| 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 | 37 | Very low | 48.5 | Very low | 247 Ų | 247 | 168 Ų | 168 | 100% | 1.217 | 90% | 0.897 | S | S | * | * | 0 | 154.6 | 0 | -78.2 | -176 | 171.4 | 0 | 0 | 109.4 | |||||
| 2 | A | 37.9 | Very low | 49.9 | Very low | 107 Ų | 107 | 159.9 Ų | 159.9 | 88% | 0.884 | 88% | 0.884 | S | S | * | * | trans | 57 | 119.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 3 | A | 42.8 | Very low | 51.5 | Low | 104 Ų | 104 | 162.5 Ų | 162.5 | 86% | 0.86 | 88% | 0.88 | S | S | * | * | trans | -89.7 | 153 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | S | 42 | Very low | 52.6 | Low | 120 Ų | 120 | 160.9 Ų | 160.9 | 84% | 0.839 | 88% | 0.879 | S | S | * | * | trans | -150.2 | 109.1 | 152.6 | 52 | 0 | 0 | 0 | 0 | 111 | ||||
| 5 | A | 44.4 | Very low | 54 | Low | 100 Ų | 100 | 157.1 Ų | 157.1 | 83% | 0.826 | 86% | 0.857 | S | S | * | * | trans | -78.7 | 123.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K7 | A5-K7 PolarHBondContact O-N 3.17Š| ||
| 6 | K | 48 | Very low | 55.2 | Low | 208 Ų | 208 | 153.4 Ų | 153.4 | 90% | 0.904 | 84% | 0.84 | S | S | * | * | trans | -67.1 | 95.9 | 173.8 | -73.3 | 178 | 176.5 | 174.5 | 0 | 110.5 | K8 | K6-K8 PolarHBondContact O-N 3.47Š| ||
| 7 | K | 55.4 | Low | 56.1 | Low | 199 Ų | 199 | 152.2 Ų | 152.2 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | trans | -58.5 | 116.8 | 166.7 | -98.7 | 175.9 | 169.8 | 172.3 | 0 | 109 | A5 | A5-K7 PolarHBondContact O-N 3.17Š| ||
| 8 | K | 53.3 | Low | 57 | Low | 200 Ų | 200 | 151.1 Ų | 151.1 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -69.9 | 128 | 169.2 | -72.7 | -177.9 | 177.9 | 178.1 | 0 | 109 | K6 K10 | K6-K8 PolarHBondContact O-N 3.47Å; K8-K10 PolarHBondContact O-N 3.06Å; K8-K10 VanDerWaalsContact O-N 3.08Å | ||
| 9 | N | 55.8 | Low | 57.7 | Low | 158 Ų | 158 | 148 Ų | 148 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -62.8 | 108.6 | 174.9 | -67.3 | -17.6 | 0 | 0 | 0 | 110.3 | K11 | N9-K11 PolarHBondContact O-N 2.9Š| ||
| 10 | K | 57 | Low | 58.2 | Low | 207 Ų | 207 | 148.3 Ų | 148.3 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | trans | -74 | 104.7 | 161 | -79.8 | -178.3 | 175.8 | 179.1 | 0 | 107.2 | K8 G12 | K8-K10 PolarHBondContact O-N 3.06Å; K8-K10 VanDerWaalsContact O-N 3.08Å; K10-G12 PolarHBondContact O-N 3.07Å | ||
| 11 | K | 59.9 | Low | 59 | Low | 198 Ų | 198 | 147.2 Ų | 147.2 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 129.1 | 164.5 | -66.8 | 178.6 | 177.1 | -178.5 | 0 | 107.6 | N9 K13 | N9-K11 PolarHBondContact O-N 2.9Å; K11-K13 PolarHBondContact O-N 3.09Å |
| 12 | G | 65.1 | Low | 60.3 | Low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 132.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | K10 T14 | K10-G12 PolarHBondContact O-N 3.07Å; G12-T14 PolarHBondContact O-N 3.45Å |
| 13 | K | 71.1 | Confident | 61.1 | Low | 193 Ų | 193 | 142.4 Ų | 142.4 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 123.1 | 169.4 | -74.2 | -179.3 | 175.1 | -177.5 | 0 | 107.4 | K11 L15 | K11-K13 PolarHBondContact O-N 3.09Å; K13-L15 PolarHBondContact O-N 3.18Å; K13-L15 VanDerWaalsContact O-N 3.13Å |
| 14 | T | 66.9 | Low | 61.7 | Low | 140 Ų | 140 | 145 Ų | 145 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | -71.8 | 100.3 | 168.5 | 48.2 | 0 | 0 | 0 | 0 | 108.4 | G12 | G12-T14 PolarHBondContact O-N 3.45Š| ||
| 15 | L | 73.2 | Confident | 62.1 | Low | 105 Ų | 105 | 142.8 Ų | 142.8 | 55% | 0.55 | 76% | 0.758 | S | S | . | * | trans | -72.8 | 146.8 | 170.5 | -61.6 | 175.5 | 0 | 0 | 0 | 109.4 | K13 D19 | K13-L15 PolarHBondContact O-N 3.18Å; K13-L15 VanDerWaalsContact O-N 3.13Å; L15-D19 WeakPolarHBondContact CD2-OD2 3.42Å | ||
| 16 | T | 73.3 | Confident | 61.9 | Low | 97 Ų | 97 | 141.9 Ų | 141.9 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | trans | -84.8 | 156.3 | 173 | 68 | 0 | 0 | 0 | 0 | 109.6 | N18 D19 F20 | T16-N18 PolarHBondContact O-N 3.08Å; T16-N18 VanDerWaalsContact O-N 3.11Å; T16-D19 WeakPolarHBondContact O-CB 3.3Å; T16-D19 PolarHBondContact O-N 2.77Å; T16-F20 PolarHBondContact O-N 3.5Å | ||
| 17 | L | 70.8 | Confident | 61.7 | Low | 134 Ų | 134 | 136 Ų | 136 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -59.5 | -28.5 | -172.7 | -143.7 | 154.7 | 0 | 0 | 0 | 112.7 | L21 | L17-L21 HydrophobicContact CD2-CD1 3.7Å; L17-L21 HydrophobicContact CD2-CG 4.27Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.04Å |
| 18 | N | 71.8 | Confident | 60.6 | Low | 131 Ų | 131 | 129.8 Ų | 129.8 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -73.2 | -26.8 | 176.2 | -69.3 | 13.6 | 0 | 0 | 0 | 113.9 | T16 A22 | T16-N18 PolarHBondContact O-N 3.08Å; T16-N18 VanDerWaalsContact O-N 3.11Å; N18-A22 WeakPolarHBondContact O-CB 3.1Å; N18-A22 PolarHBondContact O-N 2.87Å |
| 19 | D | 70 | Confident | 59.9 | Low | 93 Ų | 93 | 127.1 Ų | 127.1 | 50% | 0.497 | 75% | 0.75 | S | S | . | * | H | α-helix | trans | -78 | -37.1 | -180 | -149 | 25 | 0 | 0 | 0 | 110.2 | L15 T16 A22 | L15-D19 WeakPolarHBondContact CD2-OD2 3.42Å; T16-D19 WeakPolarHBondContact O-CB 3.3Å; T16-D19 PolarHBondContact O-N 2.77Å; D19-A22 PolarHBondContact O-N 2.85Å |
| 20 | F | 68.7 | Low | 59.6 | Low | 154 Ų | 154 | 125.5 Ų | 125.5 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -69.2 | -31.2 | 174.8 | -165.2 | -97.3 | 0 | 0 | 0 | 113.1 | T16 A22 | T16-F20 PolarHBondContact O-N 3.5Å; F20-A22 VanDerWaalsContact C-N 3.31Å |
| 21 | L | 74.8 | Confident | 58.6 | Low | 125 Ų | 125 | 120.5 Ų | 120.5 | 65% | 0.654 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -79.5 | -10.5 | 174.9 | -72.8 | 171.3 | 0 | 0 | 0 | 113.8 | L17 | L17-L21 HydrophobicContact CD2-CD1 3.7Å; L17-L21 HydrophobicContact CD2-CG 4.27Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.04Å |
| 22 | A | 63.8 | Low | 58.2 | Low | 72 Ų | 72 | 116.8 Ų | 116.8 | 60% | 0.595 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -94.1 | -25.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N18 D19 F20 | N18-A22 WeakPolarHBondContact O-CB 3.1Å; N18-A22 PolarHBondContact O-N 2.87Å; D19-A22 PolarHBondContact O-N 2.85Å; F20-A22 VanDerWaalsContact C-N 3.31Å |
| 23 | E | 55.3 | Low | 57.2 | Low | 182 Ų | 182 | 117.8 Ų | 117.8 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -84.7 | -26.8 | -177.4 | -111.4 | -164.8 | 160.4 | 0 | 0 | 114.7 | G25 | E23-G25 PolarHBondContact O-N 3.08Å |
| 24 | D | 54.8 | Low | 55.9 | Low | 158 Ų | 158 | 118.6 Ų | 118.6 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -83.4 | 7.7 | -174.8 | -138.4 | -108.8 | 0 | 0 | 0 | 113.9 | ||
| 25 | G | 51.1 | Low | 54.9 | Low | 73 Ų | 73 | 116.8 Ų | 116.8 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | -117.6 | 44.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E23 | E23-G25 PolarHBondContact O-N 3.08Š| ||
| 26 | G | 39 | Very low | 53.8 | Low | 81 Ų | 81 | 118 Ų | 118 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | -142 | 43.4 | -161 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 27 | G | 44.8 | Very low | 52.5 | Low | 84 Ų | 84 | 122.8 Ų | 122.8 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 154.8 | 100.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 28 | G | 33.2 | Very low | 51.5 | Low | 69 Ų | 69 | 121.8 Ų | 121.8 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | 140.4 | 56.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 29 | T | 38 | Very low | 50.2 | Low | 145 Ų | 145 | 122 Ų | 122 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | 58.3 | 177.4 | 155.3 | 67.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 30 | P | 49.1 | Very low | 49.5 | Very low | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | -120.6 | 145.5 | -91.4 | 35.3 | -19.1 | 0 | 0 | 0 | 115.1 | |||||
| 31 | A | 35.8 | Very low | 48.7 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -150.1 | 130.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 32 | P | 52.3 | Low | 47.4 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -119.3 | 137.7 | 171.3 | 36.3 | -25.1 | 0 | 0 | 0 | 115.4 | ||||
| 33 | S | 43.5 | Very low | 46.7 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | trans | 68.9 | 147.6 | 157.7 | -144.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 34 | Y | 43.3 | Very low | 46.5 | Very low | 211 Ų | 211 | 128.1 Ų | 128.1 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | cis | -145.9 | -153.8 | 25.5 | -72.2 | -95.2 | 0 | 0 | 0 | 111.4 | ||||
| 35 | P | 45.8 | Very low | 46.3 | Very low | 102 Ų | 102 | 126 Ų | 126 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | -128.1 | 169.8 | -87.2 | 41.2 | -25 | 0 | 0 | 0 | 115.3 | |||||
| 36 | P | 50.3 | Low | 46.4 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -94.3 | 140.3 | 168.2 | 34.7 | -31.1 | 0 | 0 | 0 | 114.3 | ||||
| 37 | K | 46.7 | Very low | 46.9 | Very low | 199 Ų | 199 | 132.9 Ų | 132.9 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -108 | 162.1 | 159.1 | -58 | 175.7 | -179.2 | 175.7 | 0 | 107.1 | ||||
| 38 | S | 48.5 | Very low | 47.1 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | cis | -154.3 | 142.3 | 15 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 39 | T | 46.2 | Very low | 47.9 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -79.1 | 137.2 | 166.1 | -74.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 40 | S | 53.6 | Low | 48.4 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -70.5 | 138.4 | 175.1 | -174 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 41 | W | 53.5 | Low | 48.2 | Very low | 252 Ų | 252 | 138.3 Ų | 138.3 | 96% | 0.955 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -96.1 | 13.8 | -172.3 | -122.4 | 71.5 | 0 | 0 | 0 | 113.9 | ||
| 42 | A | 46.3 | Very low | 48.1 | Very low | 76 Ų | 76 | 140.3 Ų | 140.3 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -127.4 | 13.3 | -158.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 43 | D | 50 | Low | 47.6 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -124.3 | 9.9 | -171.4 | -146.4 | 60.9 | 0 | 0 | 0 | 113 | ||
| 44 | E | 50.3 | Low | 47.7 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -128.9 | 14.7 | -175.1 | -147.4 | -178.2 | 147.5 | 0 | 0 | 113.2 | ||
| 45 | T | 51.9 | Low | 47.6 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -117.3 | -0.8 | -178.5 | 53.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 46 | D | 53.3 | Low | 47.5 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -98.1 | -14.9 | -176.7 | -138.4 | -121.4 | 0 | 0 | 0 | 113.1 | ||
| 47 | D | 49 | Very low | 47.2 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 21.8 | -173.6 | -84 | -64.7 | 0 | 0 | 0 | 114.7 | ||
| 48 | L | 49.1 | Very low | 47.1 | Very low | 149 Ų | 149 | 140 Ų | 140 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 12.8 | -177.3 | -77.5 | 175.8 | 0 | 0 | 0 | 115.9 | G50 | L48-G50 VanDerWaalsContact C-N 3.3Å; L48-G50 PolarHBondContact O-N 3.14Å |
| 49 | D | 49.8 | Very low | 46.8 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -92.4 | 34.6 | 176.5 | -92.5 | -76.2 | 0 | 0 | 0 | 113.8 | ||
| 50 | G | 48.8 | Very low | 46.9 | Very low | 50 Ų | 50 | 144.7 Ų | 144.7 | 52% | 0.515 | 78% | 0.781 | S | S | . | * | S | Bend | trans | -141.7 | 123.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L48 | L48-G50 VanDerWaalsContact C-N 3.3Å; L48-G50 PolarHBondContact O-N 3.14Å |
| 51 | D | 43.4 | Very low | 46.6 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 69.7 | 28.3 | 159 | -51.6 | -30.7 | 0 | 0 | 0 | 119.8 | ||
| 52 | V | 35.4 | Very low | 46.7 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | trans | -102.8 | 75.3 | 156.5 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | T54 | V52-T54 PolarHBondContact O-N 3.28Š| ||
| 53 | A | 41.5 | Very low | 47 | Very low | 83 Ų | 83 | 145.1 Ų | 145.1 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | -71.7 | 124 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S55 | A53-S55 PolarHBondContact O-N 2.91Å; A53-S55 VanDerWaalsContact O-N 3.15Å | ||
| 54 | T | 44.2 | Very low | 47.3 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -20.5 | 106 | 155.2 | 47.3 | 0 | 0 | 0 | 0 | 115 | V52 | V52-T54 PolarHBondContact O-N 3.28Š| ||
| 55 | S | 41.3 | Very low | 47.5 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -149.4 | 60.4 | 166.8 | -163.8 | 0 | 0 | 0 | 0 | 112 | A53 | A53-S55 PolarHBondContact O-N 2.91Å; A53-S55 VanDerWaalsContact O-N 3.15Å | ||
| 56 | W | 45 | Very low | 47.9 | Very low | 248 Ų | 248 | 143 Ų | 143 | 94% | 0.939 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -144.3 | 32.3 | 163.5 | -79 | 113.2 | 0 | 0 | 0 | 111.8 | ||
| 57 | H | 42.6 | Very low | 48.2 | Very low | 168 Ų | 168 | 142 Ų | 142 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | trans | -130.5 | 104.2 | 162.3 | -73.9 | -58.8 | 0 | 0 | 0 | 108 | ||||
| 58 | T | 44.6 | Very low | 48.6 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | trans | -63.4 | 142.3 | 164.9 | -41.7 | 0 | 0 | 0 | 0 | 108.1 | E60 D61 | T58-E60 PolarHBondContact O-N 3.42Å; T58-D61 PolarHBondContact O-N 2.89Å; T58-D61 VanDerWaalsContact O-N 3.15Å | ||
| 59 | E | 43.3 | Very low | 48.8 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -52 | -26 | -173.6 | 60.1 | -157.5 | 144.5 | 0 | 0 | 115.1 | T62 | E59-T62 PolarHBondContact O-OG1 3.3Š|
| 60 | E | 48.7 | Very low | 49.2 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -69.8 | -27.9 | -178.7 | -166.7 | 164.4 | -153.4 | 0 | 0 | 115 | T58 T62 | T58-E60 PolarHBondContact O-N 3.42Å; E60-T62 VanDerWaalsContact C-N 3.3Å; E60-T62 PolarHBondContact O-N 3.18Å |
| 61 | D | 47.6 | Very low | 49.6 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 51% | 0.508 | 75% | 0.749 | S | S | . | * | G | 310 helix | trans | -79 | -14.4 | -174.8 | -129.8 | -27 | 0 | 0 | 0 | 113.3 | T58 Y63 R64 | T58-D61 PolarHBondContact O-N 2.89Å; T58-D61 VanDerWaalsContact O-N 3.15Å; D61-Y63 PolarHBondContact O-N 2.97Å; D61-R64 PolarHBondContact O-N 2.82Å; D61-R64 VanDerWaalsContact O-N 3.09Å |
| 62 | T | 54.7 | Low | 50.3 | Low | 108 Ų | 108 | 141.7 Ų | 141.7 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -61.7 | -17.8 | -176.7 | -34.5 | 0 | 0 | 0 | 0 | 113.8 | E59 E60 | E59-T62 PolarHBondContact O-OG1 3.3Å; E60-T62 VanDerWaalsContact C-N 3.3Å; E60-T62 PolarHBondContact O-N 3.18Å |
| 63 | Y | 52.4 | Low | 51.3 | Low | 230 Ų | 230 | 139.2 Ų | 139.2 | 90% | 0.902 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -97.8 | -7.8 | 179.3 | -98 | -92.2 | 0 | 0 | 0 | 114.6 | D61 | D61-Y63 PolarHBondContact O-N 2.97Š|
| 64 | R | 57.2 | Low | 52 | Low | 218 Ų | 218 | 140.1 Ų | 140.1 | 82% | 0.823 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -19.9 | -169.1 | -170.4 | 164.8 | -117 | -94.3 | -0.3 | 115 | D61 | D61-R64 PolarHBondContact O-N 2.82Å; D61-R64 VanDerWaalsContact O-N 3.09Å |
| 65 | A | 54 | Low | 52.5 | Low | 67 Ų | 67 | 139.5 Ų | 139.5 | 55% | 0.554 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -135.8 | 139 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 66 | P | 59.4 | Low | 52.8 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | trans | -63.8 | 145.4 | 172 | 28.3 | -34 | 0 | 0 | 0 | 110.2 | I68 | P66-I68 PolarHBondContact O-N 3.39Š| ||
| 67 | P | 60.4 | Low | 53.2 | Low | 128 Ų | 128 | 129.6 Ų | 129.6 | 83% | 0.831 | 69% | 0.686 | S | S | * | * | trans | -60.6 | 125.3 | -179.5 | 24.8 | -33.8 | 0 | 0 | 0 | 110.5 | D69 | P67-D69 PolarHBondContact O-N 3.45Å; P67-D69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | I | 57.9 | Low | 53.6 | Low | 139 Ų | 139 | 133.2 Ų | 133.2 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | -69.7 | 111.1 | -178.3 | -59.5 | 171.8 | 0 | 0 | 0 | 108.9 | P66 R70 | P66-I68 PolarHBondContact O-N 3.39Å; I68-R70 PolarHBondContact O-N 2.88Å; I68-R70 VanDerWaalsContact O-N 3.09Å | ||
| 69 | D | 53.5 | Low | 53.9 | Low | 96 Ų | 96 | 134 Ų | 134 | 51% | 0.513 | 70% | 0.702 | S | S | . | * | trans | -70.3 | 106.5 | 179.6 | -161.8 | -28.6 | 0 | 0 | 0 | 110.7 | P67 S71 I72 | P67-D69 PolarHBondContact O-N 3.45Å; P67-D69 VanDerWaalsContact O-N 3.14Å; D69-S71 PolarHBondContact O-N 2.87Å; D69-S71 VanDerWaalsContact O-N 3.11Å; D69-S71 WeakPolarHBondContact OD1-CB 3.5Å; D69-S71 PolarHBondContact OD1-N 3.2Å; D69-S71 VanDerWaalsContact OD1-N 3.12Å; D69-S71 PolarHBondContact OD1-OG 3.27Å; D69-I72 HydrophobicContact CB-CD1 4.1Å; D69-I72 HydrophobicContact CB-CG1 4.31Å; D69-I72 PolarHBondContact O-N 3.19Å; D69-I72 VanDerWaalsContact O-N 3.1Å | ||
| 70 | R | 56.3 | Low | 54.1 | Low | 213 Ų | 213 | 129 Ų | 129 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -64.3 | -13.1 | -177.3 | -78.4 | 175.2 | 152.9 | 175.9 | -7.9 | 113.4 | I68 I72 L73 | I68-R70 PolarHBondContact O-N 2.88Å; I68-R70 VanDerWaalsContact O-N 3.09Å; R70-I72 VanDerWaalsContact C-N 3.25Å; R70-I72 PolarHBondContact O-N 2.94Å; R70-L73 HydrophobicContact CG-CD1 4.39Å |
| 71 | S | 57.8 | Low | 54.1 | Low | 96 Ų | 96 | 127 Ų | 127 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -70.3 | -18.1 | 173 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | D69 | D69-S71 PolarHBondContact O-N 2.87Å; D69-S71 VanDerWaalsContact O-N 3.11Å; D69-S71 WeakPolarHBondContact OD1-CB 3.5Å; D69-S71 PolarHBondContact OD1-N 3.2Å; D69-S71 VanDerWaalsContact OD1-N 3.12Å; D69-S71 PolarHBondContact OD1-OG 3.27Å |
| 72 | I | 58 | Low | 54.1 | Low | 137 Ų | 137 | 130.5 Ų | 130.5 | 70% | 0.703 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -98.1 | -6.3 | -175.8 | -50.7 | 178.7 | 0 | 0 | 0 | 111.7 | D69 R70 | D69-I72 HydrophobicContact CB-CD1 4.1Å; D69-I72 HydrophobicContact CB-CG1 4.31Å; D69-I72 PolarHBondContact O-N 3.19Å; D69-I72 VanDerWaalsContact O-N 3.1Å; R70-I72 VanDerWaalsContact C-N 3.25Å; R70-I72 PolarHBondContact O-N 2.94Å |
| 73 | L | 57.2 | Low | 54.1 | Low | 91 Ų | 91 | 129.4 Ų | 129.4 | 48% | 0.476 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -78.4 | 133.5 | 177.3 | -64.4 | 178.5 | 0 | 0 | 0 | 111.2 | R70 T75 | R70-L73 HydrophobicContact CG-CD1 4.39Å; L73-T75 VanDerWaalsContact C-N 3.28Å; L73-T75 PolarHBondContact O-N 3.15Å; L73-T75 PolarHBondContact O-OG1 3.38Å; L73-T75 VanDerWaalsContact O-OG1 3.06Å |
| 74 | P | 56.9 | Low | 53.9 | Low | 101 Ų | 101 | 123.8 Ų | 123.8 | 66% | 0.656 | 67% | 0.669 | S | S | * | * | trans | -73.4 | 80.4 | -176.6 | 31.1 | -36 | 0 | 0 | 0 | 111.2 | A76 | P74-A76 PolarHBondContact O-N 3.29Š| ||
| 75 | T | 52.8 | Low | 53.8 | Low | 128 Ų | 128 | 114.9 Ų | 114.9 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | trans | -85 | 21.3 | -175.2 | -49.7 | 0 | 0 | 0 | 0 | 112.5 | L73 | L73-T75 VanDerWaalsContact C-N 3.28Å; L73-T75 PolarHBondContact O-N 3.15Å; L73-T75 PolarHBondContact O-OG1 3.38Å; L73-T75 VanDerWaalsContact O-OG1 3.06Å | ||
| 76 | A | 48.4 | Very low | 53.6 | Low | 57 Ų | 57 | 116.6 Ų | 116.6 | 47% | 0.471 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -91.9 | 133.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | P74 | P74-A76 PolarHBondContact O-N 3.29Š|
| 77 | P | 53.8 | Low | 53.1 | Low | 85 Ų | 85 | 121.3 Ų | 121.3 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | trans | -58.9 | 147 | 173.2 | 25.9 | -33.3 | 0 | 0 | 0 | 109.6 | S79 A80 R81 | P77-S79 PolarHBondContact O-N 2.91Å; P77-A80 HydrophobicContact CG-CB 3.87Å; P77-A80 PolarHBondContact O-N 2.89Å; P77-R81 PolarHBondContact O-N 3.44Å | ||
| 78 | R | 50.8 | Low | 52.6 | Low | 244 Ų | 244 | 120.9 Ų | 120.9 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -19.9 | -175 | -74.7 | -179 | 171.8 | 179.4 | -3.4 | 114.8 | ||
| 79 | S | 51.3 | Low | 52.4 | Low | 121 Ų | 121 | 121.8 Ų | 121.8 | 85% | 0.846 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -17.4 | 176.1 | 17.7 | 0 | 0 | 0 | 0 | 115.1 | P77 | P77-S79 PolarHBondContact O-N 2.91Š|
| 80 | A | 47.3 | Very low | 52.4 | Low | 69 Ų | 69 | 118.2 Ų | 118.2 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -9.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P77 E82 | P77-A80 HydrophobicContact CG-CB 3.87Å; P77-A80 PolarHBondContact O-N 2.89Å; A80-E82 PolarHBondContact O-N 3.08Å; A80-E82 VanDerWaalsContact O-N 3.16Å |
| 81 | R | 47.8 | Very low | 52.3 | Low | 131 Ų | 131 | 109.7 Ų | 109.7 | 49% | 0.494 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -67.3 | 108 | 161.3 | -175.2 | 168.6 | -173.9 | 166.8 | -0.2 | 107 | P77 N84 | P77-R81 PolarHBondContact O-N 3.44Å; R81-N84 PolarHBondContact NE-OD1 3.34Å; R81-N84 PolarHBondContact NH2-ND2 3.36Å |
| 82 | E | 47.2 | Very low | 51.9 | Low | 168 Ų | 168 | 115 Ų | 115 | 79% | 0.785 | 59% | 0.59 | S | S | * | * | trans | -45.1 | 134.3 | 160.5 | -66.1 | -170 | 155.1 | 0 | 0 | 107.3 | A80 N84 | A80-E82 PolarHBondContact O-N 3.08Å; A80-E82 VanDerWaalsContact O-N 3.16Å; E82-N84 PolarHBondContact O-N 3.03Å | ||
| 83 | P | 56.5 | Low | 51.4 | Low | 84 Ų | 84 | 110.9 Ų | 110.9 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | trans | -56.3 | 124.7 | -179 | 25.9 | -34.4 | 0 | 0 | 0 | 107 | I85 | P83-I85 HydrophobicContact CB-CD1 4.18Å; P83-I85 HydrophobicContact CB-CG1 3.84Å; P83-I85 HydrophobicContact CG-CD1 3.71Å; P83-I85 HydrophobicContact CG-CG1 3.9Å; P83-I85 PolarHBondContact O-N 2.97Å | ||
| 84 | N | 48.3 | Very low | 51.1 | Low | 112 Ų | 112 | 111.2 Ų | 111.2 | 60% | 0.599 | 58% | 0.581 | S | S | * | * | trans | -68.2 | 72.6 | 172.1 | -86.8 | 29.7 | 0 | 0 | 0 | 107.3 | R81 E82 E86 | R81-N84 PolarHBondContact NE-OD1 3.34Å; R81-N84 PolarHBondContact NH2-ND2 3.36Å; E82-N84 PolarHBondContact O-N 3.03Å; N84-E86 PolarHBondContact O-N 3.09Å | ||
| 85 | I | 54.9 | Low | 51.1 | Low | 31 Ų | 31 | 107.8 Ų | 107.8 | 16% | 0.159 | 56% | 0.559 | C | S | . | * | trans | -74.8 | 89.5 | 172.3 | -59.8 | 173.4 | 0 | 0 | 0 | 104.1 | P83 R87 L151 L154 | P83-I85 HydrophobicContact CB-CD1 4.18Å; P83-I85 HydrophobicContact CB-CG1 3.84Å; P83-I85 HydrophobicContact CG-CD1 3.71Å; P83-I85 HydrophobicContact CG-CG1 3.9Å; P83-I85 PolarHBondContact O-N 2.97Å; I85-R87 PolarHBondContact O-N 3.04Å; I85-L151 HydrophobicContact CD1-CG 3.91Å; I85-L151 HydrophobicContact CG2-CD1 4.34Å; I85-L151 HydrophobicContact CG2-CG 4.44Å; I85-L154 HydrophobicContact CB-CD1 4.5Å; I85-L154 HydrophobicContact CD1-CB 3.7Å; I85-L154 HydrophobicContact CD1-CD1 3.85Å; I85-L154 HydrophobicContact CD1-CG 4.43Å; I85-L154 HydrophobicContact CG1-CB 4.42Å; I85-L154 HydrophobicContact CG1-CD1 3.94Å; I85-L154 HydrophobicContact CG2-CD1 3.77Å | ||
| 86 | E | 48.4 | Very low | 51.7 | Low | 103 Ų | 103 | 102.8 Ų | 102.8 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | trans | -57.1 | 104.3 | 175.7 | -71.6 | 175.5 | 156.4 | 0 | 0 | 108.3 | N84 S88 R89 | N84-E86 PolarHBondContact O-N 3.09Å; E86-S88 PolarHBondContact O-N 3.39Å; E86-R89 HydrophobicContact CB-CB 3.72Å; E86-R89 PolarHBondContact O-N 2.89Å; E86-R89 WeakPolarHBondContact OE2-CD 3.45Å | ||
| 87 | R | 49 | Very low | 53 | Low | 214 Ų | 214 | 101.2 Ų | 101.2 | 81% | 0.808 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -13.7 | 166.4 | -62.2 | 178.2 | 178.7 | -178.6 | -1.4 | 112.2 | I85 | I85-R87 PolarHBondContact O-N 3.04Š|
