| 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 | 39.1 | Very low | 34.7 | Very low | 227 Ų | 227 | 157.6 Ų | 157.6 | 100% | 1.118 | 84% | 0.839 | S | S | * | * | 0 | 62.1 | 0 | -55 | -159.1 | 177.1 | 0 | 0 | 106.9 | |||||
| 2 | D | 31.5 | Very low | 34.6 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 79% | 0.791 | 84% | 0.839 | S | S | * | * | 76.7 | 101.7 | 87.7 | -71.6 | -62 | 0 | 0 | 0 | 110.8 | |||||
| 3 | S | 37.9 | Very low | 34.3 | Very low | 106 Ų | 106 | 156.5 Ų | 156.5 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | 155.7 | 103.7 | 119.1 | -68.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 4 | Q | 36.5 | Very low | 33.9 | Very low | 185 Ų | 185 | 157.6 Ų | 157.6 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | 55.7 | 107.5 | 125.8 | -58.2 | -177.1 | 27.6 | 0 | 0 | 121.7 | |||||
| 5 | L | 36.9 | Very low | 33.5 | Very low | 146 Ų | 146 | 155.1 Ų | 155.1 | 76% | 0.764 | 84% | 0.835 | S | S | * | * | 26.5 | 149.6 | 119.5 | -87.4 | 154.7 | 0 | 0 | 0 | 120.4 | E7 | L5-E7 HydrophobicContact CD2-CG 4.04Š| |||
| 6 | P | 35.3 | Very low | 33.3 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | -147.7 | 167.2 | 59.8 | 35.9 | -13.4 | 0 | 0 | 0 | 119.4 | |||||
| 7 | E | 32.3 | Very low | 33.1 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -59.9 | 143 | 178.4 | -64.1 | 169.4 | 120.3 | 0 | 0 | 114.7 | L5 | L5-E7 HydrophobicContact CD2-CG 4.04Š| ||
| 8 | K | 38.4 | Very low | 32.8 | Very low | 210 Ų | 210 | 156.6 Ų | 156.6 | 91% | 0.913 | 84% | 0.843 | S | S | * | * | trans | -133.3 | 119.4 | 153.6 | -89.8 | -173.1 | 178.3 | 178.5 | 0 | 110.3 | ||||
| 9 | A | 29.5 | Very low | 32.6 | Very low | 99 Ų | 99 | 152.3 Ų | 152.3 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -64.4 | 137.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 10 | V | 34.8 | Very low | 32.4 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | -121.7 | 113 | 159.3 | 174.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 11 | K | 29.6 | Very low | 32.3 | Very low | 180 Ų | 180 | 146 Ų | 146 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -74.8 | 134.3 | 168.4 | -69.8 | 173.8 | 172.8 | -176 | 0 | 108.9 | ||||
| 12 | T | 33.4 | Very low | 32 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -134 | 106.9 | 156.7 | 20.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 13 | E | 30.7 | Very low | 32.2 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -81.1 | 132.5 | 174.8 | -63.9 | 172.8 | 172.7 | 0 | 0 | 109.1 | ||||
| 14 | N | 28.5 | Very low | 32.1 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | -105.8 | 118.1 | 166.6 | -100.4 | -29 | 0 | 0 | 0 | 108.2 | ||||
| 15 | P | 27.6 | Very low | 32 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -124.1 | 100.7 | 167 | 33.6 | -17.3 | 0 | 0 | 0 | 110.5 | ||||
| 16 | A | 30.3 | Very low | 31.8 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -162.6 | 44.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 17 | E | 30.4 | Very low | 31.9 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -140 | 65.8 | 169.1 | -76.5 | -161.7 | 154.8 | 0 | 0 | 111.2 | ||||
| 18 | E | 27.3 | Very low | 32 | Very low | 204 Ų | 204 | 134.3 Ų | 134.3 | 95% | 0.953 | 76% | 0.759 | S | S | * | * | trans | -163.8 | 90.6 | 168.1 | -110.6 | 168.2 | -153.8 | 0 | 0 | 109 | ||||
| 19 | G | 28.5 | Very low | 31.7 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -172.2 | -10.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 20 | A | 30.5 | Very low | 32.2 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -106.4 | -7.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 21 | A | 29.4 | Very low | 32.4 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -89.5 | -9.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 22 | S | 33.2 | Very low | 32.8 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -94.4 | -3.4 | -168.4 | 55.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 23 | F | 34.3 | Very low | 33 | Very low | 187 Ų | 187 | 117.1 Ų | 117.1 | 82% | 0.82 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -101.3 | -12.5 | -178.3 | -152.8 | -102.2 | 0 | 0 | 0 | 114.1 | ||
| 24 | E | 36.9 | Very low | 33.4 | Very low | 134 Ų | 134 | 116 Ų | 116 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -92 | -20.1 | -177 | -67.6 | -167.5 | 139.3 | 0 | 0 | 114.2 | S26 | E24-S26 PolarHBondContact O-N 3.15Š|
| 25 | Q | 33.9 | Very low | 34 | Very low | 139 Ų | 139 | 110.2 Ų | 110.2 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.4 | -28.1 | -177.5 | -81.5 | 163.5 | -22.7 | 0 | 0 | 114.2 | S27 Y28 | Q25-S27 VanDerWaalsContact C-N 3.29Å; Q25-S27 PolarHBondContact O-N 3.26Å; Q25-Y28 WeakPolarHBondContact O-CB 3.28Å; Q25-Y28 PolarHBondContact O-N 3.18Å; Q25-Y28 VanDerWaalsContact O-N 3.15Å |
| 26 | S | 33.9 | Very low | 34.6 | Very low | 99 Ų | 99 | 110.2 Ų | 110.2 | 69% | 0.692 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.1 | -26.5 | -179.4 | 163.3 | 0 | 0 | 0 | 0 | 113.8 | E24 | E24-S26 PolarHBondContact O-N 3.15Å |
| 27 | S | 36.5 | Very low | 35 | Very low | 55 Ų | 55 | 111.5 Ų | 111.5 | 39% | 0.385 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -87.1 | -14.6 | 176 | -86.5 | 0 | 0 | 0 | 0 | 113.6 | Q25 | Q25-S27 VanDerWaalsContact C-N 3.29Å; Q25-S27 PolarHBondContact O-N 3.26Å |
| 28 | Y | 34 | Very low | 35.7 | Very low | 152 Ų | 152 | 106.2 Ų | 106.2 | 60% | 0.596 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75 | -41.2 | -179.9 | -150.5 | -90 | 0 | 0 | 0 | 111.3 | Q25 Q30 L31 | Q25-Y28 WeakPolarHBondContact O-CB 3.28Å; Q25-Y28 PolarHBondContact O-N 3.18Å; Q25-Y28 VanDerWaalsContact O-N 3.15Å; Y28-Q30 PolarHBondContact O-N 3.44Å; Y28-Q30 VanDerWaalsContact O-N 3.15Å; Y28-L31 PolarHBondContact O-N 3.41Å; Y28-L31 VanDerWaalsContact O-N 3.08Å |
| 29 | N | 32.5 | Very low | 36.2 | Very low | 122 Ų | 122 | 104.5 Ų | 104.5 | 65% | 0.652 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.6 | -21.1 | 179.3 | -63.9 | -9.5 | 0 | 0 | 0 | 113.8 | ||
| 30 | Q | 40.5 | Very low | 36.7 | Very low | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -82.3 | -13.5 | 178.4 | -142.9 | 176.5 | 30.7 | 0 | 0 | 113.1 | Y28 F34 | Y28-Q30 PolarHBondContact O-N 3.44Å; Y28-Q30 VanDerWaalsContact O-N 3.15Å; Q30-F34 WeakPolarHBondContact O-CD2 3.25Å |
| 31 | L | 37.9 | Very low | 36.9 | Very low | 29 Ų | 29 | 112.2 Ų | 112.2 | 15% | 0.152 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -92.4 | -33.5 | 175.2 | -79.5 | 173.8 | 0 | 0 | 0 | 112.4 | Y28 G33 F34 L35 L327 R331 I334 | Y28-L31 PolarHBondContact O-N 3.41Å; Y28-L31 VanDerWaalsContact O-N 3.08Å; L31-G33 VanDerWaalsContact C-N 3.35Å; L31-G33 PolarHBondContact O-N 3.03Å; L31-F34 PolarHBondContact O-N 2.82Å; L31-F34 VanDerWaalsContact O-N 3.08Å; L31-L35 PolarHBondContact O-N 3.31Å; L31-L35 VanDerWaalsContact O-N 3.11Å; L31-L327 HydrophobicContact CD1-CD1 3.76Å; L31-R331 HydrophobicContact CD2-CG 3.97Å; L31-I334 HydrophobicContact CD2-CD1 4.31Å |
| 32 | E | 38.6 | Very low | 37 | Very low | 94 Ų | 94 | 116.4 Ų | 116.4 | 44% | 0.439 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -57.6 | -47.8 | 174.6 | -66.3 | -96.2 | 123.3 | 0 | 0 | 110.4 | F34 L35 E36 | E32-F34 PolarHBondContact O-N 3.22Å; E32-F34 VanDerWaalsContact O-N 3.12Å; E32-L35 PolarHBondContact O-N 3.47Å; E32-E36 WeakPolarHBondContact O-CG 3.43Å; E32-E36 PolarHBondContact O-N 3.39Å |
| 33 | G | 38.7 | Very low | 37.1 | Very low | 32 Ų | 32 | 118.6 Ų | 118.6 | 33% | 0.33 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.2 | -16.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L31 N37 | L31-G33 VanDerWaalsContact C-N 3.35Å; L31-G33 PolarHBondContact O-N 3.03Å; G33-N37 PolarHBondContact O-ND2 3.37Å |
| 34 | F | 38.7 | Very low | 36.8 | Very low | 141 Ų | 141 | 112.8 Ų | 112.8 | 62% | 0.618 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -87.7 | -23.5 | 171.5 | -97.7 | -86.7 | 0 | 0 | 0 | 112.8 | Q30 L31 E32 V38 | Q30-F34 WeakPolarHBondContact O-CD2 3.25Å; L31-F34 PolarHBondContact O-N 2.82Å; L31-F34 VanDerWaalsContact O-N 3.08Å; E32-F34 PolarHBondContact O-N 3.22Å; E32-F34 VanDerWaalsContact O-N 3.12Å; F34-V38 WeakPolarHBondContact O-CG2 3.42Å |
| 35 | L | 40.2 | Very low | 36.7 | Very low | 51 Ų | 51 | 113.6 Ų | 113.6 | 27% | 0.267 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -88.3 | -35.4 | 178.5 | -71.9 | 170.1 | 0 | 0 | 0 | 111.9 | L31 E32 V38 T318 | L31-L35 PolarHBondContact O-N 3.31Å; L31-L35 VanDerWaalsContact O-N 3.11Å; E32-L35 PolarHBondContact O-N 3.47Å; L35-V38 PolarHBondContact O-N 3.27Å; L35-T318 HydrophobicContact CD1-CG2 4.35Å |
| 36 | E | 40.2 | Very low | 36.5 | Very low | 118 Ų | 118 | 117.1 Ų | 117.1 | 55% | 0.551 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.8 | -34.1 | 177.6 | -70.3 | 176.5 | 153.7 | 0 | 0 | 112.4 | E32 V38 Q39 | E32-E36 WeakPolarHBondContact O-CG 3.43Å; E32-E36 PolarHBondContact O-N 3.39Å; E36-V38 PolarHBondContact O-N 3.39Å; E36-Q39 PolarHBondContact O-N 3.12Å |
| 37 | N | 39.4 | Very low | 36.5 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 66% | 0.663 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -10 | 177.3 | -75.9 | -32 | 0 | 0 | 0 | 114.3 | G33 | G33-N37 PolarHBondContact O-ND2 3.37Š|
| 38 | V | 43.7 | Very low | 36.1 | Very low | 81 Ų | 81 | 123 Ų | 123 | 49% | 0.491 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.7 | -13.6 | 179.7 | 177 | 0 | 0 | 0 | 0 | 112.1 | F34 L35 E36 T338 | F34-V38 WeakPolarHBondContact O-CG2 3.42Å; L35-V38 PolarHBondContact O-N 3.27Å; E36-V38 PolarHBondContact O-N 3.39Å; V38-T338 HydrophobicContact CG2-CG2 4.15Å |
| 39 | Q | 39.6 | Very low | 36 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -87.2 | -4.5 | -178.5 | -67.7 | -172.6 | -17.2 | 0 | 0 | 114.6 | E36 | E36-Q39 PolarHBondContact O-N 3.12Š|
| 40 | H | 37.5 | Very low | 35.8 | Very low | 171 Ų | 171 | 119.8 Ų | 119.8 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -116.1 | 0.1 | -174.2 | -81.2 | -76.7 | 0 | 0 | 0 | 116.3 | ||
| 41 | E | 35.4 | Very low | 35.4 | Very low | 158 Ų | 158 | 123.3 Ų | 123.3 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -139 | 86.8 | 179.5 | -65.2 | -170.1 | 148.3 | 0 | 0 | 111.1 | ||
| 42 | N | 32.1 | Very low | 35.1 | Very low | 168 Ų | 168 | 128.2 Ų | 128.2 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | trans | -177.4 | 87.8 | 142.7 | -97.4 | -52.4 | 0 | 0 | 0 | 110.9 | ||||
| 43 | V | 34.5 | Very low | 34.9 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | trans | -83.9 | 116 | 162.3 | 172.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 44 | G | 27.8 | Very low | 34.5 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | 81.4 | 105.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 45 | V | 35.8 | Very low | 34.1 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | -158.5 | 126.8 | 117.5 | 173.9 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 46 | K | 29.8 | Very low | 33.9 | Very low | 213 Ų | 213 | 139.5 Ų | 139.5 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | -73.9 | 147.2 | 178 | -71.5 | 174.5 | 171.2 | 179.6 | 0 | 111.9 | ||||
| 47 | G | 32.9 | Very low | 33.5 | Very low | 78 Ų | 78 | 139.6 Ų | 139.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 178.2 | 96.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 48 | E | 28 | Very low | 33 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | trans | -63.8 | 141.5 | 176.9 | -72.6 | 157.9 | 99.7 | 0 | 0 | 113.7 | ||||
| 49 | A | 32 | Very low | 32.5 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | -177.7 | 122.7 | 127.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 50 | A | 27.7 | Very low | 32.1 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | -83 | 145.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 51 | E | 33 | Very low | 31.4 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | -154.7 | 125.3 | 142.7 | -146.2 | 170.6 | 160 | 0 | 0 | 111.5 | ||||
| 52 | T | 30.6 | Very low | 31.1 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | trans | -85.9 | 137.5 | -175.3 | 42.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 53 | V | 34.6 | Very low | 31 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | trans | -128.7 | 128.8 | 165.1 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 54 | P | 31.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 158.7 | -171 | 36 | -34.2 | 0 | 0 | 0 | 113.9 | ||
| 55 | K | 29.7 | Very low | 30.8 | Very low | 185 Ų | 185 | 137 Ų | 137 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 141.7 | -178 | -175.7 | -174.7 | -178.3 | -174.8 | 0 | 111.2 | ||
| 56 | P | 35.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 152.8 | 169.8 | 32.7 | -31 | 0 | 0 | 0 | 113.1 | ||
| 57 | P | 32.6 | Very low | 30.1 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 168.8 | -171.6 | 37 | -35.3 | 0 | 0 | 0 | 113.8 | ||
| 58 | P | 29.4 | Very low | 30 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 151.8 | -173.4 | 36.8 | -30.4 | 0 | 0 | 0 | 112.7 | ||
| 59 | T | 32.7 | Very low | 29.9 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -117 | 145.8 | 168.4 | 17.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 60 | T | 29.9 | Very low | 29.6 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | -88.2 | 162.9 | -158.9 | 32.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 61 | A | 24.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -69.8 | 157.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 62 | V | 29.3 | Very low | 29 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -139.7 | 139.2 | 155.1 | -163.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 63 | S | 29.2 | Very low | 28.7 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -80 | 171.8 | -163 | -58.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 64 | P | 27 | Very low | 28.2 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -99.4 | 168.8 | -170.1 | 38.8 | -29.6 | 0 | 0 | 0 | 113.5 | ||||
| 65 | V | 30.6 | Very low | 28.1 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | -137 | 140.8 | 172.9 | -121.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 66 | D | 26.1 | Very low | 27.8 | Very low | 162 Ų | 162 | 125.2 Ų | 125.2 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -80.2 | 144.2 | -164.3 | -68.6 | -73.3 | 0 | 0 | 0 | 118.2 | ||||
| 67 | G | 25.8 | Very low | 27.2 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 54 | 177.5 | 134.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 68 | P | 30.3 | Very low | 26.7 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | cis | -140.9 | 173.2 | -37.4 | 40.4 | -23.6 | 0 | 0 | 0 | 114.8 | ||||
| 69 | S | 25.5 | Very low | 26.5 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | 55.2 | 132.1 | 156.3 | 2.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 70 | T | 25.7 | Very low | 26 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | -179.4 | 154.2 | 89.4 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 71 | S | 23.6 | Very low | 25.8 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | trans | -75.1 | 167.8 | -173.9 | 58.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 72 | M | 24.8 | Very low | 25.9 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 112.7 | 118.5 | 144.8 | -65.6 | -86 | -174.4 | 0 | 0 | 118.8 | ||||
