A | 29.5 | Very low | 33.9 | Very low | 100 Ų | 100 | 132 Ų | 132 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 69.4 | 155.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 211 | S | 30 | Very low | 35.5 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | cis | -164.7 | 163.5 | -26.2 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 212 | G | 28.9 | Very low | 35.5 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -80.8 | -151.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 213 | P | 45.7 | Very low | 35.7 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | cis | -136.7 | -151.3 | 19 | 43.2 | -22.8 | 0 | 0 | 0 | 115.8 | ||||
| 214 | A | 31.7 | Very low | 36.2 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -95.5 | -163.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 215 | A | 36.4 | Very low | 36.9 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | cis | -168.1 | -176.4 | 23 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 216 | T | 32.8 | Very low | 37.4 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 91% | 0.908 | 82% | 0.818 | S | S | * | * | trans | 76.1 | 152.6 | 165.8 | 75.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 217 | G | 34.2 | Very low | 37 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | cis | 170.1 | 144.7 | -13.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 218 | I | 40.9 | Very low | 37.5 | Very low | 159 Ų | 159 | 137 Ų | 137 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | trans | 60 | 120.1 | 153.9 | -25 | 177.7 | 0 | 0 | 0 | 121.7 | ||||
| 219 | K | 40.8 | Very low | 37.7 | Very low | 198 Ų | 198 | 143.7 Ų | 143.7 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | 167.8 | 163.6 | 121.3 | -88 | 162.8 | -170.4 | 176.5 | 0 | 113.9 | |||||
| 220 | K | 42.7 | Very low | 38.4 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -127.6 | -164.7 | -179.1 | -59.1 | -178.9 | 175.3 | 175.7 | 0 | 110.6 | ||||
| 221 | P | 62.1 | Low | 38.9 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | -129.1 | -166 | -97.9 | 41.8 | -22.9 | 0 | 0 | 0 | 114.5 | |||||
| 222 | K | 34 | Very low | 39.5 | Very low | 205 Ų | 205 | 146.7 Ų | 146.7 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | 101.5 | 126.3 | 167.5 | -61.5 | 173.8 | 175.1 | 177.4 | 0 | 116.9 | ||||
| 223 | A | 33.4 | Very low | 40.4 | Very low | 110 Ų | 110 | 149 Ų | 149 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -154.9 | 148 | 132.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 224 | M | 37.8 | Very low | 40.1 | Very low | 187 Ų | 187 | 149.3 Ų | 149.3 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -127.7 | 138.6 | -177.7 | 61.5 | -149.5 | -84.5 | 0 | 0 | 109.8 | ||||
| 225 | R | 42.8 | Very low | 40.9 | Very low | 233 Ų | 233 | 150.3 Ų | 150.3 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -151.3 | 100.9 | 163.7 | -164.7 | 167.6 | 178.1 | 116.1 | -3.3 | 110.2 | ||||
| 226 | K | 42.1 | Very low | 41.1 | Very low | 202 Ų | 202 | 151 Ų | 151 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | -73 | 146.7 | 159 | -66.3 | -175 | 176.9 | -173.6 | 0 | 107.8 | ||||
| 227 | L | 37.8 | Very low | 42.1 | Very low | 162 Ų | 162 | 150 Ų | 150 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -133.7 | 130.1 | 152.8 | -158 | 79.4 | 0 | 0 | 0 | 107.2 | ||||
| 228 | S | 43.8 | Very low | 42.9 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -114.3 | 130.2 | 177.7 | 49.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 229 | F | 34.7 | Very low | 43.5 | Very low | 209 Ų | 209 | 151.7 Ų | 151.7 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -149.9 | 151.5 | 148.7 | -140 | -100.9 | 0 | 0 | 0 | 109.2 | ||||
| 230 | A | 44.1 | Very low | 43.9 | Very low | 82 Ų | 82 | 145.9 Ų | 145.9 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | -79 | 150.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 231 | D | 40.1 | Very low | 44.1 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -137.8 | 143.3 | 157 | -167.3 | 8.7 | 0 | 0 | 0 | 107.4 | ||||
| 232 | E | 43.7 | Very low | 43 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 73% | 0.729 | 81% | 0.807 | S | S | * | * | trans | -109 | 145.3 | -156.6 | -69.4 | -164.6 | 108 | 0 | 0 | 114 | T234 | E232-T234 PolarHBondContact O-N 3.42Š| ||
| 233 | V | 46.9 | Very low | 43.4 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | trans | 39.6 | 67.3 | 154 | -165.8 | 0 | 0 | 0 | 0 | 116.5 | T235 | V233-T235 HydrophobicContact CG1-CG2 4.33Š| ||
| 234 | T | 40.3 | Very low | 44.6 | Very low | 143 Ų | 143 | 148 Ų | 148 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -106.3 | 55.7 | 154.7 | 38.3 | 0 | 0 | 0 | 0 | 111.2 | E232 S236 | E232-T234 PolarHBondContact O-N 3.42Å; T234-S236 PolarHBondContact O-N 3.44Å | ||
| 235 | T | 48.5 | Very low | 44.9 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -69.8 | 91.7 | -177.4 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | V233 P237 | V233-T235 HydrophobicContact CG1-CG2 4.33Å; T235-P237 WeakPolarHBondContact O-CD 3.49Å | ||
| 236 | S | 39.5 | Very low | 44.9 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | -63 | 117.3 | 168.3 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | T234 V238 | T234-S236 PolarHBondContact O-N 3.44Å; S236-V238 PolarHBondContact O-N 2.72Å | ||
| 237 | P | 53.8 | Low | 45.1 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 34.5 | -165.9 | 35.1 | -38.3 | 0 | 0 | 0 | 113.9 | T235 | T235-P237 WeakPolarHBondContact O-CD 3.49Š|
| 238 | V | 51.6 | Low | 45.7 | Very low | 115 Ų | 115 | 142 Ų | 142 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -17.6 | -167.2 | 179.4 | 0 | 0 | 0 | 0 | 114.1 | S236 | S236-V238 PolarHBondContact O-N 2.72Š|
| 239 | L | 53 | Low | 45.4 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -127.9 | -5.6 | -179.6 | -71.7 | 176.7 | 0 | 0 | 0 | 116 | L241 | L239-L241 PolarHBondContact O-N 3.19Š|
| 240 | G | 48.8 | Very low | 45.5 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | 64.6 | -1.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | K242 | G240-K242 VanDerWaalsContact C-N 3.27Å; G240-K242 PolarHBondContact O-N 3.37Å | ||
| 241 | L | 47.1 | Very low | 45.8 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | -74 | 73.2 | -179.7 | -68.4 | 172.5 | 0 | 0 | 0 | 111.8 | L239 I243 | L239-L241 PolarHBondContact O-N 3.19Å; L241-I243 PolarHBondContact O-N 2.75Å | ||
| 242 | K | 39.5 | Very low | 45.6 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -76.7 | 88.7 | 168.5 | -172.1 | 168.2 | -175.7 | 171.2 | 0 | 109.3 | G240 K244 | G240-K242 VanDerWaalsContact C-N 3.27Å; G240-K242 PolarHBondContact O-N 3.37Å; K242-K244 PolarHBondContact O-N 3.16Å | ||
| 243 | I | 42.8 | Very low | 45.8 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 127.3 | 166 | -57.6 | 172.7 | 0 | 0 | 0 | 107 | L241 | L241-I243 PolarHBondContact O-N 2.75Š|
| 244 | K | 57 | Low | 45.3 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 126.6 | 170.4 | 177.2 | 168.1 | 174.5 | -176.4 | 0 | 108.2 | K242 | K242-K244 PolarHBondContact O-N 3.16Š|
| 245 | E | 45.7 | Very low | 45.9 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.2 | 169.9 | -66.8 | 168.7 | 117.6 | 0 | 0 | 109.9 | ||
| 246 | E | 42.6 | Very low | 45.8 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -134.3 | 145.9 | 161.6 | -74.7 | -160.1 | 121.1 | 0 | 0 | 109.1 | ||||
| 247 | E | 45.3 | Very low | 45.9 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -72.9 | 143.3 | -171.6 | -82 | -75.4 | 103.5 | 0 | 0 | 113.2 | G249 | E247-G249 PolarHBondContact O-N 3.16Š| ||
| 248 | P | 51.3 | Low | 45.5 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -81.2 | 83.9 | -176.2 | 32.8 | -35.3 | 0 | 0 | 0 | 113.1 | ||||
| 249 | G | 37 | Very low | 45.3 | Very low | 69 Ų | 69 | 143.5 Ų | 143.5 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -110.8 | 107.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | E247 | E247-G249 PolarHBondContact O-N 3.16Š| ||
| 250 | A | 35.8 | Very low | 45.5 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | 66.3 | 148.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 251 | P | 51 | Low | 45.6 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -99.5 | 146.4 | 177.3 | 37.3 | -32.4 | 0 | 0 | 0 | 113.4 | ||||
| 252 | S | 35.5 | Very low | 45.9 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -137.8 | 137.3 | 162.9 | -99.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 253 | R | 47.8 | Very low | 47 | Very low | 263 Ų | 263 | 137.3 Ų | 137.3 | 99% | 0.992 | 81% | 0.809 | S | S | * | * | trans | -90.8 | 119.6 | 177.3 | -74.1 | 177.4 | 170.4 | 172.1 | -4 | 110 | ||||
| 254 | G | 38.2 | Very low | 48.4 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -134.9 | 120.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 255 | L | 51.8 | Low | 49.7 | Very low | 187 Ų | 187 | 129.9 Ų | 129.9 | 98% | 0.979 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -80.3 | 146.8 | 171.2 | -76.7 | 154.7 | 0 | 0 | 0 | 109.4 | ||
| 256 | G | 47.3 | Very low | 51.4 | Low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 98.5 | 18.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | S258 | G256-S258 PolarHBondContact O-N 3.34Š| ||
| 257 | G | 40 | Very low | 53.4 | Low | 77 Ų | 77 | 116.9 Ų | 116.9 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | trans | -62.8 | 103.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 258 | S | 47.2 | Very low | 55 | Low | 108 Ų | 108 | 116.8 Ų | 116.8 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | -58.7 | 146.3 | 165.5 | 54.8 | 0 | 0 | 0 | 0 | 109.2 | G256 T260 | G256-S258 PolarHBondContact O-N 3.34Å; S258-T260 PolarHBondContact O-N 3.03Å | ||
| 259 | R | 47.4 | Very low | 56.2 | Low | 245 Ų | 245 | 115.4 Ų | 115.4 | 93% | 0.925 | 70% | 0.7 | S | S | * | * | trans | -60.9 | 103.4 | -177.1 | -59.8 | 169 | 84.8 | -179.2 | 7.8 | 108.3 | ||||
| 260 | T | 55.6 | Low | 58.2 | Low | 127 Ų | 127 | 112.4 Ų | 112.4 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 122.6 | 167.5 | 34.4 | 0 | 0 | 0 | 0 | 107 | S258 L262 | S258-T260 PolarHBondContact O-N 3.03Å; T260-L262 PolarHBondContact O-N 3.42Å |
| 261 | P | 51.3 | Low | 60.4 | Low | 103 Ų | 103 | 115.3 Ų | 115.3 | 67% | 0.669 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128.8 | -179.5 | 24.4 | -32.1 | 0 | 0 | 0 | 108.2 | G263 | P261-G263 PolarHBondContact O-N 2.74Š|
| 262 | L | 54.7 | Low | 61.9 | Low | 150 Ų | 150 | 113.3 Ų | 113.3 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -52 | 127.5 | 168 | -70.9 | 165.6 | 0 | 0 | 0 | 107.2 | T260 E264 F265 | T260-L262 PolarHBondContact O-N 3.42Å; L262-E264 PolarHBondContact O-N 2.84Å; L262-F265 HydrophobicContact CB-CZ 4.42Å |
| 263 | G | 60.8 | Low | 64.4 | Low | 63 Ų | 63 | 113.2 Ų | 113.2 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -41.6 | 129.4 | -148.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P261 F265 | P261-G263 PolarHBondContact O-N 2.74Å; G263-F265 PolarHBondContact O-N 2.99Å |
| 264 | E | 73.6 | Confident | 66.2 | Low | 115 Ų | 115 | 103.1 Ų | 103.1 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | trans | -26 | 116.5 | 180 | -60.5 | 171.5 | -132.5 | 0 | 0 | 113.1 | L262 I266 Q273 | L262-E264 PolarHBondContact O-N 2.84Å; E264-I266 HydrophobicContact CB-CD1 3.94Å; E264-I266 HydrophobicContact CB-CG1 4.02Å; E264-I266 PolarHBondContact O-N 2.7Å; E264-Q273 HydrophobicContact CB-CG 4.32Å; E264-Q273 PolarHBondContact OE2-NE2 2.77Å | ||
| 265 | F | 82.8 | Confident | 68.4 | Low | 54 Ų | 54 | 104.1 Ų | 104.1 | 24% | 0.237 | 59% | 0.59 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 67.4 | -174 | -56.2 | -69.7 | 0 | 0 | 0 | 111.3 | L262 G263 Y274 P277 L280 | L262-F265 HydrophobicContact CB-CZ 4.42Å; G263-F265 PolarHBondContact O-N 2.99Å; F265-Y274 WeakPolarHBondContact CB-O 3.45Å; F265-Y274 WeakPolarHBondContact O-CB 3.05Å; F265-Y274 WeakPolarHBondContact O-CD2 3.37Å; F265-Y274 PolarHBondContact O-N 3.43Å; F265-P277 HydrophobicContact CD1-CB 3.81Å; F265-P277 HydrophobicContact CE1-CB 3.69Å; F265-P277 HydrophobicContact CE1-CG 4.17Å; F265-P277 HydrophobicContact CE2-CG 4.45Å; F265-P277 HydrophobicContact CG-CB 4.33Å; F265-P277 HydrophobicContact CZ-CB 4.11Å; F265-P277 HydrophobicContact CZ-CG 4.09Å; F265-L280 HydrophobicContact CB-CB 4.12Å; F265-L280 HydrophobicContact CB-CD2 3.89Å |
| 266 | I | 83.3 | Confident | 70.1 | Confident | 67 Ų | 67 | 99.8 Ų | 99.8 | 34% | 0.344 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.2 | 126 | -178.4 | -62.9 | 166.7 | 0 | 0 | 0 | 109.7 | E264 Q268 K271 E272 Q273 | E264-I266 HydrophobicContact CB-CD1 3.94Å; E264-I266 HydrophobicContact CB-CG1 4.02Å; E264-I266 PolarHBondContact O-N 2.7Å; I266-Q268 PolarHBondContact O-N 2.97Å; I266-K271 HydrophobicContact CG2-CB 4.44Å; I266-E272 WeakPolarHBondContact CA-O 3.43Å; I266-Q273 HydrophobicContact CG1-CB 3.96Å; I266-Q273 HydrophobicContact CG1-CG 3.92Å |
| 267 | C | 84 | Confident | 71.9 | Confident | 15 Ų | 15 | 99.5 Ų | 99.5 | 10% | 0.101 | 55% | 0.552 | C | S | . | * | trans | -71.1 | 114 | 167.4 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | L269 C270 K271 E272 Y274 L280 | C267-L269 PolarHBondContact O-N 3.1Å; C267-C270 WeakPolarHBondContact CB-SG 3.28Å; C267-K271 WeakPolarHBondContact O-CA 3.35Å; C267-K271 PolarHBondContact O-N 3Å; C267-E272 PolarHBondContact N-O 2.95Å; C267-Y274 HydrophobicContact CB-CE2 4.19Å; C267-L280 HydrophobicContact CB-CD1 3.52Å | ||
| 268 | Q | 77.8 | Confident | 74 | Confident | 177 Ų | 177 | 102.9 Ų | 102.9 | 83% | 0.827 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -15.5 | -175.2 | -62.8 | -179.5 | 0.1 | 0 | 0 | 114.5 | I266 | I266-Q268 PolarHBondContact O-N 2.97Š|
| 269 | L | 76.8 | Confident | 75.7 | Confident | 95 Ų | 95 | 99.5 Ų | 99.5 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -50.6 | -174.6 | -56.7 | 177 | 0 | 0 | 0 | 113.1 | C267 R287 I288 | C267-L269 PolarHBondContact O-N 3.1Å; L269-R287 WeakPolarHBondContact O-CD 3.43Å; L269-R287 PolarHBondContact O-NH1 3.45Å; L269-I288 HydrophobicContact CD1-CD1 3.88Å; L269-I288 HydrophobicContact CD1-CG1 3.41Å; L269-I288 VanDerWaalsContact CD1-CG1 3.41Å |
| 270 | C | 79.7 | Confident | 77.7 | Confident | 5 Ų | 5 | 90.2 Ų | 90.2 | 3% | 0.034 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -20.2 | 171.3 | 54.6 | 0 | 0 | 0 | 0 | 113 | C267 E272 H283 C285 R287 | C267-C270 WeakPolarHBondContact CB-SG 3.28Å; C270-E272 HydrophobicContact CB-CB 4.44Å; C270-E272 HydrophobicContact CB-CG 3.91Å; C270-E272 PolarHBondContact O-N 3.49Å; C270-E272 VanDerWaalsContact SG-CB 3.55Å; C270-E272 PolarHBondContact SG-N 3.13Å; C270-E272 PolarHBondContact SG-OE2 2.89Å; C270-H283 PolarHBondContact SG-NE2 2.89Å; C270-C285 VanDerWaalsContact CB-SG 3.51Å; C270-C285 PolarHBondContact N-SG 3.1Å; C270-C285 VanDerWaalsContact N-SG 3.39Å; C270-C285 VanDerWaalsContact SG-SG 3.7Å; C270-R287 VanDerWaalsContact CA-NH1 3.29Å; C270-R287 VanDerWaalsContact O-CZ 3.25Å; C270-R287 PolarHBondContact O-NH1 3.3Å; C270-R287 PolarHBondContact O-NH2 3.39Å; C270-R287 VanDerWaalsContact O-NH2 3.13Å |
| 271 | K | 81.3 | Confident | 79 | Confident | 163 Ų | 163 | 88 Ų | 88 | 71% | 0.709 | 49% | 0.487 | S | S | * | . | trans | 60.4 | 22 | -168.2 | -55.5 | -172.6 | 178.1 | -174.9 | 0 | 113.8 | I266 C267 | I266-K271 HydrophobicContact CG2-CB 4.44Å; C267-K271 WeakPolarHBondContact O-CA 3.35Å; C267-K271 PolarHBondContact O-N 3Å | ||
| 272 | E | 83 | Confident | 80.4 | Confident | 85 Ų | 85 | 89.3 Ų | 89.3 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | trans | -77.6 | 133.9 | 170.4 | -64.6 | 161.8 | 169.8 | 0 | 0 | 109.2 | I266 C267 C270 Y274 H283 | I266-E272 WeakPolarHBondContact CA-O 3.43Å; C267-E272 PolarHBondContact N-O 2.95Å; C270-E272 HydrophobicContact CB-CB 4.44Å; C270-E272 HydrophobicContact CB-CG 3.91Å; C270-E272 PolarHBondContact O-N 3.49Å; C270-E272 VanDerWaalsContact SG-CB 3.55Å; C270-E272 PolarHBondContact SG-N 3.13Å; C270-E272 PolarHBondContact SG-OE2 2.89Å; E272-Y274 HydrophobicContact CB-CE2 3.94Å; E272-Y274 WeakPolarHBondContact CB-OH 3.32Å; E272-Y274 WeakPolarHBondContact O-CE2 3.4Å; E272-Y274 PolarHBondContact OE2-OH 2.76Å; E272-H283 IonicContact OE2-CE1 3Å; E272-H283 PolarHBondContact OE2-CE1 3.04Å; E272-H283 IonicContact OE2-ND1 2.74Å; E272-H283 IonicContact OE2-NE2 3.84Å | ||
| 273 | Q | 87.8 | Confident | 81.8 | Confident | 127 Ų | 127 | 84.1 Ų | 84.1 | 59% | 0.593 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.1 | 179.9 | -170 | -167.1 | 67.4 | 0 | 0 | 109.5 | E264 I266 | E264-Q273 HydrophobicContact CB-CG 4.32Å; E264-Q273 PolarHBondContact OE2-NE2 2.77Å; I266-Q273 HydrophobicContact CG1-CB 3.96Å; I266-Q273 HydrophobicContact CG1-CG 3.92Å |