| 88 | S | 51 | Low | 54.2 | Low | 118 Ų | 118 | 97.2 Ų | 97.2 | 83% | 0.825 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -15.3 | 178.1 | -39.9 | 0 | 0 | 0 | 0 | 114.8 | E86 L90 | E86-S88 PolarHBondContact O-N 3.39Å; S88-L90 PolarHBondContact O-N 3.15Å |
| 89 | R | 52.6 | Low | 55.8 | Low | 158 Ų | 158 | 88.4 Ų | 88.4 | 60% | 0.596 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -94.5 | 20.3 | 177.5 | -164.6 | 168.9 | 175.4 | 162.5 | -1.4 | 112.2 | E86 | E86-R89 HydrophobicContact CB-CB 3.72Å; E86-R89 PolarHBondContact O-N 2.89Å; E86-R89 WeakPolarHBondContact OE2-CD 3.45Å |
| 90 | L | 54 | Low | 57.3 | Low | 22 Ų | 22 | 82.7 Ų | 82.7 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -109.7 | 108.2 | -178.4 | -59.4 | 178.8 | 0 | 0 | 0 | 106.8 | S88 R92 Y96 L147 L150 I170 | S88-L90 PolarHBondContact O-N 3.15Å; L90-R92 PolarHBondContact O-N 3.31Å; L90-Y96 HydrophobicContact CB-CE1 4.34Å; L90-L147 HydrophobicContact CB-CD2 3.77Å; L90-L147 HydrophobicContact CD1-CD2 3.48Å; L90-L147 VanDerWaalsContact CD1-CD2 3.48Å; L90-L147 HydrophobicContact CG-CD2 4.17Å; L90-L150 HydrophobicContact CD2-CD2 3.37Å; L90-I170 HydrophobicContact CD2-CD1 3.99Å; L90-I170 HydrophobicContact CD2-CG2 4.33Å |
| 91 | P | 54.5 | Low | 59 | Low | 33 Ų | 33 | 79.6 Ų | 79.6 | 21% | 0.214 | 39% | 0.387 | C | S | . | . | trans | -58.6 | 116.8 | 173.7 | 26.3 | -36.1 | 0 | 0 | 0 | 108.2 | S93 Y96 D172 Q173 | P91-S93 PolarHBondContact O-N 3.48Å; P91-Y96 WeakPolarHBondContact O-CE1 3.3Å; P91-D172 WeakPolarHBondContact CG-OD1 3.31Å; P91-Q173 HydrophobicContact CG-CG 3.88Å | ||
| 92 | R | 50 | Low | 60.6 | Low | 208 Ų | 208 | 76.1 Ų | 76.1 | 79% | 0.785 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -73.4 | 31.3 | -173.4 | -162.7 | 70.4 | 175.6 | -171.1 | 2.1 | 113.1 | L90 | L90-R92 PolarHBondContact O-N 3.31Š|
| 93 | S | 45.9 | Very low | 62.1 | Low | 50 Ų | 50 | 68.3 Ų | 68.3 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -130.4 | 132.1 | 175.2 | 52.8 | 0 | 0 | 0 | 0 | 108.4 | P91 Q173 | P91-S93 PolarHBondContact O-N 3.48Å; S93-Q173 PolarHBondContact O-NE2 2.94Å |
| 94 | P | 51.9 | Low | 63.1 | Low | 98 Ų | 98 | 64.4 Ų | 64.4 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -61.2 | 144.3 | 176.5 | 28.3 | -34.8 | 0 | 0 | 0 | 110 | ||
| 95 | P | 56 | Low | 64.2 | Low | 30 Ų | 30 | 63.8 Ų | 63.8 | 20% | 0.195 | 31% | 0.307 | C | S | . | . | cis | -113.8 | 152.8 | 8.2 | 40.5 | -32.3 | 0 | 0 | 0 | 115 | T97 E143 Q173 | P95-T97 PolarHBondContact O-N 3.35Å; P95-E143 HydrophobicContact CB-CG 3.36Å; P95-E143 VanDerWaalsContact CB-OE1 3.27Å; P95-E143 WeakPolarHBondContact CB-OE1 3.35Å; P95-E143 HydrophobicContact CG-CG 3.57Å; P95-E143 WeakPolarHBondContact CG-OE1 3.32Å; P95-Q173 PolarHBondContact O-NE2 3.42Å | ||
| 96 | Y | 66.1 | Low | 65 | Low | 22 Ų | 22 | 68.7 Ų | 68.7 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 93.9 | -178.9 | -55.3 | -75.6 | 0 | 0 | 0 | 111.4 | L90 P91 F144 D145 L147 | L90-Y96 HydrophobicContact CB-CE1 4.34Å; P91-Y96 WeakPolarHBondContact O-CE1 3.3Å; Y96-F144 WeakPolarHBondContact CA-O 3.41Å; Y96-F144 WeakPolarHBondContact CB-O 3.18Å; Y96-F144 WeakPolarHBondContact CD2-O 3.46Å; Y96-F144 PolarHBondContact N-O 3.4Å; Y96-F144 PolarHBondContact O-N 2.92Å; Y96-D145 WeakPolarHBondContact CE2-O 3.45Å; Y96-L147 HydrophobicContact CD1-CD2 3.99Å; Y96-L147 HydrophobicContact CE1-CD2 3.28Å; Y96-L147 HydrophobicContact CE1-CG 4.05Å; Y96-L147 HydrophobicContact CE2-CD2 4.05Å; Y96-L147 HydrophobicContact CE2-CG 3.89Å; Y96-L147 WeakPolarHBondContact OH-CD2 3.5Å |
| 97 | T | 74.9 | Confident | 66.3 | Low | 25 Ų | 25 | 64.1 Ų | 64.1 | 15% | 0.153 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 132.1 | 175.8 | 53 | 0 | 0 | 0 | 0 | 112.3 | P95 E143 A171 | P95-T97 PolarHBondContact O-N 3.35Å; T97-E143 HydrophobicContact CG2-CB 4.1Å; T97-E143 HydrophobicContact CG2-CG 4Å; T97-A171 CarbonylContact O-C 3.53Å; T97-A171 WeakPolarHBondContact O-CA 3.39Å; T97-A171 WeakPolarHBondContact O-CB 3.24Å; T97-A171 PolarHBondContact O-N 3.48Å; T97-A171 WeakPolarHBondContact OG1-CB 3.37Å; T97-A171 PolarHBondContact OG1-O 3.42Å |
| 98 | A | 80.6 | Confident | 67.7 | Low | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y141 A142 F144 L150 V168 D169 | A98-Y141 WeakPolarHBondContact O-CA 3.48Å; A98-A142 PolarHBondContact N-O 3.06Å; A98-A142 PolarHBondContact O-N 2.77Å; A98-F144 HydrophobicContact CB-CD2 4.05Å; A98-F144 HydrophobicContact CB-CE2 3.64Å; A98-L150 HydrophobicContact CB-CD1 3.73Å; A98-V168 HydrophobicContact CB-CG1 4.04Å; A98-D169 CarbonylContact C-O 3.53Å; A98-D169 WeakPolarHBondContact CA-O 3.39Å |
| 99 | F | 83.6 | Confident | 69.1 | Low | 59 Ų | 59 | 54.5 Ų | 54.5 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.2 | 169.2 | 179.8 | -112.7 | 0 | 0 | 0 | 110.1 | F139 Y141 V168 D169 A171 | F99-F139 HydrophobicContact CE1-CD1 4.13Å; F99-F139 HydrophobicContact CE1-CE1 4.49Å; F99-F139 HydrophobicContact CE2-CB 4.15Å; F99-F139 AromaticContact CE2-CD1 4Å; F99-F139 HydrophobicContact CE2-CD1 4Å; F99-F139 HydrophobicContact CE2-CG 4.39Å; F99-F139 HydrophobicContact CZ-CB 4.36Å; F99-F139 AromaticContact CZ-CD1 3.34Å; F99-F139 HydrophobicContact CZ-CD1 3.34Å; F99-F139 AromaticContact CZ-CE1 3.94Å; F99-F139 HydrophobicContact CZ-CE1 3.94Å; F99-F139 HydrophobicContact CZ-CG 4.12Å; F99-Y141 HydrophobicContact CD2-CD1 4.06Å; F99-Y141 AromaticContact CD2-CE1 3.64Å; F99-Y141 HydrophobicContact CD2-CE1 3.64Å; F99-Y141 HydrophobicContact CE2-CE1 4.27Å; F99-V168 WeakPolarHBondContact O-CA 3.48Å; F99-D169 HydrophobicContact CB-CB 4.39Å; F99-D169 HydrophobicContact CD1-CB 4.41Å; F99-D169 PolarHBondContact N-O 3.44Å; F99-D169 PolarHBondContact O-N 2.98Å; F99-A171 HydrophobicContact CB-CB 4.18Å |
| 100 | L | 82.6 | Confident | 70.5 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 99.1 | 174.2 | -52.1 | -178.3 | 0 | 0 | 0 | 109.2 | L103 I112 F116 F139 G140 A142 I166 R167 V168 | L100-L103 HydrophobicContact CB-CD1 3.93Å; L100-L103 HydrophobicContact CB-CD2 4.08Å; L100-L103 HydrophobicContact CB-CG 4.03Å; L100-L103 HydrophobicContact CD1-CD1 4.36Å; L100-L103 HydrophobicContact CD1-CD2 4.46Å; L100-I112 HydrophobicContact CD1-CD1 3.96Å; L100-I112 HydrophobicContact CD1-CG1 4.31Å; L100-I112 HydrophobicContact CD1-CG2 4.04Å; L100-F116 HydrophobicContact CD1-CE2 3.97Å; L100-F116 HydrophobicContact CD1-CZ 4.5Å; L100-F116 HydrophobicContact CD2-CE2 3.93Å; L100-F116 HydrophobicContact CD2-CZ 3.65Å; L100-F139 CarbonylContact O-C 3.59Å; L100-F139 VanDerWaalsContact O-CA 3.29Å; L100-F139 WeakPolarHBondContact O-CA 3.42Å; L100-G140 WeakPolarHBondContact CA-O 3.34Å; L100-G140 WeakPolarHBondContact CB-O 3.47Å; L100-G140 PolarHBondContact N-O 2.84Å; L100-G140 PolarHBondContact O-N 2.8Å; L100-A142 HydrophobicContact CD1-CB 3.89Å; L100-A142 HydrophobicContact CD2-CB 4.48Å; L100-A142 HydrophobicContact CG-CB 4.22Å; L100-I166 HydrophobicContact CB-CG2 4.49Å; L100-R167 CarbonylContact C-O 3.58Å; L100-V168 HydrophobicContact CD2-CB 4.47Å; L100-V168 HydrophobicContact CD2-CG1 4.16Å; L100-V168 HydrophobicContact CD2-CG2 3.91Å |
| 101 | G | 83 | Confident | 71.8 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 152.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L103 R167 | G101-L103 VanDerWaalsContact C-N 3.29Å; G101-L103 PolarHBondContact O-N 2.94Å; G101-R167 PolarHBondContact N-O 2.92Å; G101-R167 PolarHBondContact O-N 3.15Å |
| 102 | N | 81.8 | Confident | 73 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 32% | 0.316 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 62.2 | 30.1 | 176 | -164.6 | 46.4 | 0 | 0 | 0 | 114.7 | G138 R164 R165 | N102-G138 WeakPolarHBondContact CA-O 3.45Å; N102-G138 PolarHBondContact N-O 3Å; N102-R164 PolarHBondContact OD1-NE 3.23Å; N102-R164 PolarHBondContact OD1-NH2 3.43Å; N102-R165 PolarHBondContact ND2-O 3.04Å |
| 103 | L | 78.3 | Confident | 74.4 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | trans | -59.3 | 141.4 | 172 | -67 | 178.6 | 0 | 0 | 0 | 110.9 | L100 G101 V107 I112 L126 G138 R164 I166 | L100-L103 HydrophobicContact CB-CD1 3.93Å; L100-L103 HydrophobicContact CB-CD2 4.08Å; L100-L103 HydrophobicContact CB-CG 4.03Å; L100-L103 HydrophobicContact CD1-CD1 4.36Å; L100-L103 HydrophobicContact CD1-CD2 4.46Å; G101-L103 VanDerWaalsContact C-N 3.29Å; G101-L103 PolarHBondContact O-N 2.94Å; L103-V107 HydrophobicContact CD2-CG1 4.44Å; L103-I112 HydrophobicContact CD1-CD1 4.06Å; L103-L126 HydrophobicContact CD1-CD2 3.76Å; L103-G138 PolarHBondContact N-O 3.22Å; L103-G138 WeakPolarHBondContact O-CA 3.39Å; L103-R164 PolarHBondContact O-NH1 3.48Å; L103-I166 HydrophobicContact CD2-CD1 3.57Å; L103-I166 HydrophobicContact CD2-CG1 3.9Å; L103-I166 HydrophobicContact CD2-CG2 4.02Å | ||
| 104 | P | 76.8 | Confident | 76.1 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | trans | -57.4 | 160.7 | 165.8 | -19.2 | 28.1 | 0 | 0 | 0 | 112.8 | D106 V107 L161 R164 | P104-D106 PolarHBondContact O-N 2.94Å; P104-V107 HydrophobicContact CB-CG2 3.93Å; P104-V107 HydrophobicContact CG-CG2 3.66Å; P104-L161 HydrophobicContact CG-CB 3.94Å; P104-L161 WeakPolarHBondContact CG-O 3.41Å; P104-R164 HydrophobicContact CG-CB 4.28Å | ||
| 105 | Y | 71.6 | Confident | 77.2 | Confident | 99 Ų | 99 | 46.4 Ų | 46.4 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -16.1 | 173.8 | -59.2 | -70.4 | 0 | 0 | 0 | 112.7 | R135 L136 | Y105-R135 HydrophobicContact CD1-CG 4.33Å; Y105-R135 HydrophobicContact CE1-CG 4.26Å; Y105-L136 HydrophobicContact CD1-CB 4.48Å; Y105-L136 WeakPolarHBondContact CD1-O 3.48Å; Y105-L136 WeakPolarHBondContact CE1-O 3.34Å; Y105-L136 WeakPolarHBondContact O-CD1 3.27Å; Y105-L136 VanDerWaalsContact O-CG 3.26Å; Y105-L136 WeakPolarHBondContact O-CG 3.41Å |
| 106 | D | 71.6 | Confident | 77.9 | Confident | 133 Ų | 133 | 45.1 Ų | 45.1 | 71% | 0.711 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 3.9 | -176.5 | -42.4 | -61.2 | 0 | 0 | 0 | 113.3 | P104 T108 | P104-D106 PolarHBondContact O-N 2.94Å; D106-T108 PolarHBondContact O-N 2.62Å |
| 107 | V | 77.4 | Confident | 78.2 | Confident | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | trans | -84.1 | 115.2 | -175.1 | 162 | 0 | 0 | 0 | 0 | 111.9 | L103 P104 I112 L136 L161 | L103-V107 HydrophobicContact CD2-CG1 4.44Å; P104-V107 HydrophobicContact CB-CG2 3.93Å; P104-V107 HydrophobicContact CG-CG2 3.66Å; V107-I112 HydrophobicContact CG1-CD1 3.69Å; V107-I112 HydrophobicContact CG1-CG1 3.6Å; V107-L136 WeakPolarHBondContact O-CD1 3.41Å; V107-L161 HydrophobicContact CB-CD1 4.48Å; V107-L161 HydrophobicContact CG1-CD1 4.01Å; V107-L161 HydrophobicContact CG2-CB 3.76Å; V107-L161 HydrophobicContact CG2-CD1 3.55Å; V107-L161 HydrophobicContact CG2-CG 4.28Å | ||
| 108 | T | 77.9 | Confident | 77.6 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 31% | 0.307 | 29% | 0.291 | S | S | . | . | trans | -84 | 167.8 | 170.1 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | D106 E110 S111 I112 | D106-T108 PolarHBondContact O-N 2.62Å; T108-E110 PolarHBondContact O-N 2.95Å; T108-E110 PolarHBondContact OG1-N 3.48Å; T108-S111 PolarHBondContact O-N 3.14Å; T108-S111 PolarHBondContact OG1-N 3.48Å; T108-S111 PolarHBondContact OG1-OG 3.24Å; T108-I112 PolarHBondContact O-N 3.12Å | ||
| 109 | E | 79.9 | Confident | 77.3 | Confident | 79 Ų | 79 | 57.9 Ų | 57.9 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.6 | -33 | 168.9 | 170.2 | 174.6 | 177.3 | 0 | 0 | 112 | I112 K113 V124 L126 | E109-I112 PolarHBondContact O-N 3.12Å; E109-K113 HydrophobicContact CG-CD 4.15Å; E109-K113 WeakPolarHBondContact O-CG 3.3Å; E109-K113 PolarHBondContact O-N 3.3Å; E109-K113 WeakPolarHBondContact OE1-CE 3.2Å; E109-K113 IonicContact OE1-NZ 2.68Å; E109-K113 PolarHBondContact OE1-NZ 3.29Å; E109-V124 HydrophobicContact CG-CB 3.95Å; E109-V124 HydrophobicContact CG-CG1 4.5Å; E109-V124 HydrophobicContact CG-CG2 4.21Å; E109-L126 HydrophobicContact CB-CD1 4.14Å |
| 110 | E | 81.4 | Confident | 76.7 | Confident | 136 Ų | 136 | 57.1 Ų | 57.1 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.5 | -46.8 | 176.3 | -59.5 | 166.6 | 168.4 | 0 | 0 | 111 | T108 I112 K113 D114 | T108-E110 PolarHBondContact O-N 2.95Å; T108-E110 PolarHBondContact OG1-N 3.48Å; E110-I112 PolarHBondContact O-N 3.43Å; E110-K113 CarbonylContact O-C 3.28Å; E110-K113 WeakPolarHBondContact O-CA 3.29Å; E110-K113 WeakPolarHBondContact O-CB 3.44Å; E110-K113 PolarHBondContact O-N 3.01Å; E110-D114 PolarHBondContact O-N 2.81Å |
| 111 | S | 82.6 | Confident | 76.2 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -29.1 | 175.9 | -50.1 | 0 | 0 | 0 | 0 | 112.9 | T108 F115 | T108-S111 PolarHBondContact O-N 3.14Å; T108-S111 PolarHBondContact OG1-N 3.48Å; T108-S111 PolarHBondContact OG1-OG 3.24Å; S111-F115 WeakPolarHBondContact O-CB 3.27Å; S111-F115 PolarHBondContact O-N 3.49Å |
| 112 | I | 78.7 | Confident | 75.8 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.2 | -38.7 | 174.2 | -71.1 | 168 | 0 | 0 | 0 | 110.9 | L100 L103 V107 T108 E109 E110 F115 F116 V124 L126 | L100-I112 HydrophobicContact CD1-CD1 3.96Å; L100-I112 HydrophobicContact CD1-CG1 4.31Å; L100-I112 HydrophobicContact CD1-CG2 4.04Å; L103-I112 HydrophobicContact CD1-CD1 4.06Å; V107-I112 HydrophobicContact CG1-CD1 3.69Å; V107-I112 HydrophobicContact CG1-CG1 3.6Å; T108-I112 PolarHBondContact O-N 3.12Å; E109-I112 PolarHBondContact O-N 3.12Å; E110-I112 PolarHBondContact O-N 3.43Å; I112-F115 PolarHBondContact O-N 3.44Å; I112-F116 HydrophobicContact CG2-CD2 3.6Å; I112-F116 HydrophobicContact CG2-CE2 3.73Å; I112-F116 WeakPolarHBondContact O-CB 3.4Å; I112-F116 VanDerWaalsContact O-CD2 3.24Å; I112-F116 WeakPolarHBondContact O-CD2 3.5Å; I112-F116 PolarHBondContact O-N 2.8Å; I112-V124 HydrophobicContact CB-CG1 4.34Å; I112-V124 HydrophobicContact CD1-CG1 3.85Å; I112-V124 HydrophobicContact CG2-CG1 3.93Å; I112-V124 HydrophobicContact CG2-CG2 3.95Å; I112-L126 HydrophobicContact CD1-CD1 4.09Å; I112-L126 HydrophobicContact CD1-CD2 3.83Å; I112-L126 HydrophobicContact CD1-CG 4.32Å |
| 113 | K | 80.5 | Confident | 75.3 | Confident | 95 Ų | 95 | 60.6 Ų | 60.6 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 172.5 | -72.4 | 167.2 | 179.7 | 172.8 | 0 | 112.1 | E109 E110 F116 R117 I121 | E109-K113 HydrophobicContact CG-CD 4.15Å; E109-K113 WeakPolarHBondContact O-CG 3.3Å; E109-K113 PolarHBondContact O-N 3.3Å; E109-K113 WeakPolarHBondContact OE1-CE 3.2Å; E109-K113 IonicContact OE1-NZ 2.68Å; E109-K113 PolarHBondContact OE1-NZ 3.29Å; E110-K113 CarbonylContact O-C 3.28Å; E110-K113 WeakPolarHBondContact O-CA 3.29Å; E110-K113 WeakPolarHBondContact O-CB 3.44Å; E110-K113 PolarHBondContact O-N 3.01Å; K113-F116 CarbonylContact O-C 3.59Å; K113-F116 VanDerWaalsContact O-C 3.29Å; K113-F116 PolarHBondContact O-N 3.12Å; K113-R117 PolarHBondContact O-N 3.38Å; K113-I121 HydrophobicContact CB-CD1 4.39Å; K113-I121 HydrophobicContact CG-CD1 4.02Å |
| 114 | D | 81.1 | Confident | 75.4 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 60% | 0.599 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -68.7 | -39.4 | 176.4 | -70.7 | -28.3 | 0 | 0 | 0 | 112.3 | E110 R117 | E110-D114 PolarHBondContact O-N 2.81Å; D114-R117 VanDerWaalsContact O-CB 3.31Å; D114-R117 WeakPolarHBondContact O-CB 3.41Å; D114-R117 VanDerWaalsContact O-CD 3.24Å; D114-R117 WeakPolarHBondContact O-CD 3.42Å; D114-R117 WeakPolarHBondContact O-CG 3.43Å; D114-R117 PolarHBondContact O-N 3.22Å |
| 115 | F | 74.1 | Confident | 75.3 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 173.9 | -177.7 | -85.8 | 0 | 0 | 0 | 111.3 | S111 I112 R117 L156 E159 L161 I166 | S111-F115 WeakPolarHBondContact O-CB 3.27Å; S111-F115 PolarHBondContact O-N 3.49Å; I112-F115 PolarHBondContact O-N 3.44Å; F115-R117 VanDerWaalsContact C-N 3.27Å; F115-R117 PolarHBondContact O-N 3.31Å; F115-L156 HydrophobicContact CE1-CB 4.34Å; F115-E159 HydrophobicContact CD2-CG 4.19Å; F115-E159 HydrophobicContact CE2-CB 3.47Å; F115-E159 VanDerWaalsContact CE2-CB 3.47Å; F115-E159 HydrophobicContact CE2-CG 3.52Å; F115-E159 HydrophobicContact CZ-CB 3.73Å; F115-E159 HydrophobicContact CZ-CG 4.26Å; F115-L161 HydrophobicContact CB-CD1 4.48Å; F115-L161 HydrophobicContact CD2-CD1 4.24Å; F115-L161 HydrophobicContact CD2-CD2 3.85Å; F115-L161 HydrophobicContact CD2-CG 3.87Å; F115-L161 HydrophobicContact CE2-CG 4.34Å; F115-I166 HydrophobicContact CD2-CD1 4.31Å; F115-I166 HydrophobicContact CE2-CD1 3.9Å; F115-I166 HydrophobicContact CZ-CD1 4.14Å |
| 116 | F | 70.9 | Confident | 75.5 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 1% | 0.013 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 27.9 | 176.4 | -65 | -47.4 | 0 | 0 | 0 | 113.5 | L100 I112 K113 G118 L119 I121 A142 F144 A153 V168 | L100-F116 HydrophobicContact CD1-CE2 3.97Å; L100-F116 HydrophobicContact CD1-CZ 4.5Å; L100-F116 HydrophobicContact CD2-CE2 3.93Å; L100-F116 HydrophobicContact CD2-CZ 3.65Å; I112-F116 HydrophobicContact CG2-CD2 3.6Å; I112-F116 HydrophobicContact CG2-CE2 3.73Å; I112-F116 WeakPolarHBondContact O-CB 3.4Å; I112-F116 VanDerWaalsContact O-CD2 3.24Å; I112-F116 WeakPolarHBondContact O-CD2 3.5Å; I112-F116 PolarHBondContact O-N 2.8Å; K113-F116 CarbonylContact O-C 3.59Å; K113-F116 VanDerWaalsContact O-C 3.29Å; K113-F116 PolarHBondContact O-N 3.12Å; F116-G118 PolarHBondContact O-N 2.9Å; F116-G118 VanDerWaalsContact O-N 3.16Å; F116-L119 HydrophobicContact CB-CB 4.22Å; F116-L119 HydrophobicContact CB-CD1 3.87Å; F116-L119 HydrophobicContact CB-CG 4.1Å; F116-L119 HydrophobicContact CD1-CD1 3.34Å; F116-L119 HydrophobicContact CD1-CG 4.39Å; F116-L119 HydrophobicContact CE1-CD1 4.17Å; F116-L119 HydrophobicContact CG-CD1 3.9Å; F116-L119 WeakPolarHBondContact O-CB 3.49Å; F116-L119 WeakPolarHBondContact O-CG 3.49Å; F116-L119 PolarHBondContact O-N 3.08Å; F116-I121 HydrophobicContact CB-CD1 3.57Å; F116-I121 HydrophobicContact CB-CG1 4.1Å; F116-I121 HydrophobicContact CD2-CD1 4.23Å; F116-I121 HydrophobicContact CG-CD1 4.38Å; F116-A142 HydrophobicContact CE2-CB 4.01Å; F116-F144 HydrophobicContact CB-CE1 4.21Å; F116-F144 HydrophobicContact CD1-CE1 4.31Å; F116-F144 AromaticContact CD1-CZ 3.97Å; F116-F144 HydrophobicContact CD1-CZ 3.97Å; F116-F144 HydrophobicContact CD2-CE1 4.09Å; F116-F144 AromaticContact CD2-CZ 3.65Å; F116-F144 HydrophobicContact CD2-CZ 3.65Å; F116-F144 AromaticContact CE1-CZ 3.99Å; F116-F144 HydrophobicContact CE1-CZ 3.99Å; F116-F144 HydrophobicContact CE2-CE2 4.5Å; F116-F144 AromaticContact CE2-CZ 3.69Å; F116-F144 HydrophobicContact CE2-CZ 3.69Å; F116-F144 AromaticContact CG-CE1 3.96Å; F116-F144 HydrophobicContact CG-CE1 3.96Å; F116-F144 AromaticContact CG-CZ 3.8Å; F116-F144 HydrophobicContact CG-CZ 3.8Å; F116-F144 AromaticContact CZ-CZ 3.87Å; F116-F144 HydrophobicContact CZ-CZ 3.87Å; F116-A153 HydrophobicContact CD1-CB 4.16Å; F116-A153 HydrophobicContact CE1-CB 3.54Å; F116-A153 HydrophobicContact CZ-CB 4.22Å; F116-V168 HydrophobicContact CZ-CG2 4.4Å |
| 117 | R | 72.5 | Confident | 75.7 | Confident | 208 Ų | 208 | 63 Ų | 63 | 79% | 0.785 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 120.8 | 172.3 | 64.2 | -170.2 | 174.6 | 176 | -3.1 | 110.4 | K113 D114 F115 | K113-R117 PolarHBondContact O-N 3.38Å; D114-R117 VanDerWaalsContact O-CB 3.31Å; D114-R117 WeakPolarHBondContact O-CB 3.41Å; D114-R117 VanDerWaalsContact O-CD 3.24Å; D114-R117 WeakPolarHBondContact O-CD 3.42Å; D114-R117 WeakPolarHBondContact O-CG 3.43Å; D114-R117 PolarHBondContact O-N 3.22Å; F115-R117 VanDerWaalsContact C-N 3.27Å; F115-R117 PolarHBondContact O-N 3.31Å |
| 118 | G | 63.1 | Low | 75.2 | Confident | 82 Ų | 82 | 68.7 Ų | 68.7 | 85% | 0.845 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | 5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F116 | F116-G118 PolarHBondContact O-N 2.9Å; F116-G118 VanDerWaalsContact O-N 3.16Å |
| 119 | L | 73.1 | Confident | 74.4 | Confident | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -113 | 146.4 | 172.7 | -43.2 | -170.4 | 0 | 0 | 0 | 110.3 | F116 I121 F144 S149 R152 A153 | F116-L119 HydrophobicContact CB-CB 4.22Å; F116-L119 HydrophobicContact CB-CD1 3.87Å; F116-L119 HydrophobicContact CB-CG 4.1Å; F116-L119 HydrophobicContact CD1-CD1 3.34Å; F116-L119 HydrophobicContact CD1-CG 4.39Å; F116-L119 HydrophobicContact CE1-CD1 4.17Å; F116-L119 HydrophobicContact CG-CD1 3.9Å; F116-L119 WeakPolarHBondContact O-CB 3.49Å; F116-L119 WeakPolarHBondContact O-CG 3.49Å; F116-L119 PolarHBondContact O-N 3.08Å; L119-I121 PolarHBondContact O-N 3.44Å; L119-F144 HydrophobicContact CB-CD1 4.12Å; L119-F144 HydrophobicContact CB-CE1 3.84Å; L119-F144 HydrophobicContact CD1-CE1 3.8Å; L119-F144 HydrophobicContact CD1-CZ 4.27Å; L119-F144 HydrophobicContact CG-CE1 4.49Å; L119-S149 WeakPolarHBondContact CA-OG 3.48Å; L119-S149 WeakPolarHBondContact CD1-O 3.37Å; L119-R152 HydrophobicContact CD2-CB 3.65Å; L119-R152 HydrophobicContact CD2-CG 3.72Å; L119-A153 HydrophobicContact CD1-CB 3.93Å |
| 120 | A | 72.3 | Confident | 73.2 | Confident | 43 Ų | 43 | 70.6 Ų | 70.6 | 36% | 0.355 | 38% | 0.376 | S | S | . | . | trans | -83.4 | 94.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F144 D145 D146 S149 | A120-F144 CarbonylContact O-C 3.41Å; A120-F144 WeakPolarHBondContact O-CA 3.49Å; A120-F144 WeakPolarHBondContact O-CB 3.36Å; A120-D145 HydrophobicContact CB-CB 4.25Å; A120-D145 PolarHBondContact O-N 3.45Å; A120-D146 HydrophobicContact CB-CB 4.21Å; A120-S149 PolarHBondContact N-OG 3.1Å | ||
| 121 | I | 72.2 | Confident | 71.9 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 20% | 0.2 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.2 | 177 | -49.5 | 165.2 | 0 | 0 | 0 | 109.4 | K113 F116 L119 V124 E143 F144 | K113-I121 HydrophobicContact CB-CD1 4.39Å; K113-I121 HydrophobicContact CG-CD1 4.02Å; F116-I121 HydrophobicContact CB-CD1 3.57Å; F116-I121 HydrophobicContact CB-CG1 4.1Å; F116-I121 HydrophobicContact CD2-CD1 4.23Å; F116-I121 HydrophobicContact CG-CD1 4.38Å; L119-I121 PolarHBondContact O-N 3.44Å; I121-V124 HydrophobicContact CG2-CG2 3.64Å; I121-E143 CarbonylContact C-O 3.42Å; I121-E143 WeakPolarHBondContact CA-O 3.45Å; I121-E143 WeakPolarHBondContact CG2-O 3.3Å; I121-F144 HydrophobicContact CG1-CD1 3.98Å; I121-F144 HydrophobicContact CG1-CE1 3.67Å |
| 122 | S | 73.2 | Confident | 70.7 | Confident | 60 Ų | 60 | 71 Ų | 71 | 42% | 0.42 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -53.7 | 172.1 | 164.9 | 0 | 0 | 0 | 0 | 110.9 | E143 | S122-E143 VanDerWaalsContact CB-OE1 3.28Å; S122-E143 WeakPolarHBondContact CB-OE1 3.28Å; S122-E143 PolarHBondContact N-O 2.78Å; S122-E143 PolarHBondContact OG-OE1 2.92Å |
| 123 | A | 73.1 | Confident | 69.9 | Low | 38 Ų | 38 | 75.7 Ų | 75.7 | 31% | 0.314 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 139.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E143 | A123-E143 HydrophobicContact CB-CB 4.09Å; A123-E143 PolarHBondContact N-O 3.11Å; A123-E143 WeakPolarHBondContact O-CA 3.42Å; A123-E143 WeakPolarHBondContact O-CB 3.39Å; A123-E143 PolarHBondContact O-N 3.27Å |