| 73 | A | 23.8 | Very low | 25.8 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | 68 | 108.7 | 137.8 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 74 | Q | 25.6 | Very low | 25.8 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | 51.5 | 162.5 | 122.8 | -70.6 | -162.2 | -45.6 | 0 | 0 | 122.4 | |||||
| 75 | P | 29.1 | Very low | 25.8 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | -135.1 | -179.6 | -62.1 | 34.7 | -13.4 | 0 | 0 | 0 | 113.8 | |||||
| 76 | V | 22.5 | Very low | 25.6 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | 77.8 | 116.2 | 159.5 | -159 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 77 | S | 24.3 | Very low | 25.6 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -165.4 | 142.8 | 132.2 | 15.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 78 | A | 21.9 | Very low | 25.7 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 150.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 79 | Y | 23.8 | Very low | 25.4 | Very low | 235 Ų | 235 | 140.5 Ų | 140.5 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | trans | -139.1 | 128 | 155.3 | -104.6 | -88.9 | 0 | 0 | 0 | 110.8 | ||||
| 80 | K | 22.4 | Very low | 25.3 | Very low | 202 Ų | 202 | 140 Ų | 140 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | trans | -93.1 | 137.1 | 169 | -95.3 | -179 | 172.2 | -178.8 | 0 | 109.6 | ||||
| 81 | K | 26.7 | Very low | 25.3 | Very low | 179 Ų | 179 | 139 Ų | 139 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | trans | -178.1 | 115.5 | 134.9 | -109 | -170 | 161.9 | -178.2 | 0 | 108.5 | ||||
| 82 | E | 26.1 | Very low | 25.3 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | 77.9 | 109 | 91.1 | -75.9 | -178.7 | 176 | 0 | 0 | 113.3 | |||||
| 83 | D | 28 | Very low | 25.3 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | trans | 71.9 | 119.1 | 149.7 | -53.6 | -26.2 | 0 | 0 | 0 | 121.3 | ||||
| 84 | G | 27.8 | Very low | 25.4 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | trans | 136.2 | 92.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 85 | N | 28.3 | Very low | 25.3 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 88% | 0.882 | 72% | 0.721 | S | S | * | * | trans | 72.1 | 104.4 | 151.1 | -55.5 | -15.9 | 0 | 0 | 0 | 118.9 | ||||
| 86 | N | 26.3 | Very low | 25.2 | Very low | 160 Ų | 160 | 129 Ų | 129 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | trans | -93.9 | 114.6 | 173.8 | -66.1 | -24.1 | 0 | 0 | 0 | 111.6 | ||||
| 87 | E | 25.9 | Very low | 25.4 | Very low | 193 Ų | 193 | 128 Ų | 128 | 90% | 0.902 | 71% | 0.707 | S | S | * | * | trans | -111.8 | 115.7 | 153.3 | -99.2 | -177 | 158.7 | 0 | 0 | 107.3 | ||||
| 88 | V | 26.3 | Very low | 25.5 | Very low | 94 Ų | 94 | 129 Ų | 129 | 57% | 0.57 | 71% | 0.708 | S | S | * | * | trans | -108 | 119.8 | 177.8 | 179 | 0 | 0 | 0 | 0 | 108.7 | A123 | V88-A123 HydrophobicContact CG1-CB 3.72Š| ||
| 89 | T | 24.4 | Very low | 25.9 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | trans | -101.3 | 117.6 | 178.6 | -24.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 90 | L | 24.6 | Very low | 26.1 | Very low | 95 Ų | 95 | 121 Ų | 121 | 50% | 0.497 | 67% | 0.668 | S | S | . | * | trans | -86.9 | 114 | 176.8 | -96.4 | 142.9 | 0 | 0 | 0 | 110.5 | ||||
| 91 | Q | 24.4 | Very low | 26.5 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 54% | 0.537 | 66% | 0.659 | S | S | . | * | trans | -99.8 | 117.2 | 164.7 | -78.4 | -167.4 | -36.1 | 0 | 0 | 109.6 | L283 | Q91-L283 HydrophobicContact CG-CD2 4.12Š| ||
| 92 | I | 25.4 | Very low | 26.8 | Very low | 80 Ų | 80 | 109.9 Ų | 109.9 | 41% | 0.41 | 64% | 0.641 | S | S | . | * | trans | -98.8 | 116.6 | 173.4 | -58.7 | 172.8 | 0 | 0 | 0 | 108 | F171 | I92-F171 HydrophobicContact CD1-CZ 4.44Š| ||
| 93 | A | 23.2 | Very low | 27.1 | Very low | 68 Ų | 68 | 108.7 Ų | 108.7 | 56% | 0.562 | 64% | 0.637 | S | S | * | * | trans | -94.9 | 106.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | N95 | A93-N95 PolarHBondContact O-N 2.82Š| ||
| 94 | C | 26.3 | Very low | 27.5 | Very low | 69 Ų | 69 | 104.8 Ų | 104.8 | 47% | 0.466 | 62% | 0.616 | S | S | . | * | trans | -86.4 | 103.7 | 173.2 | -67.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 95 | N | 23.3 | Very low | 27.9 | Very low | 160 Ų | 160 | 109.4 Ų | 109.4 | 86% | 0.856 | 62% | 0.619 | S | S | * | * | trans | -93.5 | 87.2 | 154.7 | -80.1 | -14.3 | 0 | 0 | 0 | 107.3 | A93 | A93-N95 PolarHBondContact O-N 2.82Š| ||
| 96 | A | 28.2 | Very low | 28.2 | Very low | 56 Ų | 56 | 108.8 Ų | 108.8 | 46% | 0.463 | 61% | 0.611 | S | S | . | * | trans | -129 | 147.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 97 | P | 26.2 | Very low | 28.5 | Very low | 112 Ų | 112 | 103.7 Ų | 103.7 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | trans | -61.9 | 147.5 | -169.7 | 26 | -33.9 | 0 | 0 | 0 | 111.5 | I99 | P97-I99 PolarHBondContact O-N 3.23Š| ||
| 98 | V | 26.3 | Very low | 28.5 | Very low | 141 Ų | 141 | 99.5 Ų | 99.5 | 86% | 0.855 | 58% | 0.579 | S | S | * | * | trans | -59.2 | 100.4 | 176.5 | -179.8 | 0 | 0 | 0 | 0 | 109 | N100 | V98-N100 PolarHBondContact O-N 3.36Š| ||
| 99 | I | 30.7 | Very low | 28.5 | Very low | 81 Ų | 81 | 104.5 Ų | 104.5 | 42% | 0.415 | 60% | 0.599 | S | S | . | * | trans | -80.8 | 110.6 | 169.5 | -55.7 | 169.5 | 0 | 0 | 0 | 106.1 | P97 M103 L104 I113 | P97-I99 PolarHBondContact O-N 3.23Å; I99-M103 HydrophobicContact CG2-CB 4.43Å; I99-L104 HydrophobicContact CG2-CD1 3.87Å; I99-I113 HydrophobicContact CD1-CD1 4.49Å | ||
| 100 | N | 28.5 | Very low | 28.7 | Very low | 80 Ų | 80 | 102.8 Ų | 102.8 | 43% | 0.428 | 60% | 0.603 | S | S | . | * | trans | -73.2 | 154.9 | 173.9 | 63.8 | 23.1 | 0 | 0 | 0 | 110.2 | V98 A102 M103 | V98-N100 PolarHBondContact O-N 3.36Å; N100-A102 PolarHBondContact O-N 3.43Å; N100-A102 VanDerWaalsContact O-N 3.14Å; N100-M103 PolarHBondContact O-N 3.04Å; N100-M103 VanDerWaalsContact OD1-CB 3.29Å; N100-M103 WeakPolarHBondContact OD1-CB 3.48Å; N100-M103 WeakPolarHBondContact OD1-CG 3.5Å; N100-M103 PolarHBondContact OD1-N 3.27Å | ||
| 101 | S | 30.9 | Very low | 29.1 | Very low | 99 Ų | 99 | 104.2 Ų | 104.2 | 69% | 0.692 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -56.8 | -27.6 | 178.3 | 41 | 0 | 0 | 0 | 0 | 113.1 | L104 Q105 | S101-L104 PolarHBondContact O-N 3.13Å; S101-Q105 PolarHBondContact O-N 3.18Å |
| 102 | A | 32.4 | Very low | 29.4 | Very low | 48 Ų | 48 | 105.4 Ų | 105.4 | 40% | 0.397 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.3 | -36.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N100 L104 | N100-A102 PolarHBondContact O-N 3.43Å; N100-A102 VanDerWaalsContact O-N 3.14Å; A102-L104 VanDerWaalsContact C-N 3.35Å |
| 103 | M | 32.9 | Very low | 29.7 | Very low | 125 Ų | 125 | 104.9 Ų | 104.9 | 62% | 0.616 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75 | -25.1 | 177.5 | -74.7 | -175.1 | 87.7 | 0 | 0 | 112.5 | I99 N100 | I99-M103 HydrophobicContact CG2-CB 4.43Å; N100-M103 PolarHBondContact O-N 3.04Å; N100-M103 VanDerWaalsContact OD1-CB 3.29Å; N100-M103 WeakPolarHBondContact OD1-CB 3.48Å; N100-M103 WeakPolarHBondContact OD1-CG 3.5Å; N100-M103 PolarHBondContact OD1-N 3.27Å |
| 104 | L | 35.4 | Very low | 30.1 | Very low | 81 Ų | 81 | 108 Ų | 108 | 42% | 0.424 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -77.5 | -31.3 | 176.4 | -141.5 | 81.6 | 0 | 0 | 0 | 112.5 | I99 S101 A102 Q106 | I99-L104 HydrophobicContact CG2-CD1 3.87Å; S101-L104 PolarHBondContact O-N 3.13Å; A102-L104 VanDerWaalsContact C-N 3.35Å; L104-Q106 VanDerWaalsContact C-N 3.28Å; L104-Q106 PolarHBondContact O-N 3.01Å |
| 105 | Q | 36.4 | Very low | 30.4 | Very low | 164 Ų | 164 | 108 Ų | 108 | 77% | 0.766 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.4 | -15.5 | 175.5 | -76.5 | 177.4 | -20.5 | 0 | 0 | 113.7 | S101 | S101-Q105 PolarHBondContact O-N 3.18Å |
| 106 | Q | 35.5 | Very low | 30.6 | Very low | 151 Ų | 151 | 104.3 Ų | 104.3 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 0.4 | -179.3 | -69.4 | -179.1 | -7.3 | 0 | 0 | 113.9 | L104 T108 | L104-Q106 VanDerWaalsContact C-N 3.28Å; L104-Q106 PolarHBondContact O-N 3.01Å; Q106-T108 VanDerWaalsContact C-N 3.32Å; Q106-T108 PolarHBondContact O-N 3.37Å |
| 107 | A | 30.9 | Very low | 30.7 | Very low | 54 Ų | 54 | 106.3 Ų | 106.3 | 45% | 0.446 | 60% | 0.601 | S | S | . | * | trans | -73.2 | 85.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 108 | T | 27.2 | Very low | 30.8 | Very low | 104 Ų | 104 | 104 Ų | 104 | 64% | 0.638 | 59% | 0.591 | S | S | * | * | trans | -55.2 | 140.1 | 168.1 | 47.7 | 0 | 0 | 0 | 0 | 110.6 | Q106 G110 | Q106-T108 VanDerWaalsContact C-N 3.32Å; Q106-T108 PolarHBondContact O-N 3.37Å; T108-G110 PolarHBondContact O-N 3.28Å | ||
| 109 | M | 25.9 | Very low | 31.1 | Very low | 200 Ų | 200 | 102.1 Ų | 102.1 | 99% | 0.985 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -38.1 | 122.4 | -176.6 | -60.2 | -158.7 | 92 | 0 | 0 | 113.1 | ||
| 110 | G | 28.3 | Very low | 31.1 | Very low | 75 Ų | 75 | 104.1 Ų | 104.1 | 77% | 0.773 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.6 | 5.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | T108 | T108-G110 PolarHBondContact O-N 3.28Š|
| 111 | Q | 32.6 | Very low | 31.1 | Very low | 125 Ų | 125 | 104.2 Ų | 104.2 | 58% | 0.584 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -84 | 128.5 | 176.6 | -72 | -176.1 | -19.1 | 0 | 0 | 112.7 | ||
| 112 | Q | 32 | Very low | 31.1 | Very low | 141 Ų | 141 | 107 Ų | 107 | 66% | 0.659 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 135.5 | 176.8 | -62 | 163.8 | -5.2 | 0 | 0 | 108.8 | L133 | Q112-L133 HydrophobicContact CB-CD2 4.36Å; Q112-L133 HydrophobicContact CG-CD2 3.91Å; Q112-L133 VanDerWaalsContact NE2-CD2 3.27Å |
| 113 | I | 31.9 | Very low | 31 | Very low | 68 Ų | 68 | 106.8 Ų | 106.8 | 35% | 0.349 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -101.2 | 131.4 | 175.3 | -58.2 | -173.6 | 0 | 0 | 0 | 109.5 | I99 V115 L136 | I99-I113 HydrophobicContact CD1-CD1 4.49Å; I113-V115 HydrophobicContact CG2-CG2 4.25Å; I113-L136 HydrophobicContact CD1-CD1 3.5Å; I113-L136 HydrophobicContact CG1-CD1 3.9Å |
| 114 | L | 30.6 | Very low | 31.1 | Very low | 134 Ų | 134 | 105.5 Ų | 105.5 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 118.7 | 174.5 | -145.2 | 89 | 0 | 0 | 0 | 109.3 | T131 | L114-T131 HydrophobicContact CD1-CG2 3.51Å; L114-T131 HydrophobicContact CG-CG2 4.15Å |
| 115 | V | 32.1 | Very low | 30.9 | Very low | 68 Ų | 68 | 106.1 Ų | 106.1 | 41% | 0.412 | 62% | 0.623 | S | S | . | * | trans | -117.8 | 113.3 | 174.7 | -175 | 0 | 0 | 0 | 0 | 109.6 | I113 | I113-V115 HydrophobicContact CG2-CG2 4.25Š| ||
| 116 | P | 28.4 | Very low | 30.7 | Very low | 84 Ų | 84 | 106 Ų | 106 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | trans | -74.1 | 131.5 | 173.6 | 28.3 | -30.4 | 0 | 0 | 0 | 110.5 | ||||
| 117 | I | 29.7 | Very low | 30.4 | Very low | 97 Ų | 97 | 107 Ų | 107 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | trans | -99 | 119.2 | 175.1 | -54 | 173.1 | 0 | 0 | 0 | 108 | ||||
| 118 | A | 27.9 | Very low | 30.2 | Very low | 63 Ų | 63 | 110.4 Ų | 110.4 | 52% | 0.521 | 64% | 0.642 | S | S | . | * | trans | -106.5 | 118.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 119 | H | 33.7 | Very low | 30.4 | Very low | 103 Ų | 103 | 109 Ų | 109 | 48% | 0.477 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -93.4 | 140 | 177.6 | -102 | -95.4 | 0 | 0 | 0 | 111.8 | ||
| 120 | N | 30.3 | Very low | 30.5 | Very low | 123 Ų | 123 | 102.5 Ų | 102.5 | 66% | 0.658 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 141.6 | 159 | -142.9 | -15.8 | 0 | 0 | 0 | 107.8 | ||
| 121 | A | 28.5 | Very low | 30.6 | Very low | 81 Ų | 81 | 103.4 Ų | 103.4 | 67% | 0.669 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -57.6 | 141 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 122 | D | 30.4 | Very low | 30.5 | Very low | 157 Ų | 157 | 100.8 Ų | 100.8 | 84% | 0.84 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 99.5 | 112.4 | -177.6 | -44.9 | -22.6 | 0 | 0 | 0 | 113 | ||
| 123 | A | 31 | Very low | 30.5 | Very low | 45 Ų | 45 | 99.5 Ų | 99.5 | 37% | 0.372 | 60% | 0.603 | S | S | . | * | S | Bend | trans | 88.9 | 117.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | V88 | V88-A123 HydrophobicContact CG1-CB 3.72Š|
| 124 | N | 33.8 | Very low | 30.6 | Very low | 98 Ų | 98 | 98.9 Ų | 98.9 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | trans | 88.6 | 76.6 | 155.9 | -46.3 | -25 | 0 | 0 | 0 | 117.6 | Y126 | N124-Y126 PolarHBondContact O-N 3.37Š| ||
| 125 | G | 32.1 | Very low | 30.6 | Very low | 93 Ų | 93 | 97.6 Ų | 97.6 | 96% | 0.959 | 60% | 0.599 | S | S | * | * | 41.5 | 3 | 128.9 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 126 | Y | 32.1 | Very low | 30.9 | Very low | 163 Ų | 163 | 98.1 Ų | 98.1 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 130.3 | 179.2 | -73.3 | -86 | 0 | 0 | 0 | 110.4 | N124 | N124-Y126 PolarHBondContact O-N 3.37Š|
| 127 | Q | 28.3 | Very low | 31.3 | Very low | 171 Ų | 171 | 99.5 Ų | 99.5 | 80% | 0.799 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 141.1 | 174.1 | -68.3 | -165.8 | -11.8 | 0 | 0 | 110.4 | G129 S130 | Q127-G129 PolarHBondContact O-N 3.35Å; Q127-S130 PolarHBondContact O-OG 3.4Å; Q127-S130 VanDerWaalsContact O-OG 3.09Å |
| 128 | S | 28.5 | Very low | 31.9 | Very low | 126 Ų | 126 | 98.4 Ų | 98.4 | 88% | 0.881 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | 133.5 | 173.6 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 129 | G | 29.5 | Very low | 32.4 | Very low | 75 Ų | 75 | 100.5 Ų | 100.5 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.7 | 10.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q127 T131 | Q127-G129 PolarHBondContact O-N 3.35Å; G129-T131 PolarHBondContact O-N 2.98Å |
| 130 | S | 29.6 | Very low | 32.7 | Very low | 62 Ų | 62 | 100.3 Ų | 100.3 | 43% | 0.434 | 61% | 0.614 | S | S | . | * | trans | -71.6 | 126.6 | 176 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | Q127 | Q127-S130 PolarHBondContact O-OG 3.4Å; Q127-S130 VanDerWaalsContact O-OG 3.09Å | ||
| 131 | T | 30 | Very low | 33.1 | Very low | 94 Ų | 94 | 97.1 Ų | 97.1 | 58% | 0.577 | 60% | 0.596 | S | S | * | * | trans | -99.5 | 129.1 | 177.8 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | L114 G129 | L114-T131 HydrophobicContact CD1-CG2 3.51Å; L114-T131 HydrophobicContact CG-CG2 4.15Å; G129-T131 PolarHBondContact O-N 2.98Å | ||
| 132 | V | 31.3 | Very low | 33.3 | Very low | 71 Ų | 71 | 100 Ų | 100 | 43% | 0.43 | 61% | 0.608 | S | S | . | * | trans | -115.5 | 129.4 | 174.8 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 133 | L | 30.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 98.3 Ų | 98.3 | 60% | 0.597 | 60% | 0.599 | S | S | * | * | trans | -82.1 | 124.3 | 174.8 | -83.5 | 133.3 | 0 | 0 | 0 | 110.3 | Q112 | Q112-L133 HydrophobicContact CB-CD2 4.36Å; Q112-L133 HydrophobicContact CG-CD2 3.91Å; Q112-L133 VanDerWaalsContact NE2-CD2 3.27Å | ||
| 134 | L | 33.9 | Very low | 33.7 | Very low | 54 Ų | 54 | 98.2 Ų | 98.2 | 28% | 0.283 | 60% | 0.602 | S | S | . | * | trans | -125 | 124.1 | 176.2 | -75.5 | 161.8 | 0 | 0 | 0 | 111.2 | L150 | L134-L150 HydrophobicContact CD1-CD2 3.57Å; L134-L150 HydrophobicContact CD2-CD2 3.58Å; L134-L150 HydrophobicContact CG-CD2 4.19Å | ||