| 274 | Y | 85.3 | Confident | 82.3 | Confident | 52 Ų | 52 | 92.6 Ų | 92.6 | 20% | 0.204 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146.4 | 175.9 | -65.4 | -79 | 0 | 0 | 0 | 111.1 | F265 C267 E272 D276 A279 L280 H283 | F265-Y274 WeakPolarHBondContact CB-O 3.45Å; F265-Y274 WeakPolarHBondContact O-CB 3.05Å; F265-Y274 WeakPolarHBondContact O-CD2 3.37Å; F265-Y274 PolarHBondContact O-N 3.43Å; C267-Y274 HydrophobicContact CB-CE2 4.19Å; E272-Y274 HydrophobicContact CB-CE2 3.94Å; E272-Y274 WeakPolarHBondContact CB-OH 3.32Å; E272-Y274 WeakPolarHBondContact O-CE2 3.4Å; E272-Y274 PolarHBondContact OE2-OH 2.76Å; Y274-D276 VanDerWaalsContact C-N 3.31Å; Y274-A279 HydrophobicContact CD1-CB 4.04Å; Y274-A279 HydrophobicContact CG-CB 4.39Å; Y274-L280 HydrophobicContact CD2-CB 4.1Å; Y274-L280 HydrophobicContact CD2-CD1 3.96Å; Y274-L280 HydrophobicContact CE2-CD1 4.39Å; Y274-L280 HydrophobicContact CG-CB 4.32Å; Y274-H283 HydrophobicContact CE1-CB 4.46Å; Y274-H283 HydrophobicContact CE2-CB 4.12Å; Y274-H283 AromaticContact CE2-CG 3.84Å; Y274-H283 AromaticContact CZ-CG 3.68Å; Y274-H283 AromaticContact CZ-ND1 3.54Å; Y274-H283 PolarHBondContact OH-CE1 2.96Å; Y274-H283 PolarHBondContact OH-ND1 2.83Å |
| 275 | A | 85.4 | Confident | 82.5 | Confident | 93 Ų | 93 | 87.5 Ų | 87.5 | 77% | 0.769 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -69.7 | -30.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 276 | D | 86.6 | Confident | 81.7 | Confident | 96 Ų | 96 | 89.1 Ų | 89.1 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -124.8 | 145.9 | -174.3 | -74.3 | -63.7 | 0 | 0 | 0 | 112.8 | Y274 F278 A279 L280 | Y274-D276 VanDerWaalsContact C-N 3.31Å; D276-F278 PolarHBondContact O-N 3.16Å; D276-A279 HydrophobicContact CB-CB 4.03Å; D276-A279 PolarHBondContact O-N 2.97Å; D276-L280 PolarHBondContact O-N 2.95Å; D276-L280 VanDerWaalsContact O-N 3.09Å |
| 277 | P | 84.8 | Confident | 80.5 | Confident | 72 Ų | 72 | 93.4 Ų | 93.4 | 47% | 0.468 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -27.8 | 171.4 | 27.8 | -32.9 | 0 | 0 | 0 | 111.6 | F265 A281 | F265-P277 HydrophobicContact CD1-CB 3.81Å; F265-P277 HydrophobicContact CE1-CB 3.69Å; F265-P277 HydrophobicContact CE1-CG 4.17Å; F265-P277 HydrophobicContact CE2-CG 4.45Å; F265-P277 HydrophobicContact CG-CB 4.33Å; F265-P277 HydrophobicContact CZ-CB 4.11Å; F265-P277 HydrophobicContact CZ-CG 4.09Å; P277-A281 WeakPolarHBondContact O-CB 3.47Å; P277-A281 PolarHBondContact O-N 3.27Å |
| 278 | F | 85.1 | Confident | 79.4 | Confident | 148 Ų | 148 | 96.9 Ų | 96.9 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -74.8 | -34.7 | 177.6 | -161.9 | -118.3 | 0 | 0 | 0 | 112.1 | D276 A281 Q282 | D276-F278 PolarHBondContact O-N 3.16Å; F278-A281 PolarHBondContact O-N 3.04Å; F278-Q282 WeakPolarHBondContact O-CG 3.43Å; F278-Q282 PolarHBondContact O-N 3.05Å |
| 279 | A | 83.8 | Confident | 78.2 | Confident | 38 Ų | 38 | 93.8 Ų | 93.8 | 31% | 0.314 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y274 D276 A281 Q282 H283 | Y274-A279 HydrophobicContact CD1-CB 4.04Å; Y274-A279 HydrophobicContact CG-CB 4.39Å; D276-A279 HydrophobicContact CB-CB 4.03Å; D276-A279 PolarHBondContact O-N 2.97Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-A281 PolarHBondContact O-N 3.16Å; A279-Q282 PolarHBondContact O-N 2.86Å; A279-H283 WeakPolarHBondContact O-CB 3.46Å; A279-H283 PolarHBondContact O-N 3.33Å |
| 280 | L | 87.8 | Confident | 77.2 | Confident | 50 Ų | 50 | 99 Ų | 99 | 26% | 0.262 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 171.4 | 174.1 | 60.5 | 0 | 0 | 0 | 112.4 | F265 C267 Y274 D276 H283 | F265-L280 HydrophobicContact CB-CB 4.12Å; F265-L280 HydrophobicContact CB-CD2 3.89Å; C267-L280 HydrophobicContact CB-CD1 3.52Å; Y274-L280 HydrophobicContact CD2-CB 4.1Å; Y274-L280 HydrophobicContact CD2-CD1 3.96Å; Y274-L280 HydrophobicContact CE2-CD1 4.39Å; Y274-L280 HydrophobicContact CG-CB 4.32Å; D276-L280 PolarHBondContact O-N 2.95Å; D276-L280 VanDerWaalsContact O-N 3.09Å; L280-H283 WeakPolarHBondContact O-CB 3.36Å; L280-H283 PolarHBondContact O-N 2.93Å |
| 281 | A | 82.8 | Confident | 76.4 | Confident | 81 Ų | 81 | 102.5 Ų | 102.5 | 67% | 0.669 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.3 | -29 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P277 F278 A279 | P277-A281 WeakPolarHBondContact O-CB 3.47Å; P277-A281 PolarHBondContact O-N 3.27Å; F278-A281 PolarHBondContact O-N 3.04Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-A281 PolarHBondContact O-N 3.16Å |
| 282 | Q | 80.9 | Confident | 75.8 | Confident | 129 Ų | 129 | 98.8 Ų | 98.8 | 60% | 0.603 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -84.1 | -18.6 | 173.5 | -69.8 | -169.1 | 12.1 | 0 | 0 | 113.4 | F278 A279 R284 | F278-Q282 WeakPolarHBondContact O-CG 3.43Å; F278-Q282 PolarHBondContact O-N 3.05Å; A279-Q282 PolarHBondContact O-N 2.86Å; Q282-R284 PolarHBondContact O-N 3.14Å; Q282-R284 VanDerWaalsContact O-N 3.16Å |
| 283 | H | 83.9 | Confident | 75.2 | Confident | 42 Ų | 42 | 98.7 Ų | 98.7 | 19% | 0.194 | 50% | 0.501 | C | S | . | . | trans | -62.8 | 114.4 | -176.2 | 169.8 | 70.7 | 0 | 0 | 0 | 112.4 | C270 E272 Y274 A279 L280 C285 | C270-H283 PolarHBondContact SG-NE2 2.89Å; E272-H283 IonicContact OE2-CE1 3Å; E272-H283 PolarHBondContact OE2-CE1 3.04Å; E272-H283 IonicContact OE2-ND1 2.74Å; E272-H283 IonicContact OE2-NE2 3.84Å; Y274-H283 HydrophobicContact CE1-CB 4.46Å; Y274-H283 HydrophobicContact CE2-CB 4.12Å; Y274-H283 AromaticContact CE2-CG 3.84Å; Y274-H283 AromaticContact CZ-CG 3.68Å; Y274-H283 AromaticContact CZ-ND1 3.54Å; Y274-H283 PolarHBondContact OH-CE1 2.96Å; Y274-H283 PolarHBondContact OH-ND1 2.83Å; A279-H283 WeakPolarHBondContact O-CB 3.46Å; A279-H283 PolarHBondContact O-N 3.33Å; L280-H283 WeakPolarHBondContact O-CB 3.36Å; L280-H283 PolarHBondContact O-N 2.93Å; H283-C285 WeakPolarHBondContact NE2-CA 2.99Å; H283-C285 WeakPolarHBondContact NE2-CB 3.2Å; H283-C285 PolarHBondContact NE2-N 3.33Å; H283-C285 PolarHBondContact O-N 2.87Å | ||
| 284 | R | 72.5 | Confident | 74.9 | Confident | 240 Ų | 240 | 100.1 Ų | 100.1 | 91% | 0.906 | 50% | 0.501 | S | S | * | . | trans | -87.5 | 87.2 | 172.6 | -68.7 | -178.3 | 178.4 | 145.7 | 3.1 | 109.7 | Q282 S286 | Q282-R284 PolarHBondContact O-N 3.14Å; Q282-R284 VanDerWaalsContact O-N 3.16Å; R284-S286 PolarHBondContact O-N 3.27Å | ||
| 285 | C | 78 | Confident | 75 | Confident | 8 Ų | 8 | 98 Ų | 98 | 5% | 0.054 | 49% | 0.493 | C | S | . | . | trans | -56.9 | 123.9 | -176 | -169.3 | 0 | 0 | 0 | 0 | 113.4 | C270 H283 R287 I288 | C270-C285 VanDerWaalsContact CB-SG 3.51Å; C270-C285 PolarHBondContact N-SG 3.1Å; C270-C285 VanDerWaalsContact N-SG 3.39Å; C270-C285 VanDerWaalsContact SG-SG 3.7Å; H283-C285 WeakPolarHBondContact NE2-CA 2.99Å; H283-C285 WeakPolarHBondContact NE2-CB 3.2Å; H283-C285 PolarHBondContact NE2-N 3.33Å; H283-C285 PolarHBondContact O-N 2.87Å; C285-R287 VanDerWaalsContact C-N 3.3Å; C285-R287 PolarHBondContact O-N 3.25Å; C285-R287 PolarHBondContact SG-N 3.47Å; C285-I288 HydrophobicContact CB-CB 4.46Å; C285-I288 HydrophobicContact CB-CD1 4.03Å; C285-I288 HydrophobicContact CB-CG1 3.97Å; C285-I288 CarbonylContact O-C 3.53Å; C285-I288 WeakPolarHBondContact O-CA 3.17Å; C285-I288 VanDerWaalsContact O-CB 3.28Å; C285-I288 WeakPolarHBondContact O-CB 3.41Å; C285-I288 PolarHBondContact O-N 3.19Å; C285-I288 VanDerWaalsContact O-N 3.1Å | ||
| 286 | S | 64.9 | Low | 74.9 | Confident | 89 Ų | 89 | 98.6 Ų | 98.6 | 62% | 0.622 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -25 | 174.8 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | R284 I288 V289 | R284-S286 PolarHBondContact O-N 3.27Å; S286-I288 VanDerWaalsContact C-N 3.3Å; S286-I288 CarbonylContact O-C 3.54Å; S286-V289 PolarHBondContact O-N 3.33Å; S286-V289 VanDerWaalsContact O-N 3.16Å |
| 287 | R | 57.9 | Low | 74.7 | Confident | 156 Ų | 156 | 98 Ų | 98 | 59% | 0.589 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -6.9 | 169.3 | -62.7 | -147.5 | -153.9 | 107.7 | 13.1 | 113.8 | L269 C270 C285 V289 | L269-R287 WeakPolarHBondContact O-CD 3.43Å; L269-R287 PolarHBondContact O-NH1 3.45Å; C270-R287 VanDerWaalsContact CA-NH1 3.29Å; C270-R287 VanDerWaalsContact O-CZ 3.25Å; C270-R287 PolarHBondContact O-NH1 3.3Å; C270-R287 PolarHBondContact O-NH2 3.39Å; C270-R287 VanDerWaalsContact O-NH2 3.13Å; C285-R287 VanDerWaalsContact C-N 3.3Å; C285-R287 PolarHBondContact O-N 3.25Å; C285-R287 PolarHBondContact SG-N 3.47Å; R287-V289 PolarHBondContact O-N 3.07Å |
| 288 | I | 61.6 | Low | 74.7 | Confident | 88 Ų | 88 | 96 Ų | 96 | 45% | 0.451 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -72.7 | 74.5 | 138.4 | -52.5 | 166.1 | 0 | 0 | 0 | 105.8 | L269 C285 S286 R290 | L269-I288 HydrophobicContact CD1-CD1 3.88Å; L269-I288 HydrophobicContact CD1-CG1 3.41Å; L269-I288 VanDerWaalsContact CD1-CG1 3.41Å; C285-I288 HydrophobicContact CB-CB 4.46Å; C285-I288 HydrophobicContact CB-CD1 4.03Å; C285-I288 HydrophobicContact CB-CG1 3.97Å; C285-I288 CarbonylContact O-C 3.53Å; C285-I288 WeakPolarHBondContact O-CA 3.17Å; C285-I288 VanDerWaalsContact O-CB 3.28Å; C285-I288 WeakPolarHBondContact O-CB 3.41Å; C285-I288 PolarHBondContact O-N 3.19Å; C285-I288 VanDerWaalsContact O-N 3.1Å; S286-I288 VanDerWaalsContact C-N 3.3Å; S286-I288 CarbonylContact O-C 3.54Å; I288-R290 PolarHBondContact O-N 3.08Å; I288-R290 VanDerWaalsContact O-N 3.16Å |
| 289 | V | 53 | Low | 74.5 | Confident | 113 Ų | 113 | 96.2 Ų | 96.2 | 69% | 0.685 | 48% | 0.479 | S | S | * | . | trans | -44.1 | 125.7 | 146.8 | 173.9 | 0 | 0 | 0 | 0 | 104.1 | S286 R287 V291 | S286-V289 PolarHBondContact O-N 3.33Å; S286-V289 VanDerWaalsContact O-N 3.16Å; R287-V289 PolarHBondContact O-N 3.07Å; V289-V291 VanDerWaalsContact C-N 3.34Å; V289-V291 WeakPolarHBondContact O-CG2 3.34Å; V289-V291 PolarHBondContact O-N 3.17Å | ||
| 290 | R | 55.3 | Low | 74.4 | Confident | 204 Ų | 204 | 100.1 Ų | 100.1 | 77% | 0.77 | 49% | 0.488 | S | S | * | . | trans | -47.4 | 102.6 | -175.4 | -79.4 | 176.1 | 162.1 | 142.8 | -5.1 | 108.3 | I288 E292 | I288-R290 PolarHBondContact O-N 3.08Å; I288-R290 VanDerWaalsContact O-N 3.16Å; R290-E292 HydrophobicContact CB-CG 4.37Å; R290-E292 PolarHBondContact O-N 2.91Å | ||
| 291 | V | 62.9 | Low | 74.2 | Confident | 79 Ų | 79 | 101 Ų | 101 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | trans | -73.9 | 85.8 | 173.1 | 178.8 | 0 | 0 | 0 | 0 | 103.4 | V289 Y293 | V289-V291 VanDerWaalsContact C-N 3.34Å; V289-V291 WeakPolarHBondContact O-CG2 3.34Å; V289-V291 PolarHBondContact O-N 3.17Å; V291-Y293 HydrophobicContact CB-CE2 4.19Å; V291-Y293 HydrophobicContact CG1-CD1 4.09Å; V291-Y293 HydrophobicContact CG1-CD2 4.49Å; V291-Y293 HydrophobicContact CG1-CE1 3.71Å; V291-Y293 HydrophobicContact CG1-CE2 4.15Å; V291-Y293 HydrophobicContact CG1-CG 4.47Å; V291-Y293 WeakPolarHBondContact O-CD2 3.41Å; V291-Y293 WeakPolarHBondContact O-CE2 3.34Å; V291-Y293 PolarHBondContact O-N 3.04Å | ||
| 292 | E | 68.5 | Low | 74.1 | Confident | 85 Ų | 85 | 99 Ų | 99 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | trans | -60.9 | 95.6 | 173.6 | -73 | -166.8 | 167.8 | 0 | 0 | 105.8 | R290 R294 V301 | R290-E292 HydrophobicContact CB-CG 4.37Å; R290-E292 PolarHBondContact O-N 2.91Å; E292-R294 HydrophobicContact CB-CG 4.24Å; E292-R294 WeakPolarHBondContact O-CG 3.31Å; E292-R294 PolarHBondContact O-N 3.23Å; E292-R294 IonicContact OE2-CZ 3.39Å; E292-R294 IonicContact OE2-NE 3.22Å; E292-R294 PolarHBondContact OE2-NE 3.3Å; E292-R294 IonicContact OE2-NH2 2.71Å; E292-R294 PolarHBondContact OE2-NH2 3.46Å; E292-V301 HydrophobicContact CB-CG1 3.61Å; E292-V301 HydrophobicContact CB-CG2 4.37Å; E292-V301 HydrophobicContact CG-CG1 3.56Å | ||
| 293 | Y | 71.5 | Confident | 74.1 | Confident | 83 Ų | 83 | 97.7 Ų | 97.7 | 33% | 0.325 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 83.6 | 176.2 | -67.7 | -76.1 | 0 | 0 | 0 | 106.4 | V291 F302 P305 L308 | V291-Y293 HydrophobicContact CB-CE2 4.19Å; V291-Y293 HydrophobicContact CG1-CD1 4.09Å; V291-Y293 HydrophobicContact CG1-CD2 4.49Å; V291-Y293 HydrophobicContact CG1-CE1 3.71Å; V291-Y293 HydrophobicContact CG1-CE2 4.15Å; V291-Y293 HydrophobicContact CG1-CG 4.47Å; V291-Y293 WeakPolarHBondContact O-CD2 3.41Å; V291-Y293 WeakPolarHBondContact O-CE2 3.34Å; V291-Y293 PolarHBondContact O-N 3.04Å; Y293-F302 WeakPolarHBondContact CB-O 3.32Å; Y293-F302 PolarHBondContact N-O 3.19Å; Y293-F302 WeakPolarHBondContact O-CD2 3.16Å; Y293-F302 PolarHBondContact O-N 2.72Å; Y293-P305 HydrophobicContact CD1-CB 4.41Å; Y293-P305 HydrophobicContact CD2-CB 4.47Å; Y293-P305 HydrophobicContact CE1-CB 4.13Å; Y293-P305 HydrophobicContact CE2-CB 4.2Å; Y293-P305 HydrophobicContact CE2-CG 4.27Å; Y293-L308 HydrophobicContact CD1-CD2 4.43Å |
| 294 | R | 80.8 | Confident | 73.8 | Confident | 157 Ų | 157 | 98.4 Ų | 98.4 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 138.2 | 175.1 | -53.1 | -157.3 | 174.5 | 177.7 | -2.2 | 107.8 | E292 V301 | E292-R294 HydrophobicContact CB-CG 4.24Å; E292-R294 WeakPolarHBondContact O-CG 3.31Å; E292-R294 PolarHBondContact O-N 3.23Å; E292-R294 IonicContact OE2-CZ 3.39Å; E292-R294 IonicContact OE2-NE 3.22Å; E292-R294 PolarHBondContact OE2-NE 3.3Å; E292-R294 IonicContact OE2-NH2 2.71Å; E292-R294 PolarHBondContact OE2-NH2 3.46Å; R294-V301 HydrophobicContact CG-CG2 4.04Å |
| 295 | C | 87.4 | Confident | 74.2 | Confident | 7 Ų | 7 | 90.4 Ų | 90.4 | 5% | 0.047 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 132.2 | 175 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | E297 C298 K300 L308 H315 | C295-E297 PolarHBondContact O-N 2.86Å; C295-C298 CarbonylContact C-O 3.39Å; C295-C298 VanDerWaalsContact CB-O 3.28Å; C295-C298 WeakPolarHBondContact CB-O 3.25Å; C295-C298 CarbonylContact O-C 3.56Å; C295-C298 PolarHBondContact O-N 3.06Å; C295-K300 PolarHBondContact N-O 3.21Å; C295-L308 HydrophobicContact CB-CD1 3.95Å; C295-H315 PolarHBondContact SG-CD2 3.29Å |
| 296 | P | 82.4 | Confident | 74.2 | Confident | 105 Ų | 105 | 93 Ų | 93 | 68% | 0.682 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.2 | 176.1 | 29.4 | -35.4 | 0 | 0 | 0 | 112.5 | ||
| 297 | E | 82.8 | Confident | 75.1 | Confident | 85 Ų | 85 | 93 Ų | 93 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -9.6 | -175.8 | -61.8 | 148.7 | -94.8 | 0 | 0 | 111.7 | C295 R312 H315 | C295-E297 PolarHBondContact O-N 2.86Å; E297-R312 IonicContact OE1-CZ 3.67Å; E297-R312 IonicContact OE1-NE 3.81Å; E297-R312 PolarHBondContact OE1-NE 3.29Å; E297-R312 IonicContact OE1-NH2 3.96Å; E297-H315 HydrophobicContact CB-CB 3.87Å; E297-H315 VanDerWaalsContact CB-CD2 3.46Å; E297-H315 WeakPolarHBondContact CB-CD2 3.28Å; E297-H315 HydrophobicContact CG-CB 4.28Å; E297-H315 PolarHBondContact O-CE1 3.07Å; E297-H315 WeakPolarHBondContact OE2-CB 3.33Å |
| 298 | C | 84.6 | Confident | 76.5 | Confident | 29 Ų | 29 | 86.9 Ų | 86.9 | 20% | 0.196 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | 157.5 | 158.5 | 70.3 | 0 | 0 | 0 | 0 | 111.8 | C295 K300 H311 H315 | C295-C298 CarbonylContact C-O 3.39Å; C295-C298 VanDerWaalsContact CB-O 3.28Å; C295-C298 WeakPolarHBondContact CB-O 3.25Å; C295-C298 CarbonylContact O-C 3.56Å; C295-C298 PolarHBondContact O-N 3.06Å; C298-K300 PolarHBondContact O-N 2.97Å; C298-K300 VanDerWaalsContact SG-CE 3.51Å; C298-K300 VanDerWaalsContact SG-CG 3.56Å; C298-H311 PolarHBondContact SG-NE2 2.86Å; C298-H311 VanDerWaalsContact SG-NE2 3.44Å; C298-H315 PolarHBondContact SG-CE1 3.34Å; C298-H315 PolarHBondContact SG-NE2 3.38Å |
| 299 | D | 81.8 | Confident | 77.6 | Confident | 153 Ų | 153 | 85.1 Ų | 85.1 | 82% | 0.818 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 20.5 | -171.4 | -48.8 | -83.3 | 0 | 0 | 0 | 116.8 | V301 | D299-V301 PolarHBondContact O-N 3.48Å |
| 300 | K | 80.4 | Confident | 79.2 | Confident | 119 Ų | 119 | 83 Ų | 83 | 52% | 0.517 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 120 | 176.1 | -63.1 | -176.8 | -153.3 | -44.1 | 0 | 110.2 | C295 C298 F302 | C295-K300 PolarHBondContact N-O 3.21Å; C298-K300 PolarHBondContact O-N 2.97Å; C298-K300 VanDerWaalsContact SG-CE 3.51Å; C298-K300 VanDerWaalsContact SG-CG 3.56Å; K300-F302 HydrophobicContact CB-CE2 3.62Å; K300-F302 HydrophobicContact CB-CZ 3.92Å; K300-F302 WeakPolarHBondContact O-CD2 3.1Å; K300-F302 VanDerWaalsContact O-CE2 3.32Å; K300-F302 WeakPolarHBondContact O-CE2 3.47Å |
| 301 | V | 84.9 | Confident | 80.8 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 130.4 | 176 | 171 | 0 | 0 | 0 | 0 | 110.5 | E292 R294 D299 | E292-V301 HydrophobicContact CB-CG1 3.61Å; E292-V301 HydrophobicContact CB-CG2 4.37Å; E292-V301 HydrophobicContact CG-CG1 3.56Å; R294-V301 HydrophobicContact CG-CG2 4.04Å; D299-V301 PolarHBondContact O-N 3.48Å |