| 124 | V | 78.8 | Confident | 68.8 | Low | 14 Ų | 14 | 79.6 Ų | 79.6 | 9% | 0.085 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 95.7 | 173.1 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | E109 I112 I121 L126 Y141 | E109-V124 HydrophobicContact CG-CB 3.95Å; E109-V124 HydrophobicContact CG-CG1 4.5Å; E109-V124 HydrophobicContact CG-CG2 4.21Å; I112-V124 HydrophobicContact CB-CG1 4.34Å; I112-V124 HydrophobicContact CD1-CG1 3.85Å; I112-V124 HydrophobicContact CG2-CG1 3.93Å; I112-V124 HydrophobicContact CG2-CG2 3.95Å; I121-V124 HydrophobicContact CG2-CG2 3.64Å; V124-L126 HydrophobicContact CG1-CD1 3.77Å; V124-L126 HydrophobicContact CG1-CG 3.92Å; V124-L126 PolarHBondContact O-N 3.09Å; V124-Y141 CarbonylContact C-O 3.29Å |
| 125 | R | 75.7 | Confident | 67.8 | Low | 185 Ų | 185 | 80 Ų | 80 | 70% | 0.698 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 101.2 | 176.9 | -172.1 | 176.8 | -176.2 | 92.5 | -4 | 109.5 | P127 Y141 | R125-P127 VanDerWaalsContact O-CD 3.28Å; R125-P127 WeakPolarHBondContact O-CD 3.34Å; R125-Y141 PolarHBondContact N-O 3.07Å; R125-Y141 PolarHBondContact O-N 2.81Å |
| 126 | L | 76.3 | Confident | 67.4 | Low | 32 Ų | 32 | 80 Ų | 80 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | trans | -102.3 | 98.9 | 174 | -72.7 | 148.9 | 0 | 0 | 0 | 110.5 | L103 E109 I112 V124 R128 | L103-L126 HydrophobicContact CD1-CD2 3.76Å; E109-L126 HydrophobicContact CB-CD1 4.14Å; I112-L126 HydrophobicContact CD1-CD1 4.09Å; I112-L126 HydrophobicContact CD1-CD2 3.83Å; I112-L126 HydrophobicContact CD1-CG 4.32Å; V124-L126 HydrophobicContact CG1-CD1 3.77Å; V124-L126 HydrophobicContact CG1-CG 3.92Å; V124-L126 PolarHBondContact O-N 3.09Å; L126-R128 PolarHBondContact O-N 3.19Å | ||
| 127 | P | 74.5 | Confident | 67.1 | Low | 59 Ų | 59 | 84.9 Ų | 84.9 | 38% | 0.383 | 45% | 0.452 | S | S | . | . | trans | -66.2 | 95.4 | 171.5 | -17.7 | 32.3 | 0 | 0 | 0 | 110 | R125 K137 Y141 | R125-P127 VanDerWaalsContact O-CD 3.28Å; R125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-K137 VanDerWaalsContact O-CB 3.31Å; P127-K137 WeakPolarHBondContact O-CB 3.46Å; P127-Y141 HydrophobicContact CG-CD2 4.27Å; P127-Y141 HydrophobicContact CG-CE2 4.06Å | ||
| 128 | R | 68.3 | Low | 66.9 | Low | 126 Ų | 126 | 75.1 Ų | 75.1 | 48% | 0.475 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -70 | 151.8 | 171.1 | -56.9 | -163.4 | 171.1 | 171.2 | -3.8 | 109.6 | L126 P130 L136 | L126-R128 PolarHBondContact O-N 3.19Å; R128-P130 VanDerWaalsContact O-CD 3.31Å; R128-P130 WeakPolarHBondContact O-CD 3.15Å; R128-L136 HydrophobicContact CB-CD2 4.38Å; R128-L136 HydrophobicContact CG-CD2 3.61Å |
| 129 | E | 59.8 | Low | 67.6 | Low | 37 Ų | 37 | 76 Ų | 76 | 17% | 0.173 | 40% | 0.398 | C | S | . | . | trans | -66.2 | 116.1 | 176.1 | -177.5 | 144.6 | -112.6 | 0 | 0 | 108.8 | S131 N132 R135 K137 | E129-S131 PolarHBondContact O-N 3.49Å; E129-N132 CarbonylContact O-C 3.51Å; E129-N132 VanDerWaalsContact O-C 3.28Å; E129-N132 PolarHBondContact O-N 3.15Å; E129-N132 VanDerWaalsContact O-O 3.11Å; E129-R135 WeakPolarHBondContact CB-O 3.47Å; E129-R135 PolarHBondContact N-O 3.49Å; E129-R135 IonicContact OE2-NH1 3.26Å; E129-R135 PolarHBondContact OE2-NH1 2.91Å; E129-R135 VanDerWaalsContact OE2-NH1 3.11Å; E129-K137 IonicContact OE1-NZ 3.79Å; E129-K137 PolarHBondContact OE1-NZ 2.9Å; E129-K137 VanDerWaalsContact OE1-NZ 3.08Å | ||
| 130 | P | 55.3 | Low | 68 | Low | 132 Ų | 132 | 74.9 Ų | 74.9 | 86% | 0.857 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -12.1 | -174.3 | 27.7 | -35.8 | 0 | 0 | 0 | 112.8 | R128 | R128-P130 VanDerWaalsContact O-CD 3.31Å; R128-P130 WeakPolarHBondContact O-CD 3.15Å |
| 131 | S | 54.2 | Low | 68.4 | Low | 96 Ų | 96 | 77 Ų | 77 | 67% | 0.671 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -19.9 | 174.3 | -52.5 | 0 | 0 | 0 | 0 | 114.1 | E129 | E129-S131 PolarHBondContact O-N 3.49Š|
| 132 | N | 56.9 | Low | 68.9 | Low | 87 Ų | 87 | 75.2 Ų | 75.2 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | trans | -152.9 | 104.8 | 179.8 | -74 | -70.1 | 0 | 0 | 0 | 110.1 | E129 E134 R135 | E129-N132 CarbonylContact O-C 3.51Å; E129-N132 VanDerWaalsContact O-C 3.28Å; E129-N132 PolarHBondContact O-N 3.15Å; E129-N132 VanDerWaalsContact O-O 3.11Å; N132-E134 PolarHBondContact O-N 3.06Å; N132-R135 HydrophobicContact CB-CB 3.84Å; N132-R135 PolarHBondContact O-N 2.8Å | ||
| 133 | P | 62 | Low | 69.4 | Low | 101 Ų | 101 | 74.9 Ų | 74.9 | 66% | 0.656 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -22 | -178.2 | 27.4 | -35 | 0 | 0 | 0 | 113.5 | R135 | P133-R135 VanDerWaalsContact C-N 3.3Š|
| 134 | E | 57.6 | Low | 69.7 | Low | 178 Ų | 178 | 73 Ų | 73 | 83% | 0.832 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -16.8 | 174 | -168.7 | 172.8 | -174.8 | 0 | 0 | 112.7 | N132 | N132-E134 PolarHBondContact O-N 3.06Š|
| 135 | R | 59.8 | Low | 69.8 | Low | 120 Ų | 120 | 76.6 Ų | 76.6 | 45% | 0.453 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -108.4 | 84.8 | -177.7 | -160.2 | 167.1 | -172.4 | -80.1 | -8.2 | 111 | Y105 E129 N132 P133 | Y105-R135 HydrophobicContact CD1-CG 4.33Å; Y105-R135 HydrophobicContact CE1-CG 4.26Å; E129-R135 WeakPolarHBondContact CB-O 3.47Å; E129-R135 PolarHBondContact N-O 3.49Å; E129-R135 IonicContact OE2-NH1 3.26Å; E129-R135 PolarHBondContact OE2-NH1 2.91Å; E129-R135 VanDerWaalsContact OE2-NH1 3.11Å; N132-R135 HydrophobicContact CB-CB 3.84Å; N132-R135 PolarHBondContact O-N 2.8Å; P133-R135 VanDerWaalsContact C-N 3.3Å |
| 136 | L | 66.3 | Low | 70 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -57.4 | 148.1 | 173.4 | -54.1 | -177.8 | 0 | 0 | 0 | 110.8 | Y105 V107 R128 G138 | Y105-L136 HydrophobicContact CD1-CB 4.48Å; Y105-L136 WeakPolarHBondContact CD1-O 3.48Å; Y105-L136 WeakPolarHBondContact CE1-O 3.34Å; Y105-L136 WeakPolarHBondContact O-CD1 3.27Å; Y105-L136 VanDerWaalsContact O-CG 3.26Å; Y105-L136 WeakPolarHBondContact O-CG 3.41Å; V107-L136 WeakPolarHBondContact O-CD1 3.41Å; R128-L136 HydrophobicContact CB-CD2 4.38Å; R128-L136 HydrophobicContact CG-CD2 3.61Å; L136-G138 PolarHBondContact O-N 2.89Å |
| 137 | K | 63.4 | Low | 70 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | trans | -66.6 | -9.6 | -178.8 | -149.7 | 74.8 | 178.2 | 179.2 | 0 | 113.5 | P127 E129 F139 | P127-K137 VanDerWaalsContact O-CB 3.31Å; P127-K137 WeakPolarHBondContact O-CB 3.46Å; E129-K137 IonicContact OE1-NZ 3.79Å; E129-K137 PolarHBondContact OE1-NZ 2.9Å; E129-K137 VanDerWaalsContact OE1-NZ 3.08Å; K137-F139 HydrophobicContact CB-CD2 4.37Å; K137-F139 HydrophobicContact CG-CD2 4.06Å; K137-F139 WeakPolarHBondContact O-CD2 3.43Å; K137-F139 WeakPolarHBondContact O-CE2 3.27Å; K137-F139 PolarHBondContact O-N 3.08Å | ||
| 138 | G | 69.8 | Low | 70.2 | Confident | 3 Ų | 3 | 75.4 Ų | 75.4 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 71.2 | 14.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N102 L103 L136 | N102-G138 WeakPolarHBondContact CA-O 3.45Å; N102-G138 PolarHBondContact N-O 3Å; L103-G138 PolarHBondContact N-O 3.22Å; L103-G138 WeakPolarHBondContact O-CA 3.39Å; L136-G138 PolarHBondContact O-N 2.89Å |
| 139 | F | 77.3 | Confident | 70.7 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 45% | 0.447 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 138.2 | 179.6 | -57.6 | -71.3 | 0 | 0 | 0 | 108.8 | F99 L100 K137 | F99-F139 HydrophobicContact CE1-CD1 4.13Å; F99-F139 HydrophobicContact CE1-CE1 4.49Å; F99-F139 HydrophobicContact CE2-CB 4.15Å; F99-F139 AromaticContact CE2-CD1 4Å; F99-F139 HydrophobicContact CE2-CD1 4Å; F99-F139 HydrophobicContact CE2-CG 4.39Å; F99-F139 HydrophobicContact CZ-CB 4.36Å; F99-F139 AromaticContact CZ-CD1 3.34Å; F99-F139 HydrophobicContact CZ-CD1 3.34Å; F99-F139 AromaticContact CZ-CE1 3.94Å; F99-F139 HydrophobicContact CZ-CE1 3.94Å; F99-F139 HydrophobicContact CZ-CG 4.12Å; L100-F139 CarbonylContact O-C 3.59Å; L100-F139 VanDerWaalsContact O-CA 3.29Å; L100-F139 WeakPolarHBondContact O-CA 3.42Å; K137-F139 HydrophobicContact CB-CD2 4.37Å; K137-F139 HydrophobicContact CG-CD2 4.06Å; K137-F139 WeakPolarHBondContact O-CD2 3.43Å; K137-F139 WeakPolarHBondContact O-CE2 3.27Å; K137-F139 PolarHBondContact O-N 3.08Å |
| 140 | G | 81.2 | Confident | 71.5 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 163 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L100 | L100-G140 WeakPolarHBondContact CA-O 3.34Å; L100-G140 WeakPolarHBondContact CB-O 3.47Å; L100-G140 PolarHBondContact N-O 2.84Å; L100-G140 PolarHBondContact O-N 2.8Å |
| 141 | Y | 82 | Confident | 72.6 | Confident | 89 Ų | 89 | 65 Ų | 65 | 35% | 0.349 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.6 | 168.2 | -54.6 | -88.6 | 0 | 0 | 0 | 107.2 | A98 F99 V124 R125 P127 A171 | A98-Y141 WeakPolarHBondContact O-CA 3.48Å; F99-Y141 HydrophobicContact CD2-CD1 4.06Å; F99-Y141 AromaticContact CD2-CE1 3.64Å; F99-Y141 HydrophobicContact CD2-CE1 3.64Å; F99-Y141 HydrophobicContact CE2-CE1 4.27Å; V124-Y141 CarbonylContact C-O 3.29Å; R125-Y141 PolarHBondContact N-O 3.07Å; R125-Y141 PolarHBondContact O-N 2.81Å; P127-Y141 HydrophobicContact CG-CD2 4.27Å; P127-Y141 HydrophobicContact CG-CE2 4.06Å; Y141-A171 HydrophobicContact CD1-CB 4.37Å |
| 142 | A | 80.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | A98 L100 F116 F144 | A98-A142 PolarHBondContact N-O 3.06Å; A98-A142 PolarHBondContact O-N 2.77Å; L100-A142 HydrophobicContact CD1-CB 3.89Å; L100-A142 HydrophobicContact CD2-CB 4.48Å; L100-A142 HydrophobicContact CG-CB 4.22Å; F116-A142 HydrophobicContact CE2-CB 4.01Å; A142-F144 HydrophobicContact CB-CD2 4.47Å; A142-F144 HydrophobicContact CB-CE2 3.71Å; A142-F144 HydrophobicContact CB-CZ 3.95Å; A142-F144 WeakPolarHBondContact O-CD2 3.49Å |
| 143 | E | 83.6 | Confident | 74.7 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.5 | 177.4 | -172.8 | -173.7 | 129.9 | 0 | 0 | 108.6 | P95 T97 I121 S122 A123 | P95-E143 HydrophobicContact CB-CG 3.36Å; P95-E143 VanDerWaalsContact CB-OE1 3.27Å; P95-E143 WeakPolarHBondContact CB-OE1 3.35Å; P95-E143 HydrophobicContact CG-CG 3.57Å; P95-E143 WeakPolarHBondContact CG-OE1 3.32Å; T97-E143 HydrophobicContact CG2-CB 4.1Å; T97-E143 HydrophobicContact CG2-CG 4Å; I121-E143 CarbonylContact C-O 3.42Å; I121-E143 WeakPolarHBondContact CA-O 3.45Å; I121-E143 WeakPolarHBondContact CG2-O 3.3Å; S122-E143 VanDerWaalsContact CB-OE1 3.28Å; S122-E143 WeakPolarHBondContact CB-OE1 3.28Å; S122-E143 PolarHBondContact N-O 2.78Å; S122-E143 PolarHBondContact OG-OE1 2.92Å; A123-E143 HydrophobicContact CB-CB 4.09Å; A123-E143 PolarHBondContact N-O 3.11Å; A123-E143 WeakPolarHBondContact O-CA 3.42Å; A123-E143 WeakPolarHBondContact O-CB 3.39Å; A123-E143 PolarHBondContact O-N 3.27Å |
| 144 | F | 79.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 143.1 | 178.7 | -62.3 | -85.8 | 0 | 0 | 0 | 110.9 | Y96 A98 F116 L119 A120 I121 A142 D146 A153 | Y96-F144 WeakPolarHBondContact CA-O 3.41Å; Y96-F144 WeakPolarHBondContact CB-O 3.18Å; Y96-F144 WeakPolarHBondContact CD2-O 3.46Å; Y96-F144 PolarHBondContact N-O 3.4Å; Y96-F144 PolarHBondContact O-N 2.92Å; A98-F144 HydrophobicContact CB-CD2 4.05Å; A98-F144 HydrophobicContact CB-CE2 3.64Å; F116-F144 HydrophobicContact CB-CE1 4.21Å; F116-F144 HydrophobicContact CD1-CE1 4.31Å; F116-F144 AromaticContact CD1-CZ 3.97Å; F116-F144 HydrophobicContact CD1-CZ 3.97Å; F116-F144 HydrophobicContact CD2-CE1 4.09Å; F116-F144 AromaticContact CD2-CZ 3.65Å; F116-F144 HydrophobicContact CD2-CZ 3.65Å; F116-F144 AromaticContact CE1-CZ 3.99Å; F116-F144 HydrophobicContact CE1-CZ 3.99Å; F116-F144 HydrophobicContact CE2-CE2 4.5Å; F116-F144 AromaticContact CE2-CZ 3.69Å; F116-F144 HydrophobicContact CE2-CZ 3.69Å; F116-F144 AromaticContact CG-CE1 3.96Å; F116-F144 HydrophobicContact CG-CE1 3.96Å; F116-F144 AromaticContact CG-CZ 3.8Å; F116-F144 HydrophobicContact CG-CZ 3.8Å; F116-F144 AromaticContact CZ-CZ 3.87Å; F116-F144 HydrophobicContact CZ-CZ 3.87Å; L119-F144 HydrophobicContact CB-CD1 4.12Å; L119-F144 HydrophobicContact CB-CE1 3.84Å; L119-F144 HydrophobicContact CD1-CE1 3.8Å; L119-F144 HydrophobicContact CD1-CZ 4.27Å; L119-F144 HydrophobicContact CG-CE1 4.49Å; A120-F144 CarbonylContact O-C 3.41Å; A120-F144 WeakPolarHBondContact O-CA 3.49Å; A120-F144 WeakPolarHBondContact O-CB 3.36Å; I121-F144 HydrophobicContact CG1-CD1 3.98Å; I121-F144 HydrophobicContact CG1-CE1 3.67Å; A142-F144 HydrophobicContact CB-CD2 4.47Å; A142-F144 HydrophobicContact CB-CE2 3.71Å; A142-F144 HydrophobicContact CB-CZ 3.95Å; A142-F144 WeakPolarHBondContact O-CD2 3.49Å; F144-D146 VanDerWaalsContact C-N 3.29Å; F144-A153 HydrophobicContact CE2-CB 4.24Å; F144-A153 HydrophobicContact CZ-CB 4.03Å |
| 145 | D | 80.8 | Confident | 76.4 | Confident | 88 Ų | 88 | 54.9 Ų | 54.9 | 47% | 0.471 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -80.5 | -13.9 | 174.5 | -70.2 | -50.6 | 0 | 0 | 0 | 113 | Y96 A120 | Y96-D145 WeakPolarHBondContact CE2-O 3.45Å; A120-D145 HydrophobicContact CB-CB 4.25Å; A120-D145 PolarHBondContact O-N 3.45Å |
| 146 | D | 81.3 | Confident | 76.9 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | trans | -128.9 | 145.1 | -164.9 | 166 | 46.8 | 0 | 0 | 0 | 113.9 | A120 F144 E148 S149 L150 | A120-D146 HydrophobicContact CB-CB 4.21Å; F144-D146 VanDerWaalsContact C-N 3.29Å; D146-E148 PolarHBondContact OD1-N 3.24Å; D146-E148 PolarHBondContact OD2-N 2.88Å; D146-S149 WeakPolarHBondContact O-CB 3.16Å; D146-S149 VanDerWaalsContact OD2-CB 3.27Å; D146-S149 WeakPolarHBondContact OD2-CB 3.44Å; D146-S149 PolarHBondContact OD2-N 2.91Å; D146-S149 PolarHBondContact OD2-OG 3.44Å; D146-L150 PolarHBondContact O-N 3.01Å | ||
| 147 | L | 75.4 | Confident | 76.7 | Confident | 42 Ų | 42 | 53 Ų | 53 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.5 | -40 | 179.7 | -66.4 | 161.5 | 0 | 0 | 0 | 111.7 | L90 Y96 S149 L150 L151 | L90-L147 HydrophobicContact CB-CD2 3.77Å; L90-L147 HydrophobicContact CD1-CD2 3.48Å; L90-L147 VanDerWaalsContact CD1-CD2 3.48Å; L90-L147 HydrophobicContact CG-CD2 4.17Å; Y96-L147 HydrophobicContact CD1-CD2 3.99Å; Y96-L147 HydrophobicContact CE1-CD2 3.28Å; Y96-L147 HydrophobicContact CE1-CG 4.05Å; Y96-L147 HydrophobicContact CE2-CD2 4.05Å; Y96-L147 HydrophobicContact CE2-CG 3.89Å; Y96-L147 WeakPolarHBondContact OH-CD2 3.5Å; L147-S149 VanDerWaalsContact C-N 3.31Å; L147-L150 PolarHBondContact O-N 3.38Å; L147-L151 PolarHBondContact O-N 2.92Å |
| 148 | E | 78.9 | Confident | 76.8 | Confident | 153 Ų | 153 | 52.7 Ų | 52.7 | 72% | 0.715 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -69.4 | -37.4 | 178.3 | -57.1 | -168.8 | 174 | 0 | 0 | 110.1 | D146 L151 R152 | D146-E148 PolarHBondContact OD1-N 3.24Å; D146-E148 PolarHBondContact OD2-N 2.88Å; E148-L151 PolarHBondContact O-N 2.93Å; E148-R152 WeakPolarHBondContact O-CB 3.44Å; E148-R152 PolarHBondContact O-N 2.85Å |
| 149 | S | 78.2 | Confident | 76.6 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.028 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.2 | -52.4 | 170.9 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | L119 A120 D146 L147 L151 R152 A153 | L119-S149 WeakPolarHBondContact CA-OG 3.48Å; L119-S149 WeakPolarHBondContact CD1-O 3.37Å; A120-S149 PolarHBondContact N-OG 3.1Å; D146-S149 WeakPolarHBondContact O-CB 3.16Å; D146-S149 VanDerWaalsContact OD2-CB 3.27Å; D146-S149 WeakPolarHBondContact OD2-CB 3.44Å; D146-S149 PolarHBondContact OD2-N 2.91Å; D146-S149 PolarHBondContact OD2-OG 3.44Å; L147-S149 VanDerWaalsContact C-N 3.31Å; S149-L151 PolarHBondContact O-N 2.88Å; S149-R152 PolarHBondContact O-N 3.49Å; S149-A153 WeakPolarHBondContact O-CB 3.45Å; S149-A153 PolarHBondContact O-N 3.36Å |
| 150 | L | 78 | Confident | 75.9 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.1 | -179.8 | 60.2 | 0 | 0 | 0 | 112.9 | L90 A98 D146 L147 R152 A153 L154 I170 | L90-L150 HydrophobicContact CD2-CD2 3.37Å; A98-L150 HydrophobicContact CB-CD1 3.73Å; D146-L150 PolarHBondContact O-N 3.01Å; L147-L150 PolarHBondContact O-N 3.38Å; L150-R152 VanDerWaalsContact C-N 3.32Å; L150-R152 PolarHBondContact O-N 3.02Å; L150-A153 PolarHBondContact O-N 3.5Å; L150-L154 HydrophobicContact CD1-CD1 4.39Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 4.18Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 3.1Å; L150-I170 HydrophobicContact CD1-CG1 4.38Å; L150-I170 HydrophobicContact CD2-CD1 4.46Å; L150-I170 HydrophobicContact CD2-CG1 4.19Å; L150-I170 HydrophobicContact CD2-CG2 4.09Å; L150-I170 HydrophobicContact CG-CG1 4.46Å |
| 151 | L | 78.2 | Confident | 75.1 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 37% | 0.372 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 177.4 | -175 | 148.4 | 0 | 0 | 0 | 111.8 | I85 L147 E148 S149 L154 S155 | I85-L151 HydrophobicContact CD1-CG 3.91Å; I85-L151 HydrophobicContact CG2-CD1 4.34Å; I85-L151 HydrophobicContact CG2-CG 4.44Å; L147-L151 PolarHBondContact O-N 2.92Å; E148-L151 PolarHBondContact O-N 2.93Å; S149-L151 PolarHBondContact O-N 2.88Å; L151-L154 PolarHBondContact O-N 3.39Å; L151-S155 PolarHBondContact O-N 2.96Å; L151-S155 PolarHBondContact O-OG 2.67Å |
| 152 | R | 79.1 | Confident | 74.4 | Confident | 159 Ų | 159 | 57.2 Ų | 57.2 | 60% | 0.6 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.9 | -39.8 | 175 | -162.2 | 71.5 | 177.2 | -162.6 | 1.8 | 111.4 | L119 E148 S149 L150 L154 S155 L156 | L119-R152 HydrophobicContact CD2-CB 3.65Å; L119-R152 HydrophobicContact CD2-CG 3.72Å; E148-R152 WeakPolarHBondContact O-CB 3.44Å; E148-R152 PolarHBondContact O-N 2.85Å; S149-R152 PolarHBondContact O-N 3.49Å; L150-R152 VanDerWaalsContact C-N 3.32Å; L150-R152 PolarHBondContact O-N 3.02Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 3.16Å; R152-S155 CarbonylContact O-C 3.51Å; R152-S155 WeakPolarHBondContact O-CB 3.34Å; R152-S155 PolarHBondContact O-N 3.3Å; R152-S155 VanDerWaalsContact O-N 3.15Å; R152-L156 HydrophobicContact CG-CD1 4.2Å; R152-L156 WeakPolarHBondContact O-CB 3.35Å; R152-L156 VanDerWaalsContact O-CG 3.29Å; R152-L156 WeakPolarHBondContact O-CG 3.38Å; R152-L156 PolarHBondContact O-N 3.2Å |
| 153 | A | 75.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F116 L119 F144 S149 L150 L156 S157 V168 | F116-A153 HydrophobicContact CD1-CB 4.16Å; F116-A153 HydrophobicContact CE1-CB 3.54Å; F116-A153 HydrophobicContact CZ-CB 4.22Å; L119-A153 HydrophobicContact CD1-CB 3.93Å; F144-A153 HydrophobicContact CE2-CB 4.24Å; F144-A153 HydrophobicContact CZ-CB 4.03Å; S149-A153 WeakPolarHBondContact O-CB 3.45Å; S149-A153 PolarHBondContact O-N 3.36Å; L150-A153 PolarHBondContact O-N 3.5Å; A153-L156 CarbonylContact O-C 3.53Å; A153-L156 PolarHBondContact O-N 2.94Å; A153-S157 PolarHBondContact O-N 2.79Å; A153-S157 VanDerWaalsContact O-N 3.11Å; A153-V168 HydrophobicContact CB-CG1 4.08Å; A153-V168 WeakPolarHBondContact O-CG2 3.21Å |
| 154 | L | 75.9 | Confident | 73.5 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 172.5 | -68.2 | 162.3 | 0 | 0 | 0 | 112 | I85 L150 L151 R152 L156 S157 V168 I170 | I85-L154 HydrophobicContact CB-CD1 4.5Å; I85-L154 HydrophobicContact CD1-CB 3.7Å; I85-L154 HydrophobicContact CD1-CD1 3.85Å; I85-L154 HydrophobicContact CD1-CG 4.43Å; I85-L154 HydrophobicContact CG1-CB 4.42Å; I85-L154 HydrophobicContact CG1-CD1 3.94Å; I85-L154 HydrophobicContact CG2-CD1 3.77Å; L150-L154 HydrophobicContact CD1-CD1 4.39Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 4.18Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 3.1Å; L151-L154 PolarHBondContact O-N 3.39Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 3.16Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 3.05Å; L154-S157 WeakPolarHBondContact O-CB 3.29Å; L154-S157 PolarHBondContact O-N 3.21Å; L154-S157 VanDerWaalsContact O-N 3.14Å; L154-S157 PolarHBondContact O-OG 3.38Å; L154-V168 HydrophobicContact CD2-CG1 4.3Å; L154-I170 HydrophobicContact CD1-CD1 3.78Å; L154-I170 HydrophobicContact CD1-CG1 3.69Å; L154-I170 HydrophobicContact CD2-CG1 4.04Å; L154-I170 HydrophobicContact CG-CG1 4.4Å |
| 155 | S | 79.3 | Confident | 73.4 | Confident | 71 Ų | 71 | 69.4 Ų | 69.4 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.9 | -25 | 174.1 | -53 | 0 | 0 | 0 | 0 | 113.1 | L151 R152 | L151-S155 PolarHBondContact O-N 2.96Å; L151-S155 PolarHBondContact O-OG 2.67Å; R152-S155 CarbonylContact O-C 3.51Å; R152-S155 WeakPolarHBondContact O-CB 3.34Å; R152-S155 PolarHBondContact O-N 3.3Å; R152-S155 VanDerWaalsContact O-N 3.15Å |
| 156 | L | 70.4 | Confident | 73.5 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 6.8 | 172.7 | -66.8 | 167.8 | 0 | 0 | 0 | 112.7 | F115 R152 A153 L154 E159 | F115-L156 HydrophobicContact CE1-CB 4.34Å; R152-L156 HydrophobicContact CG-CD1 4.2Å; R152-L156 WeakPolarHBondContact O-CB 3.35Å; R152-L156 VanDerWaalsContact O-CG 3.29Å; R152-L156 WeakPolarHBondContact O-CG 3.38Å; R152-L156 PolarHBondContact O-N 3.2Å; A153-L156 CarbonylContact O-C 3.53Å; A153-L156 PolarHBondContact O-N 2.94Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 3.05Å; L156-E159 PolarHBondContact O-N 3.22Å |
| 157 | S | 63.2 | Low | 73.5 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 146.8 | 166.6 | 66.6 | 0 | 0 | 0 | 0 | 109.6 | A153 L154 | A153-S157 PolarHBondContact O-N 2.79Å; A153-S157 VanDerWaalsContact O-N 3.11Å; L154-S157 WeakPolarHBondContact O-CB 3.29Å; L154-S157 PolarHBondContact O-N 3.21Å; L154-S157 VanDerWaalsContact O-N 3.14Å; L154-S157 PolarHBondContact O-OG 3.38Å |
| 158 | E | 64.1 | Low | 73.7 | Confident | 99 Ų | 99 | 70.2 Ų | 70.2 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -7.3 | -173.6 | -43.1 | -159.9 | 115.1 | 0 | 0 | 118.4 | R165 I166 | E158-R165 VanDerWaalsContact CD-CZ 3.44Å; E158-R165 IonicContact OE1-CZ 3.98Å; E158-R165 VanDerWaalsContact OE1-CZ 3.26Å; E158-R165 IonicContact OE1-NH1 3.56Å; E158-R165 PolarHBondContact OE1-NH1 3.33Å; E158-R165 IonicContact OE1-NH2 2.78Å; E158-R165 PolarHBondContact OE1-NH2 2.67Å; E158-R165 VanDerWaalsContact OE1-NH2 3.15Å; E158-R165 IonicContact OE2-CZ 2.65Å; E158-R165 IonicContact OE2-NH1 3.11Å; E158-R165 IonicContact OE2-NH2 3.08Å; E158-R165 PolarHBondContact OE2-NH2 2.85Å; E158-I166 VanDerWaalsContact CA-O 3.3Å; E158-I166 WeakPolarHBondContact CA-O 3.48Å; E158-I166 PolarHBondContact N-O 2.92Å |
| 159 | E | 66.1 | Low | 73.8 | Confident | 84 Ų | 84 | 67.7 Ų | 67.7 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | trans | -63.1 | 144.6 | 172.1 | 179.2 | 176.8 | -175.7 | 0 | 0 | 111.3 | F115 L156 I166 | F115-E159 HydrophobicContact CD2-CG 4.19Å; F115-E159 HydrophobicContact CE2-CB 3.47Å; F115-E159 VanDerWaalsContact CE2-CB 3.47Å; F115-E159 HydrophobicContact CE2-CG 3.52Å; F115-E159 HydrophobicContact CZ-CB 3.73Å; F115-E159 HydrophobicContact CZ-CG 4.26Å; L156-E159 PolarHBondContact O-N 3.22Å; E159-I166 PolarHBondContact O-N 3.42Å; E159-I166 VanDerWaalsContact O-N 3.15Å | ||
| 160 | N | 61.8 | Low | 73.7 | Confident | 99 Ų | 99 | 69.1 Ų | 69.1 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 101 | -165.3 | -59.3 | 73.7 | 0 | 0 | 0 | 111.1 | G162 R165 | N160-G162 PolarHBondContact O-N 3.25Å; N160-R165 WeakPolarHBondContact ND2-CG 3.43Å |