| 135 | P | 31.7 | Very low | 33.7 | Very low | 107 Ų | 107 | 93.8 Ų | 93.8 | 70% | 0.695 | 58% | 0.579 | S | S | * | * | trans | -77 | 123.7 | 169.8 | 29.2 | -29.4 | 0 | 0 | 0 | 110.2 | ||||
| 136 | L | 38.1 | Very low | 33.9 | Very low | 79 Ų | 79 | 93 Ų | 93 | 41% | 0.414 | 55% | 0.548 | S | S | . | . | trans | -88.5 | 111.3 | 173.1 | -77.3 | 162 | 0 | 0 | 0 | 109.8 | I113 V148 | I113-L136 HydrophobicContact CD1-CD1 3.5Å; I113-L136 HydrophobicContact CG1-CD1 3.9Å; L136-V148 HydrophobicContact CD2-CG1 3.81Å; L136-V148 HydrophobicContact CD2-CG2 3.82Å | ||
| 137 | V | 37.1 | Very low | 34 | Very low | 114 Ų | 114 | 89.1 Ų | 89.1 | 69% | 0.691 | 54% | 0.536 | S | S | * | . | trans | -108.3 | 102.2 | 155.4 | -176.7 | 0 | 0 | 0 | 0 | 106.5 | N139 | V137-N139 PolarHBondContact O-N 3.43Š| ||
| 138 | P | 42.3 | Very low | 34.3 | Very low | 74 Ų | 74 | 82.8 Ų | 82.8 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 117.6 | 176.4 | 27.2 | -28.6 | 0 | 0 | 0 | 110 | Y146 | P138-Y146 HydrophobicContact CB-CD1 4.02Š|
| 139 | N | 37.5 | Very low | 34.6 | Very low | 106 Ų | 106 | 83.6 Ų | 83.6 | 57% | 0.567 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120.1 | 158.4 | -89.4 | -18.8 | 0 | 0 | 0 | 107.8 | V137 Y146 E147 | V137-N139 PolarHBondContact O-N 3.43Å; N139-Y146 WeakPolarHBondContact O-CA 3.32Å; N139-E147 HydrophobicContact CB-CB 4.31Å; N139-E147 PolarHBondContact N-O 3.35Å; N139-E147 PolarHBondContact O-N 3.02Å |
| 140 | V | 39.4 | Very low | 34.8 | Very low | 100 Ų | 100 | 82.7 Ų | 82.7 | 61% | 0.606 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.4 | 178 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | Y146 | V140-Y146 HydrophobicContact CG2-CD1 4.03Å; V140-Y146 HydrophobicContact CG2-CE1 3.91Å |
| 141 | L | 39.9 | Very low | 34.8 | Very low | 55 Ų | 55 | 83.7 Ų | 83.7 | 29% | 0.288 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 157.1 | 174.9 | -74 | 167.1 | 0 | 0 | 0 | 111.1 | D143 G144 S145 E147 | L141-D143 VanDerWaalsContact CB-OD1 3.3Å; L141-D143 WeakPolarHBondContact CB-OD1 3.44Å; L141-D143 PolarHBondContact O-N 3.12Å; L141-G144 PolarHBondContact O-N 2.93Å; L141-S145 WeakPolarHBondContact CB-OG 3.44Å; L141-S145 WeakPolarHBondContact CD1-OG 3.35Å; L141-S145 PolarHBondContact N-O 2.87Å; L141-E147 HydrophobicContact CD1-CG 3.83Å; L141-E147 HydrophobicContact CG-CG 4.33Å |
| 142 | P | 32.7 | Very low | 34.7 | Very low | 141 Ų | 141 | 82.7 Ų | 82.7 | 92% | 0.916 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -16.4 | -176.8 | -22.4 | 32.7 | 0 | 0 | 0 | 115.3 | ||
| 143 | D | 36.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 85.1 Ų | 85.1 | 65% | 0.652 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.1 | 179.5 | 64.2 | -3.7 | 0 | 0 | 0 | 113.2 | L141 S145 | L141-D143 VanDerWaalsContact CB-OD1 3.3Å; L141-D143 WeakPolarHBondContact CB-OD1 3.44Å; L141-D143 PolarHBondContact O-N 3.12Å; D143-S145 WeakPolarHBondContact OD1-CB 3.45Å; D143-S145 PolarHBondContact OD1-N 3.2Å; D143-S145 PolarHBondContact OD1-OG 3.23Å; D143-S145 PolarHBondContact OD2-OG 2.9Å |
| 144 | G | 33.5 | Very low | 34.7 | Very low | 43 Ų | 43 | 86.6 Ų | 86.6 | 44% | 0.443 | 51% | 0.513 | S | S | . | . | S | Bend | trans | 84.2 | 6.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L141 | L141-G144 PolarHBondContact O-N 2.93Š|
| 145 | S | 34.2 | Very low | 34.5 | Very low | 5 Ų | 5 | 90.4 Ų | 90.4 | 4% | 0.035 | 53% | 0.532 | C | S | . | . | trans | -83.2 | 157.4 | 172.6 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | L141 D143 | L141-S145 WeakPolarHBondContact CB-OG 3.44Å; L141-S145 WeakPolarHBondContact CD1-OG 3.35Å; L141-S145 PolarHBondContact N-O 2.87Å; D143-S145 WeakPolarHBondContact OD1-CB 3.45Å; D143-S145 PolarHBondContact OD1-N 3.2Å; D143-S145 PolarHBondContact OD1-OG 3.23Å; D143-S145 PolarHBondContact OD2-OG 2.9Å | ||
| 146 | Y | 35.8 | Very low | 34.4 | Very low | 76 Ų | 76 | 90.5 Ų | 90.5 | 30% | 0.298 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.8 | 179.5 | -54.8 | -90.7 | 0 | 0 | 0 | 110.1 | P138 N139 V140 | P138-Y146 HydrophobicContact CB-CD1 4.02Å; N139-Y146 WeakPolarHBondContact O-CA 3.32Å; V140-Y146 HydrophobicContact CG2-CD1 4.03Å; V140-Y146 HydrophobicContact CG2-CE1 3.91Å |
| 147 | E | 32.8 | Very low | 33.8 | Very low | 83 Ų | 83 | 95.8 Ų | 95.8 | 39% | 0.388 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.1 | 166.4 | -68.6 | -172.3 | 154.9 | 0 | 0 | 109.9 | N139 L141 | N139-E147 HydrophobicContact CB-CB 4.31Å; N139-E147 PolarHBondContact N-O 3.35Å; N139-E147 PolarHBondContact O-N 3.02Å; L141-E147 HydrophobicContact CD1-CG 3.83Å; L141-E147 HydrophobicContact CG-CG 4.33Å |
| 148 | V | 35.4 | Very low | 33.3 | Very low | 38 Ų | 38 | 99.3 Ų | 99.3 | 23% | 0.23 | 57% | 0.565 | C | S | . | * | trans | -117 | 113 | 170.8 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | L136 L150 | L136-V148 HydrophobicContact CD2-CG1 3.81Å; L136-V148 HydrophobicContact CD2-CG2 3.82Å; V148-L150 PolarHBondContact O-N 2.95Å | ||
| 149 | L | 34 | Very low | 32.6 | Very low | 142 Ų | 142 | 104.3 Ų | 104.3 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | trans | -86.5 | 107.4 | 177.2 | -144.8 | 107.2 | 0 | 0 | 0 | 109.7 | S151 | L149-S151 PolarHBondContact O-N 3.06Š| ||
| 150 | L | 33.9 | Very low | 31.9 | Very low | 57 Ų | 57 | 108.5 Ų | 108.5 | 30% | 0.298 | 60% | 0.598 | S | S | . | * | trans | -74.9 | 89.7 | 174.5 | -66.6 | 173.4 | 0 | 0 | 0 | 110.1 | L134 V148 F171 | L134-L150 HydrophobicContact CD1-CD2 3.57Å; L134-L150 HydrophobicContact CD2-CD2 3.58Å; L134-L150 HydrophobicContact CG-CD2 4.19Å; V148-L150 PolarHBondContact O-N 2.95Å; L150-F171 HydrophobicContact CD1-CD2 3.95Å; L150-F171 HydrophobicContact CD1-CE2 3.63Å | ||
| 151 | S | 29.8 | Very low | 31.3 | Very low | 82 Ų | 82 | 110.2 Ų | 110.2 | 57% | 0.573 | 61% | 0.608 | S | S | * | * | trans | -94.2 | 118 | 170.4 | -51 | 0 | 0 | 0 | 0 | 108.9 | L149 | L149-S151 PolarHBondContact O-N 3.06Š| ||
| 152 | G | 29.2 | Very low | 30.5 | Very low | 74 Ų | 74 | 116.4 Ų | 116.4 | 76% | 0.763 | 64% | 0.636 | S | S | * | * | trans | 137.1 | 3.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118 | N154 | G152-N154 PolarHBondContact O-N 2.94Å; G152-N154 VanDerWaalsContact O-N 3.1Å | ||
| 153 | L | 31 | Very low | 30.1 | Very low | 121 Ų | 121 | 117.3 Ų | 117.3 | 63% | 0.634 | 63% | 0.633 | S | S | * | * | trans | -74.8 | 100.2 | 172.5 | -72.4 | 168.6 | 0 | 0 | 0 | 110.1 | I155 | L153-I155 PolarHBondContact O-N 3.31Å; L153-I155 VanDerWaalsContact O-N 3.16Å | ||
| 154 | N | 29.6 | Very low | 29.5 | Very low | 145 Ų | 145 | 116 Ų | 116 | 78% | 0.775 | 64% | 0.639 | S | S | * | * | trans | -80.1 | 89.7 | 174.9 | -155.8 | -18.8 | 0 | 0 | 0 | 109.1 | G152 | G152-N154 PolarHBondContact O-N 2.94Å; G152-N154 VanDerWaalsContact O-N 3.1Å | ||
| 155 | I | 31 | Very low | 29.2 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 123.9 | 174.7 | -57.7 | 171.1 | 0 | 0 | 0 | 107.4 | L153 Q157 | L153-I155 PolarHBondContact O-N 3.31Å; L153-I155 VanDerWaalsContact O-N 3.16Å; I155-Q157 PolarHBondContact O-N 3.31Å |
| 156 | P | 28.1 | Very low | 28.8 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 121.9 | -176.8 | 6.8 | -6.5 | 0 | 0 | 0 | 111.2 | Q158 | P156-Q158 PolarHBondContact O-N 3.14Š|
| 157 | Q | 25.6 | Very low | 28.4 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 118.3 | 172.8 | -74.2 | 179.5 | -25.4 | 0 | 0 | 110.4 | I155 | I155-Q157 PolarHBondContact O-N 3.31Š|
| 158 | Q | 27.6 | Very low | 28.2 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.883 | 73% | 0.729 | S | S | * | * | trans | -140.4 | 118.1 | 149.6 | -76 | -159 | -33.1 | 0 | 0 | 112.3 | P156 | P156-Q158 PolarHBondContact O-N 3.14Š| ||
| 159 | Q | 27.1 | Very low | 28 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | trans | 63.7 | 100.9 | 157.9 | -104.3 | 162.6 | -17.4 | 0 | 0 | 121.1 | V161 | Q159-V161 PolarHBondContact O-N 3.32Š| ||
| 160 | E | 23.1 | Very low | 27.9 | Very low | 194 Ų | 194 | 132.5 Ų | 132.5 | 91% | 0.907 | 72% | 0.721 | S | S | * | * | trans | -2.7 | 104.3 | 153.5 | -73.9 | 173.3 | 137.5 | 0 | 0 | 117.1 | ||||
| 161 | V | 25.9 | Very low | 27.9 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | trans | -120.1 | 123 | 146.9 | -179.9 | 0 | 0 | 0 | 0 | 107 | Q159 N163 | Q159-V161 PolarHBondContact O-N 3.32Å; V161-N163 PolarHBondContact O-N 3.31Å | ||
| 162 | Q | 23.6 | Very low | 27.9 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -59 | 99.2 | 179.5 | -66.6 | -177 | -14 | 0 | 0 | 110.7 | ||
| 163 | N | 25 | Very low | 28.1 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 86% | 0.856 | 68% | 0.681 | S | S | * | * | trans | -175.6 | 111.7 | 142.2 | -94.2 | -22.3 | 0 | 0 | 0 | 108.3 | V161 N165 | V161-N163 PolarHBondContact O-N 3.31Å; N163-N165 PolarHBondContact O-N 2.94Å | ||
| 164 | A | 23.7 | Very low | 28.1 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -60.7 | 122.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 165 | N | 26.5 | Very low | 28.1 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 84% | 0.84 | 67% | 0.674 | S | S | * | * | trans | -163.2 | 109.1 | 149.4 | -88.5 | -28.9 | 0 | 0 | 0 | 108.8 | N163 S167 | N163-N165 PolarHBondContact O-N 2.94Å; N165-S167 PolarHBondContact O-N 2.8Å | ||
| 166 | R | 26.2 | Very low | 28.1 | Very low | 254 Ų | 254 | 126 Ų | 126 | 96% | 0.958 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 116.1 | 170.1 | -77.4 | 177.7 | 164.1 | 167.2 | -4.9 | 108.3 | A168 | R166-A168 PolarHBondContact O-N 3.11Š|
| 167 | S | 28.4 | Very low | 28.2 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 116.3 | 176.4 | -49.2 | 0 | 0 | 0 | 0 | 110.6 | N165 | N165-S167 PolarHBondContact O-N 2.8Š|
| 168 | A | 28.4 | Very low | 28.3 | Very low | 61 Ų | 61 | 129.8 Ų | 129.8 | 50% | 0.504 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -101.6 | 132.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R166 | R166-A168 PolarHBondContact O-N 3.11Š|
| 169 | L | 31.1 | Very low | 28.3 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 38% | 0.377 | 68% | 0.683 | S | S | . | * | trans | -84.6 | 115.5 | 170.5 | -90.2 | 158.1 | 0 | 0 | 0 | 108.5 | F171 P185 | L169-F171 HydrophobicContact CB-CE2 4.27Å; L169-F171 HydrophobicContact CD2-CZ 4.47Å; L169-P185 HydrophobicContact CD2-CB 3.85Å | ||
| 170 | I | 30.8 | Very low | 28.2 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 42% | 0.421 | 69% | 0.686 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 126.9 | 172 | -58.7 | 174.2 | 0 | 0 | 0 | 107.6 | V186 | I170-V186 PolarHBondContact O-N 3.43Å |
| 171 | F | 33.5 | Very low | 28.4 | Very low | 39 Ų | 39 | 127.1 Ų | 127.1 | 17% | 0.171 | 67% | 0.668 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 124.1 | 171.3 | -69.6 | -76.1 | 0 | 0 | 0 | 109.1 | I92 L150 L169 V183 M184 P185 | I92-F171 HydrophobicContact CD1-CZ 4.44Å; L150-F171 HydrophobicContact CD1-CD2 3.95Å; L150-F171 HydrophobicContact CD1-CE2 3.63Å; L169-F171 HydrophobicContact CB-CE2 4.27Å; L169-F171 HydrophobicContact CD2-CZ 4.47Å; F171-V183 HydrophobicContact CB-CG1 4.36Å; F171-V183 HydrophobicContact CD1-CG1 3.21Å; F171-V183 HydrophobicContact CE1-CG1 3.63Å; F171-V183 HydrophobicContact CG-CG1 4Å; F171-M184 WeakPolarHBondContact CD1-O 3.36Å; F171-P185 HydrophobicContact CE1-CB 4.08Å |
| 172 | L | 30.2 | Very low | 28.5 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 37% | 0.366 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.9 | 169.7 | -68.8 | 169.3 | 0 | 0 | 0 | 108.8 | ||
| 173 | I | 33.1 | Very low | 28.8 | Very low | 53 Ų | 53 | 118 Ų | 118 | 27% | 0.272 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 106.9 | 175.7 | -59.4 | 178.1 | 0 | 0 | 0 | 107.4 | V181 | I173-V181 HydrophobicContact CG2-CG1 3.86Å |
| 174 | N | 31.6 | Very low | 29.1 | Very low | 111 Ų | 111 | 113.3 Ų | 113.3 | 59% | 0.594 | 60% | 0.601 | S | S | * | * | trans | -90.1 | 113.5 | 171.9 | -71.2 | -17.3 | 0 | 0 | 0 | 109.2 | ||||
| 175 | G | 30.7 | Very low | 29.6 | Very low | 63 Ų | 63 | 112 Ų | 112 | 65% | 0.649 | 58% | 0.584 | S | S | * | * | trans | -94 | 104.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 176 | N | 29.7 | Very low | 29.8 | Very low | 141 Ų | 141 | 107.2 Ų | 107.2 | 75% | 0.754 | 56% | 0.561 | S | S | * | * | trans | -99.2 | 138.6 | 160.5 | -72.6 | 1.9 | 0 | 0 | 0 | 108.4 | E178 | N176-E178 PolarHBondContact O-N 3.23Š| ||
| 177 | E | 30.4 | Very low | 30.1 | Very low | 196 Ų | 196 | 100.2 Ų | 100.2 | 92% | 0.916 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -57.4 | 118.8 | 170.8 | -58.4 | -177.3 | 160.2 | 0 | 0 | 107.8 | ||
| 178 | E | 28.3 | Very low | 30.1 | Very low | 182 Ų | 182 | 98.2 Ų | 98.2 | 85% | 0.85 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 78.6 | 110.3 | -174.2 | -49.4 | -171.8 | 153.6 | 0 | 0 | 116 | N176 | N176-E178 PolarHBondContact O-N 3.23Š|
| 179 | E | 27 | Very low | 30.2 | Very low | 181 Ų | 181 | 101.1 Ų | 101.1 | 85% | 0.846 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 78 | 112.3 | 164.5 | -59.3 | -167.2 | 140.7 | 0 | 0 | 120.2 | ||
| 180 | R | 25.3 | Very low | 30 | Very low | 235 Ų | 235 | 104.4 Ų | 104.4 | 89% | 0.887 | 56% | 0.56 | S | S | * | * | trans | 68 | 101.5 | 158.5 | -62.5 | -174.8 | 173.9 | -153.5 | -3.1 | 117.8 | S182 | R180-S182 PolarHBondContact O-N 3.45Š| ||
| 181 | V | 27.2 | Very low | 29.9 | Very low | 89 Ų | 89 | 108 Ų | 108 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | trans | -62.5 | 115.5 | 159.3 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | I173 V183 | I173-V181 HydrophobicContact CG2-CG1 3.86Å; V181-V183 HydrophobicContact CG1-CG2 4.01Å | ||
| 182 | S | 28.8 | Very low | 29.7 | Very low | 61 Ų | 61 | 113.3 Ų | 113.3 | 43% | 0.427 | 61% | 0.609 | S | S | . | * | trans | -98.8 | 113.4 | 171.3 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | R180 | R180-S182 PolarHBondContact O-N 3.45Š| ||
| 183 | V | 29.8 | Very low | 29.6 | Very low | 67 Ų | 67 | 117.1 Ų | 117.1 | 41% | 0.406 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.5 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | F171 V181 | F171-V183 HydrophobicContact CB-CG1 4.36Å; F171-V183 HydrophobicContact CD1-CG1 3.21Å; F171-V183 HydrophobicContact CE1-CG1 3.63Å; F171-V183 HydrophobicContact CG-CG1 4Å; V181-V183 HydrophobicContact CG1-CG2 4.01Å |
| 184 | M | 31 | Very low | 29.2 | Very low | 63 Ų | 63 | 120.4 Ų | 120.4 | 31% | 0.31 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120 | 128.8 | 177.7 | -57.8 | -159.6 | 99.8 | 0 | 0 | 110.9 | F171 V277 | F171-M184 WeakPolarHBondContact CD1-O 3.36Å; M184-V277 HydrophobicContact CE-CG1 3.86Å |
| 185 | P | 33.3 | Very low | 29.2 | Very low | 66 Ų | 66 | 122 Ų | 122 | 43% | 0.429 | 66% | 0.658 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 129.6 | 171.2 | 29.3 | -30.8 | 0 | 0 | 0 | 110.3 | L169 F171 | L169-P185 HydrophobicContact CD2-CB 3.85Å; F171-P185 HydrophobicContact CE1-CB 4.08Å |
| 186 | V | 31.1 | Very low | 29.1 | Very low | 57 Ų | 57 | 127.7 Ų | 127.7 | 35% | 0.345 | 67% | 0.668 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.1 | 169.1 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | I170 | I170-V186 PolarHBondContact O-N 3.43Å |