| 302 | F | 81.1 | Confident | 81.9 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 18% | 0.18 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.7 | 173.1 | -62.5 | -88.4 | 0 | 0 | 0 | 111.7 | Y293 K300 C304 N307 L308 H311 | Y293-F302 WeakPolarHBondContact CB-O 3.32Å; Y293-F302 PolarHBondContact N-O 3.19Å; Y293-F302 WeakPolarHBondContact O-CD2 3.16Å; Y293-F302 PolarHBondContact O-N 2.72Å; K300-F302 HydrophobicContact CB-CE2 3.62Å; K300-F302 HydrophobicContact CB-CZ 3.92Å; K300-F302 WeakPolarHBondContact O-CD2 3.1Å; K300-F302 VanDerWaalsContact O-CE2 3.32Å; K300-F302 WeakPolarHBondContact O-CE2 3.47Å; F302-C304 VanDerWaalsContact C-N 3.31Å; F302-N307 HydrophobicContact CB-CB 4.48Å; F302-N307 HydrophobicContact CD1-CB 3.9Å; F302-L308 HydrophobicContact CB-CB 4.37Å; F302-L308 HydrophobicContact CD2-CB 4.47Å; F302-L308 HydrophobicContact CD2-CD1 4.08Å; F302-H311 HydrophobicContact CE1-CB 4.09Å; F302-H311 HydrophobicContact CE2-CB 4.01Å; F302-H311 AromaticContact CE2-CD2 3.16Å; F302-H311 WeakPolarHBondContact CE2-CD2 3.36Å; F302-H311 AromaticContact CE2-CG 3.67Å; F302-H311 AromaticContact CE2-NE2 3.87Å; F302-H311 HydrophobicContact CZ-CB 3.62Å; F302-H311 AromaticContact CZ-CD2 3.32Å; F302-H311 WeakPolarHBondContact CZ-CD2 3.31Å; F302-H311 AromaticContact CZ-CG 3.34Å; F302-H311 AromaticContact CZ-ND1 3.98Å; F302-H311 AromaticContact CZ-NE2 3.93Å |
| 303 | S | 79.6 | Confident | 82.9 | Confident | 100 Ų | 100 | 82.5 Ų | 82.5 | 70% | 0.699 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -81.7 | -5.7 | 177.1 | -171.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 304 | C | 77.5 | Confident | 83.4 | Confident | 57 Ų | 57 | 89.4 Ų | 89.4 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -141.1 | 135.9 | -177.6 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | F302 A306 N307 L308 | F302-C304 VanDerWaalsContact C-N 3.31Å; C304-A306 VanDerWaalsContact C-N 3.31Å; C304-A306 PolarHBondContact O-N 2.73Å; C304-N307 HydrophobicContact CB-CB 4.48Å; C304-N307 PolarHBondContact O-N 2.93Å; C304-N307 VanDerWaalsContact O-N 3.1Å; C304-L308 PolarHBondContact O-N 2.89Å |
| 305 | P | 80.8 | Confident | 83.5 | Confident | 72 Ų | 72 | 84.7 Ų | 84.7 | 47% | 0.468 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.9 | -28.9 | -176.9 | 26.6 | -33.7 | 0 | 0 | 0 | 113 | Y293 N307 L308 A309 | Y293-P305 HydrophobicContact CD1-CB 4.41Å; Y293-P305 HydrophobicContact CD2-CB 4.47Å; Y293-P305 HydrophobicContact CE1-CB 4.13Å; Y293-P305 HydrophobicContact CE2-CB 4.2Å; Y293-P305 HydrophobicContact CE2-CG 4.27Å; P305-N307 VanDerWaalsContact C-N 3.27Å; P305-N307 PolarHBondContact O-N 2.85Å; P305-L308 WeakPolarHBondContact O-CB 3.49Å; P305-L308 PolarHBondContact O-N 3.03Å; P305-A309 WeakPolarHBondContact O-CB 3.47Å; P305-A309 PolarHBondContact O-N 2.89Å |
| 306 | A | 79.6 | Confident | 83.1 | Confident | 64 Ų | 64 | 92.2 Ų | 92.2 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -32.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C304 S310 | C304-A306 VanDerWaalsContact C-N 3.31Å; C304-A306 PolarHBondContact O-N 2.73Å; A306-S310 WeakPolarHBondContact O-CB 3.48Å; A306-S310 PolarHBondContact O-N 3.16Å; A306-S310 PolarHBondContact O-OG 2.95Å |
| 307 | N | 83.1 | Confident | 82.3 | Confident | 89 Ų | 89 | 92.2 Ų | 92.2 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76 | -40.5 | 177.2 | -66.9 | -12.6 | 0 | 0 | 0 | 110.8 | F302 C304 P305 S310 H311 | F302-N307 HydrophobicContact CB-CB 4.48Å; F302-N307 HydrophobicContact CD1-CB 3.9Å; C304-N307 HydrophobicContact CB-CB 4.48Å; C304-N307 PolarHBondContact O-N 2.93Å; C304-N307 VanDerWaalsContact O-N 3.1Å; P305-N307 VanDerWaalsContact C-N 3.27Å; P305-N307 PolarHBondContact O-N 2.85Å; N307-S310 PolarHBondContact O-N 3.07Å; N307-H311 VanDerWaalsContact O-CB 3.31Å; N307-H311 WeakPolarHBondContact O-CB 3.44Å; N307-H311 PolarHBondContact O-N 3.35Å |
| 308 | L | 86.5 | Confident | 80.9 | Confident | 27 Ų | 27 | 99.4 Ų | 99.4 | 14% | 0.141 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -56.2 | -50.9 | 168.6 | 178.3 | 83.7 | 0 | 0 | 0 | 110.9 | Y293 C295 F302 C304 P305 S310 H311 R312 | Y293-L308 HydrophobicContact CD1-CD2 4.43Å; C295-L308 HydrophobicContact CB-CD1 3.95Å; F302-L308 HydrophobicContact CB-CB 4.37Å; F302-L308 HydrophobicContact CD2-CB 4.47Å; F302-L308 HydrophobicContact CD2-CD1 4.08Å; C304-L308 PolarHBondContact O-N 2.89Å; P305-L308 WeakPolarHBondContact O-CB 3.49Å; P305-L308 PolarHBondContact O-N 3.03Å; L308-S310 PolarHBondContact O-N 3.38Å; L308-H311 PolarHBondContact O-N 3.12Å; L308-R312 HydrophobicContact CD1-CG 4.48Å; L308-R312 HydrophobicContact CG-CG 4.37Å; L308-R312 WeakPolarHBondContact O-CG 3.44Å; L308-R312 PolarHBondContact O-N 2.87Å |
| 309 | A | 84.5 | Confident | 79.2 | Confident | 50 Ų | 50 | 103.6 Ų | 103.6 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -31.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P305 R313 | P305-A309 WeakPolarHBondContact O-CB 3.47Å; P305-A309 PolarHBondContact O-N 2.89Å; A309-R313 WeakPolarHBondContact O-CG 3.37Å |
| 310 | S | 86.8 | Confident | 77.6 | Confident | 69 Ų | 69 | 100.7 Ų | 100.7 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.3 | -37.8 | 172.5 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | A306 N307 L308 R313 | A306-S310 WeakPolarHBondContact O-CB 3.48Å; A306-S310 PolarHBondContact O-N 3.16Å; A306-S310 PolarHBondContact O-OG 2.95Å; N307-S310 PolarHBondContact O-N 3.07Å; L308-S310 PolarHBondContact O-N 3.38Å; S310-R313 PolarHBondContact O-N 3.38Å |
| 311 | H | 89.6 | Confident | 75.9 | Confident | 32 Ų | 32 | 99.8 Ų | 99.8 | 15% | 0.148 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -69.6 | -41 | 178.3 | 174.9 | 53.3 | 0 | 0 | 0 | 113 | C298 F302 N307 L308 R313 W314 H315 | C298-H311 PolarHBondContact SG-NE2 2.86Å; C298-H311 VanDerWaalsContact SG-NE2 3.44Å; F302-H311 HydrophobicContact CE1-CB 4.09Å; F302-H311 HydrophobicContact CE2-CB 4.01Å; F302-H311 AromaticContact CE2-CD2 3.16Å; F302-H311 WeakPolarHBondContact CE2-CD2 3.36Å; F302-H311 AromaticContact CE2-CG 3.67Å; F302-H311 AromaticContact CE2-NE2 3.87Å; F302-H311 HydrophobicContact CZ-CB 3.62Å; F302-H311 AromaticContact CZ-CD2 3.32Å; F302-H311 WeakPolarHBondContact CZ-CD2 3.31Å; F302-H311 AromaticContact CZ-CG 3.34Å; F302-H311 AromaticContact CZ-ND1 3.98Å; F302-H311 AromaticContact CZ-NE2 3.93Å; N307-H311 VanDerWaalsContact O-CB 3.31Å; N307-H311 WeakPolarHBondContact O-CB 3.44Å; N307-H311 PolarHBondContact O-N 3.35Å; L308-H311 PolarHBondContact O-N 3.12Å; H311-R313 PolarHBondContact O-N 2.87Å; H311-R313 VanDerWaalsContact O-N 3.14Å; H311-W314 WeakPolarHBondContact O-CB 3.48Å; H311-W314 PolarHBondContact O-N 3.12Å; H311-H315 AromaticContact CD2-NE2 3.89Å; H311-H315 AromaticContact CE1-CD2 3.93Å; H311-H315 AromaticContact CE1-NE2 3.34Å; H311-H315 PolarHBondContact CE1-NE2 3.43Å; H311-H315 VanDerWaalsContact CE1-NE2 3.34Å; H311-H315 AromaticContact NE2-CD2 3.7Å; H311-H315 AromaticContact NE2-NE2 3.03Å; H311-H315 PolarHBondContact NE2-NE2 3.29Å |
| 312 | R | 87.1 | Confident | 73.8 | Confident | 123 Ų | 123 | 101.1 Ų | 101.1 | 46% | 0.464 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.9 | -26.9 | 176 | -70.5 | -179.3 | 69.5 | -155.9 | -2.3 | 113.1 | E297 L308 W314 H315 | E297-R312 IonicContact OE1-CZ 3.67Å; E297-R312 IonicContact OE1-NE 3.81Å; E297-R312 PolarHBondContact OE1-NE 3.29Å; E297-R312 IonicContact OE1-NH2 3.96Å; L308-R312 HydrophobicContact CD1-CG 4.48Å; L308-R312 HydrophobicContact CG-CG 4.37Å; L308-R312 WeakPolarHBondContact O-CG 3.44Å; L308-R312 PolarHBondContact O-N 2.87Å; R312-W314 PolarHBondContact O-N 2.95Å; R312-H315 PolarHBondContact O-N 2.97Å |
| 313 | R | 87.5 | Confident | 71.6 | Confident | 203 Ų | 203 | 106.9 Ų | 106.9 | 77% | 0.766 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.6 | -18.1 | 173.3 | -63.1 | 173.7 | -172.8 | -141 | -0.8 | 113.7 | A309 S310 H311 | A309-R313 WeakPolarHBondContact O-CG 3.37Å; S310-R313 PolarHBondContact O-N 3.38Å; H311-R313 PolarHBondContact O-N 2.87Å; H311-R313 VanDerWaalsContact O-N 3.14Å |
| 314 | W | 82.3 | Confident | 69.5 | Low | 227 Ų | 227 | 106.1 Ų | 106.1 | 86% | 0.86 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -83 | -24.6 | 173.6 | -81 | 68.9 | 0 | 0 | 0 | 113.4 | H311 R312 K316 | H311-W314 WeakPolarHBondContact O-CB 3.48Å; H311-W314 PolarHBondContact O-N 3.12Å; R312-W314 PolarHBondContact O-N 2.95Å; W314-K316 VanDerWaalsContact C-N 3.33Å |
| 315 | H | 82.9 | Confident | 67.6 | Low | 58 Ų | 58 | 108.3 Ų | 108.3 | 27% | 0.269 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -80.1 | -13.8 | 178.8 | -73.7 | -59.2 | 0 | 0 | 0 | 113.9 | C295 E297 C298 H311 R312 P317 | C295-H315 PolarHBondContact SG-CD2 3.29Å; E297-H315 HydrophobicContact CB-CB 3.87Å; E297-H315 VanDerWaalsContact CB-CD2 3.46Å; E297-H315 WeakPolarHBondContact CB-CD2 3.28Å; E297-H315 HydrophobicContact CG-CB 4.28Å; E297-H315 PolarHBondContact O-CE1 3.07Å; E297-H315 WeakPolarHBondContact OE2-CB 3.33Å; C298-H315 PolarHBondContact SG-CE1 3.34Å; C298-H315 PolarHBondContact SG-NE2 3.38Å; H311-H315 AromaticContact CD2-NE2 3.89Å; H311-H315 AromaticContact CE1-CD2 3.93Å; H311-H315 AromaticContact CE1-NE2 3.34Å; H311-H315 PolarHBondContact CE1-NE2 3.43Å; H311-H315 VanDerWaalsContact CE1-NE2 3.34Å; H311-H315 AromaticContact NE2-CD2 3.7Å; H311-H315 AromaticContact NE2-NE2 3.03Å; H311-H315 PolarHBondContact NE2-NE2 3.29Å; R312-H315 PolarHBondContact O-N 2.97Å; H315-P317 WeakPolarHBondContact O-CD 3.37Å |
| 316 | K | 80.5 | Confident | 65.4 | Low | 165 Ų | 165 | 110.5 Ų | 110.5 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -78.3 | 101.4 | 169.1 | -164.7 | 75.4 | 177.2 | -178.9 | 0 | 108.5 | W314 R318 | W314-K316 VanDerWaalsContact C-N 3.33Å; K316-R318 PolarHBondContact O-N 2.83Å |
| 317 | P | 65.6 | Low | 63.5 | Low | 106 Ų | 106 | 114.3 Ų | 114.3 | 69% | 0.688 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.2 | 172.4 | 26.9 | -35.2 | 0 | 0 | 0 | 108.1 | H315 P319 | H315-P317 WeakPolarHBondContact O-CD 3.37Å; P317-P319 WeakPolarHBondContact O-CD 3.33Å |
| 318 | R | 52.2 | Low | 61.1 | Low | 236 Ų | 236 | 115.3 Ų | 115.3 | 89% | 0.891 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 119.4 | 173 | -174.5 | -179.1 | -166 | -127 | 2.7 | 106.9 | K316 A320 | K316-R318 PolarHBondContact O-N 2.83Å; R318-A320 PolarHBondContact O-N 2.91Å |
| 319 | P | 48.8 | Very low | 58.6 | Low | 116 Ų | 116 | 119.7 Ų | 119.7 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 119.2 | 177.6 | 23.8 | -32.3 | 0 | 0 | 0 | 108.2 | P317 | P317-P319 WeakPolarHBondContact O-CD 3.33Š|
| 320 | A | 47.8 | Very low | 56.4 | Low | 92 Ų | 92 | 121.9 Ų | 121.9 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 134.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | R318 A322 | R318-A320 PolarHBondContact O-N 2.91Å; A320-A322 PolarHBondContact O-N 3.32Å |
| 321 | A | 45.4 | Very low | 53.9 | Low | 101 Ų | 101 | 126.2 Ų | 126.2 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | -66.1 | 105.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | N323 | A321-N323 PolarHBondContact O-N 3.16Å; A321-N323 VanDerWaalsContact O-N 3.16Å | ||
| 322 | A | 40.4 | Very low | 51.2 | Low | 95 Ų | 95 | 127.9 Ų | 127.9 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -76.8 | 100.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110 | A320 | A320-A322 PolarHBondContact O-N 3.32Š| ||
| 323 | N | 35.2 | Very low | 48.6 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -100.3 | 97.9 | 154.8 | -77 | -15 | 0 | 0 | 0 | 106.8 | A321 | A321-N323 PolarHBondContact O-N 3.16Å; A321-N323 VanDerWaalsContact O-N 3.16Å | ||
| 324 | A | 34.8 | Very low | 46.6 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | trans | -70.9 | 140.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T326 | A324-T326 PolarHBondContact O-N 2.88Š| ||
| 325 | A | 37.4 | Very low | 45.5 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -82 | 93.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 326 | T | 35.8 | Very low | 43 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -86.9 | 113.1 | 165.7 | 48.4 | 0 | 0 | 0 | 0 | 109.2 | A324 | A324-T326 PolarHBondContact O-N 2.88Š| ||
| 327 | V | 39.3 | Very low | 40.8 | Very low | 144 Ų | 144 | 121.2 Ų | 121.2 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | trans | -70.2 | 139.5 | 167.8 | -71.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 328 | S | 33.4 | Very low | 39.2 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -139.3 | 126.2 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 329 | S | 33.1 | Very low | 38.5 | Very low | 120 Ų | 120 | 115.6 Ų | 115.6 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -151.1 | 117.7 | 172.9 | -70.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 330 | A | 39.5 | Very low | 37.9 | Very low | 96 Ų | 96 | 115.3 Ų | 115.3 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | 59.6 | 163.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 331 | D | 34 | Very low | 37.3 | Very low | 160 Ų | 160 | 115.1 Ų | 115.1 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | cis | -155.7 | -179.6 | 0.2 | -144.3 | -46.4 | 0 | 0 | 0 | 109.9 | ||||
| 332 | G | 32.9 | Very low | 37 | Very low | 67 Ų | 67 | 115.7 Ų | 115.7 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 86.9 | 149.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 333 | K | 32.8 | Very low | 37.3 | Very low | 204 Ų | 204 | 122 Ų | 122 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -172.1 | 160.3 | -174.2 | -163 | 163.8 | 176.7 | 179.4 | 0 | 107.8 | ||||
| 334 | P | 45.5 | Very low | 37.3 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | cis | -115.4 | -95.1 | 11.1 | 18.9 | 7.1 | 0 | 0 | 0 | 119.3 | ||||
| 335 | P | 58.8 | Low | 38 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -143.4 | -161.2 | -132.1 | 48.2 | -27.7 | 0 | 0 | 0 | 118.4 | ||||
| 336 | S | 30.7 | Very low | 37.9 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 81.4 | 144.3 | 160.6 | 76 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 337 | S | 33.1 | Very low | 37.9 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | cis | -164.4 | 143.5 | -17.9 | 44.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 338 | S | 33.4 | Very low | 38 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 15.9 | 125.7 | 150.6 | 60.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 339 | S | 36.9 | Very low | 38.3 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 161.6 | 157.9 | 131.7 | 50.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 340 | S | 36.3 | Very low | 38.2 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | cis | -164.7 | 130.2 | -31.8 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 341 | A | 35.3 | Very low | 37.8 | Very low | 89 Ų | 89 | 122.8 Ų | 122.8 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 58.5 | 129 | 142.6 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 342 | S | 39.3 | Very low | 38.1 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 72.6 | 156.1 | 146 | 84.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 343 | R | 44.9 | Very low | 38.3 | Very low | 227 Ų | 227 | 125 Ų | 125 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | cis | -131.2 | 133.8 | -1.1 | -84.7 | -171.6 | 156.5 | 127.6 | -6.4 | 108 | ||||
| 344 | D | 36.9 | Very low | 38.4 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | 70.1 | 117.9 | 77.4 | -176.5 | 35.1 | 0 | 0 | 0 | 116.2 | |||||
| 345 | S | 47.9 | Very low | 37.7 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -179.2 | 105.2 | 150.6 | -79.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 346 | G | 35.7 | Very low | 36.6 | Very low | 66 Ų | 66 | 124.2 Ų | 124.2 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | 59.4 | 114.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 347 | A | 37.1 | Very low | 36.7 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | 56.8 | 134.9 | 38.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 348 | I | 41.2 | Very low | 36.7 | Very low | 169 Ų | 169 | 129 Ų | 129 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | cis | -154.7 | 153.5 | 32.7 | -73.4 | 176.2 | 0 | 0 | 0 | 107.4 | ||||
| 349 | A | 38.2 | Very low | 36.4 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | cis | -163.7 | 155.4 | -21.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 350 | S | 32.7 | Very low | 36.4 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | 28.9 | 132.8 | 134.8 | -45.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 351 | F | 30.9 | Very low | 36.3 | Very low | 184 Ų | 184 | 137 Ų | 137 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | -168.9 | 122.5 | 94.4 | -108.1 | -104.2 | 0 | 0 | 0 | 106.5 | |||||