| 161 | L | 64 | Low | 73.2 | Confident | 30 Ų | 30 | 69.9 Ų | 69.9 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 115.1 | 158.6 | -69 | -171.5 | 0 | 0 | 0 | 108.4 | P104 V107 F115 N163 R164 I166 | P104-L161 HydrophobicContact CG-CB 3.94Å; P104-L161 WeakPolarHBondContact CG-O 3.41Å; V107-L161 HydrophobicContact CB-CD1 4.48Å; V107-L161 HydrophobicContact CG1-CD1 4.01Å; V107-L161 HydrophobicContact CG2-CB 3.76Å; V107-L161 HydrophobicContact CG2-CD1 3.55Å; V107-L161 HydrophobicContact CG2-CG 4.28Å; F115-L161 HydrophobicContact CB-CD1 4.48Å; F115-L161 HydrophobicContact CD2-CD1 4.24Å; F115-L161 HydrophobicContact CD2-CD2 3.85Å; F115-L161 HydrophobicContact CD2-CG 3.87Å; F115-L161 HydrophobicContact CE2-CG 4.34Å; L161-N163 PolarHBondContact O-N 2.75Å; L161-R164 PolarHBondContact N-O 2.68Å; L161-R164 PolarHBondContact O-N 2.83Å; L161-R164 VanDerWaalsContact O-O 3.07Å; L161-I166 HydrophobicContact CB-CD1 4Å; L161-I166 HydrophobicContact CD1-CD1 3.58Å; L161-I166 HydrophobicContact CG-CD1 3.58Å |
| 162 | G | 68.9 | Low | 72.2 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 78% | 0.784 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | -122.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N160 | N160-G162 PolarHBondContact O-N 3.25Š|
| 163 | N | 70.5 | Confident | 71.1 | Confident | 133 Ų | 133 | 64.8 Ų | 64.8 | 71% | 0.711 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 5.8 | -174.9 | 65.7 | -1 | 0 | 0 | 0 | 114.8 | L161 | L161-N163 PolarHBondContact O-N 2.75Š|
| 164 | R | 73.5 | Confident | 69.8 | Low | 59 Ų | 59 | 68.3 Ų | 68.3 | 22% | 0.223 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141.9 | -177 | -69.2 | 166.6 | 72.9 | -176.7 | 1.3 | 111.6 | N102 L103 P104 L161 | N102-R164 PolarHBondContact OD1-NE 3.23Å; N102-R164 PolarHBondContact OD1-NH2 3.43Å; L103-R164 PolarHBondContact O-NH1 3.48Å; P104-R164 HydrophobicContact CG-CB 4.28Å; L161-R164 PolarHBondContact N-O 2.68Å; L161-R164 PolarHBondContact O-N 2.83Å; L161-R164 VanDerWaalsContact O-O 3.07Å |
| 165 | R | 79.6 | Confident | 68.7 | Low | 117 Ų | 117 | 72.3 Ų | 72.3 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.3 | 176.7 | -62.2 | 171.4 | 84.1 | -141.9 | 18.6 | 109.7 | N102 E158 N160 | N102-R165 PolarHBondContact ND2-O 3.04Å; E158-R165 VanDerWaalsContact CD-CZ 3.44Å; E158-R165 IonicContact OE1-CZ 3.98Å; E158-R165 VanDerWaalsContact OE1-CZ 3.26Å; E158-R165 IonicContact OE1-NH1 3.56Å; E158-R165 PolarHBondContact OE1-NH1 3.33Å; E158-R165 IonicContact OE1-NH2 2.78Å; E158-R165 PolarHBondContact OE1-NH2 2.67Å; E158-R165 VanDerWaalsContact OE1-NH2 3.15Å; E158-R165 IonicContact OE2-CZ 2.65Å; E158-R165 IonicContact OE2-NH1 3.11Å; E158-R165 IonicContact OE2-NH2 3.08Å; E158-R165 PolarHBondContact OE2-NH2 2.85Å; N160-R165 WeakPolarHBondContact ND2-CG 3.43Å |
| 166 | I | 81.2 | Confident | 67.4 | Low | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | trans | -78.4 | 141.4 | 179.7 | -57.2 | -180 | 0 | 0 | 0 | 109.7 | L100 L103 F115 E158 E159 L161 V168 | L100-I166 HydrophobicContact CB-CG2 4.49Å; L103-I166 HydrophobicContact CD2-CD1 3.57Å; L103-I166 HydrophobicContact CD2-CG1 3.9Å; L103-I166 HydrophobicContact CD2-CG2 4.02Å; F115-I166 HydrophobicContact CD2-CD1 4.31Å; F115-I166 HydrophobicContact CE2-CD1 3.9Å; F115-I166 HydrophobicContact CZ-CD1 4.14Å; E158-I166 VanDerWaalsContact CA-O 3.3Å; E158-I166 WeakPolarHBondContact CA-O 3.48Å; E158-I166 PolarHBondContact N-O 2.92Å; E159-I166 PolarHBondContact O-N 3.42Å; E159-I166 VanDerWaalsContact O-N 3.15Å; L161-I166 HydrophobicContact CB-CD1 4Å; L161-I166 HydrophobicContact CD1-CD1 3.58Å; L161-I166 HydrophobicContact CG-CD1 3.58Å; I166-V168 HydrophobicContact CG2-CG2 4.09Å | ||
| 167 | R | 81.3 | Confident | 66.6 | Low | 188 Ų | 188 | 79.9 Ų | 79.9 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.3 | 164.9 | -75.6 | -177.6 | 165.7 | 170.6 | -4.5 | 108.2 | L100 G101 | L100-R167 CarbonylContact C-O 3.58Å; G101-R167 PolarHBondContact N-O 2.92Å; G101-R167 PolarHBondContact O-N 3.15Å |
| 168 | V | 80.5 | Confident | 66.1 | Low | 13 Ų | 13 | 84.8 Ų | 84.8 | 8% | 0.079 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.6 | 171.2 | -172.8 | 0 | 0 | 0 | 0 | 107.3 | A98 F99 L100 F116 A153 L154 I166 | A98-V168 HydrophobicContact CB-CG1 4.04Å; F99-V168 WeakPolarHBondContact O-CA 3.48Å; L100-V168 HydrophobicContact CD2-CB 4.47Å; L100-V168 HydrophobicContact CD2-CG1 4.16Å; L100-V168 HydrophobicContact CD2-CG2 3.91Å; F116-V168 HydrophobicContact CZ-CG2 4.4Å; A153-V168 HydrophobicContact CB-CG1 4.08Å; A153-V168 WeakPolarHBondContact O-CG2 3.21Å; L154-V168 HydrophobicContact CD2-CG1 4.3Å; I166-V168 HydrophobicContact CG2-CG2 4.09Å |
| 169 | D | 81 | Confident | 65.7 | Low | 100 Ų | 100 | 89.4 Ų | 89.4 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 158.9 | 175.7 | -164.8 | 6.2 | 0 | 0 | 0 | 109.2 | A98 F99 A171 | A98-D169 CarbonylContact C-O 3.53Å; A98-D169 WeakPolarHBondContact CA-O 3.39Å; F99-D169 HydrophobicContact CB-CB 4.39Å; F99-D169 HydrophobicContact CD1-CB 4.41Å; F99-D169 PolarHBondContact N-O 3.44Å; F99-D169 PolarHBondContact O-N 2.98Å; D169-A171 PolarHBondContact O-N 3.32Å |
| 170 | I | 75.6 | Confident | 65 | Low | 33 Ų | 33 | 92.4 Ų | 92.4 | 17% | 0.169 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 116.1 | 178.8 | -55.5 | 176.2 | 0 | 0 | 0 | 108.5 | L90 L150 L154 D172 | L90-I170 HydrophobicContact CD2-CD1 3.99Å; L90-I170 HydrophobicContact CD2-CG2 4.33Å; L150-I170 HydrophobicContact CD1-CG1 4.38Å; L150-I170 HydrophobicContact CD2-CD1 4.46Å; L150-I170 HydrophobicContact CD2-CG1 4.19Å; L150-I170 HydrophobicContact CD2-CG2 4.09Å; L150-I170 HydrophobicContact CG-CG1 4.46Å; L154-I170 HydrophobicContact CD1-CD1 3.78Å; L154-I170 HydrophobicContact CD1-CG1 3.69Å; L154-I170 HydrophobicContact CD2-CG1 4.04Å; L154-I170 HydrophobicContact CG-CG1 4.4Å; I170-D172 PolarHBondContact O-N 3.03Å |
| 171 | A | 68 | Low | 64.3 | Low | 19 Ų | 19 | 90.3 Ų | 90.3 | 16% | 0.157 | 47% | 0.466 | C | S | . | . | trans | -87.4 | 100.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | T97 F99 Y141 D169 Q173 | T97-A171 CarbonylContact O-C 3.53Å; T97-A171 WeakPolarHBondContact O-CA 3.39Å; T97-A171 WeakPolarHBondContact O-CB 3.24Å; T97-A171 PolarHBondContact O-N 3.48Å; T97-A171 WeakPolarHBondContact OG1-CB 3.37Å; T97-A171 PolarHBondContact OG1-O 3.42Å; F99-A171 HydrophobicContact CB-CB 4.18Å; Y141-A171 HydrophobicContact CD1-CB 4.37Å; D169-A171 PolarHBondContact O-N 3.32Å; A171-Q173 PolarHBondContact O-N 2.78Å | ||
| 172 | D | 57.1 | Low | 63.4 | Low | 81 Ų | 81 | 91.6 Ų | 91.6 | 43% | 0.433 | 49% | 0.487 | S | S | . | . | trans | -65.7 | 130.4 | 164.2 | -162 | -11.6 | 0 | 0 | 0 | 108.4 | P91 I170 S174 | P91-D172 WeakPolarHBondContact CG-OD1 3.31Å; I170-D172 PolarHBondContact O-N 3.03Å; D172-S174 PolarHBondContact O-N 3.39Å; D172-S174 PolarHBondContact O-OG 3.5Å | ||
| 173 | Q | 55.9 | Low | 62.3 | Low | 42 Ų | 42 | 93.3 Ų | 93.3 | 20% | 0.196 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -77.6 | 31.8 | -166.6 | 39.3 | 163.7 | -43.6 | 0 | 0 | 113.1 | P91 S93 P95 A171 N175 D176 | P91-Q173 HydrophobicContact CG-CG 3.88Å; S93-Q173 PolarHBondContact O-NE2 2.94Å; P95-Q173 PolarHBondContact O-NE2 3.42Å; A171-Q173 PolarHBondContact O-N 2.78Å; Q173-N175 PolarHBondContact O-N 3.47Å; Q173-N175 VanDerWaalsContact O-N 3.1Å; Q173-D176 PolarHBondContact O-N 3.25Å |
| 174 | S | 48.5 | Very low | 61.4 | Low | 73 Ų | 73 | 96.5 Ų | 96.5 | 51% | 0.51 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.1 | -27 | 175 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | D172 D176 E178 | D172-S174 PolarHBondContact O-N 3.39Å; D172-S174 PolarHBondContact O-OG 3.5Å; S174-D176 PolarHBondContact O-N 3.19Å; S174-E178 PolarHBondContact O-N 3.41Å |
| 175 | N | 52.7 | Low | 60.2 | Low | 104 Ų | 104 | 97.1 Ų | 97.1 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.2 | -15.8 | -171.1 | -166.7 | 52.8 | 0 | 0 | 0 | 115.5 | Q173 | Q173-N175 PolarHBondContact O-N 3.47Å; Q173-N175 VanDerWaalsContact O-N 3.1Å |
| 176 | D | 52.3 | Low | 58.3 | Low | 111 Ų | 111 | 94.7 Ų | 94.7 | 59% | 0.594 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -88.5 | -42.8 | 174.8 | -117.4 | -124.9 | 0 | 0 | 0 | 111.3 | Q173 S174 E178 R179 D180 | Q173-D176 PolarHBondContact O-N 3.25Å; S174-D176 PolarHBondContact O-N 3.19Å; D176-E178 VanDerWaalsContact C-N 3.27Å; D176-E178 PolarHBondContact O-N 2.89Å; D176-R179 PolarHBondContact O-N 2.83Å; D176-D180 PolarHBondContact O-N 2.63Å |
| 177 | K | 53.3 | Low | 56.4 | Low | 166 Ų | 166 | 105.8 Ų | 105.8 | 72% | 0.722 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.7 | -29.1 | 178.2 | -76 | -179.7 | 177.8 | 170.9 | 0 | 113.9 | ||
| 178 | E | 53.2 | Low | 54.4 | Low | 151 Ų | 151 | 103.8 Ų | 103.8 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.8 | -19.2 | 174.8 | -71.4 | -171.2 | 164.1 | 0 | 0 | 113.7 | S174 D176 | S174-E178 PolarHBondContact O-N 3.41Å; D176-E178 VanDerWaalsContact C-N 3.27Å; D176-E178 PolarHBondContact O-N 2.89Å |
| 179 | R | 53.8 | Low | 52.8 | Low | 196 Ų | 196 | 115.2 Ų | 115.2 | 74% | 0.74 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -84.7 | -34.9 | -179.7 | -88.1 | -177 | 169.1 | -132.3 | -8.3 | 114 | D176 | D176-R179 PolarHBondContact O-N 2.83Å |
| 180 | D | 51.4 | Low | 51.2 | Low | 147 Ų | 147 | 114.4 Ų | 114.4 | 79% | 0.786 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -92 | -7 | 179.5 | -69.4 | -78.4 | 0 | 0 | 0 | 114 | D176 | D176-D180 PolarHBondContact O-N 2.63Å |
| 181 | G | 48.2 | Very low | 49.4 | Very low | 55 Ų | 55 | 116 Ų | 116 | 57% | 0.567 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -98.7 | -17.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S183 | G181-S183 PolarHBondContact O-N 3.4Å |
| 182 | G | 45 | Very low | 48.1 | Very low | 58 Ų | 58 | 126.2 Ų | 126.2 | 60% | 0.598 | 70% | 0.697 | S | S | * | * | trans | -75.9 | 75.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | M184 | G182-M184 PolarHBondContact O-N 2.79Š| ||
| 183 | S | 45.1 | Very low | 47.8 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -57 | 94.4 | 178.5 | -75.1 | 0 | 0 | 0 | 0 | 113.4 | G181 G185 | G181-S183 PolarHBondContact O-N 3.4Å; S183-G185 PolarHBondContact O-N 3.22Å | ||
| 184 | M | 51.9 | Low | 47.2 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 99% | 0.99 | 75% | 0.75 | S | S | * | * | trans | -76.4 | 66.6 | 166.7 | -162.8 | 174.4 | -166.6 | 0 | 0 | 110.1 | G182 | G182-M184 PolarHBondContact O-N 2.79Š| ||
| 185 | G | 48.5 | Very low | 46.9 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 169.5 | 94.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S183 | S183-G185 PolarHBondContact O-N 3.22Š| ||
| 186 | G | 39.8 | Very low | 46.4 | Very low | 66 Ų | 66 | 140.4 Ų | 140.4 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | 149.8 | 119.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 187 | R | 41.9 | Very low | 45.7 | Very low | 234 Ų | 234 | 138 Ų | 138 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | 52.8 | 112.3 | 84.7 | -75.6 | -166.9 | -169.1 | 166.2 | 4.3 | 110.6 | |||||
| 188 | D | 38.7 | Very low | 45.4 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | cis | -150.4 | 165.2 | 26.9 | -75.1 | -60.2 | 0 | 0 | 0 | 115.5 | G190 | D188-G190 PolarHBondContact O-N 2.99Š| ||
| 189 | R | 47.1 | Very low | 45.1 | Very low | 252 Ų | 252 | 134.8 Ų | 134.8 | 95% | 0.951 | 78% | 0.778 | S | S | * | * | trans | -69.3 | 122.7 | 166.7 | -73 | 176.1 | 168.6 | 125.3 | -6.9 | 110.5 | ||||
| 190 | G | 46.4 | Very low | 45.1 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | 79.2 | 96.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | D188 | D188-G190 PolarHBondContact O-N 2.99Š| ||
| 191 | G | 39.7 | Very low | 45 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -136.5 | 112.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 192 | R | 39.1 | Very low | 44.9 | Very low | 233 Ų | 233 | 137 Ų | 137 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | 53.3 | 89.3 | 89.2 | -60.6 | -71.2 | -160.2 | -112.6 | -2.5 | 109.6 | |||||
| 193 | M | 51.3 | Low | 45 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 97% | 0.966 | 79% | 0.788 | S | S | * | * | 51.1 | 67.7 | 83.9 | -166.8 | 89.4 | 177.4 | 0 | 0 | 111.9 | |||||
| 194 | A | 42.8 | Very low | 45.6 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | 179.3 | 141.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 195 | D | 42.2 | Very low | 45.5 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | cis | -158.8 | 160.8 | -3.1 | -177.9 | -141.6 | 0 | 0 | 0 | 108 | ||||
| 196 | M | 42 | Very low | 45.7 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | trans | 59.2 | 119.4 | 175.5 | -60.9 | -156.4 | -176 | 0 | 0 | 120.5 | ||||
| 197 | G | 38.5 | Very low | 46.1 | Very low | 61 Ų | 61 | 148.7 Ų | 148.7 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | 93.1 | 110.9 | 133.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | D199 | G197-D199 PolarHBondContact O-N 2.93Š| ||
| 198 | P | 46.9 | Very low | 45.9 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -77.5 | 101.2 | 157.1 | 31.3 | -29.3 | 0 | 0 | 0 | 109.1 | K200 | P198-K200 VanDerWaalsContact C-N 3.3Å; P198-K200 PolarHBondContact O-N 2.77Å | ||
| 199 | D | 46.7 | Very low | 46 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -62.9 | 91.6 | 163.7 | -82.1 | -64.7 | 0 | 0 | 0 | 109.4 | G197 T201 | G197-D199 PolarHBondContact O-N 2.93Å; D199-T201 PolarHBondContact O-N 2.93Å | ||
| 200 | K | 54.7 | Low | 45.5 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 74% | 0.735 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 6.3 | -177.4 | -70.8 | -179.8 | 175.2 | -176.6 | 0 | 114 | P198 S203 | P198-K200 VanDerWaalsContact C-N 3.3Å; P198-K200 PolarHBondContact O-N 2.77Å; K200-S203 PolarHBondContact O-OG 2.75Å |
| 201 | T | 48.1 | Very low | 45.2 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -22.9 | -173.4 | 41.3 | 0 | 0 | 0 | 0 | 114.4 | D199 S203 | D199-T201 PolarHBondContact O-N 2.93Å; T201-S203 VanDerWaalsContact C-N 3.28Å; T201-S203 PolarHBondContact O-N 2.86Å |
| 202 | D | 46 | Very low | 45.3 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -94.8 | 58.5 | 168 | -83.8 | -77.6 | 0 | 0 | 0 | 111 | D204 | D202-D204 VanDerWaalsContact C-N 3.3Å; D202-D204 PolarHBondContact O-N 3.15Å | ||
| 203 | S | 48.3 | Very low | 45.8 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | trans | -68.1 | 88.6 | 170.5 | -73.7 | 0 | 0 | 0 | 0 | 110.1 | K200 T201 W205 | K200-S203 PolarHBondContact O-OG 2.75Å; T201-S203 VanDerWaalsContact C-N 3.28Å; T201-S203 PolarHBondContact O-N 2.86Å; S203-W205 PolarHBondContact O-N 2.87Å; S203-W205 VanDerWaalsContact O-N 3.08Å | ||
| 204 | D | 57.7 | Low | 45 | Very low | 114 Ų | 114 | 137 Ų | 137 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | trans | -50 | 109.6 | 175.6 | -156.9 | -16.6 | 0 | 0 | 0 | 110.7 | D202 R206 A207 | D202-D204 VanDerWaalsContact C-N 3.3Å; D202-D204 PolarHBondContact O-N 3.15Å; D204-R206 PolarHBondContact O-N 3.47Å; D204-A207 HydrophobicContact CB-CB 4.25Å; D204-A207 WeakPolarHBondContact O-CB 3.15Å; D204-A207 PolarHBondContact O-N 2.78Å | ||
| 205 | W | 50 | Low | 45 | Very low | 258 Ų | 258 | 140.3 Ų | 140.3 | 98% | 0.977 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 3.5 | -175.6 | -69.8 | 89.3 | 0 | 0 | 0 | 114.5 | S203 | S203-W205 PolarHBondContact O-N 2.87Å; S203-W205 VanDerWaalsContact O-N 3.08Å |
| 206 | R | 52.5 | Low | 44.8 | Very low | 228 Ų | 228 | 136.5 Ų | 136.5 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -12.1 | 173.3 | -69.4 | 174.6 | 172.5 | -91.1 | -2.3 | 113.4 | D204 R208 | D204-R206 PolarHBondContact O-N 3.47Å; R206-R208 PolarHBondContact O-N 2.92Å |
| 207 | A | 47.4 | Very low | 44.7 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 56% | 0.562 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -65.4 | 120.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | D204 | D204-A207 HydrophobicContact CB-CB 4.25Å; D204-A207 WeakPolarHBondContact O-CB 3.15Å; D204-A207 PolarHBondContact O-N 2.78Å |
| 208 | R | 38.2 | Very low | 45 | Very low | 230 Ų | 230 | 137.5 Ų | 137.5 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 143.7 | 166.3 | -70.9 | 175.2 | 156.9 | -164.1 | -9.5 | 108 | R206 S210 | R206-R208 PolarHBondContact O-N 2.92Å; R208-S210 PolarHBondContact O-N 3.11Å; R208-S210 VanDerWaalsContact O-N 3.07Å |
| 209 | P | 40.1 | Very low | 44.9 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 122.8 | 165.4 | 25.8 | -32.5 | 0 | 0 | 0 | 107.3 | A211 | P209-A211 PolarHBondContact O-N 3.14Š|
| 210 | S | 36 | Very low | 44.2 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 120.2 | 167.2 | -167.8 | 0 | 0 | 0 | 0 | 106.1 | R208 | R208-S210 PolarHBondContact O-N 3.11Å; R208-S210 VanDerWaalsContact O-N 3.07Å |
| 211 | A | 41.8 | Very low | 43.2 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 60% | 0.603 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -59 | 145.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | P209 | P209-A211 PolarHBondContact O-N 3.14Š|
| 212 | D | 40.6 | Very low | 42.4 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 65.7 | 70.7 | 165.9 | -53.5 | -66.6 | 0 | 0 | 0 | 117 | ||
| 213 | S | 49.4 | Very low | 41.7 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -152.8 | 53.7 | 141.8 | -73.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 214 | D | 35.7 | Very low | 40.8 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -111 | 100.7 | 157.1 | -93.6 | -60.2 | 0 | 0 | 0 | 108.4 | G216 | D214-G216 PolarHBondContact O-N 3.46Š| ||
| 215 | D | 41.7 | Very low | 39.6 | Very low | 163 Ų | 163 | 147 Ų | 147 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 116.7 | 151.6 | -84.4 | -78.5 | 0 | 0 | 0 | 108.2 | ||
| 216 | G | 39.2 | Very low | 38.9 | Very low | 60 Ų | 60 | 142.6 Ų | 142.6 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62 | 154.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D214 | D214-G216 PolarHBondContact O-N 3.46Š|
| 217 | P | 39.3 | Very low | 38 | Very low | 127 Ų | 127 | 144 Ų | 144 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 159.5 | 178.3 | 26.2 | -34 | 0 | 0 | 0 | 112.8 | ||
| 218 | P | 44.4 | Very low | 37.1 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79 | 158.7 | -150.9 | 30.3 | -37.7 | 0 | 0 | 0 | 115.8 | ||
| 219 | R | 44.3 | Very low | 36.7 | Very low | 234 Ų | 234 | 144.3 Ų | 144.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 133.1 | 172.3 | -68.1 | 179.3 | 168.9 | 123.8 | -0.2 | 113.2 | ||
| 220 | R | 32.6 | Very low | 36.2 | Very low | 225 Ų | 225 | 144.6 Ų | 144.6 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | trans | -136.6 | 116.9 | 131.7 | -78.1 | -178.6 | 170.4 | -92.9 | 2 | 105.1 | ||||
| 221 | D | 32.9 | Very low | 36.2 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 65% | 0.647 | 78% | 0.784 | S | S | * | * | 54.6 | 112.9 | 85.3 | -48.4 | -41.9 | 0 | 0 | 0 | 109.5 | |||||
| 222 | D | 31.7 | Very low | 35.6 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | cis | -139 | 178.4 | 17 | -63.4 | -85.6 | 0 | 0 | 0 | 109 | ||||
| 223 | A | 31.3 | Very low | 35.1 | Very low | 84 Ų | 84 | 154.4 Ų | 154.4 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | cis | -171.9 | 142 | 37.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 224 | F | 29.5 | Very low | 34.1 | Very low | 201 Ų | 201 | 153.6 Ų | 153.6 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | 42.8 | 120.5 | 140.8 | -71.5 | -96.6 | 0 | 0 | 0 | 123.7 | ||||
| 225 | G | 33.8 | Very low | 33.8 | Very low | 78 Ų | 78 | 152.8 Ų | 152.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 82.3 | 141.3 | 146.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 226 | E | 34.9 | Very low | 33.5 | Very low | 167 Ų | 167 | 156 Ų | 156 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | cis | -130.4 | 130.7 | 5.5 | -68.1 | -168.4 | 95.9 | 0 | 0 | 112 | S228 | E226-S228 PolarHBondContact OE1-OG 3.29Å; E226-S228 VanDerWaalsContact OE1-OG 3.07Å | ||
| 227 | R | 33.2 | Very low | 33.2 | Very low | 258 Ų | 258 | 161.6 Ų | 161.6 | 97% | 0.974 | 77% | 0.773 | S | S | * | * | trans | -104 | 92.6 | 145.1 | -86.3 | -176 | 174.7 | -179.4 | -1 | 107.2 | ||||
| 228 | S | 27.9 | Very low | 32.7 | Very low | 77 Ų | 77 | 165.1 Ų | 165.1 | 54% | 0.538 | 77% | 0.77 | S | S | . | * | trans | -121.1 | 122 | 174.7 | -71 | 0 | 0 | 0 | 0 | 109.5 | E226 | E226-S228 PolarHBondContact OE1-OG 3.29Å; E226-S228 VanDerWaalsContact OE1-OG 3.07Å | ||
| 229 | R | 30.9 | Very low | 32 | Very low | 226 Ų | 226 | 167.4 Ų | 167.4 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 72 | 103.6 | 168.3 | -72.3 | 153.1 | -178.3 | 166.3 | 1.9 | 117.1 | ||||
| 230 | D | 29.6 | Very low | 31.3 | Very low | 134 Ų | 134 | 159.2 Ų | 159.2 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | 86.5 | 116.8 | 69.6 | -73.9 | -47.5 | 0 | 0 | 0 | 109.8 | |||||
| 231 | R | 36.2 | Very low | 31.2 | Very low | 228 Ų | 228 | 153.8 Ų | 153.8 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | 61 | 83.7 | 67.4 | -170.5 | -174.2 | -126.8 | -155.5 | 0.4 | 111.4 | |||||
| 232 | Y | 27.8 | Very low | 31.4 | Very low | 191 Ų | 191 | 159 Ų | 159 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -152.8 | 144.5 | 155.4 | -140.1 | -106.5 | 0 | 0 | 0 | 110.1 | ||||
| 233 | E | 30.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 163 Ų | 163 | 57% | 0.565 | 77% | 0.77 | S | S | * | * | trans | 29.6 | 113.2 | 162.8 | -96 | 70.3 | 141.7 | 0 | 0 | 118.2 | ||||
| 234 | S | 27.8 | Very low | 31.7 | Very low | 98 Ų | 98 | 165.1 Ų | 165.1 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | 48.3 | 134.5 | 58.7 | -55.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 235 | D | 30.6 | Very low | 32 | Very low | 143 Ų | 143 | 162.5 Ų | 162.5 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | 59.9 | 95.3 | 163.9 | -55.1 | -46.5 | 0 | 0 | 0 | 118.7 | ||||
| 236 | R | 34 | Very low | 31.9 | Very low | 229 Ų | 229 | 169.5 Ų | 169.5 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | -153.5 | 100.4 | 118.6 | -73.6 | -148.2 | -174 | 158 | 9.5 | 113.3 | |||||
| 237 | Y | 32.8 | Very low | 31.8 | Very low | 178 Ų | 178 | 171.9 Ų | 171.9 | 70% | 0.698 | 77% | 0.77 | S | S | * | * | trans | 59.5 | 116.2 | 139.2 | -59.7 | -73.6 | 0 | 0 | 0 | 119.1 | ||||
| 238 | R | 28.8 | Very low | 31.9 | Very low | 201 Ų | 201 | 166.4 Ų | 166.4 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | 67.4 | 121.4 | 76.2 | -176.4 | -166.7 | -66.2 | -159.5 | 0.6 | 110 | |||||
| 239 | E | 29.5 | Very low | 32 | Very low | 173 Ų | 173 | 165.8 Ų | 165.8 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | cis | -161.3 | 159 | 37.4 | -135.7 | 157.3 | 139.8 | 0 | 0 | 109.6 | ||||