| 187 | T | 31.8 | Very low | 28.9 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 66% | 0.663 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 127.3 | 167.5 | 37.5 | 0 | 0 | 0 | 0 | 109.8 | T189 | T187-T189 PolarHBondContact O-N 3.45Å; T187-T189 VanDerWaalsContact O-N 3.12Å |
| 188 | T | 28.3 | Very low | 28.8 | Very low | 65 Ų | 65 | 124.1 Ų | 124.1 | 40% | 0.399 | 67% | 0.666 | S | S | . | * | trans | -78.1 | 91.6 | 175.6 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 189 | T | 31.1 | Very low | 28.7 | Very low | 122 Ų | 122 | 119.2 Ų | 119.2 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | trans | -127.3 | 114.9 | 163.9 | 42.1 | 0 | 0 | 0 | 0 | 110.2 | T187 | T187-T189 PolarHBondContact O-N 3.45Å; T187-T189 VanDerWaalsContact O-N 3.12Å | ||
| 190 | N | 27.7 | Very low | 28.6 | Very low | 142 Ų | 142 | 116.1 Ų | 116.1 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | trans | 70.9 | 59.3 | 173.8 | -89.2 | -69 | 0 | 0 | 0 | 119.2 | N192 | N190-N192 VanDerWaalsContact C-N 3.29Å; N190-N192 PolarHBondContact O-N 3.35Å | ||
| 191 | L | 28.4 | Very low | 28.7 | Very low | 158 Ų | 158 | 109 Ų | 109 | 83% | 0.827 | 65% | 0.653 | S | S | * | * | trans | -80.1 | 75.3 | 148.7 | -83.2 | 154.2 | 0 | 0 | 0 | 108.9 | ||||
| 192 | N | 28.4 | Very low | 29.1 | Very low | 150 Ų | 150 | 109.2 Ų | 109.2 | 80% | 0.802 | 66% | 0.659 | S | S | * | * | trans | -177 | 51.3 | 164.4 | -98.2 | -23.1 | 0 | 0 | 0 | 113.8 | N190 | N190-N192 VanDerWaalsContact C-N 3.29Å; N190-N192 PolarHBondContact O-N 3.35Å | ||
| 193 | Q | 28.4 | Very low | 29.3 | Very low | 149 Ų | 149 | 108.9 Ų | 108.9 | 70% | 0.696 | 66% | 0.656 | S | S | * | * | trans | -141 | 115.6 | 157.7 | -73.6 | -166.6 | -16.1 | 0 | 0 | 110.5 | N195 | Q193-N195 PolarHBondContact O-N 3.28Š| ||
| 194 | P | 25.5 | Very low | 29.4 | Very low | 123 Ų | 123 | 108.4 Ų | 108.4 | 80% | 0.799 | 66% | 0.659 | S | S | * | * | trans | -80.9 | 102.6 | 167 | 32 | -25 | 0 | 0 | 0 | 107.1 | ||||
| 195 | N | 31.4 | Very low | 29.6 | Very low | 145 Ų | 145 | 111.2 Ų | 111.2 | 78% | 0.775 | 68% | 0.675 | S | S | * | * | trans | -94.1 | 100.8 | 165.7 | -85.4 | -22.7 | 0 | 0 | 0 | 108.7 | Q193 | Q193-N195 PolarHBondContact O-N 3.28Š| ||
| 196 | E | 28.5 | Very low | 29.3 | Very low | 181 Ų | 181 | 112.5 Ų | 112.5 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | trans | -58.9 | 141 | 165.9 | -66 | -178.6 | 138.4 | 0 | 0 | 111.7 | ||||
| 197 | A | 26.4 | Very low | 29.1 | Very low | 89 Ų | 89 | 117.6 Ų | 117.6 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | 50.9 | 106.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 198 | I | 27.5 | Very low | 28.9 | Very low | 174 Ų | 174 | 119.1 Ų | 119.1 | 89% | 0.892 | 71% | 0.708 | S | S | * | * | -172.9 | 127.9 | 122.8 | -87.1 | 145.6 | 0 | 0 | 0 | 109 | |||||
| 199 | A | 26.5 | Very low | 28.7 | Very low | 79 Ų | 79 | 120 Ų | 120 | 65% | 0.653 | 73% | 0.73 | S | S | * | * | trans | 82.7 | 77 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | A201 | A199-A201 PolarHBondContact O-N 3.27Š| ||
| 200 | A | 24.4 | Very low | 28.6 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 95% | 0.95 | 73% | 0.727 | S | S | * | * | trans | -58.4 | 96.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 201 | A | 28.2 | Very low | 28.5 | Very low | 86 Ų | 86 | 118.6 Ų | 118.6 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -166.7 | 102.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | A199 | A199-A201 PolarHBondContact O-N 3.27Š| ||
| 202 | S | 35.4 | Very low | 28.4 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | 138.7 | 61.4 | 72 | 170.7 | 0 | 0 | 0 | 0 | 107.6 | A204 | S202-A204 PolarHBondContact O-N 3.44Š| |||
| 203 | C | 31.4 | Very low | 28.3 | Very low | 54 Ų | 54 | 115.3 Ų | 115.3 | 37% | 0.365 | 73% | 0.732 | S | S | . | * | trans | -88.5 | 41 | 149 | -76.2 | 0 | 0 | 0 | 0 | 109.5 | N205 E264 C266 | C203-N205 PolarHBondContact O-N 3.27Å; C203-E264 PolarHBondContact SG-O 3.13Å; C203-C266 WeakPolarHBondContact CB-SG 3.47Å; C203-C266 WeakPolarHBondContact SG-CB 3.45Å; C203-C266 CovalentContact SG-SG 2.07Å; C203-C266 PolarHBondContact SG-SG 3.47Å | ||
| 204 | A | 33.5 | Very low | 28.1 | Very low | 57 Ų | 57 | 116.6 Ų | 116.6 | 47% | 0.471 | 74% | 0.738 | S | S | . | * | trans | -69.2 | 89.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S202 T206 | S202-A204 PolarHBondContact O-N 3.44Å; A204-T206 WeakPolarHBondContact CB-OG1 3.5Å; A204-T206 PolarHBondContact O-N 3.3Å | ||
| 205 | N | 33.9 | Very low | 28.1 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 65% | 0.652 | 74% | 0.735 | S | S | * | * | trans | -68.2 | 65.7 | 137.2 | -74.1 | -8.8 | 0 | 0 | 0 | 106.9 | C203 I207 | C203-N205 PolarHBondContact O-N 3.27Å; N205-I207 VanDerWaalsContact C-N 3.26Å; N205-I207 PolarHBondContact O-N 3.15Å | ||
| 206 | T | 27.8 | Very low | 28 | Very low | 93 Ų | 93 | 114.5 Ų | 114.5 | 57% | 0.571 | 73% | 0.73 | S | S | * | * | trans | -78.1 | 86.4 | 177.9 | -65.8 | 0 | 0 | 0 | 0 | 107.8 | A204 I208 | A204-T206 WeakPolarHBondContact CB-OG1 3.5Å; A204-T206 PolarHBondContact O-N 3.3Å; T206-I208 HydrophobicContact CG2-CB 3.66Å; T206-I208 HydrophobicContact CG2-CD1 3.91Å; T206-I208 HydrophobicContact CG2-CG1 3.67Å; T206-I208 PolarHBondContact O-N 2.95Å; T206-I208 VanDerWaalsContact O-N 3.15Å | ||
| 207 | I | 26.6 | Very low | 28.2 | Very low | 163 Ų | 163 | 113.4 Ų | 113.4 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | trans | -74.3 | 80.2 | 154.5 | -54.6 | 173.2 | 0 | 0 | 0 | 105.7 | N205 | N205-I207 VanDerWaalsContact C-N 3.26Å; N205-I207 PolarHBondContact O-N 3.15Å | ||
| 208 | I | 28.3 | Very low | 28.4 | Very low | 140 Ų | 140 | 111.4 Ų | 111.4 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | trans | -137.6 | 119.9 | 168.5 | -57.9 | 179.1 | 0 | 0 | 0 | 107.8 | T206 A210 | T206-I208 HydrophobicContact CG2-CB 3.66Å; T206-I208 HydrophobicContact CG2-CD1 3.91Å; T206-I208 HydrophobicContact CG2-CG1 3.67Å; T206-I208 PolarHBondContact O-N 2.95Å; T206-I208 VanDerWaalsContact O-N 3.15Å; I208-A210 PolarHBondContact O-N 2.89Å | ||
| 209 | G | 24.1 | Very low | 28.8 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -57.7 | 122.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 210 | A | 27.7 | Very low | 29.4 | Very low | 84 Ų | 84 | 110.6 Ų | 110.6 | 69% | 0.694 | 71% | 0.709 | S | S | * | * | trans | -139.4 | 120.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | I208 V212 | I208-A210 PolarHBondContact O-N 2.89Å; A210-V212 VanDerWaalsContact C-N 3.3Å; A210-V212 PolarHBondContact O-N 3.33Å | ||
| 211 | T | 25.5 | Very low | 30.5 | Very low | 152 Ų | 152 | 109.1 Ų | 109.1 | 93% | 0.933 | 69% | 0.688 | S | S | * | * | trans | -62.8 | 87.1 | 176.2 | 45.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 212 | V | 26.7 | Very low | 31.5 | Very low | 121 Ų | 121 | 105.3 Ų | 105.3 | 73% | 0.733 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -141.5 | 111.9 | 164.4 | 179.6 | 0 | 0 | 0 | 0 | 105.6 | A210 Q214 | A210-V212 VanDerWaalsContact C-N 3.3Å; A210-V212 PolarHBondContact O-N 3.33Å; V212-Q214 PolarHBondContact O-N 3.07Å |
| 213 | S | 26.7 | Very low | 32.4 | Very low | 118 Ų | 118 | 108.4 Ų | 108.4 | 83% | 0.825 | 65% | 0.654 | S | S | * | * | trans | 15.7 | 96.1 | 171.6 | -52.3 | 0 | 0 | 0 | 0 | 116.1 | P215 | S213-P215 WeakPolarHBondContact O-CD 3.36Š| ||
| 214 | Q | 24.6 | Very low | 33.4 | Very low | 175 Ų | 175 | 109.9 Ų | 109.9 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | trans | -45.8 | 122.8 | 176.4 | -64.5 | 178.2 | -20.4 | 0 | 0 | 111.9 | V212 T216 | V212-Q214 PolarHBondContact O-N 3.07Å; Q214-T216 PolarHBondContact O-N 2.75Å | ||
| 215 | P | 25.9 | Very low | 34.5 | Very low | 114 Ų | 114 | 111 Ų | 111 | 74% | 0.74 | 66% | 0.662 | S | S | * | * | trans | -71.9 | 110.2 | 148 | 6.8 | 10.3 | 0 | 0 | 0 | 105.1 | S213 T217 | S213-P215 WeakPolarHBondContact O-CD 3.36Å; P215-T217 PolarHBondContact O-N 3.45Å; P215-T217 VanDerWaalsContact O-N 3.12Å | ||
| 216 | T | 29.3 | Very low | 35.8 | Very low | 110 Ų | 110 | 113.7 Ų | 113.7 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | trans | -46.9 | 123.1 | 177 | 51.8 | 0 | 0 | 0 | 0 | 109.2 | Q214 G218 | Q214-T216 PolarHBondContact O-N 2.75Å; T216-G218 PolarHBondContact O-N 3.22Å | ||
| 217 | T | 31.6 | Very low | 37.5 | Very low | 158 Ų | 158 | 113.8 Ų | 113.8 | 97% | 0.969 | 68% | 0.681 | S | S | * | * | trans | -66.2 | 56.8 | 154.7 | 44.1 | 0 | 0 | 0 | 0 | 108.5 | P215 | P215-T217 PolarHBondContact O-N 3.45Å; P215-T217 VanDerWaalsContact O-N 3.12Å | ||
| 218 | G | 30.8 | Very low | 39.7 | Very low | 47 Ų | 47 | 108.3 Ų | 108.3 | 49% | 0.485 | 67% | 0.665 | S | S | . | * | trans | -93.5 | 128.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | T216 G220 | T216-G218 PolarHBondContact O-N 3.22Å; G218-G220 VanDerWaalsContact C-N 3.32Å; G218-G220 PolarHBondContact O-N 3.22Å | ||
| 219 | K | 36.3 | Very low | 42.3 | Very low | 203 Ų | 203 | 104.1 Ų | 104.1 | 88% | 0.883 | 65% | 0.645 | S | S | * | * | trans | -46.2 | 102.1 | 161.4 | -68.9 | 171.1 | 178.1 | 175 | 0 | 107.2 | T221 | K219-T221 PolarHBondContact O-N 2.83Š| ||
| 220 | G | 39.5 | Very low | 45.2 | Very low | 33 Ų | 33 | 102.2 Ų | 102.2 | 34% | 0.34 | 61% | 0.613 | S | S | . | * | trans | -60 | 102.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G218 A222 | G218-G220 VanDerWaalsContact C-N 3.32Å; G218-G220 PolarHBondContact O-N 3.22Å; G220-A222 PolarHBondContact O-N 3.47Å | ||
| 221 | T | 45.8 | Very low | 47.9 | Very low | 84 Ų | 84 | 101.4 Ų | 101.4 | 52% | 0.515 | 60% | 0.595 | S | S | . | * | trans | -86 | 110.1 | 176.3 | 48.6 | 0 | 0 | 0 | 0 | 107.6 | K219 R223 | K219-T221 PolarHBondContact O-N 2.83Å; T221-R223 PolarHBondContact O-N 2.99Å | ||
| 222 | A | 49.9 | Very low | 50.7 | Low | 6 Ų | 6 | 94.4 Ų | 94.4 | 5% | 0.05 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -57.9 | 129.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | G220 S224 F230 R242 V245 | G220-A222 PolarHBondContact O-N 3.47Å; A222-S224 PolarHBondContact O-N 3.49Å; A222-F230 HydrophobicContact CB-CB 3.83Å; A222-F230 HydrophobicContact CB-CD1 3.82Å; A222-F230 HydrophobicContact CB-CG 4.2Å; A222-R242 HydrophobicContact CB-CG 4.18Å; A222-R242 PolarHBondContact O-NH1 3.43Å; A222-V245 HydrophobicContact CB-CB 4.19Å; A222-V245 HydrophobicContact CB-CG1 3.89Å |
| 223 | R | 53.9 | Low | 53.4 | Low | 160 Ų | 160 | 92.3 Ų | 92.3 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.1 | 175.4 | -65.6 | -177.9 | -155 | 174 | 6.9 | 108.1 | T221 F230 Q231 E233 | T221-R223 PolarHBondContact O-N 2.99Å; R223-F230 WeakPolarHBondContact O-CA 3.41Å; R223-Q231 PolarHBondContact O-N 2.86Å; R223-E233 IonicContact CZ-OE1 2.87Å; R223-E233 IonicContact NE-OE1 2.77Å; R223-E233 PolarHBondContact NE-OE1 3.34Å; R223-E233 IonicContact NH2-OE1 3.65Å; R223-E233 PolarHBondContact NH2-OE1 2.74Å |
| 224 | S | 52.6 | Low | 56.1 | Low | 84 Ų | 84 | 92.8 Ų | 92.8 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 120.3 | 165.7 | -170 | 0 | 0 | 0 | 0 | 106.6 | A222 | A222-S224 PolarHBondContact O-N 3.49Å |
| 225 | I | 57.5 | Low | 59.1 | Low | 82 Ų | 82 | 86.6 Ų | 86.6 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 150.3 | 159.7 | -57.7 | 173 | 0 | 0 | 0 | 105.7 | S227 G228 V229 Q231 | I225-S227 PolarHBondContact O-N 3.04Å; I225-G228 PolarHBondContact O-N 2.87Å; I225-V229 PolarHBondContact N-O 3.49Å; I225-Q231 HydrophobicContact CD1-CB 4.5Å; I225-Q231 VanDerWaalsContact CD1-OE1 3.26Å |
| 226 | D | 59.8 | Low | 62 | Low | 177 Ų | 177 | 88.2 Ų | 88.2 | 95% | 0.947 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 3.9 | -178.5 | -81.2 | -26.7 | 0 | 0 | 0 | 115.8 | ||
| 227 | S | 63.5 | Low | 64.7 | Low | 96 Ų | 96 | 86.8 Ų | 86.8 | 67% | 0.671 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 10.8 | -178.6 | -44 | 0 | 0 | 0 | 0 | 114.3 | I225 V229 | I225-S227 PolarHBondContact O-N 3.04Å; S227-V229 PolarHBondContact O-N 3.41Å |
| 228 | G | 73.8 | Confident | 67.4 | Low | 48 Ų | 48 | 81.5 Ų | 81.5 | 50% | 0.495 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 18.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I225 | I225-G228 PolarHBondContact O-N 2.87Š|
| 229 | V | 83.2 | Confident | 70.1 | Confident | 51 Ų | 51 | 81.2 Ų | 81.2 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.6 | 179.3 | -170.8 | 0 | 0 | 0 | 0 | 109 | I225 S227 A238 | I225-V229 PolarHBondContact N-O 3.49Å; S227-V229 PolarHBondContact O-N 3.41Å; V229-A238 HydrophobicContact CG1-CB 3.64Å |
| 230 | F | 84.3 | Confident | 72.5 | Confident | 43 Ų | 43 | 74.7 Ų | 74.7 | 19% | 0.189 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.7 | 171.5 | -63 | -80.6 | 0 | 0 | 0 | 108.6 | A222 R223 A238 N239 A240 R242 V245 | A222-F230 HydrophobicContact CB-CB 3.83Å; A222-F230 HydrophobicContact CB-CD1 3.82Å; A222-F230 HydrophobicContact CB-CG 4.2Å; R223-F230 WeakPolarHBondContact O-CA 3.41Å; F230-A238 CarbonylContact O-C 3.47Å; F230-A238 VanDerWaalsContact O-CA 3.24Å; F230-A238 WeakPolarHBondContact O-CA 3.33Å; F230-N239 WeakPolarHBondContact CB-O 3.37Å; F230-N239 PolarHBondContact N-O 3.5Å; F230-N239 PolarHBondContact O-N 3.16Å; F230-A240 VanDerWaalsContact CD2-O 3.32Å; F230-A240 WeakPolarHBondContact CD2-O 3.39Å; F230-A240 WeakPolarHBondContact CE2-O 3.32Å; F230-R242 HydrophobicContact CD1-CB 3.94Å; F230-R242 HydrophobicContact CD1-CG 3.96Å; F230-R242 VanDerWaalsContact CD2-CA 3.47Å; F230-R242 HydrophobicContact CD2-CB 3.74Å; F230-R242 HydrophobicContact CE1-CB 3.88Å; F230-R242 HydrophobicContact CE1-CG 4.02Å; F230-R242 HydrophobicContact CE2-CB 3.68Å; F230-R242 HydrophobicContact CG-CB 3.87Å; F230-R242 HydrophobicContact CG-CG 4.27Å; F230-R242 HydrophobicContact CZ-CB 3.75Å; F230-R242 HydrophobicContact CZ-CG 4.38Å; F230-V245 HydrophobicContact CB-CB 4.22Å; F230-V245 HydrophobicContact CB-CG2 3.57Å; F230-V245 VanDerWaalsContact O-CG2 3.22Å; F230-V245 WeakPolarHBondContact O-CG2 3.37Å |
| 231 | Q | 85 | Confident | 74.7 | Confident | 67 Ų | 67 | 78.5 Ų | 78.5 | 31% | 0.313 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 145.9 | 178.2 | -166.5 | 177.6 | -3.4 | 0 | 0 | 111.5 | R223 I225 A238 | R223-Q231 PolarHBondContact O-N 2.86Å; I225-Q231 HydrophobicContact CD1-CB 4.5Å; I225-Q231 VanDerWaalsContact CD1-OE1 3.26Å; Q231-A238 HydrophobicContact CB-CB 4.28Å; Q231-A238 HydrophobicContact CG-CB 4.14Å |
| 232 | C | 85.1 | Confident | 76.6 | Confident | 5 Ų | 5 | 79.1 Ų | 79.1 | 3% | 0.034 | 43% | 0.427 | C | S | . | . | trans | -68 | 141.8 | 168.3 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | F234 C235 Y237 V245 H248 M249 H252 | C232-F234 VanDerWaalsContact C-N 3.35Å; C232-F234 PolarHBondContact SG-N 2.91Å; C232-C235 WeakPolarHBondContact CB-O 3.47Å; C232-C235 VanDerWaalsContact O-O 3.08Å; C232-Y237 VanDerWaalsContact CB-O 3.26Å; C232-Y237 WeakPolarHBondContact CB-O 3.43Å; C232-Y237 PolarHBondContact N-O 3.4Å; C232-V245 HydrophobicContact CB-CG1 4.39Å; C232-H248 PolarHBondContact SG-CD2 3.49Å; C232-H248 PolarHBondContact SG-NE2 2.74Å; C232-M249 HydrophobicContact CB-SD 4.12Å; C232-M249 PolarHBondContact SG-SD 3.28Å; C232-H252 VanDerWaalsContact SG-CD2 3.58Å; C232-H252 PolarHBondContact SG-NE2 3.41Å | ||