| 352 | L | 40 | Very low | 36.3 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | 54.2 | 133.6 | 83.7 | -52.9 | 179.9 | 0 | 0 | 0 | 113.1 | |||||
| 353 | E | 37 | Very low | 36.1 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | cis | -158.3 | 149.3 | 0.9 | -122.1 | 166.4 | -165 | 0 | 0 | 109.8 | ||||
| 354 | E | 34 | Very low | 35.7 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | 66.6 | 147.8 | 112.9 | -166.5 | 159.3 | 146.6 | 0 | 0 | 118.1 | |||||
| 355 | G | 30.7 | Very low | 35.4 | Very low | 62 Ų | 62 | 140.2 Ų | 140.2 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | trans | 113.7 | 111 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 356 | K | 35.8 | Very low | 34.7 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | cis | 65.3 | 118.7 | 24.6 | -135.3 | 158 | 170.9 | -172.9 | 0 | 109.6 | ||||
| 357 | E | 33.6 | Very low | 34.7 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | cis | -162.7 | -163.8 | 16.4 | 59.7 | -171.7 | 84.1 | 0 | 0 | 115.9 | ||||
| 358 | N | 32.2 | Very low | 34.5 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -72.1 | 138.7 | -169.1 | -50.6 | -76 | 0 | 0 | 0 | 115.3 | ||||
| 359 | S | 28.8 | Very low | 34.3 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | -174.9 | 123.4 | 128.6 | 34 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 360 | R | 35.5 | Very low | 34 | Very low | 239 Ų | 239 | 151.2 Ų | 151.2 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | 63.8 | 99.2 | 66.4 | -167.3 | -165.4 | -170.6 | -156.3 | 3.5 | 113.7 | |||||
| 361 | I | 34.4 | Very low | 33.8 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | -150.2 | 126.6 | 138.8 | -95.3 | 141.6 | 0 | 0 | 0 | 107.5 | R363 | I361-R363 HydrophobicContact CG2-CG 4.1Š| ||
| 362 | E | 35.3 | Very low | 33.9 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -86 | 135.8 | 156.9 | -77.2 | -169.5 | 103.3 | 0 | 0 | 108.4 | ||||
| 363 | R | 35.5 | Very low | 33.5 | Very low | 233 Ų | 233 | 155 Ų | 155 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -130.5 | 94.2 | 159.8 | -92.4 | -173.9 | 172 | 166.2 | -0.7 | 110.1 | I361 A365 | I361-R363 HydrophobicContact CG2-CG 4.1Å; R363-A365 PolarHBondContact O-N 2.94Å | ||
| 364 | T | 36.4 | Very low | 33.4 | Very low | 136 Ų | 136 | 153.7 Ų | 153.7 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -62.7 | 115.1 | 159 | 49.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 365 | A | 30.7 | Very low | 33.3 | Very low | 87 Ų | 87 | 151.8 Ų | 151.8 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | trans | -143.6 | 110.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | R363 | R363-A365 PolarHBondContact O-N 2.94Š| ||
| 366 | D | 32.3 | Very low | 33.5 | Very low | 150 Ų | 150 | 152.4 Ų | 152.4 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -73 | 135.5 | 169.1 | -152.9 | -56.5 | 0 | 0 | 0 | 108.9 | ||||
| 367 | Q | 36.2 | Very low | 33.5 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -171 | 83.9 | 161.4 | -110.4 | 152.3 | 113.7 | 0 | 0 | 110.9 | P369 | Q367-P369 WeakPolarHBondContact O-CD 3.38Š| ||
| 368 | H | 34.1 | Very low | 33.3 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 118.8 | 153.8 | -175.5 | -31.5 | 0 | 0 | 0 | 108 | Q370 | H368-Q370 PolarHBondContact O-N 3.35Š|
| 369 | P | 34.9 | Very low | 33.4 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65 | 126.2 | 173.4 | 26.5 | -32.8 | 0 | 0 | 0 | 109 | Q367 | Q367-P369 WeakPolarHBondContact O-CD 3.38Š|
| 370 | Q | 32 | Very low | 33.4 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 131.1 | 170.5 | -71.8 | -167.8 | -13.1 | 0 | 0 | 109.3 | H368 | H368-Q370 PolarHBondContact O-N 3.35Š|
| 371 | A | 29.6 | Very low | 33.6 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 130.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 372 | R | 32.2 | Very low | 33.2 | Very low | 229 Ų | 229 | 147 Ų | 147 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -114.5 | 124.7 | 164.1 | -95.8 | -168.1 | 166.7 | -153.1 | -4 | 108.4 | ||||
| 373 | D | 31.6 | Very low | 33 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -68.5 | 128.4 | 172.4 | -49.7 | -85.3 | 0 | 0 | 0 | 109.8 | ||||
| 374 | S | 34.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | -172.1 | 104.4 | 160.8 | -81.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 375 | S | 33.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -151 | 95.8 | 158.2 | 59.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 376 | G | 34.3 | Very low | 33.3 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -138.7 | 102.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 377 | T | 35.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -156.8 | 153 | 162.4 | 38 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 378 | D | 29.6 | Very low | 33.1 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | cis | -142.3 | 175.9 | 3.9 | -136.2 | -57.4 | 0 | 0 | 0 | 111.6 | ||||
| 379 | Q | 34.3 | Very low | 33 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | -122.4 | 132.7 | -178.1 | -64.6 | 176.1 | 66.4 | 0 | 0 | 112.5 | ||||
| 380 | H | 28.8 | Very low | 32.8 | Very low | 177 Ų | 177 | 144 Ų | 144 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | -161 | 138.9 | 132.5 | -144.8 | -95.2 | 0 | 0 | 0 | 112.4 | ||||
| 381 | P | 39.8 | Very low | 32.6 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 59% | 0.591 | 80% | 0.804 | S | S | * | * | trans | -87.4 | 163 | 164.8 | 36 | -34.3 | 0 | 0 | 0 | 111.7 | ||||
| 382 | D | 25.6 | Very low | 32.6 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -129.8 | 164.7 | 162 | -144.6 | -34.1 | 0 | 0 | 0 | 109.6 | ||||
| 383 | S | 32 | Very low | 32.4 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -154.2 | 170.2 | -160.1 | -77.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 384 | A | 33.5 | Very low | 32.3 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 79.3 | 168.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 385 | P | 44.1 | Very low | 32.6 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | -137.7 | 167 | -57.1 | 37.5 | -25.1 | 0 | 0 | 0 | 113.4 | |||||
| 386 | R | 31.4 | Very low | 32.3 | Very low | 250 Ų | 250 | 139.6 Ų | 139.6 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -143.3 | 145.3 | 143.3 | -79.3 | -149.1 | 160.9 | -153.2 | -10.1 | 112.6 | ||||
| 387 | Q | 34.2 | Very low | 32.6 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -125.5 | 156.6 | 172.6 | -68.4 | -179.9 | -13.3 | 0 | 0 | 109.2 | ||||
| 388 | G | 29.2 | Very low | 33 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 175.5 | 118.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 389 | L | 32.5 | Very low | 33 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -121.3 | 144.4 | -168.9 | -83.8 | 164.8 | 0 | 0 | 0 | 112.5 | ||||
| 390 | Q | 30.3 | Very low | 33.2 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -178.4 | 123.3 | 130.2 | -93.4 | 149.7 | 110.7 | 0 | 0 | 107.5 | ||||
| 391 | V | 29.6 | Very low | 33.3 | Very low | 113 Ų | 113 | 138 Ų | 138 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | 80.1 | 108.1 | 50.5 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 392 | L | 28.4 | Very low | 32.8 | Very low | 146 Ų | 146 | 137 Ų | 137 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | -157.7 | 143.3 | 75.3 | -92.5 | 174.9 | 0 | 0 | 0 | 115.6 | |||||
| 393 | T | 28.2 | Very low | 33.4 | Very low | 102 Ų | 102 | 135 Ų | 135 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | trans | 33.8 | 152.3 | 141.2 | 54.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 394 | H | 28.8 | Very low | 33.4 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | cis | -169.7 | 178.4 | 8 | -107.8 | -46.2 | 0 | 0 | 0 | 108 | ||||
| 395 | P | 41.2 | Very low | 33.3 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | cis | -131.1 | -166.6 | -29.5 | 39.8 | -20.5 | 0 | 0 | 0 | 114.2 | ||||
| 396 | E | 26.6 | Very low | 32.9 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -86.8 | -175.3 | 179.4 | -127.6 | -142.7 | 121 | 0 | 0 | 113.5 | ||||
| 397 | P | 41.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -135.8 | -150.6 | 10.3 | 42.5 | -17.8 | 0 | 0 | 0 | 115.1 | ||||
| 398 | P | 42.9 | Very low | 33.1 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | -136.3 | 155.8 | -98.7 | 41.2 | -21.5 | 0 | 0 | 0 | 120.2 | |||||
| 399 | L | 30.1 | Very low | 33.6 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | 65.5 | 167.4 | 150.5 | -69.8 | 175.1 | 0 | 0 | 0 | 119.7 | ||||
| 400 | P | 39 | Very low | 33.8 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | cis | -123.1 | 176.3 | 2.4 | 42.2 | -28.5 | 0 | 0 | 0 | 116.3 | ||||
| 401 | Q | 30.5 | Very low | 33.9 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | -95.2 | 155.3 | 173.3 | -64.6 | -177.9 | -6.5 | 0 | 0 | 112.9 | ||||
| 402 | G | 29.4 | Very low | 34.3 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -129.5 | 133.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 403 | P | 37.1 | Very low | 35 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -90.9 | 143.6 | -168.4 | 34.1 | -35.5 | 0 | 0 | 0 | 115.1 | ||||
| 404 | Y | 32.5 | Very low | 35.6 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -55.6 | 138.8 | 156.4 | 160.9 | -85.4 | 0 | 0 | 0 | 111.1 | E406 | Y404-E406 HydrophobicContact CE1-CG 3.9Å; Y404-E406 VanDerWaalsContact OH-CD 3.3Å; Y404-E406 VanDerWaalsContact OH-CG 3.23Å; Y404-E406 WeakPolarHBondContact OH-CG 3.34Å; Y404-E406 PolarHBondContact OH-OE2 2.81Å | ||
| 405 | T | 32.3 | Very low | 36.1 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | trans | -140 | 129.2 | 165.2 | 44.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 406 | E | 34.5 | Very low | 36.3 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | trans | -72.6 | 144.6 | 169.3 | -77.1 | 166.3 | 86.8 | 0 | 0 | 111.5 | Y404 V408 | Y404-E406 HydrophobicContact CE1-CG 3.9Å; Y404-E406 VanDerWaalsContact OH-CD 3.3Å; Y404-E406 VanDerWaalsContact OH-CG 3.23Å; Y404-E406 WeakPolarHBondContact OH-CG 3.34Å; Y404-E406 PolarHBondContact OH-OE2 2.81Å; E406-V408 VanDerWaalsContact C-N 3.34Å; E406-V408 PolarHBondContact O-N 2.95Å | ||
| 407 | G | 32.4 | Very low | 36.8 | Very low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | -70.6 | 84.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F409 | G407-F409 PolarHBondContact O-N 3.27Š| ||
| 408 | V | 38 | Very low | 36.4 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -56.6 | 126.6 | -177.7 | 172 | 0 | 0 | 0 | 0 | 112.5 | E406 | E406-V408 VanDerWaalsContact C-N 3.34Å; E406-V408 PolarHBondContact O-N 2.95Å | ||
| 409 | F | 38.8 | Very low | 36.2 | Very low | 206 Ų | 206 | 137.5 Ų | 137.5 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -64.6 | 137.6 | 171.8 | -77.6 | -98.2 | 0 | 0 | 0 | 112.4 | G407 | G407-F409 PolarHBondContact O-N 3.27Š|
| 410 | G | 37.4 | Very low | 36.9 | Very low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 99.5 | 67.6 | 155 | 0 | 0 | 0 | 0 | 0 | 116.8 | R412 | G410-R412 PolarHBondContact O-N 3.21Š| ||
| 411 | R | 33.2 | Very low | 37.1 | Very low | 239 Ų | 239 | 134 Ų | 134 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -68 | 93.4 | 168.1 | -159.5 | 178 | -155.5 | -97.6 | 4.7 | 110.8 | ||||
| 412 | R | 37.6 | Very low | 37.6 | Very low | 225 Ų | 225 | 128.4 Ų | 128.4 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | trans | -64.3 | 144.5 | 165.3 | -68 | -165.7 | -166.5 | -119.2 | 11.1 | 109.5 | G410 | G410-R412 PolarHBondContact O-N 3.21Š| ||
| 413 | V | 43.2 | Very low | 38.6 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | trans | -103.5 | 111.6 | 160.9 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | V415 | V413-V415 PolarHBondContact O-N 3.48Š| ||
| 414 | P | 39.9 | Very low | 38.9 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 118.3 | 172.1 | -12.2 | 28.7 | 0 | 0 | 0 | 109.7 | ||
| 415 | V | 39.5 | Very low | 40.2 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -94 | 118.6 | 163.2 | 178.9 | 0 | 0 | 0 | 0 | 107.2 | V413 | V413-V415 PolarHBondContact O-N 3.48Š|
| 416 | P | 46.4 | Very low | 42.3 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 134.7 | 179.7 | 30.6 | -33.1 | 0 | 0 | 0 | 111.3 | ||
| 417 | G | 36.5 | Very low | 44.8 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | 94.6 | 86.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 418 | S | 33.3 | Very low | 47.6 | Very low | 130 Ų | 130 | 119.7 Ų | 119.7 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -161 | 150.1 | 135.3 | -85.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 419 | T | 38.8 | Very low | 50 | Low | 145 Ų | 145 | 116.4 Ų | 116.4 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | trans | -83.4 | 165.2 | -170 | 42 | 0 | 0 | 0 | 0 | 114 | ||||
| 420 | S | 43.9 | Very low | 52.4 | Low | 128 Ų | 128 | 106.6 Ų | 106.6 | 90% | 0.895 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -52.7 | 145.2 | -179 | -173.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 421 | G | 44.6 | Very low | 54.7 | Low | 79 Ų | 79 | 107.3 Ų | 107.3 | 81% | 0.814 | 68% | 0.681 | S | S | * | * | trans | 122.8 | 55.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 422 | G | 39.9 | Very low | 57 | Low | 74 Ų | 74 | 103.8 Ų | 103.8 | 76% | 0.763 | 67% | 0.669 | S | S | * | * | trans | -159.8 | 127 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G424 | G422-G424 PolarHBondContact O-N 2.74Š| ||
| 423 | G | 51.4 | Low | 59.2 | Low | 87 Ų | 87 | 95.1 Ų | 95.1 | 90% | 0.897 | 64% | 0.642 | S | S | * | * | trans | -75 | 60.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | S425 | G423-S425 PolarHBondContact O-N 3.25Š| ||
| 424 | G | 42.6 | Very low | 60.8 | Low | 66 Ų | 66 | 96.1 Ų | 96.1 | 68% | 0.68 | 64% | 0.639 | S | S | * | * | trans | -60.3 | 122.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G422 E426 | G422-G424 PolarHBondContact O-N 2.74Å; G424-E426 PolarHBondContact O-N 3.41Å; G424-E426 VanDerWaalsContact O-N 3.08Å | ||
| 425 | S | 59.2 | Low | 62.9 | Low | 85 Ų | 85 | 96.3 Ų | 96.3 | 59% | 0.594 | 63% | 0.628 | S | S | * | * | trans | -75.4 | 94.5 | 171.5 | -68 | 0 | 0 | 0 | 0 | 109.5 | G423 I427 | G423-S425 PolarHBondContact O-N 3.25Å; S425-I427 VanDerWaalsContact O-CG1 3.3Å; S425-I427 WeakPolarHBondContact O-CG1 3.49Å; S425-I427 PolarHBondContact O-N 3.01Å; S425-I427 VanDerWaalsContact O-N 3.14Å | ||
| 426 | E | 77.7 | Confident | 65.1 | Low | 140 Ų | 140 | 97.7 Ų | 97.7 | 65% | 0.654 | 62% | 0.624 | S | S | * | * | trans | -52 | 120.6 | 174.7 | -70.3 | -171.4 | 124.4 | 0 | 0 | 110.6 | G424 F428 | G424-E426 PolarHBondContact O-N 3.41Å; G424-E426 VanDerWaalsContact O-N 3.08Å; E426-F428 HydrophobicContact CB-CD2 4.34Å; E426-F428 HydrophobicContact CB-CE1 4.23Å; E426-F428 HydrophobicContact CB-CE2 3.56Å; E426-F428 HydrophobicContact CB-CZ 3.5Å; E426-F428 HydrophobicContact CG-CZ 4.38Å; E426-F428 VanDerWaalsContact O-CD2 3.23Å; E426-F428 WeakPolarHBondContact O-CD2 3.34Å; E426-F428 VanDerWaalsContact O-CE2 3.3Å; E426-F428 WeakPolarHBondContact O-CE2 3.39Å; E426-F428 PolarHBondContact O-N 3.39Å; E426-F428 VanDerWaalsContact OE2-CZ 3.3Å; E426-F428 WeakPolarHBondContact OE2-CZ 3.25Å | ||
| 427 | I | 86.4 | Confident | 67.1 | Low | 107 Ų | 107 | 94 Ų | 94 | 55% | 0.549 | 60% | 0.595 | S | S | . | * | trans | -96.6 | 92.7 | -177.7 | -53.5 | -174.3 | 0 | 0 | 0 | 108.2 | S425 V429 K436 | S425-I427 VanDerWaalsContact O-CG1 3.3Å; S425-I427 WeakPolarHBondContact O-CG1 3.49Å; S425-I427 PolarHBondContact O-N 3.01Å; S425-I427 VanDerWaalsContact O-N 3.14Å; I427-V429 PolarHBondContact O-N 3.16Å; I427-K436 HydrophobicContact CG2-CB 3.72Å; I427-K436 HydrophobicContact CG2-CD 4.13Å; I427-K436 HydrophobicContact CG2-CG 4.15Å | ||
| 428 | F | 90.8 | Very high | 69.6 | Low | 46 Ų | 46 | 100.5 Ų | 100.5 | 20% | 0.202 | 60% | 0.597 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.8 | 121.7 | 179.1 | -57.2 | -83.5 | 0 | 0 | 0 | 109.9 | E426 F437 Q440 L443 | E426-F428 HydrophobicContact CB-CD2 4.34Å; E426-F428 HydrophobicContact CB-CE1 4.23Å; E426-F428 HydrophobicContact CB-CE2 3.56Å; E426-F428 HydrophobicContact CB-CZ 3.5Å; E426-F428 HydrophobicContact CG-CZ 4.38Å; E426-F428 VanDerWaalsContact O-CD2 3.23Å; E426-F428 WeakPolarHBondContact O-CD2 3.34Å; E426-F428 VanDerWaalsContact O-CE2 3.3Å; E426-F428 WeakPolarHBondContact O-CE2 3.39Å; E426-F428 PolarHBondContact O-N 3.39Å; E426-F428 VanDerWaalsContact OE2-CZ 3.3Å; E426-F428 WeakPolarHBondContact OE2-CZ 3.25Å; F428-F437 HydrophobicContact CB-CB 4.45Å; F428-F437 PolarHBondContact N-O 3.5Å; F428-F437 PolarHBondContact O-N 3.36Å; F428-Q440 HydrophobicContact CD1-CB 4Å; F428-Q440 HydrophobicContact CD1-CG 4.35Å; F428-Q440 HydrophobicContact CD2-CB 4.24Å; F428-Q440 VanDerWaalsContact CD2-N 3.29Å; F428-Q440 HydrophobicContact CE1-CB 3.8Å; F428-Q440 HydrophobicContact CE1-CG 4.25Å; F428-Q440 HydrophobicContact CE2-CB 4.05Å; F428-Q440 HydrophobicContact CG-CB 4.21Å; F428-Q440 HydrophobicContact CZ-CB 3.82Å; F428-L443 HydrophobicContact CB-CB 4.06Å; F428-L443 HydrophobicContact CB-CD2 3.77Å |