| 240 | G | 29.8 | Very low | 32.1 | Very low | 63 Ų | 63 | 158.9 Ų | 158.9 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | cis | 174 | -179 | -4.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 241 | S | 31.6 | Very low | 32.2 | Very low | 111 Ų | 111 | 163.6 Ų | 163.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 63.4 | 105.6 | 164.2 | -59.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 242 | R | 36.5 | Very low | 32.3 | Very low | 231 Ų | 231 | 157.8 Ų | 157.8 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | cis | 89.3 | 110.2 | 44 | -69.7 | -178.3 | 177.8 | -178.8 | -0.4 | 115.9 | ||||
| 243 | R | 35.8 | Very low | 32.6 | Very low | 230 Ų | 230 | 158.9 Ų | 158.9 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | 169.4 | 111.6 | 123.8 | -91.6 | 179.9 | -173.8 | -138.8 | 2.8 | 109.6 | |||||
| 244 | D | 33.3 | Very low | 32.6 | Very low | 129 Ų | 129 | 164.3 Ų | 164.3 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | 63.5 | 99.6 | 85 | -63.1 | -70.1 | 0 | 0 | 0 | 111.9 | |||||
| 245 | D | 37.2 | Very low | 32.9 | Very low | 147 Ų | 147 | 171 Ų | 171 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | 85.4 | 128.3 | 72.8 | -87.6 | -67 | 0 | 0 | 0 | 115.3 | |||||
| 246 | R | 31.6 | Very low | 33.2 | Very low | 224 Ų | 224 | 171.8 Ų | 171.8 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 162.8 | 126.6 | 137.5 | -91 | 166.4 | -163.1 | -148.6 | 3.2 | 116.1 | ||||
| 247 | Y | 32.4 | Very low | 33.3 | Very low | 217 Ų | 217 | 170.3 Ų | 170.3 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | 61.2 | 160.8 | 136.9 | -79.3 | -118.3 | 0 | 0 | 0 | 119.7 | ||||
| 248 | D | 34.1 | Very low | 33.2 | Very low | 144 Ų | 144 | 170.7 Ų | 170.7 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | cis | -173 | 173.9 | -27 | 179.3 | -141.7 | 0 | 0 | 0 | 106.8 | ||||
| 249 | G | 30.6 | Very low | 33.6 | Very low | 64 Ų | 64 | 167 Ų | 167 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -73.3 | 158.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 250 | G | 32.3 | Very low | 34 | Very low | 81 Ų | 81 | 167.3 Ų | 167.3 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 104.9 | 131.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 251 | R | 33.4 | Very low | 34.4 | Very low | 233 Ų | 233 | 173.9 Ų | 173.9 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | -175.3 | 126.6 | 108.5 | -161.6 | 164.4 | -164.6 | -147.9 | 4.3 | 113.3 | |||||
| 252 | D | 36.5 | Very low | 34.8 | Very low | 105 Ų | 105 | 176.7 Ų | 176.7 | 56% | 0.561 | 80% | 0.803 | S | S | * | * | trans | 0.1 | 129.8 | 152.5 | -63.9 | -90.6 | 0 | 0 | 0 | 120.2 | ||||
| 253 | R | 35.7 | Very low | 35.1 | Very low | 215 Ų | 215 | 177.5 Ų | 177.5 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | 70.8 | 158.7 | 90.6 | -61.4 | 177.1 | 179.2 | 153.2 | -8.5 | 115.4 | |||||
| 254 | Y | 30.7 | Very low | 35.1 | Very low | 234 Ų | 234 | 177.1 Ų | 177.1 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | trans | 73.5 | 125 | -164 | -60.7 | -91.6 | 0 | 0 | 0 | 111.6 | ||||
| 255 | R | 33.8 | Very low | 35.1 | Very low | 238 Ų | 238 | 177.4 Ų | 177.4 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | cis | -156.9 | 113.6 | 33.8 | -173.3 | -177.3 | -152.7 | 163.6 | 4.8 | 112.5 | ||||
| 256 | D | 37.4 | Very low | 34.9 | Very low | 161 Ų | 161 | 181 Ų | 181 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -65.3 | 160.1 | 156.2 | -75.5 | -78.6 | 0 | 0 | 0 | 111.5 | ||||
| 257 | R | 34.4 | Very low | 34.8 | Very low | 197 Ų | 197 | 179.6 Ų | 179.6 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | 114.4 | 124.3 | 156.6 | -160.1 | -168.9 | -86.6 | -149.8 | -6.1 | 115.7 | ||||
| 258 | Y | 31.3 | Very low | 34.8 | Very low | 186 Ų | 186 | 175.5 Ų | 175.5 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | trans | 76.7 | 127 | 179.7 | -50.6 | -69.9 | 0 | 0 | 0 | 114.3 | ||||
| 259 | D | 36.7 | Very low | 34.9 | Very low | 124 Ų | 124 | 175.4 Ų | 175.4 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | cis | -140.5 | 122.4 | 10.2 | -102 | -69.9 | 0 | 0 | 0 | 113 | R261 | D259-R261 HydrophobicContact CB-CB 4.38Å; D259-R261 PolarHBondContact O-N 2.72Å | ||
| 260 | D | 38.5 | Very low | 35 | Very low | 180 Ų | 180 | 183.4 Ų | 183.4 | 96% | 0.963 | 81% | 0.808 | S | S | * | * | trans | -92 | 77.4 | 164.7 | -100.2 | -72.4 | 0 | 0 | 0 | 108.8 | ||||
| 261 | R | 38.8 | Very low | 35 | Very low | 200 Ų | 200 | 186.6 Ų | 186.6 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -141.2 | 5.9 | -166.2 | -129.8 | -172.6 | -170.4 | -167.2 | 3.9 | 121.9 | D259 | D259-R261 HydrophobicContact CB-CB 4.38Å; D259-R261 PolarHBondContact O-N 2.72Å | ||
| 262 | D | 39.3 | Very low | 35.2 | Very low | 170 Ų | 170 | 186.9 Ų | 186.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -125 | 40.6 | 176.6 | -72.8 | -66.8 | 0 | 0 | 0 | 114.2 | ||||
| 263 | R | 43.6 | Very low | 35.3 | Very low | 248 Ų | 248 | 192.5 Ų | 192.5 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | trans | -87.4 | 112.8 | 148.3 | -78.5 | -171.5 | -177 | 176.9 | 3.5 | 108.8 | ||||
| 264 | R | 35.8 | Very low | 35.1 | Very low | 223 Ų | 223 | 188.9 Ų | 188.9 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | 135.6 | 145.6 | 144.8 | -163.6 | 176.1 | -160.7 | 175.3 | 4.3 | 112.3 | ||||
| 265 | D | 33.6 | Very low | 35.2 | Very low | 135 Ų | 135 | 186.8 Ų | 186.8 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 70.5 | 126.1 | -179 | -49.5 | -48 | 0 | 0 | 0 | 113.2 | ||||
| 266 | R | 31.9 | Very low | 35.3 | Very low | 222 Ų | 222 | 183.3 Ų | 183.3 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -164.4 | 121.4 | 40.7 | 163.8 | 180 | -80.9 | -179.9 | -6.8 | 111.5 | ||||
| 267 | Y | 30.1 | Very low | 35.1 | Very low | 194 Ų | 194 | 187.6 Ų | 187.6 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | trans | 53.1 | 115.1 | 148.5 | -73.4 | -97 | 0 | 0 | 0 | 118.9 | ||||
| 268 | D | 31.7 | Very low | 35 | Very low | 131 Ų | 131 | 182.1 Ų | 182.1 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | 105.7 | 128.5 | 65.4 | -99 | -117.3 | 0 | 0 | 0 | 110.4 | |||||
| 269 | D | 36.5 | Very low | 35.2 | Very low | 143 Ų | 143 | 176.9 Ų | 176.9 | 77% | 0.765 | 82% | 0.819 | S | S | * | * | trans | 16.4 | 108.3 | 155.2 | -68.6 | -106.9 | 0 | 0 | 0 | 120.7 | ||||
| 270 | R | 33.6 | Very low | 35 | Very low | 232 Ų | 232 | 179.7 Ų | 179.7 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | trans | -156.9 | 158.3 | 133.3 | -111.5 | 168.5 | -138.1 | -154.5 | 3.3 | 113.1 | ||||
| 271 | D | 32.3 | Very low | 34.8 | Very low | 147 Ų | 147 | 177.8 Ų | 177.8 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | 70.9 | 55.1 | 166.7 | -49.8 | -31.2 | 0 | 0 | 0 | 117.6 | ||||
| 272 | R | 37.2 | Very low | 34.7 | Very low | 240 Ų | 240 | 172.7 Ų | 172.7 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -71.6 | 129.2 | 137 | -79.8 | -174.4 | 178 | -173.3 | 1.5 | 109.4 | ||||
| 273 | R | 38.4 | Very low | 34.3 | Very low | 223 Ų | 223 | 175.9 Ų | 175.9 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | 69 | 119.2 | 172.7 | -53.3 | 177.7 | -179.2 | 174.7 | 0.2 | 114.7 | ||||
| 274 | D | 31.1 | Very low | 33.8 | Very low | 138 Ų | 138 | 168.3 Ų | 168.3 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | -169.3 | 136.9 | 110.9 | -100.4 | -18.8 | 0 | 0 | 0 | 112.7 | |||||
| 275 | Y | 33.7 | Very low | 33.6 | Very low | 191 Ų | 191 | 161.5 Ų | 161.5 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | 41.3 | 110.8 | 166.1 | -64.7 | -86.8 | 0 | 0 | 0 | 119.6 | ||||
| 276 | D | 35.4 | Very low | 33.6 | Very low | 165 Ų | 165 | 159.2 Ų | 159.2 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | 43.6 | 73.7 | 69.5 | -70.4 | -59 | 0 | 0 | 0 | 113.9 | |||||
| 277 | R | 33.8 | Very low | 33.5 | Very low | 251 Ų | 251 | 152.2 Ų | 152.2 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | trans | -140.8 | 91.4 | 168.5 | -164.8 | 175.4 | -162.1 | -167 | 4.6 | 112.7 | ||||
| 278 | G | 32.7 | Very low | 33.7 | Very low | 81 Ų | 81 | 154.5 Ų | 154.5 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 161.8 | 42.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 279 | G | 35.3 | Very low | 34.1 | Very low | 77 Ų | 77 | 159.9 Ų | 159.9 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -75.2 | 141.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 280 | F | 32.3 | Very low | 33.8 | Very low | 183 Ų | 183 | 157.6 Ų | 157.6 | 80% | 0.803 | 83% | 0.833 | S | S | * | * | trans | -143.1 | 108.8 | 146 | -172.8 | -103.4 | 0 | 0 | 0 | 111 | S282 | F280-S282 WeakPolarHBondContact CE1-OG 3.28Š| ||
| 281 | D | 34.5 | Very low | 33.7 | Very low | 139 Ų | 139 | 157.2 Ų | 157.2 | 74% | 0.743 | 84% | 0.838 | S | S | * | * | trans | -68.2 | 125.4 | 172.1 | -67.4 | -94.1 | 0 | 0 | 0 | 112.3 | ||||
| 282 | S | 35.2 | Very low | 34 | Very low | 93 Ų | 93 | 153.6 Ų | 153.6 | 65% | 0.65 | 84% | 0.835 | S | S | * | * | trans | -146.3 | 70.3 | 148.6 | -82.6 | 0 | 0 | 0 | 0 | 112.4 | F280 | F280-S282 WeakPolarHBondContact CE1-OG 3.28Š| ||
| 283 | R | 32.1 | Very low | 34 | Very low | 237 Ų | 237 | 147.7 Ų | 147.7 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | trans | 57.4 | 100.9 | 131.4 | -61.2 | 174.5 | -177.1 | -163.8 | -1.3 | 118.3 | ||||
| 284 | G | 31.9 | Very low | 33.6 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 92% | 0.918 | 83% | 0.826 | S | S | * | * | trans | 100.8 | 99.4 | 135.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 285 | G | 31.3 | Very low | 33.5 | Very low | 80 Ų | 80 | 144.5 Ų | 144.5 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | 169.5 | 47.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 286 | G | 33.7 | Very low | 33.4 | Very low | 88 Ų | 88 | 146 Ų | 146 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | trans | -71.7 | 132.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 287 | G | 31.4 | Very low | 33.4 | Very low | 75 Ų | 75 | 148.5 Ų | 148.5 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | 166.7 | 104.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 288 | R | 34.5 | Very low | 33.2 | Very low | 241 Ų | 241 | 143 Ų | 143 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -66.5 | 131.9 | 173.9 | -55.5 | 173.8 | -173.9 | -91.1 | 2.3 | 111.2 | ||||
| 289 | R | 39.3 | Very low | 33.1 | Very low | 245 Ų | 245 | 150.8 Ų | 150.8 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | 52.7 | 118.8 | 151.8 | -54.9 | -177.5 | -171.9 | -175.5 | 3 | 120 | ||||
| 290 | A | 29.1 | Very low | 33 | Very low | 95 Ų | 95 | 155.9 Ų | 155.9 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -146.7 | 104.8 | 139 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 291 | F | 32.9 | Very low | 33 | Very low | 223 Ų | 223 | 155.3 Ų | 155.3 | 98% | 0.978 | 84% | 0.835 | S | S | * | * | 47.5 | 89 | 88.5 | -129.9 | -81.5 | 0 | 0 | 0 | 112.9 | |||||
| 292 | G | 39.1 | Very low | 32.9 | Very low | 72 Ų | 72 | 151.7 Ų | 151.7 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | 159.9 | 59.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 293 | S | 35.8 | Very low | 32.7 | Very low | 116 Ų | 116 | 159.5 Ų | 159.5 | 81% | 0.811 | 85% | 0.846 | S | S | * | * | trans | -166.5 | 94.9 | 156.7 | 40.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 294 | S | 31.2 | Very low | 32.6 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 74% | 0.741 | 84% | 0.839 | S | S | * | * | trans | -162.2 | 146.9 | 156.9 | -82 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 295 | F | 27.8 | Very low | 32.6 | Very low | 187 Ų | 187 | 153 Ų | 153 | 82% | 0.82 | 83% | 0.834 | S | S | * | * | S | Bend | trans | 74.1 | 125.2 | -169.7 | -51.9 | -62.9 | 0 | 0 | 0 | 115.4 | ||
| 296 | R | 33 | Very low | 32.8 | Very low | 222 Ų | 222 | 155.1 Ų | 155.1 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | cis | -140.6 | 145.6 | -22.3 | -78.7 | -171 | -170.1 | -162.5 | 2.4 | 107.7 | ||||
| 297 | R | 34.3 | Very low | 32.8 | Very low | 218 Ų | 218 | 158.1 Ų | 158.1 | 82% | 0.823 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -96.8 | 151.8 | 151.5 | -152.3 | -168.2 | -92.4 | -171.5 | -7.5 | 107.4 | ||
| 298 | D | 29.2 | Very low | 33.5 | Very low | 136 Ų | 136 | 164.7 Ų | 164.7 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | 71.3 | 116 | 164.4 | -47.3 | -48 | 0 | 0 | 0 | 117 | ||||
| 299 | Y | 31.7 | Very low | 33.9 | Very low | 244 Ų | 244 | 164.3 Ų | 164.3 | 96% | 0.957 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 159.2 | 164.4 | -122 | -94.2 | 0 | 0 | 0 | 108.6 | ||
| 300 | E | 32.4 | Very low | 34 | Very low | 185 Ų | 185 | 155.9 Ų | 155.9 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 145.9 | -178.9 | -151 | 175.9 | 174.6 | 0 | 0 | 112.8 | ||
| 301 | D | 32.4 | Very low | 34.6 | Very low | 170 Ų | 170 | 159.5 Ų | 159.5 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 123 | 171.2 | -120 | -65.5 | 0 | 0 | 0 | 110.2 | ||
| 302 | G | 32.9 | Very low | 35 | Very low | 63 Ų | 63 | 157.6 Ų | 157.6 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | trans | -136.6 | 2.7 | -156.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 303 | R | 31.5 | Very low | 35.3 | Very low | 258 Ų | 258 | 161.1 Ų | 161.1 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | trans | 70.3 | 137.5 | 179.1 | -46.6 | 174.7 | 178 | -169.3 | -1 | 117.1 | ||||
| 304 | G | 29.6 | Very low | 35.9 | Very low | 73 Ų | 73 | 166.9 Ų | 166.9 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 145.3 | 81.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 305 | S | 31.7 | Very low | 36.4 | Very low | 116 Ų | 116 | 172.2 Ų | 172.2 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | 62.3 | 102.1 | 150 | -164.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 306 | N | 34.3 | Very low | 37.3 | Very low | 124 Ų | 124 | 165.2 Ų | 165.2 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | 49.9 | 105.5 | 126.8 | -168.3 | 82.3 | 0 | 0 | 0 | 118.5 | |||||
| 307 | D | 34.9 | Very low | 38.1 | Very low | 152 Ų | 152 | 161.9 Ų | 161.9 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | -155.9 | 142.8 | 110.7 | -97.5 | -39.3 | 0 | 0 | 0 | 113.2 | |||||
| 308 | R | 44.9 | Very low | 38.7 | Very low | 212 Ų | 212 | 160.9 Ų | 160.9 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -80.7 | 149.7 | 170.7 | -73.8 | 170.8 | 163.7 | 158.7 | -6.4 | 109.1 | ||||
| 309 | Y | 44.7 | Very low | 39.4 | Very low | 233 Ų | 233 | 159.7 Ų | 159.7 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | 76.6 | 110.8 | 176.3 | -56.5 | -86.9 | 0 | 0 | 0 | 115.6 | ||||
| 310 | G | 40.4 | Very low | 40.2 | Very low | 68 Ų | 68 | 153.8 Ų | 153.8 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 178.9 | 3.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | K312 | G310-K312 PolarHBondContact O-N 3.48Š| ||
| 311 | D | 41.7 | Very low | 41.2 | Very low | 171 Ų | 171 | 155 Ų | 155 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 73.5 | 178.2 | -169.3 | -120.4 | 0 | 0 | 0 | 111.4 | ||
| 312 | K | 41.5 | Very low | 41.7 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.9 | -10.9 | 174.7 | -137.3 | -173.2 | 174.6 | -172.3 | 0 | 119 | G310 | G310-K312 PolarHBondContact O-N 3.48Š|
| 313 | D | 44.6 | Very low | 42.5 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | -101.7 | 21.9 | -167.1 | -59.2 | -56.5 | 0 | 0 | 0 | 115.6 | Y315 | D313-Y315 VanDerWaalsContact C-N 3.31Å; D313-Y315 PolarHBondContact O-N 2.87Å | ||
| 314 | R | 48.8 | Very low | 43.4 | Very low | 238 Ų | 238 | 154.5 Ų | 154.5 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 7.4 | -179.8 | -139.9 | 178.9 | -157 | 169.9 | 9.4 | 115.7 | ||
| 315 | Y | 41.2 | Very low | 44.3 | Very low | 217 Ų | 217 | 160.4 Ų | 160.4 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 2.3 | -176 | -83 | -84.6 | 0 | 0 | 0 | 115.1 | D313 | D313-Y315 VanDerWaalsContact C-N 3.31Å; D313-Y315 PolarHBondContact O-N 2.87Å |
| 316 | G | 48.3 | Very low | 44.9 | Very low | 41 Ų | 41 | 159.6 Ų | 159.6 | 42% | 0.423 | 74% | 0.735 | S | S | . | * | S | Bend | trans | -84.4 | -43 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R318 D319 | G316-R318 PolarHBondContact O-N 2.69Å; G316-D319 PolarHBondContact O-N 3.16Å |
| 317 | D | 48.2 | Very low | 45.5 | Very low | 151 Ų | 151 | 159.6 Ų | 159.6 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -8.7 | -164.7 | -160.3 | -106.8 | 0 | 0 | 0 | 116 | ||
| 318 | R | 46.9 | Very low | 46.2 | Very low | 198 Ų | 198 | 162.9 Ų | 162.9 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -30.6 | -176.6 | -161.7 | 165.3 | -161.7 | 167.2 | 6.9 | 114.1 | G316 Y322 | G316-R318 PolarHBondContact O-N 2.69Å; R318-Y322 WeakPolarHBondContact O-CD2 3.46Å |
| 319 | D | 45.2 | Very low | 46.4 | Very low | 110 Ų | 110 | 162.1 Ų | 162.1 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -36.8 | -173.6 | -68.8 | -50.9 | 0 | 0 | 0 | 112.2 | G316 R321 Y322 | G316-D319 PolarHBondContact O-N 3.16Å; D319-R321 PolarHBondContact O-N 2.83Å; D319-Y322 PolarHBondContact O-N 3.3Å |
| 320 | D | 48.5 | Very low | 46.5 | Very low | 121 Ų | 121 | 159.6 Ų | 159.6 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -54.1 | -19.8 | 174.4 | -75.8 | -67.2 | 0 | 0 | 0 | 114.5 | ||
| 321 | R | 52.1 | Low | 46.7 | Very low | 210 Ų | 210 | 165 Ų | 165 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -78.4 | -17.9 | 178.8 | -150.9 | 178.4 | -146.7 | -173.3 | 9.6 | 113.7 | D319 | D319-R321 PolarHBondContact O-N 2.83Å |
| 322 | Y | 42.9 | Very low | 47.2 | Very low | 155 Ų | 155 | 167.5 Ų | 167.5 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -93.5 | -49.2 | -178.1 | -72.3 | -83.9 | 0 | 0 | 0 | 111.8 | R318 D319 R324 R325 | R318-Y322 WeakPolarHBondContact O-CD2 3.46Å; D319-Y322 PolarHBondContact O-N 3.3Å; Y322-R324 PolarHBondContact O-N 3.33Å; Y322-R325 VanDerWaalsContact O-CB 3.24Å; Y322-R325 WeakPolarHBondContact O-CB 3.48Å; Y322-R325 PolarHBondContact O-N 3.06Å |
| 323 | D | 50 | Low | 47.9 | Very low | 115 Ų | 115 | 162.2 Ų | 162.2 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -59.3 | -44.9 | -179.6 | -70.7 | -66.3 | 0 | 0 | 0 | 112.9 | R325 D326 D327 | D323-R325 PolarHBondContact O-N 3.37Å; D323-D326 PolarHBondContact O-N 3.47Å; D323-D327 PolarHBondContact O-N 2.95Å |
| 324 | R | 51.2 | Low | 48.3 | Very low | 210 Ų | 210 | 161 Ų | 161 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -59.5 | -13.9 | 176.6 | -176 | 173.5 | -76.8 | -174.3 | -1.1 | 113.6 | Y322 | Y322-R324 PolarHBondContact O-N 3.33Å |
| 325 | R | 47.8 | Very low | 48.8 | Very low | 197 Ų | 197 | 158.7 Ų | 158.7 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -87 | -33.2 | 177.3 | -159.3 | 177.7 | -161.6 | -145.9 | 3.5 | 113.1 | Y322 D323 | Y322-R325 VanDerWaalsContact O-CB 3.24Å; Y322-R325 WeakPolarHBondContact O-CB 3.48Å; Y322-R325 PolarHBondContact O-N 3.06Å; D323-R325 PolarHBondContact O-N 3.37Å |
| 326 | D | 44.9 | Very low | 49.6 | Very low | 100 Ų | 100 | 157.3 Ų | 157.3 | 54% | 0.535 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -87.2 | -34.4 | -177.9 | -81.8 | -56.9 | 0 | 0 | 0 | 112.5 | D323 R328 R329 E330 | D323-D326 PolarHBondContact O-N 3.47Å; D326-R328 PolarHBondContact O-N 2.78Å; D326-R329 WeakPolarHBondContact O-CA 3.29Å; D326-R329 VanDerWaalsContact O-CB 3.23Å; D326-R329 WeakPolarHBondContact O-CB 3.45Å; D326-R329 PolarHBondContact O-N 3.45Å; D326-E330 PolarHBondContact O-N 2.82Å |
| 327 | D | 45.8 | Very low | 50.3 | Low | 123 Ų | 123 | 166.4 Ų | 166.4 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -53.9 | -41.5 | 171 | -78.1 | -40.8 | 0 | 0 | 0 | 112.1 | D323 R329 | D323-D327 PolarHBondContact O-N 2.95Å; D327-R329 PolarHBondContact O-N 2.97Å; D327-R329 VanDerWaalsContact O-N 3.12Å |
| 328 | R | 51.2 | Low | 50.9 | Low | 221 Ų | 221 | 165.1 Ų | 165.1 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -70.3 | -6.2 | 179 | -148.5 | -174.3 | -166.7 | -151 | 5 | 113.4 | D326 | D326-R328 PolarHBondContact O-N 2.78Å |
| 329 | R | 48 | Very low | 51.9 | Low | 197 Ų | 197 | 164.8 Ų | 164.8 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -101.7 | -30.6 | -176.1 | -162.6 | 170.6 | -170.8 | -99.3 | -2.9 | 112.8 | D326 D327 | D326-R329 WeakPolarHBondContact O-CA 3.29Å; D326-R329 VanDerWaalsContact O-CB 3.23Å; D326-R329 WeakPolarHBondContact O-CB 3.45Å; D326-R329 PolarHBondContact O-N 3.45Å; D327-R329 PolarHBondContact O-N 2.97Å; D327-R329 VanDerWaalsContact O-N 3.12Å |
| 330 | E | 47.1 | Very low | 52.7 | Low | 179 Ų | 179 | 166.5 Ų | 166.5 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -86.7 | -25.4 | -176.7 | -63.2 | -159.2 | 139.9 | 0 | 0 | 114.2 | D326 R332 | D326-E330 PolarHBondContact O-N 2.82Å; E330-R332 VanDerWaalsContact C-N 3.32Å; E330-R332 PolarHBondContact O-N 2.75Å |
| 331 | E | 43.9 | Very low | 53.4 | Low | 181 Ų | 181 | 167.9 Ų | 167.9 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -72.5 | -21 | -178.9 | -157.2 | -178.4 | -161.2 | 0 | 0 | 113.7 | A333 | E331-A333 PolarHBondContact O-N 3.33Š|
| 332 | R | 52.1 | Low | 53.9 | Low | 224 Ų | 224 | 164.6 Ų | 164.6 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -89 | 65 | -173.5 | -157.9 | 174.3 | -172.5 | 177 | 3.2 | 113.7 | E330 | E330-R332 VanDerWaalsContact C-N 3.32Å; E330-R332 PolarHBondContact O-N 2.75Å | ||
| 333 | A | 56.8 | Low | 55.4 | Low | 74 Ų | 74 | 166.3 Ų | 166.3 | 61% | 0.612 | 77% | 0.774 | S | S | * | * | trans | -55.4 | 138.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E331 Q335 | E331-A333 PolarHBondContact O-N 3.33Å; A333-Q335 PolarHBondContact O-N 2.87Å | ||
| 334 | P | 53.1 | Low | 56.3 | Low | 119 Ų | 119 | 166.6 Ų | 166.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -71.5 | 106.6 | -172.3 | 27.2 | -34.3 | 0 | 0 | 0 | 111.5 | Q336 | P334-Q336 PolarHBondContact O-N 3.36Å; P334-Q336 VanDerWaalsContact O-N 3.12Å | ||
| 335 | Q | 58.8 | Low | 56 | Low | 190 Ų | 190 | 168.1 Ų | 168.1 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -61 | 113.4 | 170.9 | -69.8 | -178.3 | -14.5 | 0 | 0 | 109.8 | A333 R337 | A333-Q335 PolarHBondContact O-N 2.87Å; Q335-R337 PolarHBondContact O-N 2.84Å | ||
| 336 | Q | 58.2 | Low | 56.3 | Low | 187 Ų | 187 | 164.1 Ų | 164.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 126.2 | 178.9 | -65.2 | -176.2 | 3.2 | 0 | 0 | 110 | P334 | P334-Q336 PolarHBondContact O-N 3.36Å; P334-Q336 VanDerWaalsContact O-N 3.12Å |
| 337 | R | 63.2 | Low | 56.6 | Low | 232 Ų | 232 | 165 Ų | 165 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 139.8 | 173.9 | -71.8 | -179.4 | 169.5 | -169.3 | -5.1 | 110.4 | Q335 K339 | Q335-R337 PolarHBondContact O-N 2.84Å; R337-K339 PolarHBondContact O-N 2.68Å |
| 338 | P | 61.3 | Low | 56.8 | Low | 125 Ų | 125 | 165.3 Ų | 165.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 135.1 | 175.9 | 25.5 | -33.6 | 0 | 0 | 0 | 110.5 | L340 | P338-L340 PolarHBondContact O-N 3.15Š|
| 339 | K | 68.1 | Low | 56.2 | Low | 191 Ų | 191 | 162 Ų | 162 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -67 | 114.7 | -177.9 | -81.8 | 175.2 | 174.5 | 171.9 | 0 | 110.8 | R337 N341 | R337-K339 PolarHBondContact O-N 2.68Å; K339-N341 PolarHBondContact O-N 2.73Å; K339-N341 VanDerWaalsContact O-N 3.13Å | ||