| 233 | E | 83.1 | Confident | 78.4 | Confident | 77 Ų | 77 | 85.3 Ų | 85.3 | 36% | 0.36 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -84.3 | -13.6 | 179.6 | -55.2 | -171.6 | 120.8 | 0 | 0 | 113.2 | R223 M249 | R223-E233 IonicContact CZ-OE1 2.87Å; R223-E233 IonicContact NE-OE1 2.77Å; R223-E233 PolarHBondContact NE-OE1 3.34Å; R223-E233 IonicContact NH2-OE1 3.65Å; R223-E233 PolarHBondContact NH2-OE1 2.74Å; E233-M249 HydrophobicContact CB-CE 3.83Å; E233-M249 HydrophobicContact CG-CE 3.76Å |
| 234 | F | 83.5 | Confident | 80 | Confident | 129 Ų | 129 | 78.8 Ų | 78.8 | 57% | 0.566 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -111 | -7.3 | -173.9 | -54.9 | -69.6 | 0 | 0 | 0 | 113.7 | C232 M249 H252 | C232-F234 VanDerWaalsContact C-N 3.35Å; C232-F234 PolarHBondContact SG-N 2.91Å; F234-M249 HydrophobicContact CD2-CE 3.82Å; F234-M249 HydrophobicContact CD2-SD 3.75Å; F234-M249 HydrophobicContact CE2-CE 3.67Å; F234-M249 HydrophobicContact CE2-SD 4.08Å; F234-H252 VanDerWaalsContact CB-CE1 3.44Å; F234-H252 WeakPolarHBondContact CB-CE1 3.49Å; F234-H252 HydrophobicContact CD2-CB 4.15Å; F234-H252 AromaticContact CD2-CD2 3.9Å; F234-H252 AromaticContact CD2-CG 3.94Å |
| 235 | C | 86.4 | Confident | 81.5 | Confident | 45 Ų | 45 | 74.8 Ų | 74.8 | 30% | 0.304 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -160.3 | 175.8 | 172.9 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | C232 Y237 H248 H252 | C232-C235 WeakPolarHBondContact CB-O 3.47Å; C232-C235 VanDerWaalsContact O-O 3.08Å; C235-Y237 PolarHBondContact O-N 3.41Å; C235-Y237 VanDerWaalsContact SG-CB 3.55Å; C235-H248 PolarHBondContact SG-CE1 2.88Å; C235-H248 PolarHBondContact SG-NE2 3.38Å; C235-H252 PolarHBondContact SG-NE2 2.84Å; C235-H252 VanDerWaalsContact SG-NE2 3.41Å |
| 236 | D | 87.1 | Confident | 82.7 | Confident | 147 Ų | 147 | 73.6 Ų | 73.6 | 79% | 0.786 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -74.6 | 6 | -176.5 | -52.5 | -40.1 | 0 | 0 | 0 | 114 | A238 | D236-A238 PolarHBondContact O-N 3.19Š|
| 237 | Y | 86.3 | Confident | 83.7 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 32% | 0.318 | 38% | 0.378 | S | S | . | . | trans | -64.4 | 121.4 | 177.6 | -177.1 | -95.4 | 0 | 0 | 0 | 110.8 | C232 C235 N239 V245 H248 | C232-Y237 VanDerWaalsContact CB-O 3.26Å; C232-Y237 WeakPolarHBondContact CB-O 3.43Å; C232-Y237 PolarHBondContact N-O 3.4Å; C235-Y237 PolarHBondContact O-N 3.41Å; C235-Y237 VanDerWaalsContact SG-CB 3.55Å; Y237-N239 HydrophobicContact CE1-CB 4.1Å; Y237-N239 PolarHBondContact OH-ND2 2.93Å; Y237-V245 HydrophobicContact CE1-CG2 4.28Å; Y237-H248 VanDerWaalsContact CB-CE1 3.47Å; Y237-H248 WeakPolarHBondContact CB-CE1 3.27Å; Y237-H248 WeakPolarHBondContact CB-NE2 3.49Å; Y237-H248 HydrophobicContact CD1-CB 3.66Å; Y237-H248 AromaticContact CD1-CD2 3.5Å; Y237-H248 VanDerWaalsContact CD1-CD2 3.5Å; Y237-H248 WeakPolarHBondContact CD1-CD2 3.46Å; Y237-H248 AromaticContact CD1-CG 3.3Å; Y237-H248 AromaticContact CD1-ND1 3.71Å; Y237-H248 HydrophobicContact CE1-CB 3.58Å; Y237-H248 AromaticContact CE1-CG 3.75Å; Y237-H248 HydrophobicContact CG-CB 4.42Å; Y237-H248 AromaticContact CG-CD2 3.86Å; Y237-H248 AromaticContact CG-CE1 3.71Å; Y237-H248 AromaticContact CG-CG 3.68Å; Y237-H248 AromaticContact CG-ND1 3.58Å; Y237-H248 AromaticContact CG-NE2 3.88Å | ||
| 238 | A | 87.2 | Confident | 84.6 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 39% | 0.388 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V229 F230 Q231 D236 | V229-A238 HydrophobicContact CG1-CB 3.64Å; F230-A238 CarbonylContact O-C 3.47Å; F230-A238 VanDerWaalsContact O-CA 3.24Å; F230-A238 WeakPolarHBondContact O-CA 3.33Å; Q231-A238 HydrophobicContact CB-CB 4.28Å; Q231-A238 HydrophobicContact CG-CB 4.14Å; D236-A238 PolarHBondContact O-N 3.19Å |
| 239 | N | 87.9 | Confident | 84.8 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 21% | 0.214 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 143.2 | 178.8 | -159.3 | -69.5 | 0 | 0 | 0 | 111.4 | F230 Y237 K241 L244 V245 | F230-N239 WeakPolarHBondContact CB-O 3.37Å; F230-N239 PolarHBondContact N-O 3.5Å; F230-N239 PolarHBondContact O-N 3.16Å; Y237-N239 HydrophobicContact CE1-CB 4.1Å; Y237-N239 PolarHBondContact OH-ND2 2.93Å; N239-K241 PolarHBondContact O-N 3.46Å; N239-K241 PolarHBondContact OD1-N 3.23Å; N239-L244 HydrophobicContact CB-CB 4.15Å; N239-L244 WeakPolarHBondContact ND2-CD1 3.34Å; N239-L244 WeakPolarHBondContact OD1-CD1 3.33Å; N239-V245 HydrophobicContact CB-CG2 3.84Å |
| 240 | A | 88.1 | Confident | 84.6 | Confident | 66 Ų | 66 | 73.2 Ų | 73.2 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -60.6 | -24.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F230 | F230-A240 VanDerWaalsContact CD2-O 3.32Å; F230-A240 WeakPolarHBondContact CD2-O 3.39Å; F230-A240 WeakPolarHBondContact CE2-O 3.32Å |
| 241 | K | 85.9 | Confident | 84.2 | Confident | 114 Ų | 114 | 74 Ų | 74 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -101.8 | 117.3 | -179.2 | -66.4 | 171.8 | 169.5 | -171.6 | 0 | 111.2 | N239 Y243 L244 V245 | N239-K241 PolarHBondContact O-N 3.46Å; N239-K241 PolarHBondContact OD1-N 3.23Å; K241-Y243 VanDerWaalsContact C-N 3.31Å; K241-Y243 HydrophobicContact CB-CD1 3.94Å; K241-Y243 HydrophobicContact CB-CE1 3.68Å; K241-Y243 HydrophobicContact CD-CE1 3.69Å; K241-Y243 HydrophobicContact CG-CE1 4.06Å; K241-Y243 PolarHBondContact O-N 3.11Å; K241-L244 HydrophobicContact CB-CB 4.37Å; K241-L244 HydrophobicContact CB-CD1 3.96Å; K241-L244 HydrophobicContact CB-CG 3.97Å; K241-L244 HydrophobicContact CD-CD1 4.02Å; K241-L244 WeakPolarHBondContact O-CB 3.35Å; K241-L244 PolarHBondContact O-N 3.11Å; K241-V245 PolarHBondContact O-N 3.29Å |
| 242 | R | 85.6 | Confident | 84 | Confident | 97 Ų | 97 | 74 Ų | 74 | 37% | 0.366 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -52.1 | -44.8 | 179.2 | -172.8 | 178.1 | 178.2 | 84.6 | -3.7 | 113.4 | A222 F230 L244 V245 V246 | A222-R242 HydrophobicContact CB-CG 4.18Å; A222-R242 PolarHBondContact O-NH1 3.43Å; F230-R242 HydrophobicContact CD1-CB 3.94Å; F230-R242 HydrophobicContact CD1-CG 3.96Å; F230-R242 VanDerWaalsContact CD2-CA 3.47Å; F230-R242 HydrophobicContact CD2-CB 3.74Å; F230-R242 HydrophobicContact CE1-CB 3.88Å; F230-R242 HydrophobicContact CE1-CG 4.02Å; F230-R242 HydrophobicContact CE2-CB 3.68Å; F230-R242 HydrophobicContact CG-CB 3.87Å; F230-R242 HydrophobicContact CG-CG 4.27Å; F230-R242 HydrophobicContact CZ-CB 3.75Å; F230-R242 HydrophobicContact CZ-CG 4.38Å; R242-L244 PolarHBondContact O-N 3.43Å; R242-V245 PolarHBondContact O-N 3.3Å; R242-V245 VanDerWaalsContact O-N 3.13Å; R242-V246 HydrophobicContact CG-CG2 4.25Å; R242-V246 WeakPolarHBondContact O-CG2 3.08Å; R242-V246 PolarHBondContact O-N 2.68Å |
| 243 | Y | 86.8 | Confident | 83.6 | Confident | 135 Ų | 135 | 75.5 Ų | 75.5 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.5 | -27.2 | -177.5 | 78.2 | -92.3 | 0 | 0 | 0 | 112.6 | K241 R247 | K241-Y243 VanDerWaalsContact C-N 3.31Å; K241-Y243 HydrophobicContact CB-CD1 3.94Å; K241-Y243 HydrophobicContact CB-CE1 3.68Å; K241-Y243 HydrophobicContact CD-CE1 3.69Å; K241-Y243 HydrophobicContact CG-CE1 4.06Å; K241-Y243 PolarHBondContact O-N 3.11Å; Y243-R247 VanDerWaalsContact O-CB 3.23Å; Y243-R247 WeakPolarHBondContact O-CB 3.47Å; Y243-R247 PolarHBondContact O-N 3.47Å |
| 244 | L | 86.5 | Confident | 83 | Confident | 24 Ų | 24 | 78.6 Ų | 78.6 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 175.2 | -67.8 | -177.5 | 0 | 0 | 0 | 110.9 | N239 K241 R242 R247 H248 | N239-L244 HydrophobicContact CB-CB 4.15Å; N239-L244 WeakPolarHBondContact ND2-CD1 3.34Å; N239-L244 WeakPolarHBondContact OD1-CD1 3.33Å; K241-L244 HydrophobicContact CB-CB 4.37Å; K241-L244 HydrophobicContact CB-CD1 3.96Å; K241-L244 HydrophobicContact CB-CG 3.97Å; K241-L244 HydrophobicContact CD-CD1 4.02Å; K241-L244 WeakPolarHBondContact O-CB 3.35Å; K241-L244 PolarHBondContact O-N 3.11Å; R242-L244 PolarHBondContact O-N 3.43Å; L244-R247 PolarHBondContact O-N 3.24Å; L244-H248 VanDerWaalsContact O-CB 3.28Å; L244-H248 WeakPolarHBondContact O-CB 3.47Å; L244-H248 PolarHBondContact O-N 3.27Å |
| 245 | V | 85.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.7 | -48.1 | 172.7 | -177 | 0 | 0 | 0 | 0 | 111 | A222 F230 C232 Y237 N239 K241 R242 R247 H248 M249 | A222-V245 HydrophobicContact CB-CB 4.19Å; A222-V245 HydrophobicContact CB-CG1 3.89Å; F230-V245 HydrophobicContact CB-CB 4.22Å; F230-V245 HydrophobicContact CB-CG2 3.57Å; F230-V245 VanDerWaalsContact O-CG2 3.22Å; F230-V245 WeakPolarHBondContact O-CG2 3.37Å; C232-V245 HydrophobicContact CB-CG1 4.39Å; Y237-V245 HydrophobicContact CE1-CG2 4.28Å; N239-V245 HydrophobicContact CB-CG2 3.84Å; K241-V245 PolarHBondContact O-N 3.29Å; R242-V245 PolarHBondContact O-N 3.3Å; R242-V245 VanDerWaalsContact O-N 3.13Å; V245-R247 VanDerWaalsContact C-N 3.28Å; V245-R247 PolarHBondContact O-N 2.9Å; V245-H248 CarbonylContact O-C 3.53Å; V245-H248 WeakPolarHBondContact O-CA 3.28Å; V245-H248 WeakPolarHBondContact O-CB 3.45Å; V245-H248 PolarHBondContact O-N 3.4Å; V245-M249 HydrophobicContact CG1-CG 4.44Å; V245-M249 VanDerWaalsContact O-CG 3.3Å; V245-M249 WeakPolarHBondContact O-CG 3.44Å; V245-M249 PolarHBondContact O-N 2.97Å |
| 246 | V | 82.4 | Confident | 82.4 | Confident | 56 Ų | 56 | 82.7 Ų | 82.7 | 34% | 0.339 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.5 | -41 | 177.1 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | R242 M249 K250 | R242-V246 HydrophobicContact CG-CG2 4.25Å; R242-V246 WeakPolarHBondContact O-CG2 3.08Å; R242-V246 PolarHBondContact O-N 2.68Å; V246-M249 WeakPolarHBondContact O-CB 3.43Å; V246-M249 PolarHBondContact O-N 3.47Å; V246-K250 PolarHBondContact O-N 3.37Å |
| 247 | R | 80.7 | Confident | 82.3 | Confident | 156 Ų | 156 | 79.7 Ų | 79.7 | 59% | 0.589 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.8 | -41.4 | 173.4 | -177 | 175.7 | 67.1 | 177 | 7.8 | 111.8 | Y243 L244 V245 M249 K250 | Y243-R247 VanDerWaalsContact O-CB 3.23Å; Y243-R247 WeakPolarHBondContact O-CB 3.47Å; Y243-R247 PolarHBondContact O-N 3.47Å; L244-R247 PolarHBondContact O-N 3.24Å; V245-R247 VanDerWaalsContact C-N 3.28Å; V245-R247 PolarHBondContact O-N 2.9Å; R247-M249 VanDerWaalsContact C-N 3.32Å; R247-K250 WeakPolarHBondContact O-CB 3.35Å; R247-K250 PolarHBondContact O-N 3.37Å |
| 248 | H | 81.6 | Confident | 82.3 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 16% | 0.157 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63 | -36 | 173.8 | 164.5 | 85.8 | 0 | 0 | 0 | 112 | C232 C235 Y237 L244 V245 K250 S251 H252 | C232-H248 PolarHBondContact SG-CD2 3.49Å; C232-H248 PolarHBondContact SG-NE2 2.74Å; C235-H248 PolarHBondContact SG-CE1 2.88Å; C235-H248 PolarHBondContact SG-NE2 3.38Å; Y237-H248 VanDerWaalsContact CB-CE1 3.47Å; Y237-H248 WeakPolarHBondContact CB-CE1 3.27Å; Y237-H248 WeakPolarHBondContact CB-NE2 3.49Å; Y237-H248 HydrophobicContact CD1-CB 3.66Å; Y237-H248 AromaticContact CD1-CD2 3.5Å; Y237-H248 VanDerWaalsContact CD1-CD2 3.5Å; Y237-H248 WeakPolarHBondContact CD1-CD2 3.46Å; Y237-H248 AromaticContact CD1-CG 3.3Å; Y237-H248 AromaticContact CD1-ND1 3.71Å; Y237-H248 HydrophobicContact CE1-CB 3.58Å; Y237-H248 AromaticContact CE1-CG 3.75Å; Y237-H248 HydrophobicContact CG-CB 4.42Å; Y237-H248 AromaticContact CG-CD2 3.86Å; Y237-H248 AromaticContact CG-CE1 3.71Å; Y237-H248 AromaticContact CG-CG 3.68Å; Y237-H248 AromaticContact CG-ND1 3.58Å; Y237-H248 AromaticContact CG-NE2 3.88Å; L244-H248 VanDerWaalsContact O-CB 3.28Å; L244-H248 WeakPolarHBondContact O-CB 3.47Å; L244-H248 PolarHBondContact O-N 3.27Å; V245-H248 CarbonylContact O-C 3.53Å; V245-H248 WeakPolarHBondContact O-CA 3.28Å; V245-H248 WeakPolarHBondContact O-CB 3.45Å; V245-H248 PolarHBondContact O-N 3.4Å; H248-K250 PolarHBondContact O-N 3.45Å; H248-S251 WeakPolarHBondContact O-CA 3.48Å; H248-S251 WeakPolarHBondContact O-CB 3.35Å; H248-S251 PolarHBondContact O-N 3.13Å; H248-S251 PolarHBondContact O-OG 3.43Å; H248-H252 AromaticContact CE1-NE2 3.77Å; H248-H252 AromaticContact NE2-CD2 3.7Å; H248-H252 AromaticContact NE2-NE2 3.12Å; H248-H252 PolarHBondContact NE2-NE2 3.09Å; H248-H252 VanDerWaalsContact NE2-NE2 3.12Å |
| 249 | M | 79.5 | Confident | 82.2 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 11% | 0.113 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.3 | -33.7 | 175.5 | -66.6 | -64.2 | -112 | 0 | 0 | 111.9 | C232 E233 F234 V245 V246 R247 S251 H252 | C232-M249 HydrophobicContact CB-SD 4.12Å; C232-M249 PolarHBondContact SG-SD 3.28Å; E233-M249 HydrophobicContact CB-CE 3.83Å; E233-M249 HydrophobicContact CG-CE 3.76Å; F234-M249 HydrophobicContact CD2-CE 3.82Å; F234-M249 HydrophobicContact CD2-SD 3.75Å; F234-M249 HydrophobicContact CE2-CE 3.67Å; F234-M249 HydrophobicContact CE2-SD 4.08Å; V245-M249 HydrophobicContact CG1-CG 4.44Å; V245-M249 VanDerWaalsContact O-CG 3.3Å; V245-M249 WeakPolarHBondContact O-CG 3.44Å; V245-M249 PolarHBondContact O-N 2.97Å; V246-M249 WeakPolarHBondContact O-CB 3.43Å; V246-M249 PolarHBondContact O-N 3.47Å; R247-M249 VanDerWaalsContact C-N 3.32Å; M249-S251 PolarHBondContact O-N 3.38Å; M249-H252 WeakPolarHBondContact O-CB 3.4Å; M249-H252 PolarHBondContact O-N 3.09Å; M249-H252 VanDerWaalsContact O-N 3.11Å |
| 250 | K | 77.7 | Confident | 82.2 | Confident | 152 Ų | 152 | 81.3 Ų | 81.3 | 66% | 0.661 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.7 | -20.5 | 172.9 | -57.7 | -175 | 179.2 | -171.2 | 0 | 113.1 | V246 R247 H248 S253 | V246-K250 PolarHBondContact O-N 3.37Å; R247-K250 WeakPolarHBondContact O-CB 3.35Å; R247-K250 PolarHBondContact O-N 3.37Å; H248-K250 PolarHBondContact O-N 3.45Å; K250-S253 PolarHBondContact O-N 2.84Å |
| 251 | S | 76.5 | Confident | 82.1 | Confident | 60 Ų | 60 | 82.4 Ų | 82.4 | 42% | 0.42 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.4 | -29.3 | 175.8 | 79.7 | 0 | 0 | 0 | 0 | 113 | H248 M249 S253 K268 | H248-S251 WeakPolarHBondContact O-CA 3.48Å; H248-S251 WeakPolarHBondContact O-CB 3.35Å; H248-S251 PolarHBondContact O-N 3.13Å; H248-S251 PolarHBondContact O-OG 3.43Å; M249-S251 PolarHBondContact O-N 3.38Å; S251-S253 VanDerWaalsContact C-N 3.32Å; S251-K268 PolarHBondContact O-NZ 3.18Å; S251-K268 VanDerWaalsContact O-NZ 3.09Å |
| 252 | H | 80.1 | Confident | 82.1 | Confident | 66 Ų | 66 | 81.2 Ų | 81.2 | 31% | 0.306 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70 | -31.5 | 171.8 | -70.2 | -73.4 | 0 | 0 | 0 | 111.8 | C232 F234 C235 H248 M249 Q254 | C232-H252 VanDerWaalsContact SG-CD2 3.58Å; C232-H252 PolarHBondContact SG-NE2 3.41Å; F234-H252 VanDerWaalsContact CB-CE1 3.44Å; F234-H252 WeakPolarHBondContact CB-CE1 3.49Å; F234-H252 HydrophobicContact CD2-CB 4.15Å; F234-H252 AromaticContact CD2-CD2 3.9Å; F234-H252 AromaticContact CD2-CG 3.94Å; C235-H252 PolarHBondContact SG-NE2 2.84Å; C235-H252 VanDerWaalsContact SG-NE2 3.41Å; H248-H252 AromaticContact CE1-NE2 3.77Å; H248-H252 AromaticContact NE2-CD2 3.7Å; H248-H252 AromaticContact NE2-NE2 3.12Å; H248-H252 PolarHBondContact NE2-NE2 3.09Å; H248-H252 VanDerWaalsContact NE2-NE2 3.12Å; M249-H252 WeakPolarHBondContact O-CB 3.4Å; M249-H252 PolarHBondContact O-N 3.09Å; M249-H252 VanDerWaalsContact O-N 3.11Å; H252-Q254 PolarHBondContact O-N 2.84Å |