| 429 | V | 88.1 | Confident | 72.2 | Confident | 65 Ų | 65 | 101.9 Ų | 101.9 | 39% | 0.394 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 133.1 | -176.2 | -172.7 | 0 | 0 | 0 | 0 | 110 | I427 H434 K435 K436 | I427-V429 PolarHBondContact O-N 3.16Å; V429-H434 HydrophobicContact CG1-CB 4.26Å; V429-K435 WeakPolarHBondContact CA-O 3.04Å; V429-K436 HydrophobicContact CG2-CG 4.27Å |
| 430 | C | 90.8 | Very high | 74.6 | Confident | 0 Ų | 0 | 99 Ų | 99 | 0% | 0 | 56% | 0.559 | C | S | . | * | trans | -70.8 | 125.9 | 172.9 | -177.3 | 0 | 0 | 0 | 0 | 111 | Y432 H434 K435 F437 L443 H446 | C430-Y432 VanDerWaalsContact C-N 3.27Å; C430-Y432 PolarHBondContact O-N 3.36Å; C430-H434 WeakPolarHBondContact O-CA 3.18Å; C430-H434 PolarHBondContact O-N 2.75Å; C430-K435 HydrophobicContact CB-CB 4.46Å; C430-K435 PolarHBondContact N-O 3.08Å; C430-F437 HydrophobicContact CB-CE2 4.34Å; C430-L443 HydrophobicContact CB-CD1 3.69Å; C430-H446 PolarHBondContact SG-NE2 3.49Å | ||
| 431 | P | 84.9 | Confident | 76.8 | Confident | 85 Ų | 85 | 95.6 Ų | 95.6 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -26.4 | 178.3 | 28.3 | -34.2 | 0 | 0 | 0 | 112.8 | L447 | P431-L447 HydrophobicContact CG-CD2 4.46Š|
| 432 | Y | 80.9 | Confident | 78.9 | Confident | 165 Ų | 165 | 98.1 Ų | 98.1 | 65% | 0.647 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -16.4 | -175 | -58.6 | -67 | 0 | 0 | 0 | 115.1 | C430 L447 H450 | C430-Y432 VanDerWaalsContact C-N 3.27Å; C430-Y432 PolarHBondContact O-N 3.36Å; Y432-L447 HydrophobicContact CD2-CD2 4.09Å; Y432-L447 HydrophobicContact CE2-CD2 4.27Å; Y432-H450 VanDerWaalsContact CB-CE1 3.41Å; Y432-H450 WeakPolarHBondContact CB-CE1 3.28Å; Y432-H450 HydrophobicContact CD2-CB 4.29Å |
| 433 | C | 85.3 | Confident | 81.3 | Confident | 43 Ų | 43 | 95.1 Ų | 95.1 | 29% | 0.291 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -157.1 | 18.3 | 179.1 | 65.5 | 0 | 0 | 0 | 0 | 114.9 | K435 H446 | C433-K435 PolarHBondContact O-N 3.46Å; C433-K435 VanDerWaalsContact SG-CE 3.55Å; C433-H446 VanDerWaalsContact SG-CE1 3.53Å; C433-H446 PolarHBondContact SG-NE2 2.96Å |
| 434 | H | 76.5 | Confident | 83.2 | Confident | 137 Ų | 137 | 98.6 Ų | 98.6 | 63% | 0.634 | 48% | 0.477 | S | S | * | . | trans | 52.6 | 15.4 | 173 | -53 | -69 | 0 | 0 | 0 | 117.4 | V429 C430 K436 | V429-H434 HydrophobicContact CG1-CB 4.26Å; C430-H434 WeakPolarHBondContact O-CA 3.18Å; C430-H434 PolarHBondContact O-N 2.75Å; H434-K436 PolarHBondContact O-N 2.95Å | ||
| 435 | K | 83.3 | Confident | 85.4 | Confident | 118 Ų | 118 | 103.3 Ų | 103.3 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | trans | -62.4 | 131.2 | 173.5 | -65.2 | -176.5 | -160.3 | -53.7 | 0 | 110.2 | V429 C430 C433 F437 | V429-K435 WeakPolarHBondContact CA-O 3.04Å; C430-K435 HydrophobicContact CB-CB 4.46Å; C430-K435 PolarHBondContact N-O 3.08Å; C433-K435 PolarHBondContact O-N 3.46Å; C433-K435 VanDerWaalsContact SG-CE 3.55Å; K435-F437 HydrophobicContact CB-CE2 3.56Å; K435-F437 HydrophobicContact CB-CZ 3.84Å; K435-F437 VanDerWaalsContact O-CD2 3.3Å; K435-F437 WeakPolarHBondContact O-CD2 3.41Å; K435-F437 VanDerWaalsContact O-CE2 3.29Å; K435-F437 WeakPolarHBondContact O-CE2 3.42Å | ||
| 436 | K | 85.1 | Confident | 86.8 | Confident | 160 Ų | 160 | 100.5 Ų | 100.5 | 70% | 0.696 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.4 | -175.3 | -60.6 | -171.5 | 178.4 | -176.6 | 0 | 111.1 | I427 V429 H434 | I427-K436 HydrophobicContact CG2-CB 3.72Å; I427-K436 HydrophobicContact CG2-CD 4.13Å; I427-K436 HydrophobicContact CG2-CG 4.15Å; V429-K436 HydrophobicContact CG2-CG 4.27Å; H434-K436 PolarHBondContact O-N 2.95Å |
| 437 | F | 90.1 | Very high | 87.3 | Confident | 42 Ų | 42 | 95.8 Ų | 95.8 | 18% | 0.184 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.1 | -176.7 | -61 | -90.3 | 0 | 0 | 0 | 111.3 | F428 C430 K435 R439 L443 H446 | F428-F437 HydrophobicContact CB-CB 4.45Å; F428-F437 PolarHBondContact N-O 3.5Å; F428-F437 PolarHBondContact O-N 3.36Å; C430-F437 HydrophobicContact CB-CE2 4.34Å; K435-F437 HydrophobicContact CB-CE2 3.56Å; K435-F437 HydrophobicContact CB-CZ 3.84Å; K435-F437 VanDerWaalsContact O-CD2 3.3Å; K435-F437 WeakPolarHBondContact O-CD2 3.41Å; K435-F437 VanDerWaalsContact O-CE2 3.29Å; K435-F437 WeakPolarHBondContact O-CE2 3.42Å; F437-R439 VanDerWaalsContact C-N 3.28Å; F437-R439 PolarHBondContact O-N 2.78Å; F437-L443 HydrophobicContact CB-CB 4.31Å; F437-L443 HydrophobicContact CD2-CB 4.02Å; F437-L443 HydrophobicContact CD2-CD1 3.89Å; F437-L443 HydrophobicContact CE2-CD1 3.95Å; F437-L443 HydrophobicContact CG-CB 4.25Å; F437-H446 HydrophobicContact CE1-CB 4.17Å; F437-H446 HydrophobicContact CE2-CB 4.32Å; F437-H446 AromaticContact CE2-CD2 3.33Å; F437-H446 WeakPolarHBondContact CE2-CD2 3.46Å; F437-H446 HydrophobicContact CZ-CB 3.7Å; F437-H446 AromaticContact CZ-CD2 3.26Å; F437-H446 WeakPolarHBondContact CZ-CD2 3.09Å; F437-H446 AromaticContact CZ-CG 3.56Å |
| 438 | R | 87.7 | Confident | 87.2 | Confident | 209 Ų | 209 | 93.4 Ų | 93.4 | 79% | 0.789 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -79.9 | 0.7 | 177.5 | -69.4 | -171.7 | 176.7 | -171.8 | -2.6 | 114.9 | ||
| 439 | R | 89.3 | Confident | 86.7 | Confident | 159 Ų | 159 | 95.6 Ų | 95.6 | 60% | 0.6 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -151.3 | 133.4 | 179.3 | -59.3 | -172.3 | -176.4 | -176.5 | -1.7 | 110.4 | F437 A441 Y442 L443 | F437-R439 VanDerWaalsContact C-N 3.28Å; F437-R439 PolarHBondContact O-N 2.78Å; R439-A441 PolarHBondContact O-N 2.95Å; R439-Y442 HydrophobicContact CB-CD2 3.78Å; R439-Y442 HydrophobicContact CB-CE2 4.11Å; R439-Y442 HydrophobicContact CB-CG 4.5Å; R439-Y442 HydrophobicContact CG-CD2 4.19Å; R439-Y442 HydrophobicContact CG-CE2 4.08Å; R439-Y442 PolarHBondContact O-N 2.91Å; R439-L443 PolarHBondContact O-N 2.85Å |
| 440 | Q | 88.1 | Confident | 86.3 | Confident | 84 Ų | 84 | 95.5 Ų | 95.5 | 39% | 0.393 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.1 | -32.9 | 179.8 | -175.6 | 64.1 | -38.7 | 0 | 0 | 113.2 | F428 Y442 L443 R444 | F428-Q440 HydrophobicContact CD1-CB 4Å; F428-Q440 HydrophobicContact CD1-CG 4.35Å; F428-Q440 HydrophobicContact CD2-CB 4.24Å; F428-Q440 VanDerWaalsContact CD2-N 3.29Å; F428-Q440 HydrophobicContact CE1-CB 3.8Å; F428-Q440 HydrophobicContact CE1-CG 4.25Å; F428-Q440 HydrophobicContact CE2-CB 4.05Å; F428-Q440 HydrophobicContact CG-CB 4.21Å; F428-Q440 HydrophobicContact CZ-CB 3.82Å; Q440-Y442 VanDerWaalsContact C-N 3.29Å; Q440-Y442 PolarHBondContact O-N 2.93Å; Q440-L443 PolarHBondContact O-N 2.97Å; Q440-R444 WeakPolarHBondContact O-CG 3.44Å; Q440-R444 PolarHBondContact O-N 2.83Å |
| 441 | A | 91.3 | Very high | 85.2 | Confident | 56 Ų | 56 | 100.6 Ų | 100.6 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.2 | -34.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R439 K445 | R439-A441 PolarHBondContact O-N 2.95Å; A441-K445 PolarHBondContact O-N 3.24Å; A441-K445 VanDerWaalsContact O-N 3.15Å |
| 442 | Y | 87.4 | Confident | 84 | Confident | 132 Ų | 132 | 99.7 Ų | 99.7 | 52% | 0.518 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -79 | -32.6 | 176.4 | -59.5 | -42.6 | 0 | 0 | 0 | 112.2 | R439 Q440 H446 | R439-Y442 HydrophobicContact CB-CD2 3.78Å; R439-Y442 HydrophobicContact CB-CE2 4.11Å; R439-Y442 HydrophobicContact CB-CG 4.5Å; R439-Y442 HydrophobicContact CG-CD2 4.19Å; R439-Y442 HydrophobicContact CG-CE2 4.08Å; R439-Y442 PolarHBondContact O-N 2.91Å; Q440-Y442 VanDerWaalsContact C-N 3.29Å; Q440-Y442 PolarHBondContact O-N 2.93Å; Y442-H446 WeakPolarHBondContact O-CB 3.41Å; Y442-H446 PolarHBondContact O-N 3.33Å |
| 443 | L | 91.6 | Very high | 82.7 | Confident | 12 Ų | 12 | 94 Ų | 94 | 6% | 0.063 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.4 | -51.5 | 168.9 | 175.7 | 56.2 | 0 | 0 | 0 | 110.1 | F428 C430 F437 R439 Q440 K445 H446 L447 | F428-L443 HydrophobicContact CB-CB 4.06Å; F428-L443 HydrophobicContact CB-CD2 3.77Å; C430-L443 HydrophobicContact CB-CD1 3.69Å; F437-L443 HydrophobicContact CB-CB 4.31Å; F437-L443 HydrophobicContact CD2-CB 4.02Å; F437-L443 HydrophobicContact CD2-CD1 3.89Å; F437-L443 HydrophobicContact CE2-CD1 3.95Å; F437-L443 HydrophobicContact CG-CB 4.25Å; R439-L443 PolarHBondContact O-N 2.85Å; Q440-L443 PolarHBondContact O-N 2.97Å; L443-K445 PolarHBondContact O-N 3.14Å; L443-H446 CarbonylContact O-C 3.48Å; L443-H446 WeakPolarHBondContact O-CA 3.38Å; L443-H446 WeakPolarHBondContact O-CB 3.48Å; L443-H446 PolarHBondContact O-N 3.33Å; L443-L447 HydrophobicContact CD1-CD1 4.45Å; L443-L447 HydrophobicContact CD1-CD2 3.93Å; L443-L447 HydrophobicContact CD1-CG 3.93Å; L443-L447 HydrophobicContact CG-CD1 4.19Å; L443-L447 HydrophobicContact CG-CG 4.13Å; L443-L447 WeakPolarHBondContact O-CG 3.46Å; L443-L447 PolarHBondContact O-N 3.29Å |
| 444 | R | 89.4 | Confident | 81.1 | Confident | 159 Ų | 159 | 95 Ų | 95 | 60% | 0.6 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -54.1 | -48.4 | 178.4 | -70.6 | -168.7 | -62 | -152.1 | 4.2 | 112.7 | Q440 H446 L447 S448 | Q440-R444 WeakPolarHBondContact O-CG 3.44Å; Q440-R444 PolarHBondContact O-N 2.83Å; R444-H446 PolarHBondContact O-N 2.91Å; R444-H446 VanDerWaalsContact O-N 3.17Å; R444-L447 PolarHBondContact O-N 2.97Å; R444-L447 VanDerWaalsContact O-N 3.12Å; R444-S448 PolarHBondContact O-N 3.45Å; R444-S448 VanDerWaalsContact O-N 3.13Å; R444-S448 PolarHBondContact O-OG 2.84Å |
| 445 | K | 90 | Very high | 79.7 | Confident | 166 Ų | 166 | 93.6 Ų | 93.6 | 72% | 0.722 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59.1 | -29 | 175.9 | -174.9 | 171.2 | -178.4 | 175.4 | 0 | 113.2 | A441 L443 | A441-K445 PolarHBondContact O-N 3.24Å; A441-K445 VanDerWaalsContact O-N 3.15Å; L443-K445 PolarHBondContact O-N 3.14Å |
| 446 | H | 88.2 | Confident | 78 | Confident | 25 Ų | 25 | 98.8 Ų | 98.8 | 12% | 0.116 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -83.6 | -34.4 | 175.3 | 167 | 49.2 | 0 | 0 | 0 | 113.1 | C430 C433 F437 Y442 L443 R444 S448 T449 H450 | C430-H446 PolarHBondContact SG-NE2 3.49Å; C433-H446 VanDerWaalsContact SG-CE1 3.53Å; C433-H446 PolarHBondContact SG-NE2 2.96Å; F437-H446 HydrophobicContact CE1-CB 4.17Å; F437-H446 HydrophobicContact CE2-CB 4.32Å; F437-H446 AromaticContact CE2-CD2 3.33Å; F437-H446 WeakPolarHBondContact CE2-CD2 3.46Å; F437-H446 HydrophobicContact CZ-CB 3.7Å; F437-H446 AromaticContact CZ-CD2 3.26Å; F437-H446 WeakPolarHBondContact CZ-CD2 3.09Å; F437-H446 AromaticContact CZ-CG 3.56Å; Y442-H446 WeakPolarHBondContact O-CB 3.41Å; Y442-H446 PolarHBondContact O-N 3.33Å; L443-H446 CarbonylContact O-C 3.48Å; L443-H446 WeakPolarHBondContact O-CA 3.38Å; L443-H446 WeakPolarHBondContact O-CB 3.48Å; L443-H446 PolarHBondContact O-N 3.33Å; R444-H446 PolarHBondContact O-N 2.91Å; R444-H446 VanDerWaalsContact O-N 3.17Å; H446-S448 PolarHBondContact O-N 3.33Å; H446-T449 PolarHBondContact ND1-OG1 3.28Å; H446-T449 VanDerWaalsContact ND1-OG1 3.15Å; H446-T449 WeakPolarHBondContact O-CA 3.5Å; H446-T449 WeakPolarHBondContact O-CB 3.34Å; H446-T449 PolarHBondContact O-N 2.9Å; H446-T449 PolarHBondContact O-OG1 3.22Å; H446-H450 AromaticContact CE1-CD2 3.79Å; H446-H450 AromaticContact CE1-NE2 3.29Å; H446-H450 PolarHBondContact CE1-NE2 2.86Å; H446-H450 VanDerWaalsContact CE1-NE2 3.29Å; H446-H450 AromaticContact NE2-NE2 3.64Å |
| 447 | L | 87.3 | Confident | 76.2 | Confident | 41 Ų | 41 | 95 Ų | 95 | 22% | 0.215 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -56.9 | -40.6 | 170.8 | -64.9 | 178.9 | 0 | 0 | 0 | 110.5 | P431 Y432 L443 R444 T449 H450 E451 | P431-L447 HydrophobicContact CG-CD2 4.46Å; Y432-L447 HydrophobicContact CD2-CD2 4.09Å; Y432-L447 HydrophobicContact CE2-CD2 4.27Å; L443-L447 HydrophobicContact CD1-CD1 4.45Å; L443-L447 HydrophobicContact CD1-CD2 3.93Å; L443-L447 HydrophobicContact CD1-CG 3.93Å; L443-L447 HydrophobicContact CG-CD1 4.19Å; L443-L447 HydrophobicContact CG-CG 4.13Å; L443-L447 WeakPolarHBondContact O-CG 3.46Å; L443-L447 PolarHBondContact O-N 3.29Å; R444-L447 PolarHBondContact O-N 2.97Å; R444-L447 VanDerWaalsContact O-N 3.12Å; L447-T449 PolarHBondContact O-N 3.09Å; L447-T449 VanDerWaalsContact O-N 3.08Å; L447-H450 WeakPolarHBondContact O-CA 3.36Å; L447-H450 WeakPolarHBondContact O-CB 3.48Å; L447-H450 PolarHBondContact O-N 3.22Å; L447-E451 PolarHBondContact O-N 3.01Å |
| 448 | S | 84.3 | Confident | 73.8 | Confident | 57 Ų | 57 | 99.1 Ų | 99.1 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -8.5 | 174.2 | -51.3 | 0 | 0 | 0 | 0 | 115.6 | R444 H446 E451 A452 | R444-S448 PolarHBondContact O-N 3.45Å; R444-S448 VanDerWaalsContact O-N 3.13Å; R444-S448 PolarHBondContact O-OG 2.84Å; H446-S448 PolarHBondContact O-N 3.33Å; S448-E451 WeakPolarHBondContact CA-OE2 3.24Å; S448-E451 VanDerWaalsContact CB-OE2 3.24Å; S448-E451 WeakPolarHBondContact CB-OE2 3.31Å; S448-E451 PolarHBondContact OG-OE2 3.12Å; S448-A452 WeakPolarHBondContact O-CB 3.41Å; S448-A452 PolarHBondContact O-N 3.09Å |
| 449 | T | 80.8 | Confident | 71.2 | Confident | 92 Ų | 92 | 93.3 Ų | 93.3 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -82.2 | -19.7 | 166.1 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | H446 L447 | H446-T449 PolarHBondContact ND1-OG1 3.28Å; H446-T449 VanDerWaalsContact ND1-OG1 3.15Å; H446-T449 WeakPolarHBondContact O-CA 3.5Å; H446-T449 WeakPolarHBondContact O-CB 3.34Å; H446-T449 PolarHBondContact O-N 2.9Å; H446-T449 PolarHBondContact O-OG1 3.22Å; L447-T449 PolarHBondContact O-N 3.09Å; L447-T449 VanDerWaalsContact O-N 3.08Å |
| 450 | H | 80.2 | Confident | 69.3 | Low | 63 Ų | 63 | 92.2 Ų | 92.2 | 29% | 0.292 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -81.4 | -43.8 | 165.3 | -65.5 | -90.7 | 0 | 0 | 0 | 110.4 | Y432 H446 L447 A452 G453 S454 | Y432-H450 VanDerWaalsContact CB-CE1 3.41Å; Y432-H450 WeakPolarHBondContact CB-CE1 3.28Å; Y432-H450 HydrophobicContact CD2-CB 4.29Å; H446-H450 AromaticContact CE1-CD2 3.79Å; H446-H450 AromaticContact CE1-NE2 3.29Å; H446-H450 PolarHBondContact CE1-NE2 2.86Å; H446-H450 VanDerWaalsContact CE1-NE2 3.29Å; H446-H450 AromaticContact NE2-NE2 3.64Å; L447-H450 WeakPolarHBondContact O-CA 3.36Å; L447-H450 WeakPolarHBondContact O-CB 3.48Å; L447-H450 PolarHBondContact O-N 3.22Å; H450-A452 PolarHBondContact O-N 3.48Å; H450-G453 PolarHBondContact O-N 3.17Å; H450-G453 VanDerWaalsContact O-N 3.08Å; H450-S454 PolarHBondContact O-N 3.39Å |
| 451 | E | 67.8 | Low | 67 | Low | 108 Ų | 108 | 91.2 Ų | 91.2 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 178.1 | -59.1 | 164.5 | 157.6 | 0 | 0 | 111.8 | L447 S448 G453 S454 V455 | L447-E451 PolarHBondContact O-N 3.01Å; S448-E451 WeakPolarHBondContact CA-OE2 3.24Å; S448-E451 VanDerWaalsContact CB-OE2 3.24Å; S448-E451 WeakPolarHBondContact CB-OE2 3.31Å; S448-E451 PolarHBondContact OG-OE2 3.12Å; E451-G453 PolarHBondContact O-N 3.16Å; E451-S454 PolarHBondContact O-N 3.24Å; E451-V455 WeakPolarHBondContact O-CG2 3.41Å; E451-V455 PolarHBondContact O-N 3.29Å |
| 452 | A | 59.3 | Low | 64.2 | Low | 65 Ų | 65 | 99.1 Ų | 99.1 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.8 | -17.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S448 H450 | S448-A452 WeakPolarHBondContact O-CB 3.41Å; S448-A452 PolarHBondContact O-N 3.09Å; H450-A452 PolarHBondContact O-N 3.48Å |
| 453 | G | 54.8 | Low | 61.9 | Low | 45 Ų | 45 | 96.4 Ų | 96.4 | 46% | 0.464 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -80 | -47.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H450 E451 V455 R456 | H450-G453 PolarHBondContact O-N 3.17Å; H450-G453 VanDerWaalsContact O-N 3.08Å; E451-G453 PolarHBondContact O-N 3.16Å; G453-V455 PolarHBondContact O-N 3.15Å; G453-R456 PolarHBondContact O-N 3.25Å |
| 454 | S | 50.9 | Low | 59.5 | Low | 64 Ų | 64 | 100.9 Ų | 100.9 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.1 | -41.1 | -178.6 | -167.3 | 0 | 0 | 0 | 0 | 113.7 | H450 E451 R456 A457 L458 | H450-S454 PolarHBondContact O-N 3.39Å; E451-S454 PolarHBondContact O-N 3.24Å; S454-R456 PolarHBondContact O-N 3.29Å; S454-R456 VanDerWaalsContact O-N 3.15Å; S454-A457 WeakPolarHBondContact O-CA 3.34Å; S454-A457 WeakPolarHBondContact O-CB 3.14Å; S454-A457 PolarHBondContact O-N 2.78Å; S454-L458 PolarHBondContact O-N 2.85Å |