| 340 | L | 61.7 | Low | 55.8 | Low | 145 Ų | 145 | 159.8 Ų | 159.8 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -68.7 | 104.4 | 168.7 | -176.4 | 68.1 | 0 | 0 | 0 | 109.1 | P338 L342 | P338-L340 PolarHBondContact O-N 3.15Å; L340-L342 VanDerWaalsContact C-N 3.3Å; L340-L342 HydrophobicContact CB-CD1 4.47Å; L340-L342 HydrophobicContact CD2-CD1 3.77Å; L340-L342 HydrophobicContact CD2-CG 4.4Å; L340-L342 HydrophobicContact CG-CD1 3.96Å; L340-L342 PolarHBondContact O-N 3.06Å | ||
| 341 | N | 63.8 | Low | 55.4 | Low | 150 Ų | 150 | 160.6 Ų | 160.6 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -74.8 | 82.7 | 174.1 | -70.2 | -31.7 | 0 | 0 | 0 | 109.8 | K339 K343 | K339-N341 PolarHBondContact O-N 2.73Å; K339-N341 VanDerWaalsContact O-N 3.13Å; N341-K343 PolarHBondContact O-N 2.65Å | ||
| 342 | L | 61.2 | Low | 54.9 | Low | 141 Ų | 141 | 160.6 Ų | 160.6 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 121.1 | 165 | -75.6 | 99 | 0 | 0 | 0 | 108.5 | L340 | L340-L342 VanDerWaalsContact C-N 3.3Å; L340-L342 HydrophobicContact CB-CD1 4.47Å; L340-L342 HydrophobicContact CD2-CD1 3.77Å; L340-L342 HydrophobicContact CD2-CG 4.4Å; L340-L342 HydrophobicContact CG-CD1 3.96Å; L340-L342 PolarHBondContact O-N 3.06Å |
| 343 | K | 74.2 | Confident | 53.9 | Low | 192 Ų | 192 | 153.4 Ų | 153.4 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 136.8 | 163.2 | -66.4 | 179.1 | -179.9 | 178 | 0 | 107.6 | N341 R345 | N341-K343 PolarHBondContact O-N 2.65Å; K343-R345 PolarHBondContact O-N 3.34Å |
| 344 | P | 69.4 | Low | 52.6 | Low | 121 Ų | 121 | 157.3 Ų | 157.3 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 132.3 | -177.3 | 23.4 | -33.3 | 0 | 0 | 0 | 109.7 | S346 | P344-S346 PolarHBondContact O-N 3.41Š|
| 345 | R | 46.1 | Very low | 51.5 | Low | 241 Ų | 241 | 156.2 Ų | 156.2 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 135.2 | 164.6 | -93.5 | 179.5 | 160.8 | 141.8 | -5.4 | 107.8 | K343 V347 | K343-R345 PolarHBondContact O-N 3.34Å; R345-V347 PolarHBondContact O-N 3.28Å; R345-V347 VanDerWaalsContact O-N 3.13Å |
| 346 | S | 52.8 | Low | 50.2 | Low | 114 Ų | 114 | 152.8 Ų | 152.8 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 118.5 | 176.4 | 47 | 0 | 0 | 0 | 0 | 110.5 | P344 | P344-S346 PolarHBondContact O-N 3.41Š|
| 347 | V | 51.6 | Low | 48.9 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 142.5 | 158.1 | 177.8 | 0 | 0 | 0 | 0 | 107.6 | R345 K349 | R345-V347 PolarHBondContact O-N 3.28Å; R345-V347 VanDerWaalsContact O-N 3.13Å; V347-K349 PolarHBondContact O-N 3.31Å |
| 348 | P | 50.7 | Low | 47.4 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -59.1 | 105.2 | 167.6 | 25.8 | -34.1 | 0 | 0 | 0 | 109.2 | ||||
| 349 | K | 38.6 | Very low | 46 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -108.1 | 136.6 | 160.8 | -132.6 | -160.4 | 173.9 | -157.3 | 0 | 104 | V347 | V347-K349 PolarHBondContact O-N 3.31Š| ||
| 350 | E | 39.2 | Very low | 44.4 | Very low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 79% | 0.789 | S | S | * | * | cis | -143.4 | 146.9 | 24.6 | -71.1 | 150.9 | 177.3 | 0 | 0 | 110.5 | ||||
| 351 | E | 37.8 | Very low | 43.8 | Very low | 196 Ų | 196 | 136 Ų | 136 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | -143.5 | 100.6 | 126.1 | -73.6 | -159.1 | 163.7 | 0 | 0 | 107.2 | |||||
| 352 | E | 35.1 | Very low | 42.2 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -82.2 | 114.7 | 157.8 | -79.6 | -165 | -154 | 0 | 0 | 107.7 | ||||
| 353 | G | 30.4 | Very low | 41.1 | Very low | 73 Ų | 73 | 133.7 Ų | 133.7 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -155.8 | 61.4 | -174 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 354 | N | 30 | Very low | 40 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -73.8 | 151.8 | 174.6 | -162.6 | 45.6 | 0 | 0 | 0 | 110.6 | ||||
| 355 | S | 29.5 | Very low | 39 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 78 | 110.7 | 168 | 75.7 | 0 | 0 | 0 | 0 | 119.7 | ||
| 356 | S | 31.7 | Very low | 38.5 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 38.8 | 112.6 | 132.2 | 60 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 357 | G | 29.6 | Very low | 37.8 | Very low | 79 Ų | 79 | 123.7 Ų | 123.7 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | 172.6 | 102.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 358 | G | 32.4 | Very low | 36.9 | Very low | 67 Ų | 67 | 122 Ų | 122 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | 72.7 | 110.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 359 | T | 33.1 | Very low | 36.8 | Very low | 146 Ų | 146 | 119.2 Ų | 119.2 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | 61.7 | 117.4 | 134.3 | 59.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 360 | S | 32.9 | Very low | 37 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -49.6 | 164.1 | 145.7 | -44.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 361 | P | 49.5 | Very low | 37.3 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | cis | -148.5 | -169.8 | 28.1 | 42.4 | -20.7 | 0 | 0 | 0 | 118 | ||||
| 362 | A | 30.6 | Very low | 37.9 | Very low | 100 Ų | 100 | 117.2 Ų | 117.2 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 97.5 | 144.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 363 | V | 37.7 | Very low | 38.9 | Very low | 141 Ų | 141 | 113.5 Ų | 113.5 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -123 | 168.5 | 176.2 | -136.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 364 | P | 50.7 | Low | 40.4 | Very low | 113 Ų | 113 | 117.9 Ų | 117.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | cis | -138.4 | -143.5 | 2.4 | 46.5 | -25.4 | 0 | 0 | 0 | 111.6 | ||||
| 365 | P | 49.6 | Very low | 41.7 | Very low | 113 Ų | 113 | 119 Ų | 119 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -124.1 | 177.1 | -32.9 | 33.9 | -15.1 | 0 | 0 | 0 | 115 | ||||
| 366 | S | 36.2 | Very low | 42.8 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -18.8 | 133.6 | 166.4 | 58 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 367 | S | 36.3 | Very low | 44 | Very low | 124 Ų | 124 | 116 Ų | 116 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | 174.6 | 117.5 | 105.4 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 368 | G | 34.3 | Very low | 45.4 | Very low | 84 Ų | 84 | 116.5 Ų | 116.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -110.2 | 119.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 369 | G | 47.5 | Very low | 47.2 | Very low | 70 Ų | 70 | 122.2 Ų | 122.2 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -84.3 | 159.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 370 | R | 43.1 | Very low | 48.8 | Very low | 235 Ų | 235 | 120.9 Ų | 120.9 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | 171.1 | 102.9 | 150.1 | -98.6 | 159.3 | 167.8 | -151.5 | -7 | 111.6 | S372 | R370-S372 VanDerWaalsContact C-N 3.26Å; R370-S372 PolarHBondContact O-N 3.01Å | ||
| 371 | S | 45.8 | Very low | 50.2 | Low | 134 Ų | 134 | 121.2 Ų | 121.2 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | trans | -85.1 | 67.6 | 159.1 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | S373 | S371-S373 PolarHBondContact O-N 2.96Š| ||
| 372 | S | 49.8 | Very low | 51 | Low | 88 Ų | 88 | 121.2 Ų | 121.2 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | trans | -84.1 | 105.6 | 180 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | R370 | R370-S372 VanDerWaalsContact C-N 3.26Å; R370-S372 PolarHBondContact O-N 3.01Å | ||
| 373 | S | 55.6 | Low | 52.8 | Low | 102 Ų | 102 | 120.8 Ų | 120.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 29.6 | 88.4 | 151.7 | -150.5 | 0 | 0 | 0 | 0 | 117.1 | S371 F375 | S371-S373 PolarHBondContact O-N 2.96Å; S373-F375 VanDerWaalsContact C-N 3.33Å; S373-F375 PolarHBondContact OG-O 3.19Å | ||
| 374 | I | 62.8 | Low | 54.3 | Low | 165 Ų | 165 | 117.3 Ų | 117.3 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -72.7 | -26.1 | 175.3 | -68.7 | 175.5 | 0 | 0 | 0 | 112.2 | ||
| 375 | F | 57.2 | Low | 55.3 | Low | 180 Ų | 180 | 115.1 Ų | 115.1 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -89.2 | 117.1 | 166.3 | -68.4 | -81.9 | 0 | 0 | 0 | 108.8 | S373 | S373-F375 VanDerWaalsContact C-N 3.33Å; S373-F375 PolarHBondContact OG-O 3.19Å |
| 376 | G | 53.7 | Low | 56.6 | Low | 63 Ų | 63 | 115.5 Ų | 115.5 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | trans | -59.8 | 153.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | A378 | G376-A378 PolarHBondContact O-N 3.28Š| ||
| 377 | G | 55.8 | Low | 58.5 | Low | 88 Ų | 88 | 116.1 Ų | 116.1 | 91% | 0.907 | 73% | 0.727 | S | S | * | * | trans | -67.1 | 59.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | K379 | G377-K379 PolarHBondContact O-N 3.03Š| ||
| 378 | A | 59.4 | Low | 60.6 | Low | 90 Ų | 90 | 119.3 Ų | 119.3 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.4 | 160 | 0 | 0 | 0 | 0 | 0 | 108.1 | G376 | G376-A378 PolarHBondContact O-N 3.28Š|
| 379 | K | 69.2 | Low | 63 | Low | 187 Ų | 187 | 120.5 Ų | 120.5 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 136.3 | 167.5 | -66.1 | 177.6 | 177.1 | -179.7 | 0 | 107.7 | G377 V381 | G377-K379 PolarHBondContact O-N 3.03Å; K379-V381 PolarHBondContact O-N 2.82Å |
| 380 | P | 67.8 | Low | 64.8 | Low | 117 Ų | 117 | 121.2 Ų | 121.2 | 76% | 0.76 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 132.2 | 174.4 | 25.3 | -33.2 | 0 | 0 | 0 | 108.9 | ||
| 381 | V | 62.6 | Low | 66.7 | Low | 120 Ų | 120 | 116.2 Ų | 116.2 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -77 | 127.9 | 170.2 | 177.1 | 0 | 0 | 0 | 0 | 106.6 | K379 T383 | K379-V381 PolarHBondContact O-N 2.82Å; V381-T383 VanDerWaalsContact C-N 3.3Å; V381-T383 PolarHBondContact O-N 2.87Å |
| 382 | D | 66 | Low | 68.7 | Low | 123 Ų | 123 | 116.3 Ų | 116.3 | 66% | 0.658 | 67% | 0.666 | S | S | * | * | trans | -68.1 | 85 | -179.6 | -67.7 | -51.4 | 0 | 0 | 0 | 111 | A384 A385 K386 | D382-A384 PolarHBondContact O-N 3.03Å; D382-A385 HydrophobicContact CB-CB 4.17Å; D382-A385 WeakPolarHBondContact O-CB 3.3Å; D382-A385 PolarHBondContact O-N 2.95Å; D382-K386 PolarHBondContact O-N 3.22Å | ||
| 383 | T | 68.3 | Low | 70.3 | Confident | 92 Ų | 92 | 121.5 Ų | 121.5 | 56% | 0.564 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -56.2 | -35.7 | 179.7 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | V381 A385 K386 E387 | V381-T383 VanDerWaalsContact C-N 3.3Å; V381-T383 PolarHBondContact O-N 2.87Å; T383-A385 VanDerWaalsContact C-N 3.28Å; T383-A385 PolarHBondContact O-N 2.98Å; T383-K386 CarbonylContact O-C 3.58Å; T383-K386 WeakPolarHBondContact O-CB 3.08Å; T383-K386 PolarHBondContact O-N 3.44Å; T383-K386 VanDerWaalsContact O-N 3.08Å; T383-E387 WeakPolarHBondContact O-CB 3.19Å; T383-E387 WeakPolarHBondContact O-CG 3.43Å; T383-E387 PolarHBondContact O-N 3.37Å |
| 384 | A | 69.6 | Low | 71.8 | Confident | 68 Ų | 68 | 121.4 Ų | 121.4 | 56% | 0.562 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -62.7 | -28.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D382 R388 | D382-A384 PolarHBondContact O-N 3.03Å; A384-R388 PolarHBondContact O-N 3.08Å |
| 385 | A | 71.8 | Confident | 73 | Confident | 67 Ų | 67 | 120.5 Ų | 120.5 | 55% | 0.554 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -77.2 | -38.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D382 T383 E389 | D382-A385 HydrophobicContact CB-CB 4.17Å; D382-A385 WeakPolarHBondContact O-CB 3.3Å; D382-A385 PolarHBondContact O-N 2.95Å; T383-A385 VanDerWaalsContact C-N 3.28Å; T383-A385 PolarHBondContact O-N 2.98Å; A385-E389 PolarHBondContact O-N 3.06Å |
| 386 | K | 75.4 | Confident | 74.7 | Confident | 120 Ų | 120 | 118.6 Ų | 118.6 | 52% | 0.522 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.6 | -39.7 | 178.1 | -157.4 | 73.2 | -169.6 | 151.5 | 0 | 112.6 | D382 T383 E389 V390 | D382-K386 PolarHBondContact O-N 3.22Å; T383-K386 CarbonylContact O-C 3.58Å; T383-K386 WeakPolarHBondContact O-CB 3.08Å; T383-K386 PolarHBondContact O-N 3.44Å; T383-K386 VanDerWaalsContact O-N 3.08Å; K386-E389 IonicContact NZ-OE1 3.15Å; K386-E389 IonicContact NZ-OE2 2.73Å; K386-E389 PolarHBondContact NZ-OE2 2.79Å; K386-E389 PolarHBondContact O-N 3.38Å; K386-V390 WeakPolarHBondContact O-CG2 3.47Å; K386-V390 PolarHBondContact O-N 3.21Å; K386-V390 VanDerWaalsContact O-N 3.12Å |
| 387 | E | 77.3 | Confident | 76.2 | Confident | 122 Ų | 122 | 121.5 Ų | 121.5 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.3 | -40.3 | 177.1 | -75.4 | 173.7 | 148.9 | 0 | 0 | 111.4 | T383 E389 V390 E391 | T383-E387 WeakPolarHBondContact O-CB 3.19Å; T383-E387 WeakPolarHBondContact O-CG 3.43Å; T383-E387 PolarHBondContact O-N 3.37Å; E387-E389 PolarHBondContact O-N 3.15Å; E387-V390 CarbonylContact O-C 3.6Å; E387-V390 WeakPolarHBondContact O-CB 3.4Å; E387-V390 PolarHBondContact O-N 3.24Å; E387-V390 VanDerWaalsContact O-N 3.12Å; E387-E391 WeakPolarHBondContact O-CG 3.2Å; E387-E391 PolarHBondContact O-N 3.18Å |
| 388 | R | 80.1 | Confident | 77.7 | Confident | 191 Ų | 191 | 123 Ų | 123 | 72% | 0.721 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.8 | -37.7 | 172.9 | -81.1 | -172.8 | 170.3 | -174.7 | -1.6 | 113.7 | A384 V390 E391 E392 | A384-R388 PolarHBondContact O-N 3.08Å; R388-V390 VanDerWaalsContact C-N 3.29Å; R388-V390 PolarHBondContact O-N 2.77Å; R388-E391 PolarHBondContact O-N 2.84Å; R388-E392 WeakPolarHBondContact O-CB 3.24Å; R388-E392 PolarHBondContact O-N 3.31Å |
| 389 | E | 85.3 | Confident | 79 | Confident | 109 Ų | 109 | 124.7 Ų | 124.7 | 51% | 0.509 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.4 | -38 | 173.4 | -171.3 | -169.1 | 177.6 | 0 | 0 | 111.3 | A385 K386 E387 R393 | A385-E389 PolarHBondContact O-N 3.06Å; K386-E389 IonicContact NZ-OE1 3.15Å; K386-E389 IonicContact NZ-OE2 2.73Å; K386-E389 PolarHBondContact NZ-OE2 2.79Å; K386-E389 PolarHBondContact O-N 3.38Å; E387-E389 PolarHBondContact O-N 3.15Å; E389-R393 PolarHBondContact O-N 3.29Å; E389-R393 VanDerWaalsContact O-N 3.15Å |
| 390 | V | 84.6 | Confident | 80 | Confident | 84 Ų | 84 | 123.9 Ų | 123.9 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.5 | -45.5 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | K386 E387 R388 R393 L394 | K386-V390 WeakPolarHBondContact O-CG2 3.47Å; K386-V390 PolarHBondContact O-N 3.21Å; K386-V390 VanDerWaalsContact O-N 3.12Å; E387-V390 CarbonylContact O-C 3.6Å; E387-V390 WeakPolarHBondContact O-CB 3.4Å; E387-V390 PolarHBondContact O-N 3.24Å; E387-V390 VanDerWaalsContact O-N 3.12Å; R388-V390 VanDerWaalsContact C-N 3.29Å; R388-V390 PolarHBondContact O-N 2.77Å; V390-R393 WeakPolarHBondContact O-CB 3.31Å; V390-R393 PolarHBondContact O-N 2.98Å; V390-L394 PolarHBondContact O-N 3.01Å |
| 391 | E | 83.3 | Confident | 80.9 | Confident | 131 Ų | 131 | 123 Ų | 123 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.2 | -43.1 | 176 | -73.9 | 178.5 | 169 | 0 | 0 | 112 | E387 R388 R393 L394 K395 | E387-E391 WeakPolarHBondContact O-CG 3.2Å; E387-E391 PolarHBondContact O-N 3.18Å; R388-E391 PolarHBondContact O-N 2.84Å; E391-R393 VanDerWaalsContact C-N 3.33Å; E391-R393 PolarHBondContact O-N 2.9Å; E391-L394 PolarHBondContact O-N 3.4Å; E391-K395 VanDerWaalsContact O-CB 3.29Å; E391-K395 WeakPolarHBondContact O-CB 3.31Å; E391-K395 PolarHBondContact O-N 3.45Å |
| 392 | E | 87.6 | Confident | 81.8 | Confident | 135 Ų | 135 | 123.9 Ų | 123.9 | 63% | 0.631 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.6 | -40 | 175.5 | -168.2 | -173.8 | 146.4 | 0 | 0 | 111.1 | R388 K396 | R388-E392 WeakPolarHBondContact O-CB 3.24Å; R388-E392 PolarHBondContact O-N 3.31Å; E392-K396 WeakPolarHBondContact O-CB 3.33Å; E392-K396 PolarHBondContact O-N 3.49Å |
| 393 | R | 84 | Confident | 82.7 | Confident | 198 Ų | 198 | 126.4 Ų | 126.4 | 75% | 0.747 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.7 | -45.7 | 174.6 | -108.1 | -160.3 | 172.5 | -138.8 | 0.7 | 112.6 | E389 V390 E391 K396 E397 | E389-R393 PolarHBondContact O-N 3.29Å; E389-R393 VanDerWaalsContact O-N 3.15Å; V390-R393 WeakPolarHBondContact O-CB 3.31Å; V390-R393 PolarHBondContact O-N 2.98Å; E391-R393 VanDerWaalsContact C-N 3.33Å; E391-R393 PolarHBondContact O-N 2.9Å; R393-K396 PolarHBondContact O-N 2.98Å; R393-E397 PolarHBondContact O-N 3.32Å |
| 394 | L | 85.8 | Confident | 83.4 | Confident | 99 Ų | 99 | 126.7 Ų | 126.7 | 52% | 0.518 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.1 | -46.2 | -178.7 | -138.3 | 170.4 | 0 | 0 | 0 | 110.4 | V390 E391 K396 E397 E398 | V390-L394 PolarHBondContact O-N 3.01Å; E391-L394 PolarHBondContact O-N 3.4Å; L394-K396 VanDerWaalsContact C-N 3.31Å; L394-K396 PolarHBondContact O-N 3.46Å; L394-E397 WeakPolarHBondContact O-CB 3.42Å; L394-E397 PolarHBondContact O-N 3.26Å; L394-E397 VanDerWaalsContact O-N 3.08Å; L394-E398 HydrophobicContact CD2-CG 4.3Å; L394-E398 PolarHBondContact O-N 3.44Å |
| 395 | K | 88.8 | Confident | 83.7 | Confident | 147 Ų | 147 | 129.1 Ų | 129.1 | 64% | 0.639 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.3 | -37.3 | 175.7 | -174.7 | 173.7 | 179.8 | 178.4 | 0 | 112.9 | E391 E397 E398 E399 | E391-K395 VanDerWaalsContact O-CB 3.29Å; E391-K395 WeakPolarHBondContact O-CB 3.31Å; E391-K395 PolarHBondContact O-N 3.45Å; K395-E397 VanDerWaalsContact C-N 3.31Å; K395-E398 PolarHBondContact O-N 3.11Å; K395-E399 WeakPolarHBondContact O-CB 3.08Å; K395-E399 PolarHBondContact O-N 3.38Å |
| 396 | K | 92 | Very high | 84 | Confident | 139 Ų | 139 | 132.5 Ų | 132.5 | 60% | 0.604 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.8 | -26.5 | 175.8 | -170.4 | 169.2 | -168.8 | 161.7 | 0 | 112.9 | E392 R393 L394 R400 | E392-K396 WeakPolarHBondContact O-CB 3.33Å; E392-K396 PolarHBondContact O-N 3.49Å; R393-K396 PolarHBondContact O-N 2.98Å; L394-K396 VanDerWaalsContact C-N 3.31Å; L394-K396 PolarHBondContact O-N 3.46Å; K396-R400 VanDerWaalsContact O-CB 3.3Å; K396-R400 WeakPolarHBondContact O-CB 3.46Å; K396-R400 PolarHBondContact O-N 3.29Å; K396-R400 VanDerWaalsContact O-N 3.15Å |
| 397 | E | 86.5 | Confident | 84.2 | Confident | 124 Ų | 124 | 129.9 Ų | 129.9 | 58% | 0.579 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -76.8 | -41.7 | 172.4 | -169.9 | 159 | -153.1 | 0 | 0 | 111.3 | R393 L394 K395 R400 L401 | R393-E397 PolarHBondContact O-N 3.32Å; L394-E397 WeakPolarHBondContact O-CB 3.42Å; L394-E397 PolarHBondContact O-N 3.26Å; L394-E397 VanDerWaalsContact O-N 3.08Å; K395-E397 VanDerWaalsContact C-N 3.31Å; E397-R400 PolarHBondContact O-N 2.94Å; E397-L401 WeakPolarHBondContact O-CG 3.13Å; E397-L401 PolarHBondContact O-N 3.43Å |
| 398 | E | 85.5 | Confident | 83.9 | Confident | 121 Ų | 121 | 128.5 Ų | 128.5 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.8 | -47.4 | 170 | -70.5 | -175.3 | 148.8 | 0 | 0 | 112.2 | L394 K395 R400 L401 Q402 | L394-E398 HydrophobicContact CD2-CG 4.3Å; L394-E398 PolarHBondContact O-N 3.44Å; K395-E398 PolarHBondContact O-N 3.11Å; E398-R400 VanDerWaalsContact C-N 3.29Å; E398-R400 PolarHBondContact O-N 3.41Å; E398-L401 PolarHBondContact O-N 3.13Å; E398-Q402 WeakPolarHBondContact O-CB 3.17Å; E398-Q402 PolarHBondContact O-N 3.12Å |
| 399 | E | 88.7 | Confident | 83.6 | Confident | 124 Ų | 124 | 127.6 Ų | 127.6 | 58% | 0.579 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.5 | -39.7 | 176.2 | -172.9 | -171.8 | 162.5 | 0 | 0 | 111.4 | K395 Q402 R403 | K395-E399 WeakPolarHBondContact O-CB 3.08Å; K395-E399 PolarHBondContact O-N 3.38Å; E399-Q402 PolarHBondContact O-N 3.32Å; E399-R403 VanDerWaalsContact O-CB 3.27Å; E399-R403 WeakPolarHBondContact O-CB 3.19Å; E399-R403 PolarHBondContact O-N 2.92Å |
| 400 | R | 89.9 | Confident | 82.7 | Confident | 171 Ų | 171 | 127 Ų | 127 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.5 | -41.5 | 175.7 | 178.9 | -179 | 172.8 | -174.1 | -3.1 | 112 | K396 E397 E398 Q404 | K396-R400 VanDerWaalsContact O-CB 3.3Å; K396-R400 WeakPolarHBondContact O-CB 3.46Å; K396-R400 PolarHBondContact O-N 3.29Å; K396-R400 VanDerWaalsContact O-N 3.15Å; E397-R400 PolarHBondContact O-N 2.94Å; E398-R400 VanDerWaalsContact C-N 3.29Å; E398-R400 PolarHBondContact O-N 3.41Å; R400-Q404 WeakPolarHBondContact O-CG 3.09Å; R400-Q404 PolarHBondContact O-N 2.92Å |
| 401 | L | 85.1 | Confident | 81.8 | Confident | 97 Ų | 97 | 132.3 Ų | 132.3 | 51% | 0.508 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.6 | -43 | 174.7 | -74.7 | 169.8 | 0 | 0 | 0 | 111.3 | E397 E398 R403 Q404 L405 | E397-L401 WeakPolarHBondContact O-CG 3.13Å; E397-L401 PolarHBondContact O-N 3.43Å; E398-L401 PolarHBondContact O-N 3.13Å; L401-R403 VanDerWaalsContact C-N 3.33Å; L401-R403 PolarHBondContact O-N 3.04Å; L401-Q404 WeakPolarHBondContact O-CB 3.26Å; L401-Q404 PolarHBondContact O-N 2.99Å; L401-L405 WeakPolarHBondContact O-CG 3.24Å; L401-L405 PolarHBondContact O-N 3.38Å |
| 402 | Q | 81.4 | Confident | 80.1 | Confident | 140 Ų | 140 | 131.2 Ų | 131.2 | 65% | 0.654 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.4 | -41.7 | 177.3 | -164.5 | 171.4 | 21.9 | 0 | 0 | 111.3 | E398 E399 L405 E406 | E398-Q402 WeakPolarHBondContact O-CB 3.17Å; E398-Q402 PolarHBondContact O-N 3.12Å; E399-Q402 PolarHBondContact O-N 3.32Å; Q402-L405 PolarHBondContact O-N 3.25Å; Q402-E406 WeakPolarHBondContact O-CB 3.23Å; Q402-E406 PolarHBondContact O-N 3.05Å |
| 403 | R | 85.6 | Confident | 78.2 | Confident | 176 Ų | 176 | 130 Ų | 130 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.7 | -32.7 | 174.2 | -169.8 | 172.9 | -176.3 | -96.2 | -0.3 | 113.1 | E399 L401 V407 | E399-R403 VanDerWaalsContact O-CB 3.27Å; E399-R403 WeakPolarHBondContact O-CB 3.19Å; E399-R403 PolarHBondContact O-N 2.92Å; L401-R403 VanDerWaalsContact C-N 3.33Å; L401-R403 PolarHBondContact O-N 3.04Å; R403-V407 VanDerWaalsContact O-CG2 3.3Å; R403-V407 WeakPolarHBondContact O-CG2 2.97Å; R403-V407 PolarHBondContact O-N 3.39Å; R403-V407 VanDerWaalsContact O-N 3.08Å |
| 404 | Q | 82.5 | Confident | 76.3 | Confident | 97 Ų | 97 | 128.6 Ų | 128.6 | 45% | 0.453 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.3 | -48.3 | 169.7 | -81.6 | -178.8 | -32.5 | 0 | 0 | 111 | R400 L401 E406 V407 D408 | R400-Q404 WeakPolarHBondContact O-CG 3.09Å; R400-Q404 PolarHBondContact O-N 2.92Å; L401-Q404 WeakPolarHBondContact O-CB 3.26Å; L401-Q404 PolarHBondContact O-N 2.99Å; Q404-E406 PolarHBondContact O-N 3.22Å; Q404-V407 PolarHBondContact O-N 2.88Å; Q404-V407 VanDerWaalsContact O-N 3.14Å; Q404-D408 PolarHBondContact O-N 3.12Å |
| 405 | L | 77.8 | Confident | 74.1 | Confident | 119 Ų | 119 | 135.2 Ų | 135.2 | 62% | 0.623 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -58.7 | -36 | 176 | -69.7 | 171.6 | 0 | 0 | 0 | 112.3 | L401 Q402 K409 | L401-L405 WeakPolarHBondContact O-CG 3.24Å; L401-L405 PolarHBondContact O-N 3.38Å; Q402-L405 PolarHBondContact O-N 3.25Å; L405-K409 WeakPolarHBondContact O-CB 3.42Å; L405-K409 PolarHBondContact O-N 3.04Å |