| 253 | S | 76.3 | Confident | 82.1 | Confident | 36 Ų | 36 | 78.6 Ų | 78.6 | 25% | 0.252 | 38% | 0.382 | S | S | . | . | trans | -65.3 | 131.2 | 171.1 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | K250 S251 E255 K268 | K250-S253 PolarHBondContact O-N 2.84Å; S251-S253 VanDerWaalsContact C-N 3.32Å; S253-E255 VanDerWaalsContact OG-CB 3.29Å; S253-E255 WeakPolarHBondContact OG-CB 3.12Å; S253-E255 VanDerWaalsContact OG-CD 3.31Å; S253-E255 WeakPolarHBondContact OG-CG 3.41Å; S253-E255 PolarHBondContact OG-N 3.47Å; S253-E255 VanDerWaalsContact OG-N 3.16Å; S253-E255 PolarHBondContact OG-OE1 2.93Å; S253-K268 PolarHBondContact O-NZ 3.11Å | ||
| 254 | Q | 70.8 | Confident | 82.1 | Confident | 142 Ų | 142 | 80.3 Ų | 80.3 | 66% | 0.664 | 39% | 0.394 | S | S | * | . | trans | -83.9 | 3.9 | 171.2 | -62.6 | -61 | -19.2 | 0 | 0 | 112 | H252 R256 | H252-Q254 PolarHBondContact O-N 2.84Å; Q254-R256 PolarHBondContact O-N 3.12Å | ||
| 255 | E | 77.8 | Confident | 82 | Confident | 136 Ų | 136 | 81.4 Ų | 81.4 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | trans | -57.5 | 130.9 | 175.3 | -73.1 | 168.3 | -152.1 | 0 | 0 | 111 | S253 | S253-E255 VanDerWaalsContact OG-CB 3.29Å; S253-E255 WeakPolarHBondContact OG-CB 3.12Å; S253-E255 VanDerWaalsContact OG-CD 3.31Å; S253-E255 WeakPolarHBondContact OG-CG 3.41Å; S253-E255 PolarHBondContact OG-N 3.47Å; S253-E255 VanDerWaalsContact OG-N 3.16Å; S253-E255 PolarHBondContact OG-OE1 2.93Å | ||
| 256 | R | 80.1 | Confident | 82.1 | Confident | 124 Ų | 124 | 82 Ų | 82 | 47% | 0.468 | 41% | 0.408 | S | S | . | . | trans | -128.1 | 74.4 | 178.2 | -71.7 | 166.6 | 175.2 | -142.5 | 11.9 | 108.7 | Q254 F258 C266 F267 K268 | Q254-R256 PolarHBondContact O-N 3.12Å; R256-F258 PolarHBondContact O-N 3.08Å; R256-F258 VanDerWaalsContact O-N 3.17Å; R256-C266 HydrophobicContact CB-CB 3.7Å; R256-C266 WeakPolarHBondContact CD-O 3.23Å; R256-C266 PolarHBondContact NH1-O 2.96Å; R256-F267 CarbonylContact C-O 3.51Å; R256-F267 VanDerWaalsContact CA-O 3.24Å; R256-F267 WeakPolarHBondContact CA-O 3.48Å; R256-K268 HydrophobicContact CG-CG 3.95Å | ||
| 257 | P | 84.8 | Confident | 82.2 | Confident | 84 Ų | 84 | 81.3 Ų | 81.3 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | trans | -63.4 | -25 | -169.7 | -22.7 | 34.6 | 0 | 0 | 0 | 113.7 | K259 | P257-K259 PolarHBondContact O-N 3.11Š| ||
| 258 | F | 86.4 | Confident | 82.2 | Confident | 73 Ų | 73 | 77.8 Ų | 77.8 | 32% | 0.32 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 102.2 | -171.2 | -58.9 | -80.1 | 0 | 0 | 0 | 110.5 | R256 C266 F267 N270 L273 | R256-F258 PolarHBondContact O-N 3.08Å; R256-F258 VanDerWaalsContact O-N 3.17Å; F258-C266 CarbonylContact O-C 3.23Å; F258-C266 WeakPolarHBondContact O-CA 3.35Å; F258-F267 HydrophobicContact CB-CB 4.31Å; F258-F267 PolarHBondContact N-O 2.88Å; F258-F267 PolarHBondContact O-N 2.79Å; F258-N270 HydrophobicContact CD1-CB 3.89Å; F258-N270 HydrophobicContact CE1-CB 3.65Å; F258-N270 HydrophobicContact CG-CB 4.47Å; F258-N270 HydrophobicContact CZ-CB 4.03Å; F258-L273 HydrophobicContact CB-CB 3.89Å; F258-L273 HydrophobicContact CB-CD2 3.79Å; F258-L273 HydrophobicContact CB-CG 4.4Å |
| 259 | K | 85 | Confident | 82.3 | Confident | 118 Ų | 118 | 79.3 Ų | 79.3 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 140.5 | 179.8 | -55.3 | -170.3 | 176 | 176.4 | 0 | 111.1 | P257 L273 | P257-K259 PolarHBondContact O-N 3.11Å; K259-L273 WeakPolarHBondContact O-CD2 3.45Å |
| 260 | C | 87.5 | Confident | 82.7 | Confident | 11 Ų | 11 | 82 Ų | 82 | 7% | 0.074 | 42% | 0.416 | C | S | . | . | trans | -74.2 | 133.6 | 171.1 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | M262 C263 S265 F267 L273 H276 H280 | C260-M262 PolarHBondContact O-N 3.43Å; C260-M262 PolarHBondContact SG-N 3.33Å; C260-M262 VanDerWaalsContact SG-N 3.42Å; C260-C263 WeakPolarHBondContact CB-O 3.47Å; C260-S265 WeakPolarHBondContact CB-O 3.29Å; C260-S265 PolarHBondContact N-O 3.12Å; C260-F267 HydrophobicContact CB-CE2 4.49Å; C260-L273 HydrophobicContact CB-CD1 3.9Å; C260-H276 PolarHBondContact SG-CD2 3.42Å; C260-H276 PolarHBondContact SG-NE2 3.44Å; C260-H276 VanDerWaalsContact SG-NE2 3.37Å; C260-H280 VanDerWaalsContact SG-CD2 3.59Å | ||
| 261 | P | 85.7 | Confident | 83.2 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -73.4 | -15.7 | 175.7 | 28.8 | -34.7 | 0 | 0 | 0 | 113.4 | ||
| 262 | M | 85.9 | Confident | 83.8 | Confident | 88 Ų | 88 | 78.5 Ų | 78.5 | 43% | 0.433 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -108.4 | -11.3 | -173.8 | -69.5 | 177.8 | -87.2 | 0 | 0 | 113.9 | C260 V277 H280 T281 | C260-M262 PolarHBondContact O-N 3.43Å; C260-M262 PolarHBondContact SG-N 3.33Å; C260-M262 VanDerWaalsContact SG-N 3.42Å; M262-V277 HydrophobicContact CE-CB 4.46Å; M262-V277 HydrophobicContact CE-CG1 3.7Å; M262-V277 HydrophobicContact CE-CG2 4.46Å; M262-H280 HydrophobicContact CB-CB 4.46Å; M262-H280 HydrophobicContact CE-CB 3.59Å; M262-H280 HydrophobicContact SD-CB 3.52Å; M262-H280 VanDerWaalsContact SD-CB 3.52Å; M262-T281 HydrophobicContact CE-CG2 4.11Å |
| 263 | C | 86.4 | Confident | 84.3 | Confident | 42 Ų | 42 | 76.2 Ų | 76.2 | 28% | 0.284 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -156.2 | 172.1 | 174.7 | 76.8 | 0 | 0 | 0 | 0 | 111.4 | C260 S265 H276 H280 | C260-C263 WeakPolarHBondContact CB-O 3.47Å; C263-S265 PolarHBondContact O-N 2.85Å; C263-S265 VanDerWaalsContact SG-CB 3.51Å; C263-S265 PolarHBondContact SG-N 3.18Å; C263-S265 PolarHBondContact SG-OG 3.16Å; C263-S265 VanDerWaalsContact SG-OG 3.37Å; C263-H276 VanDerWaalsContact SG-CE1 3.57Å; C263-H276 PolarHBondContact SG-NE2 2.85Å; C263-H280 PolarHBondContact SG-NE2 3.43Å; C263-H280 VanDerWaalsContact SG-NE2 3.4Å |
| 264 | E | 86.8 | Confident | 84.9 | Confident | 171 Ų | 171 | 77.4 Ų | 77.4 | 80% | 0.799 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -75.4 | 15 | -178 | -56.7 | -177.7 | 178 | 0 | 0 | 114.1 | C203 | C203-E264 PolarHBondContact SG-O 3.13Š|
| 265 | S | 83.5 | Confident | 85.8 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 33% | 0.329 | 39% | 0.386 | S | S | . | . | trans | -80.8 | 126.4 | -179.7 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | C260 C263 | C260-S265 WeakPolarHBondContact CB-O 3.29Å; C260-S265 PolarHBondContact N-O 3.12Å; C263-S265 PolarHBondContact O-N 2.85Å; C263-S265 VanDerWaalsContact SG-CB 3.51Å; C263-S265 PolarHBondContact SG-N 3.18Å; C263-S265 PolarHBondContact SG-OG 3.16Å; C263-S265 VanDerWaalsContact SG-OG 3.37Å | ||
| 266 | C | 87.8 | Confident | 86.4 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 8% | 0.081 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.7 | 176.4 | -65 | 0 | 0 | 0 | 0 | 110.8 | C203 R256 F258 | C203-C266 WeakPolarHBondContact CB-SG 3.47Å; C203-C266 WeakPolarHBondContact SG-CB 3.45Å; C203-C266 CovalentContact SG-SG 2.07Å; C203-C266 PolarHBondContact SG-SG 3.47Å; R256-C266 HydrophobicContact CB-CB 3.7Å; R256-C266 WeakPolarHBondContact CD-O 3.23Å; R256-C266 PolarHBondContact NH1-O 2.96Å; F258-C266 CarbonylContact O-C 3.23Å; F258-C266 WeakPolarHBondContact O-CA 3.35Å |
| 267 | F | 84.9 | Confident | 86.7 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 18% | 0.184 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 151.5 | -174.3 | -60.4 | -88.7 | 0 | 0 | 0 | 113.2 | R256 F258 C260 L273 H276 | R256-F267 CarbonylContact C-O 3.51Å; R256-F267 VanDerWaalsContact CA-O 3.24Å; R256-F267 WeakPolarHBondContact CA-O 3.48Å; F258-F267 HydrophobicContact CB-CB 4.31Å; F258-F267 PolarHBondContact N-O 2.88Å; F258-F267 PolarHBondContact O-N 2.79Å; C260-F267 HydrophobicContact CB-CE2 4.49Å; F267-L273 HydrophobicContact CB-CB 4.13Å; F267-L273 HydrophobicContact CD2-CB 3.91Å; F267-L273 HydrophobicContact CD2-CD1 3.74Å; F267-L273 HydrophobicContact CD2-CG 4.45Å; F267-L273 HydrophobicContact CE2-CD1 4.05Å; F267-L273 HydrophobicContact CG-CB 4.17Å; F267-H276 HydrophobicContact CD2-CB 4.5Å; F267-H276 HydrophobicContact CE1-CB 3.69Å; F267-H276 HydrophobicContact CE2-CB 3.65Å; F267-H276 AromaticContact CE2-CD2 3.29Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.42Å; F267-H276 AromaticContact CE2-CG 3.44Å; F267-H276 VanDerWaalsContact CE2-CG 3.44Å; F267-H276 AromaticContact CE2-NE2 3.97Å; F267-H276 HydrophobicContact CZ-CB 3.2Å; F267-H276 AromaticContact CZ-CD2 3.45Å; F267-H276 VanDerWaalsContact CZ-CD2 3.45Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.46Å; F267-H276 AromaticContact CZ-CG 3.08Å; F267-H276 AromaticContact CZ-ND1 3.54Å |
| 268 | K | 81.5 | Confident | 87 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -77.7 | -23.7 | 178.6 | -62 | -163.5 | 178.6 | -158 | 0 | 113.8 | S251 S253 R256 | S251-K268 PolarHBondContact O-NZ 3.18Å; S251-K268 VanDerWaalsContact O-NZ 3.09Å; S253-K268 PolarHBondContact O-NZ 3.11Å; R256-K268 HydrophobicContact CG-CG 3.95Å |
| 269 | T | 83.5 | Confident | 87.1 | Confident | 66 Ų | 66 | 60.1 Ų | 60.1 | 41% | 0.405 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -135.3 | 150.3 | -178.6 | 68.2 | 0 | 0 | 0 | 0 | 110.6 | S271 S272 L273 | T269-S271 VanDerWaalsContact C-N 3.3Å; T269-S271 PolarHBondContact O-N 3.48Å; T269-S272 PolarHBondContact O-N 3.26Å; T269-S272 WeakPolarHBondContact OG1-CB 3.49Å; T269-S272 PolarHBondContact OG1-N 3.29Å; T269-S272 PolarHBondContact OG1-OG 2.8Å; T269-L273 PolarHBondContact O-N 3.37Å; T269-L273 VanDerWaalsContact O-N 3.11Å |
| 270 | N | 87.4 | Confident | 87.2 | Confident | 80 Ų | 80 | 58.2 Ų | 58.2 | 43% | 0.428 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 176.2 | -169.1 | 20.3 | 0 | 0 | 0 | 111.5 | F258 S272 L273 Q274 | F258-N270 HydrophobicContact CD1-CB 3.89Å; F258-N270 HydrophobicContact CE1-CB 3.65Å; F258-N270 HydrophobicContact CG-CB 4.47Å; F258-N270 HydrophobicContact CZ-CB 4.03Å; N270-S272 VanDerWaalsContact C-N 3.3Å; N270-S272 PolarHBondContact O-N 2.88Å; N270-L273 CarbonylContact O-C 3.54Å; N270-L273 WeakPolarHBondContact O-CB 3.45Å; N270-L273 PolarHBondContact O-N 3.2Å; N270-L273 VanDerWaalsContact O-N 3.11Å; N270-Q274 WeakPolarHBondContact O-CG 3.45Å; N270-Q274 PolarHBondContact O-N 3.21Å |
| 271 | S | 88 | Confident | 87.2 | Confident | 84 Ų | 84 | 59.9 Ų | 59.9 | 59% | 0.587 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.2 | -38.1 | 177.1 | -51.1 | 0 | 0 | 0 | 0 | 112.7 | T269 Q274 N275 | T269-S271 VanDerWaalsContact C-N 3.3Å; T269-S271 PolarHBondContact O-N 3.48Å; S271-Q274 PolarHBondContact O-N 3.27Å; S271-N275 WeakPolarHBondContact O-CB 3.4Å; S271-N275 PolarHBondContact O-N 2.74Å; S271-N275 PolarHBondContact O-ND2 2.91Å |
| 272 | S | 89.2 | Confident | 87.3 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 38% | 0.378 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.6 | -38.5 | 174.6 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | T269 N270 H276 | T269-S272 PolarHBondContact O-N 3.26Å; T269-S272 WeakPolarHBondContact OG1-CB 3.49Å; T269-S272 PolarHBondContact OG1-N 3.29Å; T269-S272 PolarHBondContact OG1-OG 2.8Å; N270-S272 VanDerWaalsContact C-N 3.3Å; N270-S272 PolarHBondContact O-N 2.88Å; S272-H276 WeakPolarHBondContact O-CB 3.47Å; S272-H276 PolarHBondContact O-N 3.29Å |
| 273 | L | 90.1 | Very high | 87.3 | Confident | 17 Ų | 17 | 56 Ų | 56 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 172 | 169.9 | 63.1 | 0 | 0 | 0 | 111.1 | F258 K259 C260 F267 T269 N270 N275 H276 V277 | F258-L273 HydrophobicContact CB-CB 3.89Å; F258-L273 HydrophobicContact CB-CD2 3.79Å; F258-L273 HydrophobicContact CB-CG 4.4Å; K259-L273 WeakPolarHBondContact O-CD2 3.45Å; C260-L273 HydrophobicContact CB-CD1 3.9Å; F267-L273 HydrophobicContact CB-CB 4.13Å; F267-L273 HydrophobicContact CD2-CB 3.91Å; F267-L273 HydrophobicContact CD2-CD1 3.74Å; F267-L273 HydrophobicContact CD2-CG 4.45Å; F267-L273 HydrophobicContact CE2-CD1 4.05Å; F267-L273 HydrophobicContact CG-CB 4.17Å; T269-L273 PolarHBondContact O-N 3.37Å; T269-L273 VanDerWaalsContact O-N 3.11Å; N270-L273 CarbonylContact O-C 3.54Å; N270-L273 WeakPolarHBondContact O-CB 3.45Å; N270-L273 PolarHBondContact O-N 3.2Å; N270-L273 VanDerWaalsContact O-N 3.11Å; L273-N275 PolarHBondContact O-N 2.95Å; L273-H276 CarbonylContact O-C 3.51Å; L273-H276 WeakPolarHBondContact O-CA 3.46Å; L273-H276 WeakPolarHBondContact O-CB 3.37Å; L273-H276 PolarHBondContact O-N 3.24Å; L273-H276 VanDerWaalsContact O-N 3.08Å; L273-V277 HydrophobicContact CD1-CG2 3.85Å; L273-V277 HydrophobicContact CG-CG2 4.25Å; L273-V277 WeakPolarHBondContact O-CG2 3.45Å; L273-V277 PolarHBondContact O-N 3.22Å |
| 274 | Q | 89.8 | Confident | 87.5 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 29% | 0.29 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 179.7 | -70.1 | -61.7 | -28 | 0 | 0 | 111.9 | N270 S271 H276 V277 N278 | N270-Q274 WeakPolarHBondContact O-CG 3.45Å; N270-Q274 PolarHBondContact O-N 3.21Å; S271-Q274 PolarHBondContact O-N 3.27Å; Q274-H276 PolarHBondContact O-N 3.32Å; Q274-V277 PolarHBondContact O-N 2.89Å; Q274-V277 VanDerWaalsContact O-N 3.15Å; Q274-N278 VanDerWaalsContact O-CG 3.3Å; Q274-N278 PolarHBondContact O-N 2.83Å |
| 275 | N | 89.5 | Confident | 87.6 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 32% | 0.316 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -35.2 | 174.7 | -69.7 | -16.2 | 0 | 0 | 0 | 112.2 | S271 L273 N278 T297 | S271-N275 WeakPolarHBondContact O-CB 3.4Å; S271-N275 PolarHBondContact O-N 2.74Å; S271-N275 PolarHBondContact O-ND2 2.91Å; L273-N275 PolarHBondContact O-N 2.95Å; N275-N278 WeakPolarHBondContact O-CB 3.49Å; N275-T297 HydrophobicContact CB-CG2 3.86Å |
| 276 | H | 89.8 | Confident | 88 | Confident | 33 Ų | 33 | 57 Ų | 57 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.2 | -42.4 | 173.6 | 168.7 | 74.9 | 0 | 0 | 0 | 112.5 | C260 C263 F267 S272 L273 Q274 N278 T279 H280 | C260-H276 PolarHBondContact SG-CD2 3.42Å; C260-H276 PolarHBondContact SG-NE2 3.44Å; C260-H276 VanDerWaalsContact SG-NE2 3.37Å; C263-H276 VanDerWaalsContact SG-CE1 3.57Å; C263-H276 PolarHBondContact SG-NE2 2.85Å; F267-H276 HydrophobicContact CD2-CB 4.5Å; F267-H276 HydrophobicContact CE1-CB 3.69Å; F267-H276 HydrophobicContact CE2-CB 3.65Å; F267-H276 AromaticContact CE2-CD2 3.29Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.42Å; F267-H276 AromaticContact CE2-CG 3.44Å; F267-H276 VanDerWaalsContact CE2-CG 3.44Å; F267-H276 AromaticContact CE2-NE2 3.97Å; F267-H276 HydrophobicContact CZ-CB 3.2Å; F267-H276 AromaticContact CZ-CD2 3.45Å; F267-H276 VanDerWaalsContact CZ-CD2 3.45Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.46Å; F267-H276 AromaticContact CZ-CG 3.08Å; F267-H276 AromaticContact CZ-ND1 3.54Å; S272-H276 WeakPolarHBondContact O-CB 3.47Å; S272-H276 PolarHBondContact O-N 3.29Å; L273-H276 CarbonylContact O-C 3.51Å; L273-H276 WeakPolarHBondContact O-CA 3.46Å; L273-H276 WeakPolarHBondContact O-CB 3.37Å; L273-H276 PolarHBondContact O-N 3.24Å; L273-H276 VanDerWaalsContact O-N 3.08Å; Q274-H276 PolarHBondContact O-N 3.32Å; H276-N278 PolarHBondContact O-N 3.49Å; H276-T279 WeakPolarHBondContact O-CA 3.48Å; H276-T279 VanDerWaalsContact O-CB 3.31Å; H276-T279 WeakPolarHBondContact O-CB 3.44Å; H276-T279 PolarHBondContact O-N 3.35Å; H276-T279 PolarHBondContact O-OG1 3.48Å; H276-H280 AromaticContact CD2-NE2 3.93Å; H276-H280 AromaticContact CE1-NE2 3.43Å; H276-H280 PolarHBondContact CE1-NE2 3.38Å; H276-H280 AromaticContact NE2-CD2 3.68Å; H276-H280 AromaticContact NE2-NE2 3.05Å; H276-H280 PolarHBondContact NE2-NE2 2.98Å |