| 455 | V | 47.4 | Very low | 57.5 | Low | 109 Ų | 109 | 100.6 Ų | 100.6 | 66% | 0.661 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -20 | -180 | 173.1 | 0 | 0 | 0 | 0 | 112.6 | E451 G453 A457 | E451-V455 WeakPolarHBondContact O-CG2 3.41Å; E451-V455 PolarHBondContact O-N 3.29Å; G453-V455 PolarHBondContact O-N 3.15Å; V455-A457 VanDerWaalsContact C-N 3.35Å |
| 456 | R | 46.3 | Very low | 55.4 | Low | 227 Ų | 227 | 104.1 Ų | 104.1 | 86% | 0.857 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -12.4 | 170.6 | -68.8 | -170.6 | 176 | -154.6 | -2.3 | 114.1 | G453 S454 | G453-R456 PolarHBondContact O-N 3.25Å; S454-R456 PolarHBondContact O-N 3.29Å; S454-R456 VanDerWaalsContact O-N 3.15Å |
| 457 | A | 47.2 | Very low | 53.7 | Low | 79 Ų | 79 | 107 Ų | 107 | 65% | 0.653 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -4.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S454 V455 | S454-A457 WeakPolarHBondContact O-CA 3.34Å; S454-A457 WeakPolarHBondContact O-CB 3.14Å; S454-A457 PolarHBondContact O-N 2.78Å; V455-A457 VanDerWaalsContact C-N 3.35Å |
| 458 | L | 40.8 | Very low | 52 | Low | 130 Ų | 130 | 108.7 Ų | 108.7 | 68% | 0.681 | 66% | 0.663 | S | S | * | * | trans | -108.2 | 47 | -178.4 | -73.4 | 168 | 0 | 0 | 0 | 112.5 | S454 P460 | S454-L458 PolarHBondContact O-N 2.85Å; L458-P460 WeakPolarHBondContact O-CD 3.49Å | ||
| 459 | A | 33.8 | Very low | 50.6 | Low | 87 Ų | 87 | 111.4 Ų | 111.4 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | trans | -93.9 | 107.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | G461 | A459-G461 PolarHBondContact O-N 3.24Š| ||
| 460 | P | 47.6 | Very low | 49.5 | Very low | 135 Ų | 135 | 114.4 Ų | 114.4 | 88% | 0.877 | 69% | 0.691 | S | S | * | * | trans | -72.3 | 122.7 | -175.6 | -17.4 | 32.2 | 0 | 0 | 0 | 111.5 | L458 | L458-P460 WeakPolarHBondContact O-CD 3.49Š| ||
| 461 | G | 41.6 | Very low | 49 | Very low | 63 Ų | 63 | 113.2 Ų | 113.2 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | trans | -173.5 | 95.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A459 | A459-G461 PolarHBondContact O-N 3.24Š| ||
| 462 | F | 31.7 | Very low | 49.5 | Very low | 223 Ų | 223 | 112 Ų | 112 | 98% | 0.978 | 69% | 0.685 | S | S | * | * | trans | 61.6 | 139.8 | -172.7 | -79.2 | -104.5 | 0 | 0 | 0 | 115.3 | ||||
| 463 | G | 39.9 | Very low | 50.7 | Low | 75 Ų | 75 | 110.9 Ų | 110.9 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | trans | -136 | 152.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 464 | S | 39.4 | Very low | 52 | Low | 106 Ų | 106 | 108.8 Ų | 108.8 | 74% | 0.741 | 66% | 0.655 | S | S | * | * | trans | -168 | 122.8 | 161 | -166.9 | 0 | 0 | 0 | 0 | 111.3 | R466 | S464-R466 PolarHBondContact O-N 3.37Š| ||
| 465 | E | 47.6 | Very low | 53.2 | Low | 152 Ų | 152 | 111 Ų | 111 | 71% | 0.71 | 67% | 0.668 | S | S | * | * | trans | 36.4 | 80 | 134.1 | -50.9 | -46 | 100.6 | 0 | 0 | 119.9 | ||||
| 466 | R | 47.6 | Very low | 54.5 | Low | 240 Ų | 240 | 110.8 Ų | 110.8 | 91% | 0.906 | 66% | 0.662 | S | S | * | * | 179.3 | 148.7 | 113 | -100.2 | 158.6 | -75 | -161.5 | -5 | 114 | S464 | S464-R466 PolarHBondContact O-N 3.37Š| |||
| 467 | G | 51.3 | Low | 56 | Low | 86 Ų | 86 | 103 Ų | 103 | 89% | 0.887 | 64% | 0.642 | S | S | * | * | trans | -78.9 | 120.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 468 | A | 52.2 | Low | 57.2 | Low | 76 Ų | 76 | 101.4 Ų | 101.4 | 63% | 0.628 | 63% | 0.633 | S | S | * | * | trans | -140.9 | 146.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | L470 | A468-L470 PolarHBondContact O-N 2.86Å; A468-L470 VanDerWaalsContact O-N 3.17Å | ||
| 469 | P | 54.6 | Low | 58.9 | Low | 114 Ų | 114 | 96.9 Ų | 96.9 | 74% | 0.74 | 62% | 0.615 | S | S | * | * | trans | -66.7 | 118 | -179.6 | 26.8 | -33.3 | 0 | 0 | 0 | 110.3 | A471 | P469-A471 PolarHBondContact O-N 3.26Š| ||
| 470 | L | 58.4 | Low | 60.9 | Low | 155 Ų | 155 | 98.9 Ų | 98.9 | 81% | 0.812 | 61% | 0.609 | S | S | * | * | trans | -73.8 | 50.7 | 175.5 | -63 | 176 | 0 | 0 | 0 | 111.8 | A468 | A468-L470 PolarHBondContact O-N 2.86Å; A468-L470 VanDerWaalsContact O-N 3.17Å | ||
| 471 | A | 70 | Confident | 62.3 | Low | 38 Ų | 38 | 94.3 Ų | 94.3 | 31% | 0.314 | 58% | 0.575 | S | S | . | * | trans | -131.9 | 99.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P469 A473 H480 F481 | P469-A471 PolarHBondContact O-N 3.26Å; A471-A473 PolarHBondContact O-N 3.46Å; A471-H480 HydrophobicContact CB-CB 4.28Å; A471-F481 CarbonylContact C-O 3.56Å; A471-F481 WeakPolarHBondContact CA-O 3.46Å | ||
| 472 | F | 77.3 | Confident | 64 | Low | 82 Ų | 82 | 95.7 Ų | 95.7 | 36% | 0.36 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.9 | 90.5 | -178.5 | -62.7 | -92.2 | 0 | 0 | 0 | 110 | F481 T483 A484 R487 | F472-F481 PolarHBondContact N-O 2.84Å; F472-F481 PolarHBondContact O-N 3.43Å; F472-F481 VanDerWaalsContact O-N 3.08Å; F472-T483 VanDerWaalsContact CD2-CA 3.47Å; F472-A484 HydrophobicContact CD1-CB 3.85Å; F472-A484 HydrophobicContact CE1-CB 3.87Å; F472-A484 HydrophobicContact CG-CB 4.32Å; F472-A484 HydrophobicContact CZ-CB 4.35Å; F472-R487 HydrophobicContact CB-CB 4.09Å |
| 473 | A | 83.4 | Confident | 66.1 | Low | 43 Ų | 43 | 87.7 Ų | 87.7 | 36% | 0.355 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A471 A479 R487 | A471-A473 PolarHBondContact O-N 3.46Å; A473-A479 CarbonylContact C-O 3.5Å; A473-A479 WeakPolarHBondContact CA-O 3.42Å; A473-R487 WeakPolarHBondContact O-CD 3.47Å |
| 474 | C | 83.4 | Confident | 68.1 | Low | 1 Ų | 1 | 85.7 Ų | 85.7 | 1% | 0.007 | 52% | 0.518 | C | S | . | . | trans | -84 | 123.9 | 170.9 | -179 | 0 | 0 | 0 | 0 | 110.1 | L476 C477 G478 A479 F481 R487 | C474-L476 PolarHBondContact O-N 2.79Å; C474-L476 VanDerWaalsContact O-N 3.12Å; C474-C477 PolarHBondContact O-N 3.38Å; C474-G478 PolarHBondContact O-N 3.38Å; C474-A479 PolarHBondContact N-O 2.9Å; C474-F481 HydrophobicContact CB-CD2 4.5Å; C474-F481 HydrophobicContact CB-CE2 3.99Å; C474-R487 HydrophobicContact CB-CG 4.12Å | ||
| 475 | P | 75.3 | Confident | 69.8 | Low | 111 Ų | 111 | 85.7 Ų | 85.7 | 72% | 0.721 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.8 | -175.6 | 26.7 | -35.1 | 0 | 0 | 0 | 113.9 | ||
| 476 | L | 74.8 | Confident | 71.2 | Confident | 103 Ų | 103 | 82.2 Ų | 82.2 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -6.2 | -177 | -57.6 | 175.4 | 0 | 0 | 0 | 113.8 | C474 R491 H494 | C474-L476 PolarHBondContact O-N 2.79Å; C474-L476 VanDerWaalsContact O-N 3.12Å; L476-R491 HydrophobicContact CD1-CG 4.39Å; L476-H494 HydrophobicContact CD1-CB 3.48Å; L476-H494 VanDerWaalsContact CD1-CB 3.48Å |
| 477 | C | 77.6 | Confident | 73 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -158.3 | -2.4 | -176.3 | 65.6 | 0 | 0 | 0 | 0 | 116.2 | C474 A479 H490 | C474-C477 PolarHBondContact O-N 3.38Å; C477-A479 PolarHBondContact O-N 3.16Å; C477-A479 VanDerWaalsContact O-N 3.13Å; C477-A479 WeakPolarHBondContact SG-CB 3.41Å; C477-A479 PolarHBondContact SG-N 3.06Å; C477-H490 PolarHBondContact SG-NE2 3.42Å |
| 478 | G | 73.6 | Confident | 74.4 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 46% | 0.464 | 44% | 0.436 | S | S | . | . | trans | 67.4 | 6.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | C474 H480 | C474-G478 PolarHBondContact O-N 3.38Å; G478-H480 PolarHBondContact O-CE1 2.88Å; G478-H480 VanDerWaalsContact O-CE1 3.31Å; G478-H480 PolarHBondContact O-N 3.13Å; G478-H480 PolarHBondContact O-ND1 3.19Å | ||
| 479 | A | 76.1 | Confident | 75.5 | Confident | 35 Ų | 35 | 76 Ų | 76 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | trans | -69.9 | 128.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A473 C474 C477 F481 | A473-A479 CarbonylContact C-O 3.5Å; A473-A479 WeakPolarHBondContact CA-O 3.42Å; C474-A479 PolarHBondContact N-O 2.9Å; C477-A479 PolarHBondContact O-N 3.16Å; C477-A479 VanDerWaalsContact O-N 3.13Å; C477-A479 WeakPolarHBondContact SG-CB 3.41Å; C477-A479 PolarHBondContact SG-N 3.06Å; A479-F481 HydrophobicContact CB-CE2 3.64Å; A479-F481 HydrophobicContact CB-CZ 3.75Å; A479-F481 VanDerWaalsContact O-CD2 3.27Å; A479-F481 WeakPolarHBondContact O-CD2 3.21Å; A479-F481 WeakPolarHBondContact O-CE2 3.48Å | ||
| 480 | H | 75.9 | Confident | 76.7 | Confident | 129 Ų | 129 | 73 Ų | 73 | 60% | 0.597 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.1 | -175 | -71.1 | 67.4 | 0 | 0 | 0 | 111.5 | A471 G478 | A471-H480 HydrophobicContact CB-CB 4.28Å; G478-H480 PolarHBondContact O-CE1 2.88Å; G478-H480 VanDerWaalsContact O-CE1 3.31Å; G478-H480 PolarHBondContact O-N 3.13Å; G478-H480 PolarHBondContact O-ND1 3.19Å |
| 481 | F | 77.1 | Confident | 77.8 | Confident | 38 Ų | 38 | 72 Ų | 72 | 17% | 0.167 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.6 | -177.3 | -61.4 | -78.9 | 0 | 0 | 0 | 112.5 | A471 F472 C474 A479 T483 I486 R487 H490 | A471-F481 CarbonylContact C-O 3.56Å; A471-F481 WeakPolarHBondContact CA-O 3.46Å; F472-F481 PolarHBondContact N-O 2.84Å; F472-F481 PolarHBondContact O-N 3.43Å; F472-F481 VanDerWaalsContact O-N 3.08Å; C474-F481 HydrophobicContact CB-CD2 4.5Å; C474-F481 HydrophobicContact CB-CE2 3.99Å; A479-F481 HydrophobicContact CB-CE2 3.64Å; A479-F481 HydrophobicContact CB-CZ 3.75Å; A479-F481 VanDerWaalsContact O-CD2 3.27Å; A479-F481 WeakPolarHBondContact O-CD2 3.21Å; A479-F481 WeakPolarHBondContact O-CE2 3.48Å; F481-T483 VanDerWaalsContact C-N 3.3Å; F481-T483 PolarHBondContact O-N 3.31Å; F481-I486 HydrophobicContact CB-CB 4.34Å; F481-I486 HydrophobicContact CB-CG2 4.3Å; F481-I486 HydrophobicContact CD1-CB 4.43Å; F481-I486 HydrophobicContact CD1-CG2 3.53Å; F481-I486 HydrophobicContact CE1-CG2 4.22Å; F481-I486 HydrophobicContact CG-CG2 4.17Å; F481-R487 HydrophobicContact CB-CB 4.2Å; F481-R487 HydrophobicContact CD2-CB 3.9Å; F481-R487 HydrophobicContact CD2-CG 4.23Å; F481-R487 HydrophobicContact CG-CB 4.32Å; F481-H490 HydrophobicContact CE1-CB 4.25Å; F481-H490 HydrophobicContact CE2-CB 3.89Å; F481-H490 AromaticContact CE2-CD2 3.42Å; F481-H490 VanDerWaalsContact CE2-CD2 3.42Å; F481-H490 WeakPolarHBondContact CE2-CD2 3.47Å; F481-H490 AromaticContact CE2-CG 3.75Å; F481-H490 HydrophobicContact CZ-CB 3.65Å; F481-H490 AromaticContact CZ-CD2 3.41Å; F481-H490 VanDerWaalsContact CZ-CD2 3.41Å; F481-H490 WeakPolarHBondContact CZ-CD2 3.16Å; F481-H490 AromaticContact CZ-CG 3.39Å |
| 482 | P | 76.1 | Confident | 78.4 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -75.7 | -14.2 | -176.2 | 30.9 | -35.9 | 0 | 0 | 0 | 114.1 | I486 | P482-I486 HydrophobicContact CG-CD1 4.13Š|
| 483 | T | 76.6 | Confident | 78.3 | Confident | 54 Ų | 54 | 80.6 Ų | 80.6 | 33% | 0.331 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -141.2 | 155 | 172.5 | 71.8 | 0 | 0 | 0 | 0 | 111.6 | F472 F481 D485 I486 R487 | F472-T483 VanDerWaalsContact CD2-CA 3.47Å; F481-T483 VanDerWaalsContact C-N 3.3Å; F481-T483 PolarHBondContact O-N 3.31Å; T483-D485 VanDerWaalsContact C-N 3.3Å; T483-D485 PolarHBondContact O-N 3.38Å; T483-I486 PolarHBondContact O-N 2.79Å; T483-I486 WeakPolarHBondContact OG1-CG1 3.44Å; T483-R487 PolarHBondContact O-N 3.08Å |
| 484 | A | 81.3 | Confident | 77.9 | Confident | 33 Ų | 33 | 79.2 Ų | 79.2 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.5 | -41.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F472 I486 R487 E488 | F472-A484 HydrophobicContact CD1-CB 3.85Å; F472-A484 HydrophobicContact CE1-CB 3.87Å; F472-A484 HydrophobicContact CG-CB 4.32Å; F472-A484 HydrophobicContact CZ-CB 4.35Å; A484-I486 VanDerWaalsContact C-N 3.27Å; A484-I486 PolarHBondContact O-N 2.76Å; A484-R487 CarbonylContact O-C 3.54Å; A484-R487 WeakPolarHBondContact O-CB 3.33Å; A484-R487 PolarHBondContact O-N 3.46Å; A484-R487 VanDerWaalsContact O-N 3.15Å; A484-E488 WeakPolarHBondContact O-CB 3.42Å; A484-E488 PolarHBondContact O-N 2.87Å |
| 485 | D | 76.5 | Confident | 77.2 | Confident | 106 Ų | 106 | 81.3 Ų | 81.3 | 57% | 0.567 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -58.7 | -36.4 | -179.8 | -51.5 | -90.6 | 0 | 0 | 0 | 113.7 | T483 E488 K489 | T483-D485 VanDerWaalsContact C-N 3.3Å; T483-D485 PolarHBondContact O-N 3.38Å; D485-E488 PolarHBondContact O-N 3.15Å; D485-K489 WeakPolarHBondContact O-CB 3.39Å; D485-K489 VanDerWaalsContact O-CG 3.28Å; D485-K489 WeakPolarHBondContact O-CG 3.37Å; D485-K489 PolarHBondContact O-N 3.26Å |
| 486 | I | 76.4 | Confident | 76.5 | Confident | 80 Ų | 80 | 80.3 Ų | 80.3 | 41% | 0.41 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -77.5 | -37.5 | -178.7 | -60.4 | 169.8 | 0 | 0 | 0 | 109.3 | F481 P482 T483 A484 H490 | F481-I486 HydrophobicContact CB-CB 4.34Å; F481-I486 HydrophobicContact CB-CG2 4.3Å; F481-I486 HydrophobicContact CD1-CB 4.43Å; F481-I486 HydrophobicContact CD1-CG2 3.53Å; F481-I486 HydrophobicContact CE1-CG2 4.22Å; F481-I486 HydrophobicContact CG-CG2 4.17Å; P482-I486 HydrophobicContact CG-CD1 4.13Å; T483-I486 PolarHBondContact O-N 2.79Å; T483-I486 WeakPolarHBondContact OG1-CG1 3.44Å; A484-I486 VanDerWaalsContact C-N 3.27Å; A484-I486 PolarHBondContact O-N 2.76Å; I486-H490 WeakPolarHBondContact O-CB 3.45Å; I486-H490 PolarHBondContact O-N 3.21Å |
| 487 | R | 85.8 | Confident | 75.5 | Confident | 70 Ų | 70 | 80.6 Ų | 80.6 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 167.9 | -178.2 | -154.8 | 62.8 | -161 | -2.1 | 111.2 | F472 A473 C474 F481 T483 A484 H490 R491 | F472-R487 HydrophobicContact CB-CB 4.09Å; A473-R487 WeakPolarHBondContact O-CD 3.47Å; C474-R487 HydrophobicContact CB-CG 4.12Å; F481-R487 HydrophobicContact CB-CB 4.2Å; F481-R487 HydrophobicContact CD2-CB 3.9Å; F481-R487 HydrophobicContact CD2-CG 4.23Å; F481-R487 HydrophobicContact CG-CB 4.32Å; T483-R487 PolarHBondContact O-N 3.08Å; A484-R487 CarbonylContact O-C 3.54Å; A484-R487 WeakPolarHBondContact O-CB 3.33Å; A484-R487 PolarHBondContact O-N 3.46Å; A484-R487 VanDerWaalsContact O-N 3.15Å; R487-H490 CarbonylContact O-C 3.56Å; R487-H490 WeakPolarHBondContact O-CA 3.41Å; R487-H490 WeakPolarHBondContact O-CB 3.48Å; R487-H490 PolarHBondContact O-N 3.22Å; R487-H490 VanDerWaalsContact O-N 3.16Å; R487-R491 PolarHBondContact O-N 3.08Å |
| 488 | E | 79.9 | Confident | 74.3 | Confident | 60 Ų | 60 | 81.5 Ų | 81.5 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | -177.8 | -134.7 | 58.5 | -140.4 | 0 | 0 | 111.3 | A484 D485 H490 R491 L492 | A484-E488 WeakPolarHBondContact O-CB 3.42Å; A484-E488 PolarHBondContact O-N 2.87Å; D485-E488 PolarHBondContact O-N 3.15Å; E488-H490 VanDerWaalsContact C-N 3.27Å; E488-H490 PolarHBondContact O-N 3.33Å; E488-R491 WeakPolarHBondContact O-CB 3.39Å; E488-R491 PolarHBondContact O-N 3.45Å; E488-R491 VanDerWaalsContact O-N 3.08Å; E488-R491 WeakPolarHBondContact OE1-CD 3.27Å; E488-R491 IonicContact OE1-CZ 2.93Å; E488-R491 IonicContact OE1-NE 3.7Å; E488-R491 IonicContact OE1-NH1 3.08Å; E488-R491 PolarHBondContact OE1-NH1 3.02Å; E488-L492 WeakPolarHBondContact O-CG 3.48Å; E488-L492 PolarHBondContact O-N 2.45Å |
| 489 | K | 74.6 | Confident | 73.4 | Confident | 141 Ų | 141 | 85.9 Ų | 85.9 | 61% | 0.613 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.5 | -35.7 | 170.8 | -72.4 | 169.8 | -174 | 177 | 0 | 111.8 | D485 L492 W493 | D485-K489 WeakPolarHBondContact O-CB 3.39Å; D485-K489 VanDerWaalsContact O-CG 3.28Å; D485-K489 WeakPolarHBondContact O-CG 3.37Å; D485-K489 PolarHBondContact O-N 3.26Å; K489-L492 PolarHBondContact O-N 3.48Å; K489-W493 VanDerWaalsContact O-CD1 3.29Å; K489-W493 PolarHBondContact O-N 2.84Å |
| 490 | H | 81 | Confident | 72.3 | Confident | 51 Ų | 51 | 88.5 Ų | 88.5 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -71.3 | -32.1 | 172.1 | -176.6 | 62.3 | 0 | 0 | 0 | 113.3 | C477 F481 I486 R487 E488 L492 W493 H494 | C477-H490 PolarHBondContact SG-NE2 3.42Å; F481-H490 HydrophobicContact CE1-CB 4.25Å; F481-H490 HydrophobicContact CE2-CB 3.89Å; F481-H490 AromaticContact CE2-CD2 3.42Å; F481-H490 VanDerWaalsContact CE2-CD2 3.42Å; F481-H490 WeakPolarHBondContact CE2-CD2 3.47Å; F481-H490 AromaticContact CE2-CG 3.75Å; F481-H490 HydrophobicContact CZ-CB 3.65Å; F481-H490 AromaticContact CZ-CD2 3.41Å; F481-H490 VanDerWaalsContact CZ-CD2 3.41Å; F481-H490 WeakPolarHBondContact CZ-CD2 3.16Å; F481-H490 AromaticContact CZ-CG 3.39Å; I486-H490 WeakPolarHBondContact O-CB 3.45Å; I486-H490 PolarHBondContact O-N 3.21Å; R487-H490 CarbonylContact O-C 3.56Å; R487-H490 WeakPolarHBondContact O-CA 3.41Å; R487-H490 WeakPolarHBondContact O-CB 3.48Å; R487-H490 PolarHBondContact O-N 3.22Å; R487-H490 VanDerWaalsContact O-N 3.16Å; E488-H490 VanDerWaalsContact C-N 3.27Å; E488-H490 PolarHBondContact O-N 3.33Å; H490-L492 VanDerWaalsContact C-N 3.33Å; H490-W493 WeakPolarHBondContact O-CB 3.48Å; H490-W493 PolarHBondContact O-N 2.82Å; H490-W493 VanDerWaalsContact O-N 3.16Å; H490-H494 AromaticContact CD2-NE2 3.69Å; H490-H494 AromaticContact CE1-NE2 3.65Å; H490-H494 AromaticContact NE2-CD2 3.89Å; H490-H494 AromaticContact NE2-NE2 3.09Å; H490-H494 PolarHBondContact NE2-NE2 3.08Å; H490-H494 PolarHBondContact O-CD2 3.15Å; H490-H494 VanDerWaalsContact O-CD2 3.25Å; H490-H494 PolarHBondContact O-N 3.38Å |