| 406 | E | 77.4 | Confident | 71.5 | Confident | 139 Ų | 139 | 136.8 Ų | 136.8 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.1 | -36.2 | 177.5 | -157.5 | 167.9 | -132.9 | 0 | 0 | 112.6 | Q402 Q404 S410 | Q402-E406 WeakPolarHBondContact O-CB 3.23Å; Q402-E406 PolarHBondContact O-N 3.05Å; Q404-E406 PolarHBondContact O-N 3.22Å; E406-S410 WeakPolarHBondContact O-CB 3.41Å; E406-S410 PolarHBondContact O-N 3.37Å; E406-S410 PolarHBondContact O-OG 2.89Å |
| 407 | V | 78.2 | Confident | 68.6 | Low | 64 Ų | 64 | 138.9 Ų | 138.9 | 39% | 0.388 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68.6 | -38.9 | 171.4 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | R403 Q404 S410 R411 | R403-V407 VanDerWaalsContact O-CG2 3.3Å; R403-V407 WeakPolarHBondContact O-CG2 2.97Å; R403-V407 PolarHBondContact O-N 3.39Å; R403-V407 VanDerWaalsContact O-N 3.08Å; Q404-V407 PolarHBondContact O-N 2.88Å; Q404-V407 VanDerWaalsContact O-N 3.14Å; V407-S410 WeakPolarHBondContact CA-OG 3.41Å; V407-S410 PolarHBondContact O-OG 3.13Å; V407-S410 VanDerWaalsContact O-OG 3.08Å; V407-R411 WeakPolarHBondContact O-CB 3.49Å; V407-R411 WeakPolarHBondContact O-CG 3.47Å; V407-R411 PolarHBondContact O-N 3.11Å |
| 408 | D | 71.3 | Confident | 66.1 | Low | 93 Ų | 93 | 144.3 Ų | 144.3 | 50% | 0.497 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -72.5 | -37 | 177.2 | -71.1 | -29 | 0 | 0 | 0 | 111.6 | Q404 S410 R411 V412 | Q404-D408 PolarHBondContact O-N 3.12Å; D408-S410 PolarHBondContact O-N 3.21Å; D408-R411 WeakPolarHBondContact O-CB 3.44Å; D408-R411 PolarHBondContact O-N 3.26Å; D408-R411 VanDerWaalsContact O-N 3.09Å; D408-V412 PolarHBondContact O-N 3.3Å |
| 409 | K | 75.4 | Confident | 63.8 | Low | 172 Ų | 172 | 145.6 Ų | 145.6 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.7 | -27.9 | 177.5 | -159.8 | 157.5 | -172.3 | 171.5 | 0 | 113.1 | L405 R411 | L405-K409 WeakPolarHBondContact O-CB 3.42Å; L405-K409 PolarHBondContact O-N 3.04Å; K409-R411 VanDerWaalsContact C-N 3.34Å |
| 410 | S | 65.4 | Low | 61.2 | Low | 96 Ų | 96 | 151.3 Ų | 151.3 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -8.2 | 168.5 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | E406 V407 D408 | E406-S410 WeakPolarHBondContact O-CB 3.41Å; E406-S410 PolarHBondContact O-N 3.37Å; E406-S410 PolarHBondContact O-OG 2.89Å; V407-S410 WeakPolarHBondContact CA-OG 3.41Å; V407-S410 PolarHBondContact O-OG 3.13Å; V407-S410 VanDerWaalsContact O-OG 3.08Å; D408-S410 PolarHBondContact O-N 3.21Å |
| 411 | R | 64.7 | Low | 58.6 | Low | 196 Ų | 196 | 149.8 Ų | 149.8 | 74% | 0.74 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -93.5 | -5.1 | 173.7 | -85.2 | 178.9 | 163.9 | -158.8 | -5.4 | 115 | V407 D408 K409 P413 | V407-R411 WeakPolarHBondContact O-CB 3.49Å; V407-R411 WeakPolarHBondContact O-CG 3.47Å; V407-R411 PolarHBondContact O-N 3.11Å; D408-R411 WeakPolarHBondContact O-CB 3.44Å; D408-R411 PolarHBondContact O-N 3.26Å; D408-R411 VanDerWaalsContact O-N 3.09Å; K409-R411 VanDerWaalsContact C-N 3.34Å; R411-P413 VanDerWaalsContact O-CD 3.3Å; R411-P413 WeakPolarHBondContact O-CD 3.47Å |
| 412 | V | 49.4 | Very low | 56.4 | Low | 109 Ų | 109 | 151.5 Ų | 151.5 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -77.9 | 115.7 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | D408 | D408-V412 PolarHBondContact O-N 3.3Š|
| 413 | P | 46.7 | Very low | 54.2 | Low | 110 Ų | 110 | 148.8 Ų | 148.8 | 71% | 0.714 | 71% | 0.713 | S | S | * | * | trans | -73.4 | 138.1 | 174.7 | -9.4 | 26.6 | 0 | 0 | 0 | 110 | R411 R415 | R411-P413 VanDerWaalsContact O-CD 3.3Å; R411-P413 WeakPolarHBondContact O-CD 3.47Å; P413-R415 PolarHBondContact O-N 3.27Å | ||
| 414 | E | 44 | Very low | 51.7 | Low | 168 Ų | 168 | 151.7 Ų | 151.7 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | -56.1 | 105.1 | 173.2 | -80 | -152.1 | 149.3 | 0 | 0 | 111.6 | ||||
| 415 | R | 40.9 | Very low | 49.2 | Very low | 238 Ų | 238 | 158.1 Ų | 158.1 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | trans | -101.6 | 91.5 | 155.2 | -95.2 | -178.2 | 161.6 | 148.7 | -4.3 | 108.5 | P413 M417 | P413-R415 PolarHBondContact O-N 3.27Å; R415-M417 PolarHBondContact O-N 3.42Å | ||
| 416 | K | 33.5 | Very low | 46.9 | Very low | 179 Ų | 179 | 159.1 Ų | 159.1 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | trans | -44.6 | 112.4 | 170.9 | -81.1 | 169.3 | 173.1 | 166 | 0 | 110.5 | ||||
| 417 | M | 30.1 | Very low | 44.8 | Very low | 184 Ų | 184 | 161.3 Ų | 161.3 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 133.5 | 161.3 | -75.7 | -171.4 | 170.1 | 0 | 0 | 107.9 | R415 | R415-M417 PolarHBondContact O-N 3.42Š|
| 418 | R | 35.5 | Very low | 42.6 | Very low | 237 Ų | 237 | 166.6 Ų | 166.6 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 132.9 | -177.7 | -162.9 | 173.5 | -162.2 | 158 | 3.9 | 109.5 | R420 | R418-R420 PolarHBondContact O-N 3.41Š|
| 419 | D | 37 | Very low | 40.6 | Very low | 149 Ų | 149 | 167.8 Ų | 167.8 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 135.1 | -177.5 | -51.8 | -87.4 | 0 | 0 | 0 | 111.8 | ||
| 420 | R | 34.4 | Very low | 38.4 | Very low | 243 Ų | 243 | 168 Ų | 168 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -129.2 | 103.6 | 171.3 | -163.9 | 174.7 | -165.7 | 169.2 | 4.5 | 107.3 | R418 | R418-R420 PolarHBondContact O-N 3.41Š| ||
| 421 | D | 33.9 | Very low | 36.6 | Very low | 139 Ų | 139 | 168 Ų | 168 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -57.5 | 135.1 | -166 | -67.8 | -72.7 | 0 | 0 | 0 | 114.1 | S423 | D421-S423 PolarHBondContact O-N 2.96Å; D421-S423 VanDerWaalsContact O-N 3.17Å | ||
| 422 | P | 40.3 | Very low | 34.9 | Very low | 134 Ų | 134 | 167.6 Ų | 167.6 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -84.3 | 84.8 | 171.8 | 34.6 | -32.2 | 0 | 0 | 0 | 109.7 | ||||
| 423 | S | 35.1 | Very low | 33.8 | Very low | 82 Ų | 82 | 174.6 Ų | 174.6 | 57% | 0.573 | 82% | 0.816 | S | S | * | * | trans | -110.8 | 140.5 | 166.7 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | D421 | D421-S423 PolarHBondContact O-N 2.96Å; D421-S423 VanDerWaalsContact O-N 3.17Å | ||
| 424 | W | 33 | Very low | 32.8 | Very low | 238 Ų | 238 | 173.9 Ų | 173.9 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | 74.9 | 62.7 | 172 | -47.3 | 100.7 | 0 | 0 | 0 | 117.6 | ||||
| 425 | R | 28.5 | Very low | 32.1 | Very low | 231 Ų | 231 | 176.5 Ų | 176.5 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | -97.9 | 117.5 | 129.7 | -172.4 | -177.9 | -149.6 | -93.9 | -2.4 | 107.5 | |||||
| 426 | N | 30.8 | Very low | 31.4 | Very low | 140 Ų | 140 | 171.4 Ų | 171.4 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | trans | -162.6 | 120.5 | 148.5 | -100.4 | -9.3 | 0 | 0 | 0 | 112.3 | ||||
| 427 | E | 32.7 | Very low | 31 | Very low | 186 Ų | 186 | 170.6 Ų | 170.6 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | 55.8 | 155 | 154 | -66.2 | -164.5 | 115.8 | 0 | 0 | 124.2 | ||||
| 428 | E | 31 | Very low | 31 | Very low | 175 Ų | 175 | 166.9 Ų | 166.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -102.6 | 154.6 | -165.8 | -72.7 | 169.8 | 92.3 | 0 | 0 | 112.4 | ||||
| 429 | T | 29.6 | Very low | 30.5 | Very low | 118 Ų | 118 | 164.2 Ų | 164.2 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | 42 | 120.2 | 146.2 | 62.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 430 | Q | 28.9 | Very low | 30 | Very low | 177 Ų | 177 | 161.9 Ų | 161.9 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | -176.6 | 142.7 | 97.8 | -99.4 | -171.7 | 9.3 | 0 | 0 | 115.6 | |||||
| 431 | S | 28.4 | Very low | 30 | Very low | 94 Ų | 94 | 154.8 Ų | 154.8 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | trans | 38.9 | 117 | 148 | 63.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 432 | E | 28.9 | Very low | 29.9 | Very low | 189 Ų | 189 | 156.7 Ų | 156.7 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 42.4 | 110.5 | 130.1 | -52.4 | -153.2 | 141.2 | 0 | 0 | 121.4 | ||||
| 433 | R | 26.3 | Very low | 30 | Very low | 256 Ų | 256 | 156.5 Ų | 156.5 | 97% | 0.966 | 79% | 0.787 | S | S | * | * | -155.2 | 164.1 | 124.8 | -128.7 | 168.8 | 179.5 | 156.8 | -1 | 113.4 | |||||
| 434 | S | 26.6 | Very low | 29.5 | Very low | 94 Ų | 94 | 155.2 Ų | 155.2 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -114.9 | 160 | -161.1 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 435 | R | 28.8 | Very low | 29.4 | Very low | 224 Ų | 224 | 149.2 Ų | 149.2 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 78.9 | 153.6 | 154.4 | -69.9 | 171.7 | 172.4 | 171.9 | -2.1 | 119.9 | ||||
| 436 | T | 26.6 | Very low | 29.4 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | 72 | 153.2 | 169.1 | 70.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 437 | E | 24.1 | Very low | 29.3 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | cis | -176.7 | 133.7 | -30.5 | -177.9 | 169.2 | 137.3 | 0 | 0 | 106 | ||||
| 438 | S | 30 | Very low | 29.1 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 59.2 | 176.7 | 175.5 | -52.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 439 | E | 26.7 | Very low | 29.1 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | cis | -151 | 156.3 | 11.4 | 44.1 | -166.5 | 65.3 | 0 | 0 | 111.3 | ||||
| 440 | S | 26.4 | Very low | 29.1 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -77 | 164.5 | 167.3 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 441 | S | 33.8 | Very low | 29.4 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | 176.9 | 140.5 | 61.5 | -44.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 442 | Q | 32.2 | Very low | 29.7 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | 59.5 | 165.3 | 131.5 | -75 | -158.6 | -21.4 | 0 | 0 | 121 | ||||
| 443 | P | 41.6 | Very low | 29.6 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | cis | -127.5 | 174.5 | 23.9 | 40.6 | -22.7 | 0 | 0 | 0 | 116.5 | ||||
| 444 | G | 25.5 | Very low | 29.9 | Very low | 54 Ų | 54 | 135 Ų | 135 | 56% | 0.557 | 78% | 0.78 | S | S | * | * | cis | 175.1 | 173.5 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 445 | S | 29.3 | Very low | 30 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 65.8 | 107.1 | 153.3 | -65.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 446 | T | 28.6 | Very low | 30 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | 72.2 | 146.1 | 152.2 | 90.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 447 | S | 29.5 | Very low | 30.3 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | cis | -159.8 | 153.3 | 5.3 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 448 | G | 28.4 | Very low | 30.5 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 112 | 94.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 449 | R | 31 | Very low | 30.7 | Very low | 259 Ų | 259 | 138.2 Ų | 138.2 | 98% | 0.977 | 80% | 0.803 | S | S | * | * | trans | 5.3 | 143.3 | 151 | -64.4 | 174.5 | 166.7 | -165.4 | -4.1 | 120.7 | ||||
| 450 | G | 29.5 | Very low | 30.9 | Very low | 69 Ų | 69 | 132.8 Ų | 132.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | 146 | 167 | -7.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 451 | S | 36 | Very low | 31.1 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | 68.6 | 151.3 | 170.1 | -63.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 452 | R | 33.7 | Very low | 30.9 | Very low | 216 Ų | 216 | 139 Ų | 139 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | cis | -166.9 | 156 | -21.1 | -111.5 | 174.4 | -74.9 | 162.3 | 1.1 | 106.1 | ||||
| 453 | C | 26.7 | Very low | 31 | Very low | 128 Ų | 128 | 139 Ų | 139 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | -174.7 | 167.8 | 88 | -87.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 454 | L | 32.5 | Very low | 30.6 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -127.1 | 157.6 | -175 | -68.9 | 160.9 | 0 | 0 | 0 | 110.8 | ||||
| 455 | D | 28.9 | Very low | 30.7 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -160.2 | 146.4 | 149.6 | -83.1 | -56.9 | 0 | 0 | 0 | 106.3 | ||||
| 456 | G | 30.1 | Very low | 30.9 | Very low | 72 Ų | 72 | 145 Ų | 145 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | cis | -174.9 | 156.4 | -4.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 457 | E | 31.3 | Very low | 30.9 | Very low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -100.6 | 162.8 | -159.2 | -50.8 | 171.3 | 109.6 | 0 | 0 | 116.8 | ||||
| 458 | R | 29.5 | Very low | 31 | Very low | 228 Ų | 228 | 148 Ų | 148 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | 157.3 | 126.2 | 138.7 | -84.2 | 153.5 | -175.1 | -90.6 | -3.8 | 111 | ||||
| 459 | S | 34.7 | Very low | 31.2 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | 62.4 | 127.4 | 68 | -46.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 460 | G | 30.6 | Very low | 31.2 | Very low | 68 Ų | 68 | 144.5 Ų | 144.5 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | cis | -143.3 | -144.8 | -6.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 461 | E | 30.8 | Very low | 31.3 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | cis | -176.3 | 172.5 | -15.8 | 53.7 | -157.8 | 71.8 | 0 | 0 | 109.3 | ||||
| 462 | N | 28.7 | Very low | 30.9 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | 66.4 | 130.2 | -170.7 | 89 | 82.1 | 0 | 0 | 0 | 116.1 | ||||
| 463 | E | 34.8 | Very low | 30.9 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | cis | 98.6 | 135.6 | 10.2 | -143.7 | -171.7 | -143.6 | 0 | 0 | 117.7 | ||||
| 464 | V | 32.2 | Very low | 32.1 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | trans | 80.3 | 101.6 | 168 | -167.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 465 | F | 27.9 | Very low | 31.8 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | -158.1 | 143.3 | 106.8 | -124.8 | -86.3 | 0 | 0 | 0 | 111.9 | |||||
| 466 | S | 33.3 | Very low | 31.9 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -139.3 | 153.7 | -178.6 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 467 | G | 29.6 | Very low | 32 | Very low | 78 Ų | 78 | 139.6 Ų | 139.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 118.9 | 150.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 468 | R | 30.5 | Very low | 32.8 | Very low | 240 Ų | 240 | 136.9 Ų | 136.9 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | cis | -162.7 | 156.9 | -3.1 | 178.7 | 168.1 | 170 | -98.1 | 1 | 109.9 | ||||
| 469 | E | 33.5 | Very low | 33.1 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -71.4 | 167.9 | -177.3 | -53.5 | 170.6 | 105.1 | 0 | 0 | 115.3 | ||||
| 470 | G | 31 | Very low | 33.8 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 175.8 | 66.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 471 | N | 30.2 | Very low | 33.7 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 35.9 | 128.8 | 139.1 | -122.7 | 57.1 | 0 | 0 | 0 | 124.2 | ||||
| 472 | S | 28.6 | Very low | 33.8 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | 141.5 | 141.5 | 125.3 | -58 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 473 | S | 32.9 | Very low | 33.8 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -100.4 | -167 | 175.5 | -44.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 474 | P | 52.8 | Low | 33.5 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | cis | -147.2 | -177 | 7.7 | 44.5 | -23.8 | 0 | 0 | 0 | 119.2 | ||||
| 475 | G | 26.8 | Very low | 33.6 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 109.1 | 146.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 476 | S | 29.7 | Very low | 33.7 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | cis | -159.6 | 147.7 | -13.5 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 477 | S | 32.5 | Very low | 33.9 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -75.3 | 177.6 | 179.7 | -39 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 478 | P | 47.8 | Very low | 34.1 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | -146.9 | 167.5 | 58.5 | 38.4 | -16.8 | 0 | 0 | 0 | 118.9 | |||||
| 479 | R | 35.5 | Very low | 35.3 | Very low | 210 Ų | 210 | 124.8 Ų | 124.8 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -128 | 151.2 | 162.4 | 177.5 | -176.2 | -172.7 | -96.7 | -2 | 108.2 | ||||
| 480 | P | 49.4 | Very low | 35.5 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -128 | 157.7 | 148.2 | 19.7 | 0.8 | 0 | 0 | 0 | 111.5 | ||||
| 481 | T | 29.4 | Very low | 35.8 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 66% | 0.663 | 78% | 0.783 | S | S | * | * | cis | -163.2 | 166.9 | -7.5 | 16.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 482 | S | 32 | Very low | 36.4 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 4.1 | 156.3 | 151.8 | 59.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 483 | A | 29.8 | Very low | 37.3 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | cis | -167.4 | 166.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 484 | G | 29.4 | Very low | 38.3 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | 123.3 | 85.6 | 17.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 485 | S | 33.4 | Very low | 38.4 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -168.9 | 111.3 | 158.8 | 52.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 486 | S | 29.8 | Very low | 40.1 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | 45.1 | 136 | 131.9 | 73.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 487 | K | 38.2 | Very low | 41.8 | Very low | 203 Ų | 203 | 129 Ų | 129 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | 94.7 | 121.3 | 148.4 | -67.7 | 162.9 | -178 | -179.5 | 0 | 119.1 | ||||
| 488 | E | 33.9 | Very low | 43.4 | Very low | 183 Ų | 183 | 130 Ų | 130 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -73.1 | -169.9 | 163.8 | -49.3 | 171 | 106.8 | 0 | 0 | 111.5 | ||||
| 489 | P | 55.5 | Low | 43.8 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | -121.8 | -173.4 | -65.5 | 33.8 | -17.4 | 0 | 0 | 0 | 109.9 | |||||
| 490 | L | 36.8 | Very low | 44.7 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | 161.4 | 122.4 | 131.7 | -85.8 | 165.6 | 0 | 0 | 0 | 113.7 | ||||
| 491 | K | 37.2 | Very low | 44.9 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | trans | 65 | 130.1 | 138.8 | -78.8 | 179.4 | -179.9 | 171.7 | 0 | 123.3 | ||||
| 492 | V | 42.7 | Very low | 46.1 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | 74.5 | 118.5 | 139.8 | 176.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 493 | M | 48 | Very low | 47 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | -173.2 | 156.2 | 64.4 | -147 | 153.3 | -180 | 0 | 0 | 111.4 | |||||
| 494 | P | 54.7 | Low | 48 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 147.5 | 168.9 | 30.1 | -35.2 | 0 | 0 | 0 | 112.3 | ||
| 495 | A | 54 | Low | 48.9 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69 | 142.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 496 | P | 62.5 | Low | 49.6 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 149.9 | 172.8 | 30.8 | -34.7 | 0 | 0 | 0 | 111.8 | ||
| 497 | P | 64.7 | Low | 50.3 | Low | 111 Ų | 111 | 147.4 Ų | 147.4 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 148.3 | -179.6 | 28.6 | -35.2 | 0 | 0 | 0 | 112.1 | K499 | P497-K499 PolarHBondContact O-N 3.13Š|
| 498 | P | 67.3 | Low | 50.4 | Low | 133 Ų | 133 | 142.7 Ų | 142.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.7 | 179.1 | 27.5 | -34 | 0 | 0 | 0 | 110.5 | ||
| 499 | K | 54.7 | Low | 50.6 | Low | 193 Ų | 193 | 140.5 Ų | 140.5 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 148.8 | 169.9 | -68 | 179 | 176 | 177.4 | 0 | 110 | P497 | P497-K499 PolarHBondContact O-N 3.13Š|
| 500 | E | 54.6 | Low | 49.5 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | 90.4 | 127.3 | 164.5 | -50.3 | -167.8 | 158.7 | 0 | 0 | 118.5 | ||||
| 501 | N | 53.5 | Low | 49.4 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -88.7 | 124.6 | -169.9 | -71.2 | -41.1 | 0 | 0 | 0 | 112.3 | W503 A504 | N501-W503 PolarHBondContact O-N 3.41Å; N501-A504 PolarHBondContact O-N 3.39Å | ||
| 502 | A | 54.9 | Low | 49.2 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -0.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 503 | W | 50.9 | Low | 48.9 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 75% | 0.75 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -11.5 | -177.7 | -127.2 | -86.4 | 0 | 0 | 0 | 114.3 | N501 K505 R506 | N501-W503 PolarHBondContact O-N 3.41Å; W503-K505 PolarHBondContact O-N 3.35Å; W503-R506 VanDerWaalsContact CD1-NH1 3.3Å |
| 504 | A | 50.7 | Low | 48.2 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -82 | -0.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | N501 | N501-A504 PolarHBondContact O-N 3.39Š|
| 505 | K | 48.6 | Very low | 47.2 | Very low | 205 Ų | 205 | 137.1 Ų | 137.1 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -115.1 | 64.7 | -179.2 | -71.4 | -173.1 | 177.3 | 177.2 | 0 | 113.1 | W503 | W503-K505 PolarHBondContact O-N 3.35Š|
| 506 | R | 48.9 | Very low | 46.2 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 68% | 0.683 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -152.9 | 15.7 | 160.8 | 68.1 | 176.6 | -179.2 | -93 | 15.5 | 117.1 | W503 | W503-R506 VanDerWaalsContact CD1-NH1 3.3Š|
| 507 | S | 43.9 | Very low | 44.9 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -135.3 | 57.4 | -178.6 | 61.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 508 | A | 40.7 | Very low | 43.2 | Very low | 104 Ų | 104 | 139 Ų | 139 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -154 | 51.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 509 | V | 38.6 | Very low | 41.7 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -148.3 | 97.4 | 162.5 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 510 | S | 32.6 | Very low | 42.1 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | 174.3 | 58.7 | 161 | -79.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 511 | T | 34.8 | Very low | 41.8 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 93% | 0.933 | 81% | 0.806 | S | S | * | * | trans | -153.6 | 124.2 | 162.8 | 31.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 512 | G | 32.6 | Very low | 40.9 | Very low | 79 Ų | 79 | 136.2 Ų | 136.2 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 147.9 | 122.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 513 | S | 35.8 | Very low | 40.1 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -124.7 | 161.4 | -163.9 | -53.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 514 | N | 32.7 | Very low | 40.2 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 66% | 0.658 | 81% | 0.805 | S | S | * | * | trans | 81 | 115.4 | 152.1 | -86.4 | 31.8 | 0 | 0 | 0 | 124 | ||||
| 515 | E | 35 | Very low | 39.2 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | 72.6 | 131.4 | 121.6 | -68 | 168.7 | -177.2 | 0 | 0 | 123.4 | |||||