| 277 | V | 88.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 176.2 | 166.5 | 0 | 0 | 0 | 0 | 111 | M184 M262 L273 Q274 T279 H280 T281 | M184-V277 HydrophobicContact CE-CG1 3.86Å; M262-V277 HydrophobicContact CE-CB 4.46Å; M262-V277 HydrophobicContact CE-CG1 3.7Å; M262-V277 HydrophobicContact CE-CG2 4.46Å; L273-V277 HydrophobicContact CD1-CG2 3.85Å; L273-V277 HydrophobicContact CG-CG2 4.25Å; L273-V277 WeakPolarHBondContact O-CG2 3.45Å; L273-V277 PolarHBondContact O-N 3.22Å; Q274-V277 PolarHBondContact O-N 2.89Å; Q274-V277 VanDerWaalsContact O-N 3.15Å; V277-T279 PolarHBondContact O-N 3Å; V277-T279 VanDerWaalsContact O-N 3.09Å; V277-H280 WeakPolarHBondContact O-CB 3.4Å; V277-H280 PolarHBondContact O-N 3.34Å; V277-T281 HydrophobicContact CG1-CG2 4.22Å; V277-T281 PolarHBondContact O-N 3.46Å; V277-T281 VanDerWaalsContact O-N 3.08Å; V277-T281 PolarHBondContact O-OG1 3.03Å |
| 278 | N | 89.8 | Confident | 88.6 | Confident | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.2 | -26.3 | 171.9 | -71 | -15.1 | 0 | 0 | 0 | 113.4 | Q274 N275 H276 T281 G282 L283 T296 | Q274-N278 VanDerWaalsContact O-CG 3.3Å; Q274-N278 PolarHBondContact O-N 2.83Å; N275-N278 WeakPolarHBondContact O-CB 3.49Å; H276-N278 PolarHBondContact O-N 3.49Å; N278-T281 WeakPolarHBondContact CA-OG1 3.45Å; N278-G282 CarbonylContact O-C 3.45Å; N278-G282 WeakPolarHBondContact O-CA 3.21Å; N278-G282 PolarHBondContact O-N 3.08Å; N278-L283 HydrophobicContact CB-CB 4.37Å; N278-L283 WeakPolarHBondContact CB-O 3.26Å; N278-L283 PolarHBondContact O-N 3.18Å; N278-T296 HydrophobicContact CB-CG2 4.5Å |
| 279 | T | 88.3 | Confident | 89.1 | Confident | 83 Ų | 83 | 67 Ų | 67 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -75.3 | -27.2 | 176.1 | 72.7 | 0 | 0 | 0 | 0 | 113.2 | H276 V277 | H276-T279 WeakPolarHBondContact O-CA 3.48Å; H276-T279 VanDerWaalsContact O-CB 3.31Å; H276-T279 WeakPolarHBondContact O-CB 3.44Å; H276-T279 PolarHBondContact O-N 3.35Å; H276-T279 PolarHBondContact O-OG1 3.48Å; V277-T279 PolarHBondContact O-N 3Å; V277-T279 VanDerWaalsContact O-N 3.09Å |
| 280 | H | 87.5 | Confident | 89.5 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 37% | 0.366 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -80.5 | -42.6 | 173.8 | -66.7 | -62.2 | 0 | 0 | 0 | 111.6 | C260 M262 C263 H276 V277 G282 | C260-H280 VanDerWaalsContact SG-CD2 3.59Å; M262-H280 HydrophobicContact CB-CB 4.46Å; M262-H280 HydrophobicContact CE-CB 3.59Å; M262-H280 HydrophobicContact SD-CB 3.52Å; M262-H280 VanDerWaalsContact SD-CB 3.52Å; C263-H280 PolarHBondContact SG-NE2 3.43Å; C263-H280 VanDerWaalsContact SG-NE2 3.4Å; H276-H280 AromaticContact CD2-NE2 3.93Å; H276-H280 AromaticContact CE1-NE2 3.43Å; H276-H280 PolarHBondContact CE1-NE2 3.38Å; H276-H280 AromaticContact NE2-CD2 3.68Å; H276-H280 AromaticContact NE2-NE2 3.05Å; H276-H280 PolarHBondContact NE2-NE2 2.98Å; V277-H280 WeakPolarHBondContact O-CB 3.4Å; V277-H280 PolarHBondContact O-N 3.34Å; H280-G282 VanDerWaalsContact C-N 3.3Å; H280-G282 PolarHBondContact O-N 3.46Å |
| 281 | T | 87.6 | Confident | 89.7 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -79.9 | -13 | -177.9 | 59 | 0 | 0 | 0 | 0 | 113.4 | M262 V277 N278 L283 | M262-T281 HydrophobicContact CE-CG2 4.11Å; V277-T281 HydrophobicContact CG1-CG2 4.22Å; V277-T281 PolarHBondContact O-N 3.46Å; V277-T281 VanDerWaalsContact O-N 3.08Å; V277-T281 PolarHBondContact O-OG1 3.03Å; N278-T281 WeakPolarHBondContact CA-OG1 3.45Å; T281-L283 PolarHBondContact O-N 3.49Å; T281-L283 WeakPolarHBondContact OG1-CB 3.42Å; T281-L283 VanDerWaalsContact OG1-CG 3.26Å; T281-L283 WeakPolarHBondContact OG1-CG 3.34Å; T281-L283 PolarHBondContact OG1-N 2.98Å |
| 282 | G | 87.6 | Confident | 89.9 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | trans | 72.7 | 4.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | N278 H280 R284 | N278-G282 CarbonylContact O-C 3.45Å; N278-G282 WeakPolarHBondContact O-CA 3.21Å; N278-G282 PolarHBondContact O-N 3.08Å; H280-G282 VanDerWaalsContact C-N 3.3Å; H280-G282 PolarHBondContact O-N 3.46Å; G282-R284 PolarHBondContact O-N 3.15Å | ||
| 283 | L | 87.3 | Confident | 90.1 | Very high | 48 Ų | 48 | 72.8 Ų | 72.8 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | trans | -63.4 | 132.6 | -179.2 | -70.4 | 179.9 | 0 | 0 | 0 | 111.3 | Q91 N278 T281 | Q91-L283 HydrophobicContact CG-CD2 4.12Å; N278-L283 HydrophobicContact CB-CB 4.37Å; N278-L283 WeakPolarHBondContact CB-O 3.26Å; N278-L283 PolarHBondContact O-N 3.18Å; T281-L283 PolarHBondContact O-N 3.49Å; T281-L283 WeakPolarHBondContact OG1-CB 3.42Å; T281-L283 VanDerWaalsContact OG1-CG 3.26Å; T281-L283 WeakPolarHBondContact OG1-CG 3.34Å; T281-L283 PolarHBondContact OG1-N 2.98Å | ||
| 284 | R | 89.7 | Confident | 90.2 | Very high | 142 Ų | 142 | 73.2 Ų | 73.2 | 54% | 0.536 | 38% | 0.384 | S | S | . | . | trans | -129.3 | 77.8 | -178.6 | -72.2 | 166.2 | 177.8 | -80.3 | -6.6 | 109.9 | G282 H286 A294 F295 T296 | G282-R284 PolarHBondContact O-N 3.15Å; R284-H286 PolarHBondContact O-N 3Å; R284-H286 VanDerWaalsContact O-N 3.16Å; R284-A294 HydrophobicContact CB-CB 3.63Å; R284-A294 WeakPolarHBondContact CD-O 3.36Å; R284-A294 PolarHBondContact NH1-O 3.12Å; R284-A294 WeakPolarHBondContact O-CB 3.26Å; R284-F295 CarbonylContact C-O 3.49Å; R284-F295 VanDerWaalsContact C-O 3.23Å; R284-F295 VanDerWaalsContact CA-O 3.32Å; R284-F295 WeakPolarHBondContact CA-O 3.4Å; R284-T296 HydrophobicContact CG-CG2 4.29Å | ||
| 285 | P | 88.8 | Confident | 90.2 | Very high | 77 Ų | 77 | 71.9 Ų | 71.9 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | trans | -66.5 | -18.9 | -171.4 | -21 | 33.6 | 0 | 0 | 0 | 114.4 | F295 | P285-F295 WeakPolarHBondContact CD-O 3.42Š| ||
| 286 | H | 91.9 | Very high | 90.2 | Very high | 62 Ų | 62 | 69.8 Ų | 69.8 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 89.8 | -171.4 | -60.8 | -74.4 | 0 | 0 | 0 | 111.3 | R284 A294 F295 T297 S298 L301 | R284-H286 PolarHBondContact O-N 3Å; R284-H286 VanDerWaalsContact O-N 3.16Å; H286-A294 CarbonylContact O-C 3.57Å; H286-A294 WeakPolarHBondContact O-CA 3.45Å; H286-F295 HydrophobicContact CB-CB 4.38Å; H286-F295 PolarHBondContact N-O 3.28Å; H286-F295 PolarHBondContact O-N 3.17Å; H286-T297 VanDerWaalsContact CD2-CA 3.45Å; H286-T297 WeakPolarHBondContact CD2-CA 3.44Å; H286-S298 PolarHBondContact CD2-N 3.15Å; H286-S298 PolarHBondContact NE2-N 3.29Å; H286-L301 HydrophobicContact CB-CB 4.04Å; H286-L301 HydrophobicContact CB-CD2 3.94Å |
| 287 | Q | 90.9 | Very high | 90.2 | Very high | 134 Ų | 134 | 69.8 Ų | 69.8 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 138.7 | 179.2 | -166 | 177.1 | 14.9 | 0 | 0 | 112.2 | A294 L301 | Q287-A294 HydrophobicContact CB-CB 4.4Å; Q287-L301 WeakPolarHBondContact O-CD2 3.46Å |
| 288 | C | 93.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 72.8 Ų | 72.8 | 3% | 0.034 | 39% | 0.39 | C | S | . | . | trans | -73.7 | 133.2 | 169 | -171 | 0 | 0 | 0 | 0 | 110.4 | L290 C291 L293 L301 H304 H309 | C288-L290 PolarHBondContact O-N 3.41Å; C288-L290 PolarHBondContact SG-N 3Å; C288-C291 WeakPolarHBondContact CB-O 3.37Å; C288-L293 VanDerWaalsContact CB-O 3.28Å; C288-L293 WeakPolarHBondContact CB-O 3.49Å; C288-L293 PolarHBondContact N-O 3.12Å; C288-L301 HydrophobicContact CB-CD1 3.73Å; C288-H304 PolarHBondContact SG-NE2 2.99Å; C288-H304 VanDerWaalsContact SG-NE2 3.37Å; C288-H309 PolarHBondContact SG-NE2 3.17Å; C288-H309 VanDerWaalsContact SG-NE2 3.44Å | ||
| 289 | K | 92.3 | Very high | 90.4 | Very high | 208 Ų | 208 | 74 Ų | 74 | 90% | 0.904 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -79.5 | -7.9 | 176.5 | -63.3 | -175.8 | 178.2 | -177.2 | 0 | 113.3 | ||
| 290 | L | 91.8 | Very high | 90.6 | Very high | 113 Ų | 113 | 72.8 Ų | 72.8 | 59% | 0.592 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -115.4 | -7.9 | -172.9 | -58.5 | 175.5 | 0 | 0 | 0 | 112.9 | C288 H309 | C288-L290 PolarHBondContact O-N 3.41Å; C288-L290 PolarHBondContact SG-N 3Å; L290-H309 VanDerWaalsContact CB-CE1 3.4Å; L290-H309 WeakPolarHBondContact CB-CE1 3.42Å; L290-H309 HydrophobicContact CD1-CB 3.49Å; L290-H309 VanDerWaalsContact CD1-CB 3.49Å; L290-H309 PolarHBondContact O-CE1 3.11Å |
| 291 | C | 93.2 | Very high | 90.8 | Very high | 36 Ų | 36 | 70.6 Ų | 70.6 | 24% | 0.243 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -158.6 | 170.3 | 170.5 | 69 | 0 | 0 | 0 | 0 | 110.7 | C288 L293 H304 H309 | C288-C291 WeakPolarHBondContact CB-O 3.37Å; C291-L293 PolarHBondContact O-N 3.41Å; C291-H304 PolarHBondContact SG-CE1 2.07Å; C291-H304 PolarHBondContact SG-NE2 2.79Å; C291-H309 PolarHBondContact SG-NE2 3.09Å |
| 292 | D | 92.1 | Very high | 91.1 | Very high | 158 Ų | 158 | 72.4 Ų | 72.4 | 85% | 0.845 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -76.5 | 5.2 | -172.4 | -48.9 | -47 | 0 | 0 | 0 | 114.5 | ||
| 293 | L | 92.3 | Very high | 91.3 | Very high | 99 Ų | 99 | 75 Ų | 75 | 52% | 0.518 | 39% | 0.388 | S | S | . | . | trans | -81.9 | 135.1 | -177.9 | -67.9 | 173.6 | 0 | 0 | 0 | 112 | C288 C291 F295 | C288-L293 VanDerWaalsContact CB-O 3.28Å; C288-L293 WeakPolarHBondContact CB-O 3.49Å; C288-L293 PolarHBondContact N-O 3.12Å; C291-L293 PolarHBondContact O-N 3.41Å; L293-F295 HydrophobicContact CB-CE2 4.04Å; L293-F295 HydrophobicContact CB-CZ 3.97Å | ||
| 294 | A | 92 | Very high | 91.6 | Very high | 26 Ų | 26 | 73.7 Ų | 73.7 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 151.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R284 H286 Q287 | R284-A294 HydrophobicContact CB-CB 3.63Å; R284-A294 WeakPolarHBondContact CD-O 3.36Å; R284-A294 PolarHBondContact NH1-O 3.12Å; R284-A294 WeakPolarHBondContact O-CB 3.26Å; H286-A294 CarbonylContact O-C 3.57Å; H286-A294 WeakPolarHBondContact O-CA 3.45Å; Q287-A294 HydrophobicContact CB-CB 4.4Å |
| 295 | F | 91 | Very high | 91.8 | Very high | 33 Ų | 33 | 68.8 Ų | 68.8 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 154.5 | -171.3 | -59.4 | -84.3 | 0 | 0 | 0 | 112.6 | R284 P285 H286 L293 T297 E300 L301 H304 | R284-F295 CarbonylContact C-O 3.49Å; R284-F295 VanDerWaalsContact C-O 3.23Å; R284-F295 VanDerWaalsContact CA-O 3.32Å; R284-F295 WeakPolarHBondContact CA-O 3.4Å; P285-F295 WeakPolarHBondContact CD-O 3.42Å; H286-F295 HydrophobicContact CB-CB 4.38Å; H286-F295 PolarHBondContact N-O 3.28Å; H286-F295 PolarHBondContact O-N 3.17Å; L293-F295 HydrophobicContact CB-CE2 4.04Å; L293-F295 HydrophobicContact CB-CZ 3.97Å; F295-T297 VanDerWaalsContact C-N 3.32Å; F295-E300 HydrophobicContact CB-CB 3.77Å; F295-E300 HydrophobicContact CD1-CB 3.83Å; F295-E300 HydrophobicContact CG-CB 4Å; F295-L301 HydrophobicContact CB-CB 4.31Å; F295-L301 HydrophobicContact CD2-CB 3.85Å; F295-L301 HydrophobicContact CD2-CD1 3.82Å; F295-L301 HydrophobicContact CD2-CG 4.46Å; F295-L301 HydrophobicContact CE2-CD1 4.04Å; F295-L301 HydrophobicContact CG-CB 4.32Å; F295-H304 HydrophobicContact CD2-CB 4.49Å; F295-H304 HydrophobicContact CE1-CB 3.94Å; F295-H304 HydrophobicContact CE2-CB 3.66Å; F295-H304 AromaticContact CE2-CD2 3.54Å; F295-H304 AromaticContact CE2-CG 3.46Å; F295-H304 VanDerWaalsContact CE2-CG 3.46Å; F295-H304 HydrophobicContact CZ-CB 3.35Å; F295-H304 AromaticContact CZ-CD2 3.77Å; F295-H304 AromaticContact CZ-CG 3.21Å; F295-H304 AromaticContact CZ-ND1 3.49Å; F295-H304 WeakPolarHBondContact CZ-ND1 3.1Å |
| 296 | T | 88.3 | Confident | 92.1 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 10% | 0.098 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -75 | -26.5 | -178.9 | 64.1 | 0 | 0 | 0 | 0 | 112.1 | N278 R284 E300 | N278-T296 HydrophobicContact CB-CG2 4.5Å; R284-T296 HydrophobicContact CG-CG2 4.29Å; T296-E300 PolarHBondContact N-OE2 2.83Å; T296-E300 PolarHBondContact OG1-OE2 3.08Å |
| 297 | T | 90 | Very high | 92.1 | Very high | 32 Ų | 32 | 72.2 Ų | 72.2 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -133.2 | 152.4 | -179.7 | 65.7 | 0 | 0 | 0 | 0 | 112 | N275 H286 F295 G299 E300 L301 | N275-T297 HydrophobicContact CB-CG2 3.86Å; H286-T297 VanDerWaalsContact CD2-CA 3.45Å; H286-T297 WeakPolarHBondContact CD2-CA 3.44Å; F295-T297 VanDerWaalsContact C-N 3.32Å; T297-G299 VanDerWaalsContact C-N 3.3Å; T297-G299 PolarHBondContact O-N 3.41Å; T297-E300 PolarHBondContact N-OE2 3.39Å; T297-E300 WeakPolarHBondContact O-CB 3.05Å; T297-E300 PolarHBondContact O-N 3.05Å; T297-E300 VanDerWaalsContact OG1-CG 3.24Å; T297-E300 WeakPolarHBondContact OG1-CG 3.44Å; T297-E300 PolarHBondContact OG1-N 3.21Å; T297-L301 PolarHBondContact O-N 3.34Å |
| 298 | S | 90.8 | Very high | 92.2 | Very high | 66 Ų | 66 | 72.2 Ų | 72.2 | 46% | 0.462 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 176.8 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | H286 E300 L301 I302 | H286-S298 PolarHBondContact CD2-N 3.15Å; H286-S298 PolarHBondContact NE2-N 3.29Å; S298-E300 VanDerWaalsContact C-N 3.33Å; S298-E300 PolarHBondContact O-N 3.22Å; S298-L301 WeakPolarHBondContact O-CB 3.24Å; S298-L301 PolarHBondContact O-N 2.82Å; S298-I302 WeakPolarHBondContact O-CG1 3.47Å; S298-I302 PolarHBondContact O-N 3.18Å |
| 299 | G | 90.5 | Very high | 92.2 | Very high | 42 Ų | 42 | 75.1 Ų | 75.1 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | T297 R303 | T297-G299 VanDerWaalsContact C-N 3.3Å; T297-G299 PolarHBondContact O-N 3.41Å; G299-R303 WeakPolarHBondContact O-CB 3.28Å; G299-R303 PolarHBondContact O-N 3.32Å |
| 300 | E | 92.7 | Very high | 92.2 | Very high | 58 Ų | 58 | 68.9 Ų | 68.9 | 27% | 0.271 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 172.3 | -77.9 | 171.9 | 169.6 | 0 | 0 | 112.1 | F295 T296 T297 S298 R303 H304 | F295-E300 HydrophobicContact CB-CB 3.77Å; F295-E300 HydrophobicContact CD1-CB 3.83Å; F295-E300 HydrophobicContact CG-CB 4Å; T296-E300 PolarHBondContact N-OE2 2.83Å; T296-E300 PolarHBondContact OG1-OE2 3.08Å; T297-E300 PolarHBondContact N-OE2 3.39Å; T297-E300 WeakPolarHBondContact O-CB 3.05Å; T297-E300 PolarHBondContact O-N 3.05Å; T297-E300 VanDerWaalsContact OG1-CG 3.24Å; T297-E300 WeakPolarHBondContact OG1-CG 3.44Å; T297-E300 PolarHBondContact OG1-N 3.21Å; S298-E300 VanDerWaalsContact C-N 3.33Å; S298-E300 PolarHBondContact O-N 3.22Å; E300-R303 PolarHBondContact O-N 3.1Å; E300-H304 WeakPolarHBondContact O-CB 3.44Å; E300-H304 PolarHBondContact O-N 3.15Å |
| 301 | L | 93.1 | Very high | 92.2 | Very high | 33 Ų | 33 | 69.2 Ų | 69.2 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 175.7 | 171.5 | 61.7 | 0 | 0 | 0 | 111.3 | H286 Q287 C288 F295 T297 S298 R303 H304 V305 | H286-L301 HydrophobicContact CB-CB 4.04Å; H286-L301 HydrophobicContact CB-CD2 3.94Å; Q287-L301 WeakPolarHBondContact O-CD2 3.46Å; C288-L301 HydrophobicContact CB-CD1 3.73Å; F295-L301 HydrophobicContact CB-CB 4.31Å; F295-L301 HydrophobicContact CD2-CB 3.85Å; F295-L301 HydrophobicContact CD2-CD1 3.82Å; F295-L301 HydrophobicContact CD2-CG 4.46Å; F295-L301 HydrophobicContact CE2-CD1 4.04Å; F295-L301 HydrophobicContact CG-CB 4.32Å; T297-L301 PolarHBondContact O-N 3.34Å; S298-L301 WeakPolarHBondContact O-CB 3.24Å; S298-L301 PolarHBondContact O-N 2.82Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-R303 PolarHBondContact O-N 3.03Å; L301-H304 WeakPolarHBondContact O-CB 3.25Å; L301-H304 PolarHBondContact O-N 2.97Å; L301-H304 VanDerWaalsContact O-N 3.14Å; L301-V305 HydrophobicContact CD1-CG2 4.03Å; L301-V305 WeakPolarHBondContact O-CG2 3.3Å; L301-V305 PolarHBondContact O-N 2.75Å |