| 491 | R | 80.6 | Confident | 71 | Confident | 133 Ų | 133 | 86.7 Ų | 86.7 | 50% | 0.502 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 171.7 | -174.3 | -171 | 176.4 | -168.5 | -2.5 | 111.1 | L476 R487 E488 W493 H494 A495 | L476-R491 HydrophobicContact CD1-CG 4.39Å; R487-R491 PolarHBondContact O-N 3.08Å; E488-R491 WeakPolarHBondContact O-CB 3.39Å; E488-R491 PolarHBondContact O-N 3.45Å; E488-R491 VanDerWaalsContact O-N 3.08Å; E488-R491 WeakPolarHBondContact OE1-CD 3.27Å; E488-R491 IonicContact OE1-CZ 2.93Å; E488-R491 IonicContact OE1-NE 3.7Å; E488-R491 IonicContact OE1-NH1 3.08Å; E488-R491 PolarHBondContact OE1-NH1 3.02Å; R491-W493 VanDerWaalsContact C-N 3.28Å; R491-W493 PolarHBondContact O-N 3Å; R491-H494 WeakPolarHBondContact O-CA 3.4Å; R491-H494 WeakPolarHBondContact O-CB 3.38Å; R491-H494 PolarHBondContact O-N 2.6Å; R491-A495 PolarHBondContact O-N 2.91Å |
| 492 | L | 83.1 | Confident | 69.5 | Low | 111 Ų | 111 | 90 Ų | 90 | 58% | 0.581 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.2 | -30.4 | 172.5 | -65.5 | 173.5 | 0 | 0 | 0 | 112.8 | E488 K489 H490 H494 A495 V496 | E488-L492 WeakPolarHBondContact O-CG 3.48Å; E488-L492 PolarHBondContact O-N 2.45Å; K489-L492 PolarHBondContact O-N 3.48Å; H490-L492 VanDerWaalsContact C-N 3.33Å; L492-H494 VanDerWaalsContact C-N 3.27Å; L492-H494 PolarHBondContact O-N 3.22Å; L492-A495 PolarHBondContact O-N 3.1Å; L492-V496 WeakPolarHBondContact O-CG2 3.43Å; L492-V496 PolarHBondContact O-N 3.31Å |
| 493 | W | 74.6 | Confident | 68.1 | Low | 190 Ų | 190 | 90.9 Ų | 90.9 | 72% | 0.72 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.4 | -26 | 170.3 | -83 | 92.7 | 0 | 0 | 0 | 113.5 | K489 H490 R491 | K489-W493 VanDerWaalsContact O-CD1 3.29Å; K489-W493 PolarHBondContact O-N 2.84Å; H490-W493 WeakPolarHBondContact O-CB 3.48Å; H490-W493 PolarHBondContact O-N 2.82Å; H490-W493 VanDerWaalsContact O-N 3.16Å; R491-W493 VanDerWaalsContact C-N 3.28Å; R491-W493 PolarHBondContact O-N 3Å |
| 494 | H | 76 | Confident | 66.8 | Low | 15 Ų | 15 | 92.2 Ų | 92.2 | 7% | 0.069 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -79.5 | -42.1 | 169 | -64.6 | -82.1 | 0 | 0 | 0 | 111.1 | L476 H490 R491 L492 V496 R497 E498 | L476-H494 HydrophobicContact CD1-CB 3.48Å; L476-H494 VanDerWaalsContact CD1-CB 3.48Å; H490-H494 AromaticContact CD2-NE2 3.69Å; H490-H494 AromaticContact CE1-NE2 3.65Å; H490-H494 AromaticContact NE2-CD2 3.89Å; H490-H494 AromaticContact NE2-NE2 3.09Å; H490-H494 PolarHBondContact NE2-NE2 3.08Å; H490-H494 PolarHBondContact O-CD2 3.15Å; H490-H494 VanDerWaalsContact O-CD2 3.25Å; H490-H494 PolarHBondContact O-N 3.38Å; R491-H494 WeakPolarHBondContact O-CA 3.4Å; R491-H494 WeakPolarHBondContact O-CB 3.38Å; R491-H494 PolarHBondContact O-N 2.6Å; L492-H494 VanDerWaalsContact C-N 3.27Å; L492-H494 PolarHBondContact O-N 3.22Å; H494-V496 PolarHBondContact O-N 2.78Å; H494-R497 CarbonylContact O-C 3.57Å; H494-R497 WeakPolarHBondContact O-CA 3.5Å; H494-R497 VanDerWaalsContact O-CB 3.25Å; H494-R497 WeakPolarHBondContact O-CB 3.48Å; H494-R497 PolarHBondContact O-N 3.36Å; H494-E498 WeakPolarHBondContact O-CG 3.45Å; H494-E498 PolarHBondContact O-N 3.43Å |
| 495 | A | 68.4 | Low | 64.9 | Low | 44 Ų | 44 | 98.5 Ų | 98.5 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56 | -48.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | R491 L492 R497 E498 E499 | R491-A495 PolarHBondContact O-N 2.91Å; L492-A495 PolarHBondContact O-N 3.1Å; A495-R497 PolarHBondContact O-N 3.36Å; A495-R497 VanDerWaalsContact O-N 3.12Å; A495-E498 PolarHBondContact O-N 3.36Å; A495-E498 VanDerWaalsContact O-N 3.12Å; A495-E499 WeakPolarHBondContact O-CG 3.43Å; A495-E499 PolarHBondContact O-N 3.2Å |
| 496 | V | 60.2 | Low | 63 | Low | 90 Ų | 90 | 97.7 Ų | 97.7 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -16.8 | 174.3 | 174 | 0 | 0 | 0 | 0 | 112.9 | L492 H494 L500 | L492-V496 WeakPolarHBondContact O-CG2 3.43Å; L492-V496 PolarHBondContact O-N 3.31Å; H494-V496 PolarHBondContact O-N 2.78Å; V496-L500 WeakPolarHBondContact O-CD1 3.44Å; V496-L500 WeakPolarHBondContact O-CG 3.29Å |
| 497 | R | 53.2 | Low | 61.3 | Low | 110 Ų | 110 | 97.8 Ų | 97.8 | 42% | 0.415 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -86.8 | -39.7 | 172.3 | -165.8 | -168.9 | 69.5 | -176.4 | -0.5 | 112 | H494 A495 L500 L501 | H494-R497 CarbonylContact O-C 3.57Å; H494-R497 WeakPolarHBondContact O-CA 3.5Å; H494-R497 VanDerWaalsContact O-CB 3.25Å; H494-R497 WeakPolarHBondContact O-CB 3.48Å; H494-R497 PolarHBondContact O-N 3.36Å; A495-R497 PolarHBondContact O-N 3.36Å; A495-R497 VanDerWaalsContact O-N 3.12Å; R497-L500 PolarHBondContact O-N 2.84Å; R497-L501 HydrophobicContact CG-CD1 4.31Å; R497-L501 WeakPolarHBondContact O-CG 3.47Å; R497-L501 PolarHBondContact O-N 3.05Å |
| 498 | E | 53.3 | Low | 58.7 | Low | 83 Ų | 83 | 98.7 Ų | 98.7 | 39% | 0.388 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 177.3 | -57.1 | -52.8 | 122.6 | 0 | 0 | 111.5 | H494 A495 L500 L501 L502 | H494-E498 WeakPolarHBondContact O-CG 3.45Å; H494-E498 PolarHBondContact O-N 3.43Å; A495-E498 PolarHBondContact O-N 3.36Å; A495-E498 VanDerWaalsContact O-N 3.12Å; E498-L500 PolarHBondContact O-N 2.87Å; E498-L500 VanDerWaalsContact O-N 3.16Å; E498-L501 CarbonylContact O-C 3.47Å; E498-L501 WeakPolarHBondContact O-CA 3.19Å; E498-L501 PolarHBondContact O-N 3.29Å; E498-L502 WeakPolarHBondContact O-CG 3.48Å; E498-L502 PolarHBondContact O-N 2.95Å |
| 499 | E | 54.3 | Low | 56.7 | Low | 138 Ų | 138 | 101.8 Ų | 101.8 | 65% | 0.645 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -27.8 | 172.6 | -68.6 | -68.1 | 124.4 | 0 | 0 | 112.8 | A495 | A495-E499 WeakPolarHBondContact O-CG 3.43Å; A495-E499 PolarHBondContact O-N 3.2Å |
| 500 | L | 52.7 | Low | 55.2 | Low | 89 Ų | 89 | 100 Ų | 100 | 47% | 0.466 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.8 | 2.8 | 175.4 | -65.5 | 176.8 | 0 | 0 | 0 | 113.7 | V496 R497 E498 F537 | V496-L500 WeakPolarHBondContact O-CD1 3.44Å; V496-L500 WeakPolarHBondContact O-CG 3.29Å; R497-L500 PolarHBondContact O-N 2.84Å; E498-L500 PolarHBondContact O-N 2.87Å; E498-L500 VanDerWaalsContact O-N 3.16Å; L500-F537 HydrophobicContact CD1-CE1 3.81Å; L500-F537 HydrophobicContact CD1-CZ 4Å |
| 501 | L | 48.9 | Very low | 52.9 | Low | 91 Ų | 91 | 105.9 Ų | 105.9 | 48% | 0.476 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.2 | -23.1 | 176.1 | -68.7 | 170.9 | 0 | 0 | 0 | 112.7 | R497 E498 P503 A504 | R497-L501 HydrophobicContact CG-CD1 4.31Å; R497-L501 WeakPolarHBondContact O-CG 3.47Å; R497-L501 PolarHBondContact O-N 3.05Å; E498-L501 CarbonylContact O-C 3.47Å; E498-L501 WeakPolarHBondContact O-CA 3.19Å; E498-L501 PolarHBondContact O-N 3.29Å; L501-P503 VanDerWaalsContact C-N 3.31Å; L501-A504 VanDerWaalsContact O-CB 3.31Å; L501-A504 WeakPolarHBondContact O-CB 3.41Å; L501-A504 PolarHBondContact O-N 2.87Å |
| 502 | L | 46.2 | Very low | 50.9 | Low | 107 Ų | 107 | 105.5 Ų | 105.5 | 56% | 0.56 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -60.2 | -19.9 | 178.7 | -81.7 | 167.1 | 0 | 0 | 0 | 116.8 | E498 A504 | E498-L502 WeakPolarHBondContact O-CG 3.48Å; E498-L502 PolarHBondContact O-N 2.95Å; L502-A504 PolarHBondContact O-N 3.03Å; L502-A504 VanDerWaalsContact O-N 3.16Å |
| 503 | P | 47.6 | Very low | 49.7 | Very low | 112 Ų | 112 | 106.6 Ų | 106.6 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -63.3 | -12.9 | 167.8 | -25.3 | 36.1 | 0 | 0 | 0 | 115 | L501 | L501-P503 VanDerWaalsContact C-N 3.31Š|
| 504 | A | 47.3 | Very low | 47.6 | Very low | 82 Ų | 82 | 101.1 Ų | 101.1 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -92.2 | -9.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L501 L502 | L501-A504 VanDerWaalsContact O-CB 3.31Å; L501-A504 WeakPolarHBondContact O-CB 3.41Å; L501-A504 PolarHBondContact O-N 2.87Å; L502-A504 PolarHBondContact O-N 3.03Å; L502-A504 VanDerWaalsContact O-N 3.16Å |
| 505 | L | 41.5 | Very low | 46.7 | Very low | 166 Ų | 166 | 106.5 Ų | 106.5 | 87% | 0.869 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | 2.3 | -175 | -69.8 | 175.9 | 0 | 0 | 0 | 115 | G507 | L505-G507 VanDerWaalsContact C-N 3.29Å; L505-G507 PolarHBondContact O-N 3.43Å |
| 506 | A | 37.4 | Very low | 45.2 | Very low | 88 Ų | 88 | 110.8 Ų | 110.8 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | -80.3 | 75.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A508 | A506-A508 PolarHBondContact O-N 3.4Š| ||
| 507 | G | 40 | Very low | 43.8 | Very low | 83 Ų | 83 | 109.5 Ų | 109.5 | 86% | 0.856 | 70% | 0.701 | S | S | * | * | trans | -68 | 115.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L505 | L505-G507 VanDerWaalsContact C-N 3.29Å; L505-G507 PolarHBondContact O-N 3.43Å | ||
| 508 | A | 31.6 | Very low | 43.6 | Very low | 88 Ų | 88 | 110.6 Ų | 110.6 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -126.6 | 150.5 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | A506 | A506-A508 PolarHBondContact O-N 3.4Š| ||
| 509 | P | 37.5 | Very low | 42.7 | Very low | 126 Ų | 126 | 112.2 Ų | 112.2 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -76.1 | 164 | -159.8 | 29.5 | -36.1 | 0 | 0 | 0 | 114.8 | ||||
| 510 | S | 43.1 | Very low | 42.2 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -61.1 | 141.1 | 171.4 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 511 | E | 34.5 | Very low | 41.7 | Very low | 173 Ų | 173 | 112 Ų | 112 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | -142.3 | 170.4 | 143.5 | -92.9 | -53.1 | 103.2 | 0 | 0 | 109.6 | ||||
| 512 | T | 37.5 | Very low | 41.6 | Very low | 125 Ų | 125 | 112.5 Ų | 112.5 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | trans | -97.4 | 165.4 | -157.2 | 41.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 513 | P | 58.4 | Low | 41.8 | Very low | 135 Ų | 135 | 111.6 Ų | 111.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -92.9 | 152.1 | -152.2 | 35.3 | -36.4 | 0 | 0 | 0 | 116.2 | ||||
| 514 | G | 30.2 | Very low | 42.5 | Very low | 74 Ų | 74 | 112.8 Ų | 112.8 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | -147.6 | 155.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 515 | P | 57.6 | Low | 43.7 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -120 | 118.1 | -158.4 | 35.7 | -20.4 | 0 | 0 | 0 | 115.6 | ||||
| 516 | S | 35.6 | Very low | 45.5 | Very low | 133 Ų | 133 | 111.4 Ų | 111.4 | 93% | 0.93 | 75% | 0.751 | S | S | * | * | trans | -179.4 | 141.9 | 144.1 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 517 | G | 32.5 | Very low | 47.5 | Very low | 64 Ų | 64 | 110.3 Ų | 110.3 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | trans | 138.3 | 116.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S519 | G517-S519 PolarHBondContact O-N 3.42Å; G517-S519 VanDerWaalsContact O-N 3.16Å | ||
| 518 | P | 47.2 | Very low | 49.5 | Very low | 133 Ų | 133 | 110.1 Ų | 110.1 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | trans | -78.6 | 96.6 | 173.7 | 31.7 | -32 | 0 | 0 | 0 | 110.2 | D520 | P518-D520 PolarHBondContact O-N 3.33Š| ||
| 519 | S | 35.2 | Very low | 51.9 | Low | 117 Ų | 117 | 106.4 Ų | 106.4 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -79.5 | 99.2 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | G517 G521 | G517-S519 PolarHBondContact O-N 3.42Å; G517-S519 VanDerWaalsContact O-N 3.16Å; S519-G521 PolarHBondContact O-N 3.29Å | ||
| 520 | D | 43.6 | Very low | 53.8 | Low | 167 Ų | 167 | 108.3 Ų | 108.3 | 89% | 0.893 | 68% | 0.68 | S | S | * | * | trans | -73.6 | 41.9 | 172.6 | -116.5 | -38.6 | 0 | 0 | 0 | 112.3 | P518 S522 | P518-D520 PolarHBondContact O-N 3.33Å; D520-S522 PolarHBondContact O-N 3.13Å | ||
| 521 | G | 41.9 | Very low | 55.4 | Low | 55 Ų | 55 | 107.8 Ų | 107.8 | 57% | 0.567 | 67% | 0.666 | S | S | * | * | trans | -83.8 | 83.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S519 A523 | S519-G521 PolarHBondContact O-N 3.29Å; G521-A523 VanDerWaalsContact C-N 3.29Å; G521-A523 PolarHBondContact O-N 3.12Å | ||
| 522 | S | 46.4 | Very low | 57.4 | Low | 102 Ų | 102 | 101.4 Ų | 101.4 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | trans | -66 | 84.5 | 177.3 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | D520 Q524 | D520-S522 PolarHBondContact O-N 3.13Å; S522-Q524 PolarHBondContact O-N 2.81Å | ||
| 523 | A | 51.6 | Low | 59.2 | Low | 87 Ų | 87 | 102 Ų | 102 | 72% | 0.719 | 65% | 0.646 | S | S | * | * | trans | -55.3 | 106.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110 | G521 Q525 | G521-A523 VanDerWaalsContact C-N 3.29Å; G521-A523 PolarHBondContact O-N 3.12Å; A523-Q525 PolarHBondContact O-N 3.16Å | ||
| 524 | Q | 61.6 | Low | 60 | Low | 138 Ų | 138 | 97.7 Ų | 97.7 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | trans | -70.5 | 90.1 | -172.9 | -66.2 | -173.5 | 4 | 0 | 0 | 110.1 | S522 I526 | S522-Q524 PolarHBondContact O-N 2.81Å; Q524-I526 WeakPolarHBondContact O-CG1 3.39Å; Q524-I526 PolarHBondContact O-N 2.68Å | ||
| 525 | Q | 72.8 | Confident | 62.5 | Low | 140 Ų | 140 | 97.3 Ų | 97.3 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | trans | -52.1 | 114.6 | -176.1 | -68.3 | -176.3 | -11.1 | 0 | 0 | 110.9 | A523 F527 | A523-Q525 PolarHBondContact O-N 3.16Å; Q525-F527 HydrophobicContact CB-CE2 3.78Å; Q525-F527 HydrophobicContact CB-CZ 3.87Å; Q525-F527 WeakPolarHBondContact O-CD2 3.35Å; Q525-F527 WeakPolarHBondContact O-CE2 3.41Å; Q525-F527 PolarHBondContact O-N 2.92Å | ||
| 526 | I | 78.8 | Confident | 63.8 | Low | 79 Ų | 79 | 93.5 Ų | 93.5 | 41% | 0.405 | 57% | 0.572 | S | S | . | * | trans | -85.2 | 104.1 | -177.1 | -55.3 | -175.8 | 0 | 0 | 0 | 108.6 | Q524 S528 T535 F537 | Q524-I526 WeakPolarHBondContact O-CG1 3.39Å; Q524-I526 PolarHBondContact O-N 2.68Å; I526-S528 PolarHBondContact O-N 3.45Å; I526-T535 HydrophobicContact CG2-CG2 3.89Å; I526-F537 HydrophobicContact CD1-CE1 4Å; I526-F537 HydrophobicContact CG1-CD1 4.13Å; I526-F537 HydrophobicContact CG1-CE1 3.99Å | ||
| 527 | F | 79 | Confident | 66 | Low | 65 Ų | 65 | 91.9 Ų | 91.9 | 29% | 0.285 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 101.5 | 179.6 | -62.8 | -85.6 | 0 | 0 | 0 | 110.2 | Q525 F536 S539 L542 | Q525-F527 HydrophobicContact CB-CE2 3.78Å; Q525-F527 HydrophobicContact CB-CZ 3.87Å; Q525-F527 WeakPolarHBondContact O-CD2 3.35Å; Q525-F527 WeakPolarHBondContact O-CE2 3.41Å; Q525-F527 PolarHBondContact O-N 2.92Å; F527-F536 WeakPolarHBondContact CB-O 3.41Å; F527-F536 PolarHBondContact N-O 3.17Å; F527-F536 PolarHBondContact O-N 3.47Å; F527-S539 VanDerWaalsContact CD2-N 3.29Å; F527-L542 HydrophobicContact CB-CB 3.96Å; F527-L542 HydrophobicContact CB-CD2 3.76Å; F527-L542 HydrophobicContact CB-CG 4.46Å |
| 528 | S | 82.1 | Confident | 68.2 | Low | 79 Ų | 79 | 91.2 Ų | 91.2 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 146.7 | 176.3 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | I526 L542 | I526-S528 PolarHBondContact O-N 3.45Å; S528-L542 WeakPolarHBondContact O-CD2 3.48Å |
| 529 | C | 83.3 | Confident | 69.9 | Low | 10 Ų | 10 | 87.4 Ų | 87.4 | 7% | 0.068 | 51% | 0.51 | C | S | . | . | trans | -84.1 | 116.9 | 175 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | H531 C532 S534 F536 L542 H545 | C529-H531 PolarHBondContact O-N 2.78Å; C529-C532 WeakPolarHBondContact CB-O 3.33Å; C529-C532 PolarHBondContact O-N 2.92Å; C529-S534 WeakPolarHBondContact CB-O 3.26Å; C529-S534 PolarHBondContact N-O 3.35Å; C529-F536 HydrophobicContact CB-CE2 4.44Å; C529-L542 HydrophobicContact CB-CD1 3.61Å; C529-H545 VanDerWaalsContact SG-CD2 3.51Å; C529-H545 PolarHBondContact SG-NE2 3.34Å | ||
| 530 | K | 77.6 | Confident | 72.2 | Confident | 166 Ų | 166 | 85.3 Ų | 85.3 | 72% | 0.722 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 13.3 | 176.4 | 73.4 | 175.9 | -170.9 | 172.5 | 0 | 115.9 | ||
| 531 | H | 76.6 | Confident | 74 | Confident | 93 Ų | 93 | 78.3 Ų | 78.3 | 43% | 0.431 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | -7.4 | -177.3 | -61.4 | -72.5 | 0 | 0 | 0 | 114.1 | C529 H550 R555 | C529-H531 PolarHBondContact O-N 2.78Å; H531-H550 HydrophobicContact CB-CB 4.41Å; H531-H550 VanDerWaalsContact CB-CE1 3.4Å; H531-H550 WeakPolarHBondContact CB-CE1 3.23Å; H531-H550 WeakPolarHBondContact CB-ND1 3.29Å; H531-H550 PolarHBondContact O-CE1 3.31Å; H531-H550 VanDerWaalsContact O-CE1 3.26Å; H531-R555 PolarHBondContact CD2-NH2 3.43Å; H531-R555 PolarHBondContact NE2-NE 3.29Å; H531-R555 PolarHBondContact NE2-NH2 2.96Å |