| 516 | G | 31.7 | Very low | 38.7 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 154.2 | 119.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 517 | E | 34.9 | Very low | 38.8 | Very low | 207 Ų | 207 | 128.5 Ų | 128.5 | 97% | 0.967 | 82% | 0.815 | S | S | * | * | trans | -91.4 | 170.1 | -177.9 | -59.7 | -160.6 | 134.6 | 0 | 0 | 114.8 | ||||
| 518 | G | 30.3 | Very low | 38.1 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | 151.4 | 24.9 | 144.1 | 0 | 0 | 0 | 0 | 0 | 127 | ||||
| 519 | R | 35.9 | Very low | 37.5 | Very low | 253 Ų | 253 | 127.5 Ų | 127.5 | 96% | 0.955 | 81% | 0.812 | S | S | * | * | trans | 62 | 170.8 | 154.3 | -89.1 | -171.2 | -177.9 | -106.1 | -1.9 | 120.4 | ||||
| 520 | P | 61.7 | Low | 37.2 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 68% | 0.682 | 82% | 0.818 | S | S | * | * | trans | -111.1 | -171.1 | -140.4 | 45.7 | -40.6 | 0 | 0 | 0 | 116.4 | ||||
| 521 | P | 49.9 | Very low | 37.1 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | -157.1 | 178.2 | 96.2 | 44.5 | -25.9 | 0 | 0 | 0 | 119.3 | |||||
| 522 | V | 33.3 | Very low | 38.4 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | 71.3 | 131.1 | 158 | -55.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 523 | S | 38.1 | Very low | 39.3 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -100.2 | 171.2 | 160 | -25.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 524 | P | 53 | Low | 39.2 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | -155.8 | 161.4 | 68.7 | 40.7 | -20.3 | 0 | 0 | 0 | 118.5 | |||||
| 525 | V | 30.5 | Very low | 39.1 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | 154.6 | 134.2 | 118.2 | 78.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 526 | S | 38.1 | Very low | 38.9 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -121.4 | -176.9 | 175.1 | -38.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 527 | P | 50.8 | Low | 39.3 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | cis | -151.1 | -168 | 28.2 | 44 | -21.3 | 0 | 0 | 0 | 117.9 | ||||
| 528 | S | 29 | Very low | 39.8 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | 108.3 | 124.3 | 164.2 | -160.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 529 | G | 28.8 | Very low | 39.8 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | cis | 179.6 | 147.1 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 530 | S | 32.7 | Very low | 39.6 | Very low | 135 Ų | 135 | 122.8 Ų | 122.8 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | 65.4 | 141 | 167.7 | -70 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 531 | A | 30.1 | Very low | 38.1 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -132.8 | -145.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 532 | P | 62.5 | Low | 37.3 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | -111.2 | -161.6 | -125.9 | 37 | -16.6 | 0 | 0 | 0 | 113.2 | |||||
| 533 | P | 50.3 | Low | 37.3 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -152.5 | -175.9 | 90 | 39.7 | -19.7 | 0 | 0 | 0 | 116.8 | |||||
| 534 | K | 34.6 | Very low | 37 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -94.3 | 161.2 | 176.8 | -54.6 | 165.6 | 179.5 | 175.3 | 0 | 111.2 | ||||
| 535 | F | 30.9 | Very low | 35.8 | Very low | 188 Ų | 188 | 125.6 Ų | 125.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | 158.1 | 151.5 | 114.9 | -93 | -71.3 | 0 | 0 | 0 | 116.1 | |||||
| 536 | S | 30 | Very low | 36 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 66.3 | 126.3 | 149.3 | 48 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 537 | S | 39.3 | Very low | 35.8 | Very low | 117 Ų | 117 | 123 Ų | 123 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -71.6 | 160.6 | 153.3 | -34.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 538 | P | 45.5 | Very low | 34.9 | Very low | 131 Ų | 131 | 126.4 Ų | 126.4 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | -139.9 | 178.5 | 128.6 | 38 | -24.6 | 0 | 0 | 0 | 114.6 | |||||
| 539 | S | 30.7 | Very low | 35.3 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -104.5 | 177.7 | -170.2 | 54.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 540 | S | 32.8 | Very low | 35.9 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 98.1 | 148.5 | 154.4 | 77 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 541 | G | 29.2 | Very low | 36 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 145.6 | 38.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 542 | D | 32.8 | Very low | 36.2 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | 42 | 143.1 | 139.1 | -76.5 | -90.2 | 0 | 0 | 0 | 127.8 | ||||
| 543 | E | 32.9 | Very low | 35 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 58% | 0.584 | 79% | 0.791 | S | S | * | * | trans | 76.2 | 105.1 | 132.9 | -75.9 | -103.2 | 81.9 | 0 | 0 | 123.5 | ||||
| 544 | R | 32.8 | Very low | 34.3 | Very low | 222 Ų | 222 | 138.8 Ų | 138.8 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | 148.6 | 141.7 | 100.6 | -94.6 | 163.8 | -166.3 | -121.2 | -7.6 | 116.5 | |||||
| 545 | G | 28.8 | Very low | 34.2 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | 161.8 | 97.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 546 | S | 34.1 | Very low | 34.4 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -124.7 | 137.9 | -170.5 | 177 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 547 | G | 33.4 | Very low | 34.6 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 94.9 | 123.7 | 138.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 548 | K | 32.5 | Very low | 34.3 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | -169.9 | 136 | 109.4 | -119.9 | 179.5 | 173.8 | -173.2 | 0 | 114.7 | |||||
| 549 | D | 35.8 | Very low | 33.6 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -72.4 | 158.8 | 161.1 | -101.7 | -98.1 | 0 | 0 | 0 | 111.8 | ||||
| 550 | E | 42.6 | Very low | 33.7 | Very low | 186 Ų | 186 | 143.3 Ų | 143.3 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | -166.5 | 150.8 | 124.3 | -109 | 166.4 | -157.3 | 0 | 0 | 114.3 | |||||
| 551 | N | 35.6 | Very low | 33.5 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -94.6 | 154.6 | -166.6 | -117.6 | -73.3 | 0 | 0 | 0 | 113.6 | ||||
| 552 | K | 32.5 | Very low | 33.8 | Very low | 212 Ų | 212 | 142.7 Ų | 142.7 | 92% | 0.922 | 78% | 0.781 | S | S | * | * | trans | -161.3 | 144.6 | 131.3 | -122.3 | 161.3 | -175.4 | 166.2 | 0 | 114.8 | ||||
| 553 | A | 38 | Very low | 34.6 | Very low | 81 Ų | 81 | 141.3 Ų | 141.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -139.4 | 152.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 554 | D | 35 | Very low | 34.8 | Very low | 172 Ų | 172 | 146 Ų | 146 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -160.5 | 137.9 | 155.9 | -92.9 | -56.4 | 0 | 0 | 0 | 104.5 | ||||
| 555 | G | 32.7 | Very low | 34.7 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | cis | 121.5 | 140.1 | 16.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 556 | V | 35.8 | Very low | 34.9 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | cis | -173.7 | 161.4 | -10 | 74.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 557 | R | 33.8 | Very low | 34.6 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | trans | 72 | 153 | 163.6 | -61.3 | 163.3 | -150.6 | -86.7 | -6.3 | 117.7 | ||||
| 558 | R | 33.3 | Very low | 34.6 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | cis | -164.6 | 143.4 | -12.6 | -115.6 | 175.9 | -177.3 | 177.6 | -0.8 | 112.6 | ||||
| 559 | D | 30.9 | Very low | 35.4 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 67% | 0.674 | 79% | 0.794 | S | S | * | * | trans | 44.6 | 135.6 | 132.4 | -84.9 | -85.1 | 0 | 0 | 0 | 126.1 | ||||
| 560 | R | 33 | Very low | 35.3 | Very low | 235 Ų | 235 | 142.8 Ų | 142.8 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 78.8 | 126.7 | 146 | -68.9 | 174.2 | -159.5 | 179.2 | 3.8 | 122 | ||||
| 561 | G | 27.2 | Very low | 34.9 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | 143 | 113.1 | 125.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 562 | A | 35.9 | Very low | 35.4 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -119.1 | 143 | 149.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 563 | P | 50.4 | Low | 35.3 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | -154.2 | 162.5 | 82.1 | 39.6 | -20.3 | 0 | 0 | 0 | 117.9 | |||||
| 564 | R | 37 | Very low | 35.4 | Very low | 224 Ų | 224 | 132.1 Ų | 132.1 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | 25.8 | 152.3 | 142.1 | -55 | 175 | 73.8 | -167.1 | 4.3 | 122.5 | ||||
| 565 | T | 29.8 | Very low | 35.2 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | 84.7 | 152.6 | 162.8 | 77.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 566 | R | 32.5 | Very low | 35.3 | Very low | 246 Ų | 246 | 136.5 Ų | 136.5 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | cis | -172.2 | 131.7 | -25.7 | 167.6 | -173.9 | -174.4 | -172 | 2.8 | 106.5 | ||||
| 567 | G | 29 | Very low | 35 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 166.5 | 112.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 568 | G | 33.6 | Very low | 35 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | -107.3 | 174.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 569 | P | 49.5 | Very low | 34.8 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 83% | 0.828 | S | S | * | * | -141.5 | 153.7 | 119.2 | 36.7 | -24 | 0 | 0 | 0 | 116 | |||||
| 570 | A | 32.4 | Very low | 34.8 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 85% | 0.851 | 84% | 0.84 | S | S | * | * | trans | 17 | 137 | 149.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 571 | G | 34 | Very low | 34.6 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | trans | -92.8 | -165.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 572 | P | 46.8 | Very low | 35.7 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 92% | 0.922 | 83% | 0.833 | S | S | * | * | -133.8 | 172.3 | 116.5 | 38.9 | -30 | 0 | 0 | 0 | 111.1 | |||||
| 573 | G | 31.7 | Very low | 35.6 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | cis | -170.2 | 164.1 | -0.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 574 | A | 38.5 | Very low | 35 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 144.8 | -161.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 575 | G | 30.9 | Very low | 34.9 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 146.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 576 | R | 34.6 | Very low | 35.2 | Very low | 252 Ų | 252 | 135.7 Ų | 135.7 | 95% | 0.951 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 143 | -160.9 | -61.3 | 172.6 | 177.4 | -109.3 | 2.4 | 113.9 | ||
| 577 | G | 30.1 | Very low | 35.1 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -166.2 | 107.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 578 | R | 33.5 | Very low | 35.4 | Very low | 252 Ų | 252 | 137.3 Ų | 137.3 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | trans | -75.3 | 156.6 | 169.2 | -64.3 | 173.4 | 177.3 | -108.5 | 6.6 | 108.6 | ||||
| 579 | G | 30.1 | Very low | 35.2 | Very low | 67 Ų | 67 | 141.1 Ų | 141.1 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | cis | 120.3 | 115.9 | 11.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 580 | E | 29.7 | Very low | 34.5 | Very low | 196 Ų | 196 | 138.9 Ų | 138.9 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | 73.5 | 106.7 | 163.2 | -53.5 | -163 | 124.6 | 0 | 0 | 120.4 | ||||
| 581 | V | 30 | Very low | 34.6 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -77.1 | 154.2 | 144.4 | -84.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 582 | P | 48.8 | Very low | 34.7 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -136.7 | 134.7 | 137.8 | 35.8 | -23.7 | 0 | 0 | 0 | 115.3 | ||||
| 583 | N | 35.6 | Very low | 34.2 | Very low | 133 Ų | 133 | 150.4 Ų | 150.4 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 56.7 | 113.1 | 142.3 | -90.6 | -62.7 | 0 | 0 | 0 | 122.2 | ||||
| 584 | K | 36.5 | Very low | 34.4 | Very low | 170 Ų | 170 | 152.2 Ų | 152.2 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | 86.5 | 140.1 | 116.3 | -95.7 | 177.4 | -174.9 | 174.3 | 0 | 123.2 | |||||
| 585 | D | 35.4 | Very low | 34 | Very low | 115 Ų | 115 | 154.4 Ų | 154.4 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | 89.9 | 103.6 | 140.5 | -80.4 | -52.1 | 0 | 0 | 0 | 121.2 | ||||
| 586 | R | 35.7 | Very low | 33.9 | Very low | 225 Ų | 225 | 158.9 Ų | 158.9 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | 93 | 146.6 | 128.6 | -67.6 | 168.7 | 176.9 | -168.1 | -6.5 | 121.7 | |||||
| 587 | K | 31.2 | Very low | 33.9 | Very low | 192 Ų | 192 | 156.3 Ų | 156.3 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 92.6 | 96.3 | 141.1 | -106.8 | -178.1 | 172.5 | -172.5 | 0 | 119.5 | ||||
| 588 | K | 34.1 | Very low | 34.1 | Very low | 169 Ų | 169 | 158 Ų | 158 | 74% | 0.735 | 76% | 0.761 | S | S | * | * | 41.3 | 130.9 | 109.1 | -152.3 | -159.6 | -172.9 | -147.4 | 0 | 118.8 | |||||
| 589 | E | 30.4 | Very low | 34.2 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | 119.1 | 148.5 | 133.1 | -149 | 147.9 | -109.1 | 0 | 0 | 118.4 | ||||
| 590 | A | 33.6 | Very low | 34.6 | Very low | 82 Ų | 82 | 160.3 Ų | 160.3 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | 83 | 108.8 | 160 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 591 | D | 35.8 | Very low | 35.6 | Very low | 141 Ų | 141 | 156.5 Ų | 156.5 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | 47.7 | 130.5 | 129.3 | -82.8 | -102.6 | 0 | 0 | 0 | 124.8 | |||||
| 592 | R | 36.4 | Very low | 36.5 | Very low | 242 Ų | 242 | 155.4 Ų | 155.4 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | -171.3 | 109.2 | 114.9 | -98 | 152.3 | -169.9 | 159.9 | 4.5 | 115.3 | |||||
| 593 | K | 35.2 | Very low | 36.5 | Very low | 174 Ų | 174 | 156.1 Ų | 156.1 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | 39.2 | 126.5 | 138.2 | -75.9 | -158.8 | 155.6 | -164.1 | 0 | 124.9 | ||||
| 594 | D | 36.2 | Very low | 36.9 | Very low | 114 Ų | 114 | 158.4 Ų | 158.4 | 61% | 0.61 | 77% | 0.768 | S | S | * | * | 49.9 | 114.9 | 122.5 | -49.9 | -34.7 | 0 | 0 | 0 | 121.7 | |||||
| 595 | N | 29.9 | Very low | 38 | Very low | 151 Ų | 151 | 156.5 Ų | 156.5 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | 179.7 | 136.5 | 90.6 | -105 | -59.2 | 0 | 0 | 0 | 117.7 | |||||
| 596 | K | 30 | Very low | 38.6 | Very low | 174 Ų | 174 | 160.1 Ų | 160.1 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | 81.9 | 98 | 128.9 | -159.6 | 165.9 | -177.5 | -178.9 | 0 | 122.6 | |||||
| 597 | R | 33.6 | Very low | 39 | Very low | 197 Ų | 197 | 159.3 Ų | 159.3 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | 96.2 | 134.5 | 126.3 | -93.6 | 179.4 | 172.3 | -104.4 | 4.5 | 123.1 | |||||
| 598 | D | 34.6 | Very low | 39.6 | Very low | 115 Ų | 115 | 160.5 Ų | 160.5 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | trans | 68.6 | 93.4 | 142.4 | -58.1 | -32 | 0 | 0 | 0 | 120.2 | ||||
| 599 | S | 35.3 | Very low | 39.9 | Very low | 130 Ų | 130 | 161.5 Ų | 161.5 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -154.2 | 142.3 | 139.1 | -83.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 600 | R | 38.5 | Very low | 40.5 | Very low | 239 Ų | 239 | 163.5 Ų | 163.5 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -113.6 | 127.9 | -164.7 | -174.1 | -172.9 | -168.2 | -167 | 5.4 | 109.4 | ||||
| 601 | P | 50.4 | Low | 41.2 | Very low | 115 Ų | 115 | 165.6 Ų | 165.6 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.3 | 179.4 | 29.9 | -33.8 | 0 | 0 | 0 | 112.2 | ||
| 602 | P | 49.6 | Very low | 42 | Very low | 118 Ų | 118 | 164.8 Ų | 164.8 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 158 | 177.1 | 31.5 | -35 | 0 | 0 | 0 | 112.9 | ||
| 603 | P | 48.2 | Very low | 42.3 | Very low | 128 Ų | 128 | 159.2 Ų | 159.2 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 150.7 | -170.3 | 34.1 | -36.1 | 0 | 0 | 0 | 115 | ||
| 604 | E | 45.2 | Very low | 43.1 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 147.5 | 174.3 | -59.6 | 177.4 | 156.4 | 0 | 0 | 112.9 | ||
| 605 | P | 58.1 | Low | 43.3 | Very low | 130 Ų | 130 | 161.1 Ų | 161.1 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 142.7 | 176.2 | 30 | -34 | 0 | 0 | 0 | 112.6 | ||
| 606 | K | 49.3 | Very low | 43.5 | Very low | 190 Ų | 190 | 163.7 Ų | 163.7 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 141.7 | -173.9 | -63.8 | 174.3 | -179.6 | 175.9 | 0 | 112.4 | ||
| 607 | K | 43.2 | Very low | 44.3 | Very low | 209 Ų | 209 | 160.3 Ų | 160.3 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 135 | 162.4 | -60.8 | 173.8 | -179 | 177 | 0 | 109.5 | ||
| 608 | Y | 44.1 | Very low | 45 | Very low | 217 Ų | 217 | 156.4 Ų | 156.4 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | -113.2 | 142.5 | 167.8 | 36.7 | -92.1 | 0 | 0 | 0 | 109.7 | ||||
| 609 | E | 41.5 | Very low | 45.4 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 152.7 | -171.4 | -73 | -177.4 | 126.1 | 0 | 0 | 113.9 | T611 | E609-T611 PolarHBondContact O-N 3.23Š|
| 610 | E | 43 | Very low | 45.9 | Very low | 197 Ų | 197 | 154.5 Ų | 154.5 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -70 | 116.3 | 172.9 | -177.2 | 175.1 | -178.3 | 0 | 0 | 110.3 | ||
| 611 | T | 47.5 | Very low | 46.4 | Very low | 126 Ų | 126 | 152.9 Ų | 152.9 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -101 | 133.6 | 169.6 | 45.3 | 0 | 0 | 0 | 0 | 109.8 | E609 | E609-T611 PolarHBondContact O-N 3.23Š|
| 612 | P | 51.8 | Low | 46.3 | Very low | 124 Ų | 124 | 159.1 Ų | 159.1 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 137 | -171.3 | 28.3 | -34.8 | 0 | 0 | 0 | 112.5 | ||
| 613 | T | 43.9 | Very low | 46.2 | Very low | 124 Ų | 124 | 157.8 Ų | 157.8 | 76% | 0.761 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 132.7 | -177.9 | 53.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 614 | P | 50.7 | Low | 45.9 | Very low | 127 Ų | 127 | 156 Ų | 156 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 128.4 | 169.5 | 29.6 | -32.7 | 0 | 0 | 0 | 110.8 | F616 | P614-F616 PolarHBondContact O-N 3.08Š|
| 615 | K | 40.8 | Very low | 46 | Very low | 202 Ų | 202 | 154.9 Ų | 154.9 | 88% | 0.878 | 83% | 0.83 | S | S | * | * | trans | -77.3 | 114.7 | 177.7 | -64.4 | 169.6 | -177.7 | 170.2 | 0 | 109.7 | ||||
| 616 | F | 33.8 | Very low | 45.4 | Very low | 205 Ų | 205 | 156.6 Ų | 156.6 | 90% | 0.899 | 83% | 0.831 | S | S | * | * | trans | -97 | 106.2 | 172.9 | -165.7 | -97.8 | 0 | 0 | 0 | 110.7 | P614 | P614-F616 PolarHBondContact O-N 3.08Š| ||
| 617 | S | 48.2 | Very low | 45 | Very low | 102 Ų | 102 | 155 Ų | 155 | 71% | 0.713 | 83% | 0.828 | S | S | * | * | trans | -84.5 | 139.4 | 176.4 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | A619 | S617-A619 PolarHBondContact O-N 2.95Š| ||
| 618 | S | 47.1 | Very low | 45.1 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -68.1 | 121.8 | 175.1 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 619 | A | 43.3 | Very low | 44.7 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | 172.5 | 152.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S617 | S617-A619 PolarHBondContact O-N 2.95Š| ||
| 620 | S | 46.3 | Very low | 44.6 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 58.3 | 98.5 | 158.7 | -59 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 621 | K | 47.8 | Very low | 44.4 | Very low | 206 Ų | 206 | 145 Ų | 145 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | trans | -143.5 | 11.2 | 152.9 | -124.5 | 176.6 | -174.6 | -178.3 | 0 | 116.5 | A623 | K621-A623 PolarHBondContact O-N 3.19Š| ||
| 622 | Y | 49.3 | Very low | 43.7 | Very low | 245 Ų | 245 | 142 Ų | 142 | 96% | 0.961 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -94.2 | 68 | 165.3 | -70.4 | -73.8 | 0 | 0 | 0 | 110 | ||
| 623 | A | 48.1 | Very low | 43.1 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -162.3 | 54.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K621 | K621-A623 PolarHBondContact O-N 3.19Š| ||
| 624 | A | 41.6 | Very low | 42.9 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -156.5 | 121.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 625 | L | 45.8 | Very low | 42.5 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | 69.7 | 64.7 | 152.5 | -53.1 | 173.3 | 0 | 0 | 0 | 117.6 | ||||
| 626 | L | 47.3 | Very low | 42.8 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | S | Bend | -87.1 | 151.4 | 121.2 | -110.8 | 70.5 | 0 | 0 | 0 | 107.9 | |||
| 627 | M | 40.3 | Very low | 43.3 | Very low | 155 Ų | 155 | 142 Ų | 142 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | 86.1 | 141.8 | 178.5 | -69.9 | -71.1 | 154.6 | 0 | 0 | 118.5 | ||||
| 628 | D | 46 | Very low | 43.1 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | 61.8 | 131.4 | 176.4 | -50.9 | -41.6 | 0 | 0 | 0 | 117.2 | ||||
| 629 | G | 35.7 | Very low | 42.7 | Very low | 68 Ų | 68 | 148.9 Ų | 148.9 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | cis | 161 | 164.3 | -2.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 630 | E | 38.6 | Very low | 42.7 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 90% | 0.902 | 84% | 0.837 | S | S | * | * | trans | 73 | 152.3 | 166.3 | -155.2 | 179.7 | 138 | 0 | 0 | 118.1 | ||||
| 631 | Q | 37.7 | Very low | 42.5 | Very low | 181 Ų | 181 | 153.8 Ų | 153.8 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | cis | -167.5 | 152.6 | -45.9 | -168.6 | 154.7 | 21.9 | 0 | 0 | 109.1 | ||||
| 632 | G | 34.3 | Very low | 42.2 | Very low | 62 Ų | 62 | 150.9 Ų | 150.9 | 64% | 0.639 | 84% | 0.836 | S | S | * | * | trans | 81.2 | 147.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 633 | D | 37.8 | Very low | 41.8 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | cis | -142.5 | 149.8 | -7.9 | -89.2 | -59.5 | 0 | 0 | 0 | 107 | ||||
| 634 | D | 40.8 | Very low | 41.4 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | -174.6 | 106.6 | 143.8 | -95.9 | -30.1 | 0 | 0 | 0 | 109.3 | ||||
| 635 | T | 42.8 | Very low | 41.4 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -79.4 | 134.1 | 158.7 | 23.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 636 | E | 46.2 | Very low | 41.1 | Very low | 185 Ų | 185 | 152.2 Ų | 152.2 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | trans | -178.9 | 141 | 131.2 | -98.5 | 161.9 | -155 | 0 | 0 | 113.1 | ||||
| 637 | D | 44.1 | Very low | 40.6 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 78% | 0.781 | 84% | 0.838 | S | S | * | * | trans | 51 | 125.7 | 157.1 | -81.8 | -105.8 | 0 | 0 | 0 | 126.4 | ||||
| 638 | A | 44.8 | Very low | 40.7 | Very low | 90 Ų | 90 | 150.8 Ų | 150.8 | 74% | 0.744 | 84% | 0.844 | S | S | * | * | trans | 64.1 | 137.9 | 135.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 639 | E | 39 | Very low | 40.2 | Very low | 272 Ų | 272 | 149.9 Ų | 149.9 | 100% | 1.271 | 84% | 0.842 | S | S | * | * | cis | -130.4 | 0 | 2.5 | -88.9 | -175.4 | 108.2 | 0 | 0 | 111.2 |
Retrieved 639 of 639 residues in 281.5 ms
(Link to these results)