| 532 | C | 75.1 | Confident | 76 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -165.8 | 161.4 | 172 | 70.8 | 0 | 0 | 0 | 0 | 110 | C529 S534 H545 H550 | C529-C532 WeakPolarHBondContact CB-O 3.33Å; C529-C532 PolarHBondContact O-N 2.92Å; C532-S534 PolarHBondContact O-N 3.25Å; C532-S534 PolarHBondContact SG-OG 3.2Å; C532-S534 VanDerWaalsContact SG-OG 3.38Å; C532-H545 PolarHBondContact SG-CE1 3.14Å; C532-H545 PolarHBondContact SG-NE2 2.97Å; C532-H550 PolarHBondContact SG-NE2 3.29Å |
| 533 | P | 75.5 | Confident | 77.7 | Confident | 139 Ų | 139 | 74.9 Ų | 74.9 | 90% | 0.903 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -74.2 | 34.1 | -173.8 | 31.8 | -37.8 | 0 | 0 | 0 | 115 | ||
| 534 | S | 75.1 | Confident | 79.2 | Confident | 44 Ų | 44 | 79.3 Ų | 79.3 | 31% | 0.308 | 42% | 0.422 | S | S | . | . | trans | -92.6 | 132.7 | 176.6 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | C529 C532 | C529-S534 WeakPolarHBondContact CB-O 3.26Å; C529-S534 PolarHBondContact N-O 3.35Å; C532-S534 PolarHBondContact O-N 3.25Å; C532-S534 PolarHBondContact SG-OG 3.2Å; C532-S534 VanDerWaalsContact SG-OG 3.38Å | ||
| 535 | T | 83.8 | Confident | 80.3 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 41% | 0.405 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 150.4 | 175.2 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | I526 | I526-T535 HydrophobicContact CG2-CG2 3.89Å |
| 536 | F | 84.8 | Confident | 80.8 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 21% | 0.211 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 128.5 | -176.4 | -58.4 | -86 | 0 | 0 | 0 | 111.7 | F527 C529 S538 L542 H545 | F527-F536 WeakPolarHBondContact CB-O 3.41Å; F527-F536 PolarHBondContact N-O 3.17Å; F527-F536 PolarHBondContact O-N 3.47Å; C529-F536 HydrophobicContact CB-CE2 4.44Å; F536-S538 PolarHBondContact O-N 3.15Å; F536-L542 HydrophobicContact CB-CB 4.1Å; F536-L542 HydrophobicContact CD2-CB 3.88Å; F536-L542 HydrophobicContact CD2-CD1 3.68Å; F536-L542 HydrophobicContact CD2-CG 4.39Å; F536-L542 HydrophobicContact CE2-CD1 3.96Å; F536-L542 HydrophobicContact CG-CB 4.18Å; F536-H545 HydrophobicContact CE1-CB 3.79Å; F536-H545 HydrophobicContact CE2-CB 3.74Å; F536-H545 AromaticContact CE2-CD2 3.47Å; F536-H545 VanDerWaalsContact CE2-CD2 3.47Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.47Å; F536-H545 AromaticContact CE2-CG 3.48Å; F536-H545 VanDerWaalsContact CE2-CG 3.48Å; F536-H545 HydrophobicContact CZ-CB 3.33Å; F536-H545 AromaticContact CZ-CD2 3.69Å; F536-H545 AromaticContact CZ-CG 3.19Å; F536-H545 AromaticContact CZ-ND1 3.51Å |
| 537 | F | 82.1 | Confident | 80.8 | Confident | 99 Ų | 99 | 70 Ų | 70 | 43% | 0.434 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -74.6 | 25 | 176.1 | -53.1 | -80.5 | 0 | 0 | 0 | 113.8 | L500 I526 | L500-F537 HydrophobicContact CD1-CE1 3.81Å; L500-F537 HydrophobicContact CD1-CZ 4Å; I526-F537 HydrophobicContact CD1-CE1 4Å; I526-F537 HydrophobicContact CG1-CD1 4.13Å; I526-F537 HydrophobicContact CG1-CE1 3.99Å |
| 538 | S | 78.9 | Confident | 80.8 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 36% | 0.357 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -166.3 | 125.7 | -176.4 | -175 | 0 | 0 | 0 | 0 | 110.9 | F536 P540 G541 L542 | F536-S538 PolarHBondContact O-N 3.15Å; S538-P540 WeakPolarHBondContact OG-CD 3.24Å; S538-G541 CarbonylContact O-C 3.34Å; S538-G541 VanDerWaalsContact O-CA 3.24Å; S538-G541 WeakPolarHBondContact O-CA 3.38Å; S538-G541 PolarHBondContact O-N 3.45Å; S538-L542 PolarHBondContact O-N 3.29Å |
| 539 | S | 81.2 | Confident | 80.5 | Confident | 52 Ų | 52 | 75.2 Ų | 75.2 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 174.1 | 165.3 | 0 | 0 | 0 | 0 | 113.1 | F527 G541 L542 T543 | F527-S539 VanDerWaalsContact CD2-N 3.29Å; S539-G541 PolarHBondContact O-N 2.99Å; S539-L542 PolarHBondContact O-N 2.84Å; S539-T543 VanDerWaalsContact O-CB 3.31Å; S539-T543 WeakPolarHBondContact O-CB 3.41Å; S539-T543 PolarHBondContact O-N 3.17Å; S539-T543 PolarHBondContact O-OG1 2.94Å |
| 540 | P | 85.3 | Confident | 80.1 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.2 | -20.6 | 166.3 | -29.1 | 35.6 | 0 | 0 | 0 | 115.9 | S538 R544 | S538-P540 WeakPolarHBondContact OG-CD 3.24Å; P540-R544 PolarHBondContact O-N 2.89Å; P540-R544 PolarHBondContact O-NE 3.38Å |
| 541 | G | 80.8 | Confident | 79.6 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 22% | 0.216 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -75.8 | -56.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S538 S539 T543 R544 H545 | S538-G541 CarbonylContact O-C 3.34Å; S538-G541 VanDerWaalsContact O-CA 3.24Å; S538-G541 WeakPolarHBondContact O-CA 3.38Å; S538-G541 PolarHBondContact O-N 3.45Å; S539-G541 PolarHBondContact O-N 2.99Å; G541-T543 VanDerWaalsContact C-N 3.29Å; G541-T543 PolarHBondContact O-N 3.35Å; G541-R544 PolarHBondContact O-N 3.18Å; G541-R544 VanDerWaalsContact O-N 3.14Å; G541-H545 PolarHBondContact O-N 3.23Å |
| 542 | L | 84.1 | Confident | 78.8 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 11% | 0.11 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -54.1 | -45.4 | 175.1 | 172.7 | 61.5 | 0 | 0 | 0 | 111.6 | F527 S528 C529 F536 S538 S539 R544 H545 I546 | F527-L542 HydrophobicContact CB-CB 3.96Å; F527-L542 HydrophobicContact CB-CD2 3.76Å; F527-L542 HydrophobicContact CB-CG 4.46Å; S528-L542 WeakPolarHBondContact O-CD2 3.48Å; C529-L542 HydrophobicContact CB-CD1 3.61Å; F536-L542 HydrophobicContact CB-CB 4.1Å; F536-L542 HydrophobicContact CD2-CB 3.88Å; F536-L542 HydrophobicContact CD2-CD1 3.68Å; F536-L542 HydrophobicContact CD2-CG 4.39Å; F536-L542 HydrophobicContact CE2-CD1 3.96Å; F536-L542 HydrophobicContact CG-CB 4.18Å; S538-L542 PolarHBondContact O-N 3.29Å; S539-L542 PolarHBondContact O-N 2.84Å; L542-R544 VanDerWaalsContact C-N 3.32Å; L542-R544 PolarHBondContact O-N 3.3Å; L542-H545 WeakPolarHBondContact O-CB 3.11Å; L542-H545 PolarHBondContact O-N 3.45Å; L542-H545 VanDerWaalsContact O-N 3.16Å; L542-I546 HydrophobicContact CD1-CD1 3.8Å; L542-I546 HydrophobicContact CD1-CG1 3.88Å; L542-I546 HydrophobicContact CD2-CD1 4.25Å; L542-I546 HydrophobicContact CG-CD1 3.77Å; L542-I546 HydrophobicContact CG-CG1 4.26Å; L542-I546 WeakPolarHBondContact O-CB 3.48Å; L542-I546 WeakPolarHBondContact O-CG1 3.3Å; L542-I546 PolarHBondContact O-N 2.99Å |
| 543 | T | 82.4 | Confident | 77.8 | Confident | 63 Ų | 63 | 78.9 Ų | 78.9 | 39% | 0.387 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | -179.5 | -60 | 0 | 0 | 0 | 0 | 111.9 | S539 G541 N547 | S539-T543 VanDerWaalsContact O-CB 3.31Å; S539-T543 WeakPolarHBondContact O-CB 3.41Å; S539-T543 PolarHBondContact O-N 3.17Å; S539-T543 PolarHBondContact O-OG1 2.94Å; G541-T543 VanDerWaalsContact C-N 3.29Å; G541-T543 PolarHBondContact O-N 3.35Å; T543-N547 WeakPolarHBondContact O-CB 3.41Å; T543-N547 PolarHBondContact O-N 2.84Å; T543-N547 PolarHBondContact O-ND2 3.38Å |
| 544 | R | 82.8 | Confident | 76.4 | Confident | 181 Ų | 181 | 75.8 Ų | 75.8 | 68% | 0.683 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.4 | -40 | 173.9 | -88 | 178.3 | -82.5 | -147.3 | -0.5 | 112.3 | P540 G541 L542 K548 | P540-R544 PolarHBondContact O-N 2.89Å; P540-R544 PolarHBondContact O-NE 3.38Å; G541-R544 PolarHBondContact O-N 3.18Å; G541-R544 VanDerWaalsContact O-N 3.14Å; L542-R544 VanDerWaalsContact C-N 3.32Å; L542-R544 PolarHBondContact O-N 3.3Å; R544-K548 WeakPolarHBondContact O-CB 3.15Å; R544-K548 PolarHBondContact O-N 2.89Å |
| 545 | H | 84.7 | Confident | 75.4 | Confident | 24 Ų | 24 | 77.9 Ų | 77.9 | 11% | 0.111 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62 | -49.5 | 173.2 | 161.4 | 82.2 | 0 | 0 | 0 | 111.8 | C529 C532 F536 G541 L542 N547 K548 C549 H550 | C529-H545 VanDerWaalsContact SG-CD2 3.51Å; C529-H545 PolarHBondContact SG-NE2 3.34Å; C532-H545 PolarHBondContact SG-CE1 3.14Å; C532-H545 PolarHBondContact SG-NE2 2.97Å; F536-H545 HydrophobicContact CE1-CB 3.79Å; F536-H545 HydrophobicContact CE2-CB 3.74Å; F536-H545 AromaticContact CE2-CD2 3.47Å; F536-H545 VanDerWaalsContact CE2-CD2 3.47Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.47Å; F536-H545 AromaticContact CE2-CG 3.48Å; F536-H545 VanDerWaalsContact CE2-CG 3.48Å; F536-H545 HydrophobicContact CZ-CB 3.33Å; F536-H545 AromaticContact CZ-CD2 3.69Å; F536-H545 AromaticContact CZ-CG 3.19Å; F536-H545 AromaticContact CZ-ND1 3.51Å; G541-H545 PolarHBondContact O-N 3.23Å; L542-H545 WeakPolarHBondContact O-CB 3.11Å; L542-H545 PolarHBondContact O-N 3.45Å; L542-H545 VanDerWaalsContact O-N 3.16Å; H545-N547 PolarHBondContact O-N 3.43Å; H545-K548 PolarHBondContact O-N 3.45Å; H545-C549 WeakPolarHBondContact O-CB 3.49Å; H545-C549 PolarHBondContact O-N 3.32Å; H545-H550 AromaticContact NE2-CD2 3.75Å; H545-H550 AromaticContact NE2-NE2 3.58Å |
| 546 | I | 82.9 | Confident | 73.8 | Confident | 23 Ų | 23 | 82.4 Ų | 82.4 | 12% | 0.118 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -52.3 | -53.5 | 176.2 | -78.5 | 174.5 | 0 | 0 | 0 | 110.5 | L542 K548 H550 | L542-I546 HydrophobicContact CD1-CD1 3.8Å; L542-I546 HydrophobicContact CD1-CG1 3.88Å; L542-I546 HydrophobicContact CD2-CD1 4.25Å; L542-I546 HydrophobicContact CG-CD1 3.77Å; L542-I546 HydrophobicContact CG-CG1 4.26Å; L542-I546 WeakPolarHBondContact O-CB 3.48Å; L542-I546 WeakPolarHBondContact O-CG1 3.3Å; L542-I546 PolarHBondContact O-N 2.99Å; I546-K548 PolarHBondContact O-N 3.08Å; I546-K548 VanDerWaalsContact O-N 3.1Å; I546-H550 CarbonylContact O-C 3.2Å; I546-H550 VanDerWaalsContact O-CA 3.29Å; I546-H550 WeakPolarHBondContact O-CA 3.47Å; I546-H550 WeakPolarHBondContact O-CB 3.3Å; I546-H550 PolarHBondContact O-N 2.87Å |
| 547 | N | 79.3 | Confident | 72.2 | Confident | 115 Ų | 115 | 85 Ų | 85 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.7 | -7.6 | -177.6 | -66.3 | -16.8 | 0 | 0 | 0 | 113.7 | T543 H545 | T543-N547 WeakPolarHBondContact O-CB 3.41Å; T543-N547 PolarHBondContact O-N 2.84Å; T543-N547 PolarHBondContact O-ND2 3.38Å; H545-N547 PolarHBondContact O-N 3.43Å |
| 548 | K | 79.3 | Confident | 70.6 | Confident | 179 Ų | 179 | 87.5 Ų | 87.5 | 78% | 0.778 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -105.3 | -37.1 | -179.2 | -168.1 | 69.4 | 168.6 | -169.1 | 0 | 113.4 | R544 H545 I546 | R544-K548 WeakPolarHBondContact O-CB 3.15Å; R544-K548 PolarHBondContact O-N 2.89Å; H545-K548 PolarHBondContact O-N 3.45Å; I546-K548 PolarHBondContact O-N 3.08Å; I546-K548 VanDerWaalsContact O-N 3.1Å |
| 549 | C | 75.2 | Confident | 69.1 | Low | 73 Ų | 73 | 91.8 Ų | 91.8 | 49% | 0.493 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -105.5 | -25.4 | -175 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | H545 P551 | H545-C549 WeakPolarHBondContact O-CB 3.49Å; H545-C549 PolarHBondContact O-N 3.32Å; C549-P551 VanDerWaalsContact C-CD 3.44Å; C549-P551 WeakPolarHBondContact O-CD 3.3Å |
| 550 | H | 75.7 | Confident | 67.6 | Low | 39 Ų | 39 | 96.9 Ų | 96.9 | 18% | 0.181 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -128.2 | 62.5 | -178.1 | -53.6 | -73.9 | 0 | 0 | 0 | 110.5 | H531 C532 H545 I546 | H531-H550 HydrophobicContact CB-CB 4.41Å; H531-H550 VanDerWaalsContact CB-CE1 3.4Å; H531-H550 WeakPolarHBondContact CB-CE1 3.23Å; H531-H550 WeakPolarHBondContact CB-ND1 3.29Å; H531-H550 PolarHBondContact O-CE1 3.31Å; H531-H550 VanDerWaalsContact O-CE1 3.26Å; C532-H550 PolarHBondContact SG-NE2 3.29Å; H545-H550 AromaticContact NE2-CD2 3.75Å; H545-H550 AromaticContact NE2-NE2 3.58Å; I546-H550 CarbonylContact O-C 3.2Å; I546-H550 VanDerWaalsContact O-CA 3.29Å; I546-H550 WeakPolarHBondContact O-CA 3.47Å; I546-H550 WeakPolarHBondContact O-CB 3.3Å; I546-H550 PolarHBondContact O-N 2.87Å |
| 551 | P | 66.5 | Low | 65.9 | Low | 81 Ų | 81 | 102.4 Ų | 102.4 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | trans | -55.6 | 146.5 | 178.7 | 25.8 | -34.8 | 0 | 0 | 0 | 111.2 | C549 E553 | C549-P551 VanDerWaalsContact C-CD 3.44Å; C549-P551 WeakPolarHBondContact O-CD 3.3Å; P551-E553 PolarHBondContact O-N 3.36Å | ||
| 552 | S | 59.3 | Low | 63.9 | Low | 92 Ų | 92 | 108.5 Ų | 108.5 | 64% | 0.643 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -66.9 | -4 | -159.2 | 47.9 | 0 | 0 | 0 | 0 | 116.9 | S554 R555 | S552-S554 PolarHBondContact O-N 3.4Å; S552-R555 WeakPolarHBondContact O-CB 3.3Å; S552-R555 PolarHBondContact O-N 3.23Å; S552-R555 VanDerWaalsContact O-N 3.16Å |
| 553 | E | 53.9 | Low | 61.9 | Low | 173 Ų | 173 | 112.4 Ų | 112.4 | 81% | 0.808 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -67.7 | -33.7 | -173.1 | -157.5 | 155.6 | -144.3 | 0 | 0 | 112.8 | P551 R555 | P551-E553 PolarHBondContact O-N 3.36Å; E553-R555 VanDerWaalsContact C-N 3.32Å; E553-R555 PolarHBondContact O-N 2.9Å |
| 554 | S | 46.4 | Very low | 60.1 | Low | 74 Ų | 74 | 117.3 Ų | 117.3 | 52% | 0.517 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -79.3 | -8.9 | 174 | 66.5 | 0 | 0 | 0 | 0 | 114.5 | S552 Q556 | S552-S554 PolarHBondContact O-N 3.4Å; S554-Q556 VanDerWaalsContact C-N 3.32Å; S554-Q556 PolarHBondContact O-N 3.2Å |
| 555 | R | 54.3 | Low | 58.4 | Low | 88 Ų | 88 | 120 Ų | 120 | 33% | 0.332 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -77.9 | -12.4 | -174.7 | -68.5 | -172.8 | 167.4 | -158.3 | -7.1 | 114.6 | H531 S552 E553 | H531-R555 PolarHBondContact CD2-NH2 3.43Å; H531-R555 PolarHBondContact NE2-NE 3.29Å; H531-R555 PolarHBondContact NE2-NH2 2.96Å; S552-R555 WeakPolarHBondContact O-CB 3.3Å; S552-R555 PolarHBondContact O-N 3.23Å; S552-R555 VanDerWaalsContact O-N 3.16Å; E553-R555 VanDerWaalsContact C-N 3.32Å; E553-R555 PolarHBondContact O-N 2.9Å |
| 556 | Q | 49.7 | Very low | 56.7 | Low | 160 Ų | 160 | 125.2 Ų | 125.2 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -93.3 | -17.5 | 178.1 | -69 | -179.7 | -22.7 | 0 | 0 | 112.9 | S554 | S554-Q556 VanDerWaalsContact C-N 3.32Å; S554-Q556 PolarHBondContact O-N 3.2Å |
| 557 | V | 51.5 | Low | 55 | Low | 104 Ų | 104 | 127.5 Ų | 127.5 | 63% | 0.63 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -83.5 | -33.5 | -176.8 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | L559 | V557-L559 PolarHBondContact O-N 3.38Š|
| 558 | L | 48 | Very low | 53.1 | Low | 151 Ų | 151 | 132 Ų | 132 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -96.4 | 36.6 | 178.8 | -81.1 | 78.1 | 0 | 0 | 0 | 113.7 | ||
| 559 | L | 48.7 | Very low | 51.8 | Low | 140 Ų | 140 | 129.7 Ų | 129.7 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -115.6 | 3.1 | 166.3 | -91.2 | 169.5 | 0 | 0 | 0 | 113.4 | V557 | V557-L559 PolarHBondContact O-N 3.38Š|
| 560 | L | 49.1 | Very low | 50.5 | Low | 160 Ų | 160 | 132.6 Ų | 132.6 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -102.8 | 7.7 | -178.8 | -84.7 | 154 | 0 | 0 | 0 | 114.1 | ||
| 561 | Q | 49.3 | Very low | 49.1 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -135.5 | 49.4 | -179.8 | -152.7 | 149.9 | 43 | 0 | 0 | 112.6 | ||||
| 562 | M | 37.8 | Very low | 48.1 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 117.8 | 158.7 | -105.2 | -61.4 | -55.6 | 0 | 0 | 108.3 | L564 | M562-L564 PolarHBondContact O-N 3.41Š|
| 563 | P | 43 | Very low | 47.4 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 127 | 171.4 | 27.4 | -32.5 | 0 | 0 | 0 | 109.4 | R565 | P563-R565 PolarHBondContact O-N 3.27Š|
| 564 | L | 43.7 | Very low | 47 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 126.5 | 170.9 | -66.4 | 171.8 | 0 | 0 | 0 | 108.5 | M562 P566 | M562-L564 PolarHBondContact O-N 3.41Å; L564-P566 WeakPolarHBondContact O-CD 3.23Å |
| 565 | R | 47.3 | Very low | 47 | Very low | 238 Ų | 238 | 147.2 Ų | 147.2 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 127.6 | 166.2 | -84 | -176 | 163.1 | 175.1 | -6.4 | 108.5 | P563 | P563-R565 PolarHBondContact O-N 3.27Š|
| 566 | P | 49.3 | Very low | 46.5 | Very low | 132 Ų | 132 | 151.8 Ų | 151.8 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138.6 | 159.2 | -17.7 | 31.6 | 0 | 0 | 0 | 108.8 | L564 | L564-P566 WeakPolarHBondContact O-CD 3.23Š|
| 567 | G | 47.6 | Very low | 46.2 | Very low | 71 Ų | 71 | 151.1 Ų | 151.1 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | trans | -132.2 | 108.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 568 | C | 39.3 | Very low | 45.7 | Very low | 210 Ų | 210 | 155.4 Ų | 155.4 | 100% | 1.419 | 86% | 0.857 | S | S | * | * | trans | -170.8 | 0 | 155.3 | -89.9 | 0 | 0 | 0 | 0 | 105.4 |
Retrieved 568 of 568 residues in 263.4 ms
(Link to these results)