| 302 | I | 92.4 | Very high | 92.1 | Very high | 84 Ų | 84 | 72.1 Ų | 72.1 | 43% | 0.431 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 178.3 | -67.7 | 166.3 | 0 | 0 | 0 | 110.5 | S298 H304 V305 R306 | S298-I302 WeakPolarHBondContact O-CG1 3.47Å; S298-I302 PolarHBondContact O-N 3.18Å; I302-H304 VanDerWaalsContact C-N 3.31Å; I302-H304 PolarHBondContact O-N 3.4Å; I302-V305 PolarHBondContact O-N 2.93Å; I302-R306 WeakPolarHBondContact O-CG 3.37Å; I302-R306 PolarHBondContact O-N 3.32Å |
| 303 | R | 92.5 | Very high | 92.2 | Very high | 104 Ų | 104 | 69.2 Ų | 69.2 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.9 | 179.4 | 174.9 | 57.8 | -159 | -6.9 | 111.8 | G299 E300 L301 Y307 V325 E326 | G299-R303 WeakPolarHBondContact O-CB 3.28Å; G299-R303 PolarHBondContact O-N 3.32Å; E300-R303 PolarHBondContact O-N 3.1Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-R303 PolarHBondContact O-N 3.03Å; R303-Y307 VanDerWaalsContact O-CB 3.31Å; R303-Y307 WeakPolarHBondContact O-CB 3.15Å; R303-Y307 PolarHBondContact O-N 3.37Å; R303-V325 HydrophobicContact CG-CG1 4.04Å; R303-E326 VanDerWaalsContact CD-CG 3.48Å; R303-E326 WeakPolarHBondContact CD-OE2 3.45Å; R303-E326 HydrophobicContact CG-CG 4.17Å; R303-E326 IonicContact CZ-OE2 3.87Å; R303-E326 IonicContact NE-OE2 3.84Å; R303-E326 IonicContact NH1-OE2 3.68Å; R303-E326 PolarHBondContact NH1-OE2 3.2Å |
| 304 | H | 93.5 | Very high | 92.2 | Very high | 20 Ų | 20 | 66.9 Ų | 66.9 | 9% | 0.093 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.3 | 160.7 | 80 | 0 | 0 | 0 | 111.4 | C288 C291 F295 E300 L301 I302 R306 Y307 K308 H309 | C288-H304 PolarHBondContact SG-NE2 2.99Å; C288-H304 VanDerWaalsContact SG-NE2 3.37Å; C291-H304 PolarHBondContact SG-CE1 2.07Å; C291-H304 PolarHBondContact SG-NE2 2.79Å; F295-H304 HydrophobicContact CD2-CB 4.49Å; F295-H304 HydrophobicContact CE1-CB 3.94Å; F295-H304 HydrophobicContact CE2-CB 3.66Å; F295-H304 AromaticContact CE2-CD2 3.54Å; F295-H304 AromaticContact CE2-CG 3.46Å; F295-H304 VanDerWaalsContact CE2-CG 3.46Å; F295-H304 HydrophobicContact CZ-CB 3.35Å; F295-H304 AromaticContact CZ-CD2 3.77Å; F295-H304 AromaticContact CZ-CG 3.21Å; F295-H304 AromaticContact CZ-ND1 3.49Å; F295-H304 WeakPolarHBondContact CZ-ND1 3.1Å; E300-H304 WeakPolarHBondContact O-CB 3.44Å; E300-H304 PolarHBondContact O-N 3.15Å; L301-H304 WeakPolarHBondContact O-CB 3.25Å; L301-H304 PolarHBondContact O-N 2.97Å; L301-H304 VanDerWaalsContact O-N 3.14Å; I302-H304 VanDerWaalsContact C-N 3.31Å; I302-H304 PolarHBondContact O-N 3.4Å; H304-R306 VanDerWaalsContact C-N 3.35Å; H304-R306 PolarHBondContact O-N 2.84Å; H304-Y307 PolarHBondContact O-N 3.22Å; H304-Y307 VanDerWaalsContact O-N 3.15Å; H304-K308 WeakPolarHBondContact O-CB 3.2Å; H304-K308 PolarHBondContact O-N 3.25Å; H304-H309 AromaticContact CE1-NE2 3.93Å; H304-H309 AromaticContact NE2-CD2 3.65Å; H304-H309 AromaticContact NE2-NE2 3.3Å; H304-H309 PolarHBondContact NE2-NE2 2.81Å |
| 305 | V | 93.9 | Very high | 92.3 | Very high | 39 Ų | 39 | 68 Ų | 68 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 111 | L301 I302 Y307 H309 T310 | L301-V305 HydrophobicContact CD1-CG2 4.03Å; L301-V305 WeakPolarHBondContact O-CG2 3.3Å; L301-V305 PolarHBondContact O-N 2.75Å; I302-V305 PolarHBondContact O-N 2.93Å; V305-Y307 VanDerWaalsContact C-N 3.31Å; V305-Y307 PolarHBondContact O-N 2.87Å; V305-H309 HydrophobicContact CG1-CB 4.39Å; V305-H309 WeakPolarHBondContact O-CA 3.34Å; V305-H309 WeakPolarHBondContact O-CB 3.45Å; V305-H309 PolarHBondContact O-N 3.16Å; V305-T310 HydrophobicContact CG1-CG2 4.04Å; V305-T310 PolarHBondContact O-N 3.25Å |
| 306 | R | 94.8 | Very high | 92.4 | Very high | 64 Ų | 64 | 74 Ų | 74 | 24% | 0.242 | 37% | 0.365 | C | S | . | . | I | π-helix | trans | -59.4 | -40.4 | 175.8 | -72.7 | -179.6 | -179.2 | 165.6 | 1.9 | 113 | I302 H304 T310 M311 E312 V325 | I302-R306 WeakPolarHBondContact O-CG 3.37Å; I302-R306 PolarHBondContact O-N 3.32Å; H304-R306 VanDerWaalsContact C-N 3.35Å; H304-R306 PolarHBondContact O-N 2.84Å; R306-T310 WeakPolarHBondContact CA-OG1 3.44Å; R306-M311 CarbonylContact O-C 3.59Å; R306-M311 WeakPolarHBondContact O-CA 3.5Å; R306-M311 PolarHBondContact O-N 2.79Å; R306-E312 HydrophobicContact CG-CB 4.41Å; R306-E312 IonicContact NE-OE2 2.74Å; R306-E312 PolarHBondContact O-N 2.76Å; R306-V325 HydrophobicContact CB-CB 4.5Å; R306-V325 HydrophobicContact CB-CG1 3.48Å; R306-V325 VanDerWaalsContact CB-CG1 3.48Å; R306-V325 HydrophobicContact CB-CG2 4.23Å; R306-V325 HydrophobicContact CG-CG1 4.35Å |
| 307 | Y | 92.6 | Very high | 92.7 | Very high | 146 Ų | 146 | 73.9 Ų | 73.9 | 57% | 0.573 | 37% | 0.365 | S | S | * | . | I | π-helix | trans | -78.2 | -35.8 | -176.8 | -169.5 | -92.9 | 0 | 0 | 0 | 114 | R303 H304 V305 V325 | R303-Y307 VanDerWaalsContact O-CB 3.31Å; R303-Y307 WeakPolarHBondContact O-CB 3.15Å; R303-Y307 PolarHBondContact O-N 3.37Å; H304-Y307 PolarHBondContact O-N 3.22Å; H304-Y307 VanDerWaalsContact O-N 3.15Å; V305-Y307 VanDerWaalsContact C-N 3.31Å; V305-Y307 PolarHBondContact O-N 2.87Å; Y307-V325 HydrophobicContact CD2-CG2 4.16Å |
| 308 | K | 92.9 | Very high | 92.8 | Very high | 135 Ų | 135 | 77 Ų | 77 | 59% | 0.587 | 39% | 0.385 | S | S | * | . | I | π-helix | trans | -106.8 | -31 | -169.8 | -73 | -61.6 | -169.3 | 168.4 | 0 | 114.8 | H304 | H304-K308 WeakPolarHBondContact O-CB 3.2Å; H304-K308 PolarHBondContact O-N 3.25Å |
| 309 | H | 93.3 | Very high | 92.9 | Very high | 66 Ų | 66 | 78.2 Ų | 78.2 | 31% | 0.306 | 39% | 0.389 | S | S | . | . | I | π-helix | trans | -111.7 | -52.1 | -169.8 | -64.1 | -64.8 | 0 | 0 | 0 | 112.2 | C288 L290 C291 H304 V305 | C288-H309 PolarHBondContact SG-NE2 3.17Å; C288-H309 VanDerWaalsContact SG-NE2 3.44Å; L290-H309 VanDerWaalsContact CB-CE1 3.4Å; L290-H309 WeakPolarHBondContact CB-CE1 3.42Å; L290-H309 HydrophobicContact CD1-CB 3.49Å; L290-H309 VanDerWaalsContact CD1-CB 3.49Å; L290-H309 PolarHBondContact O-CE1 3.11Å; C291-H309 PolarHBondContact SG-NE2 3.09Å; H304-H309 AromaticContact CE1-NE2 3.93Å; H304-H309 AromaticContact NE2-CD2 3.65Å; H304-H309 AromaticContact NE2-NE2 3.3Å; H304-H309 PolarHBondContact NE2-NE2 2.81Å; V305-H309 HydrophobicContact CG1-CB 4.39Å; V305-H309 WeakPolarHBondContact O-CA 3.34Å; V305-H309 WeakPolarHBondContact O-CB 3.45Å; V305-H309 PolarHBondContact O-N 3.16Å |
| 310 | T | 93.3 | Very high | 93.1 | Very high | 76 Ų | 76 | 78.3 Ų | 78.3 | 47% | 0.466 | 38% | 0.382 | S | S | . | . | I | π-helix | trans | -90.5 | -18.7 | -176.7 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | V305 R306 E312 | V305-T310 HydrophobicContact CG1-CG2 4.04Å; V305-T310 PolarHBondContact O-N 3.25Å; R306-T310 WeakPolarHBondContact CA-OG1 3.44Å; T310-E312 PolarHBondContact O-N 3.22Å; T310-E312 WeakPolarHBondContact OG1-CB 3.44Å; T310-E312 PolarHBondContact OG1-N 3.47Å |
| 311 | M | 91.8 | Very high | 93.2 | Very high | 121 Ų | 121 | 83.3 Ų | 83.3 | 60% | 0.596 | 41% | 0.411 | S | S | * | . | trans | 55.4 | 19.1 | -172.6 | -59.5 | -63.6 | -72.3 | 0 | 0 | 113.6 | R306 K313 | R306-M311 CarbonylContact O-C 3.59Å; R306-M311 WeakPolarHBondContact O-CA 3.5Å; R306-M311 PolarHBondContact O-N 2.79Å; M311-K313 PolarHBondContact O-N 2.61Å | ||
| 312 | E | 91.3 | Very high | 93.2 | Very high | 96 Ų | 96 | 86 Ų | 86 | 45% | 0.449 | 42% | 0.419 | S | S | . | . | trans | -70.6 | 126.5 | -178.4 | -170 | -164.6 | 168.1 | 0 | 0 | 109.9 | R306 T310 P314 V325 | R306-E312 HydrophobicContact CG-CB 4.41Å; R306-E312 IonicContact NE-OE2 2.74Å; R306-E312 PolarHBondContact O-N 2.76Å; T310-E312 PolarHBondContact O-N 3.22Å; T310-E312 WeakPolarHBondContact OG1-CB 3.44Å; T310-E312 PolarHBondContact OG1-N 3.47Å; E312-P314 HydrophobicContact CG-CG 4.26Å; E312-P314 WeakPolarHBondContact O-CD 3.34Å; E312-V325 WeakPolarHBondContact O-CG2 3.33Å | ||
| 313 | K | 93.2 | Very high | 93.3 | Very high | 97 Ų | 97 | 83 Ų | 83 | 42% | 0.422 | 41% | 0.407 | S | S | . | . | trans | -123.6 | 82.6 | -179.3 | -70.1 | 167.4 | 175.3 | -176.7 | 0 | 109.5 | M311 H315 A323 S324 V325 | M311-K313 PolarHBondContact O-N 2.61Å; K313-H315 PolarHBondContact O-N 3.32Å; K313-A323 HydrophobicContact CB-CB 3.63Å; K313-A323 HydrophobicContact CD-CB 4.16Å; K313-A323 WeakPolarHBondContact CD-O 3.22Å; K313-S324 CarbonylContact C-O 3.55Å; K313-S324 WeakPolarHBondContact CA-O 3.24Å; K313-V325 HydrophobicContact CG-CG2 4.24Å | ||
| 314 | P | 92 | Very high | 93.4 | Very high | 51 Ų | 51 | 78.6 Ų | 78.6 | 33% | 0.331 | 39% | 0.392 | S | S | . | . | trans | -62.1 | -30.2 | -172.8 | -24.1 | 34.9 | 0 | 0 | 0 | 113.3 | E312 K316 | E312-P314 HydrophobicContact CG-CG 4.26Å; E312-P314 WeakPolarHBondContact O-CD 3.34Å; P314-K316 PolarHBondContact O-N 3.34Å | ||
| 315 | H | 93.8 | Very high | 93.4 | Very high | 49 Ų | 49 | 78.2 Ų | 78.2 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 99 | -173.3 | -53.3 | -62.3 | 0 | 0 | 0 | 110.6 | K313 A323 S324 V325 E326 L327 L330 | K313-H315 PolarHBondContact O-N 3.32Å; H315-A323 CarbonylContact O-C 3.59Å; H315-A323 VanDerWaalsContact O-CA 3.28Å; H315-A323 WeakPolarHBondContact O-CA 3.26Å; H315-S324 WeakPolarHBondContact CB-O 3.28Å; H315-S324 PolarHBondContact N-O 3.43Å; H315-S324 PolarHBondContact O-N 3.28Å; H315-V325 PolarHBondContact CD2-O 3.45Å; H315-V325 VanDerWaalsContact CD2-O 3.31Å; H315-E326 VanDerWaalsContact CD2-C 3.43Å; H315-L327 PolarHBondContact CD2-N 3.31Å; H315-L327 PolarHBondContact NE2-N 3.06Å; H315-L330 HydrophobicContact CB-CB 4.05Å; H315-L330 HydrophobicContact CB-CD2 3.71Å; H315-L330 HydrophobicContact CB-CG 4.46Å |
| 316 | K | 93.8 | Very high | 93.3 | Very high | 158 Ų | 158 | 78.9 Ų | 78.9 | 69% | 0.687 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 142.6 | 179.7 | -61.2 | 177.9 | -177.5 | 174.9 | 0 | 111.1 | P314 A323 L330 | P314-K316 PolarHBondContact O-N 3.34Å; K316-A323 HydrophobicContact CG-CB 4.06Å; K316-L330 WeakPolarHBondContact O-CD2 3.49Å |
| 317 | C | 94.7 | Very high | 93.2 | Very high | 14 Ų | 14 | 77.6 Ų | 77.6 | 10% | 0.095 | 39% | 0.39 | C | S | . | . | trans | -76.3 | 138.4 | 169.4 | -177 | 0 | 0 | 0 | 0 | 109.8 | V319 C320 Y322 L330 H333 H337 | C317-V319 PolarHBondContact SG-N 2.8Å; C317-V319 VanDerWaalsContact SG-N 3.38Å; C317-C320 WeakPolarHBondContact CB-O 3.49Å; C317-C320 VanDerWaalsContact O-O 3.06Å; C317-Y322 VanDerWaalsContact CB-O 3.26Å; C317-Y322 WeakPolarHBondContact CB-O 3.47Å; C317-Y322 PolarHBondContact N-O 3.29Å; C317-L330 HydrophobicContact CB-CD1 3.8Å; C317-H333 PolarHBondContact SG-NE2 3.26Å; C317-H333 VanDerWaalsContact SG-NE2 3.35Å; C317-H337 PolarHBondContact SG-NE2 2.86Å; C317-H337 VanDerWaalsContact SG-NE2 3.42Å | ||
| 318 | T | 92.9 | Very high | 93.1 | Very high | 99 Ų | 99 | 74 Ų | 74 | 61% | 0.607 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -79.5 | -22.4 | 176.5 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | L35 | L35-T318 HydrophobicContact CD1-CG2 4.35Š|
| 319 | V | 92.9 | Very high | 93 | Very high | 90 Ų | 90 | 71 Ų | 71 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -93.5 | -28 | -175.7 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | C317 H337 | C317-V319 PolarHBondContact SG-N 2.8Å; C317-V319 VanDerWaalsContact SG-N 3.38Å; V319-H337 HydrophobicContact CG1-CB 4.29Å |
| 320 | C | 93.8 | Very high | 93.1 | Very high | 45 Ų | 45 | 68.1 Ų | 68.1 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -148.8 | 174.3 | -178.3 | 77.7 | 0 | 0 | 0 | 0 | 112.1 | C317 Y322 H333 H337 | C317-C320 WeakPolarHBondContact CB-O 3.49Å; C317-C320 VanDerWaalsContact O-O 3.06Å; C320-Y322 PolarHBondContact O-N 2.77Å; C320-Y322 VanDerWaalsContact SG-CB 3.53Å; C320-Y322 PolarHBondContact SG-N 2.68Å; C320-H333 PolarHBondContact SG-CE1 3.45Å; C320-H333 PolarHBondContact SG-NE2 3.29Å; C320-H337 PolarHBondContact SG-NE2 3.31Å; C320-H337 VanDerWaalsContact SG-NE2 3.43Å |
| 321 | N | 94.1 | Very high | 93 | Very high | 163 Ų | 163 | 68.8 Ų | 68.8 | 87% | 0.872 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -73 | 10.4 | -177.8 | -62.2 | -41.1 | 0 | 0 | 0 | 114.9 | ||
| 322 | Y | 94.4 | Very high | 92.9 | Very high | 88 Ų | 88 | 67.7 Ų | 67.7 | 35% | 0.345 | 34% | 0.343 | S | S | . | . | trans | -72.7 | 134.3 | 177.8 | -177.9 | -96.7 | 0 | 0 | 0 | 110.9 | C317 C320 L330 H333 | C317-Y322 VanDerWaalsContact CB-O 3.26Å; C317-Y322 WeakPolarHBondContact CB-O 3.47Å; C317-Y322 PolarHBondContact N-O 3.29Å; C320-Y322 PolarHBondContact O-N 2.77Å; C320-Y322 VanDerWaalsContact SG-CB 3.53Å; C320-Y322 PolarHBondContact SG-N 2.68Å; Y322-L330 HydrophobicContact CD1-CD1 4.29Å; Y322-H333 VanDerWaalsContact CB-CE1 3.49Å; Y322-H333 WeakPolarHBondContact CB-CE1 3.43Å; Y322-H333 WeakPolarHBondContact CB-NE2 3.38Å; Y322-H333 HydrophobicContact CD1-CB 3.77Å; Y322-H333 AromaticContact CD1-CD2 3.37Å; Y322-H333 WeakPolarHBondContact CD1-CD2 3.39Å; Y322-H333 AromaticContact CD1-CE1 3.96Å; Y322-H333 AromaticContact CD1-CG 3.29Å; Y322-H333 AromaticContact CD1-ND1 3.69Å; Y322-H333 AromaticContact CD1-NE2 3.79Å; Y322-H333 HydrophobicContact CE1-CB 3.58Å; Y322-H333 AromaticContact CE1-CG 3.65Å; Y322-H333 AromaticContact CG-CD2 3.87Å; Y322-H333 AromaticContact CG-CE1 3.68Å; Y322-H333 AromaticContact CG-CG 3.79Å; Y322-H333 AromaticContact CG-ND1 3.68Å; Y322-H333 AromaticContact CG-NE2 3.8Å | ||
| 323 | A | 94.8 | Very high | 93 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 151.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K313 H315 K316 | K313-A323 HydrophobicContact CB-CB 3.63Å; K313-A323 HydrophobicContact CD-CB 4.16Å; K313-A323 WeakPolarHBondContact CD-O 3.22Å; H315-A323 CarbonylContact O-C 3.59Å; H315-A323 VanDerWaalsContact O-CA 3.28Å; H315-A323 WeakPolarHBondContact O-CA 3.26Å; K316-A323 HydrophobicContact CG-CB 4.06Å |
| 324 | S | 93.2 | Very high | 93 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 155 | -179.6 | -156.4 | 0 | 0 | 0 | 0 | 113.4 | K313 H315 E326 K329 | K313-S324 CarbonylContact C-O 3.55Å; K313-S324 WeakPolarHBondContact CA-O 3.24Å; H315-S324 WeakPolarHBondContact CB-O 3.28Å; H315-S324 PolarHBondContact N-O 3.43Å; H315-S324 PolarHBondContact O-N 3.28Å; S324-E326 VanDerWaalsContact C-N 3.33Å; S324-K329 VanDerWaalsContact OG-CB 3.24Å; S324-K329 WeakPolarHBondContact OG-CB 3.48Å |
| 325 | V | 93.8 | Very high | 93 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -72.2 | -31.1 | 171.2 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | R303 R306 Y307 E312 K313 H315 | R303-V325 HydrophobicContact CG-CG1 4.04Å; R306-V325 HydrophobicContact CB-CB 4.5Å; R306-V325 HydrophobicContact CB-CG1 3.48Å; R306-V325 VanDerWaalsContact CB-CG1 3.48Å; R306-V325 HydrophobicContact CB-CG2 4.23Å; R306-V325 HydrophobicContact CG-CG1 4.35Å; Y307-V325 HydrophobicContact CD2-CG2 4.16Å; E312-V325 WeakPolarHBondContact O-CG2 3.33Å; K313-V325 HydrophobicContact CG-CG2 4.24Å; H315-V325 PolarHBondContact CD2-O 3.45Å; H315-V325 VanDerWaalsContact CD2-O 3.31Å |
| 326 | E | 92.6 | Very high | 92.9 | Very high | 52 Ų | 52 | 63.1 Ų | 63.1 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -115.1 | 131.5 | -174 | -65.3 | -179.2 | -82.8 | 0 | 0 | 111.3 | R303 H315 S324 S328 K329 L330 | R303-E326 VanDerWaalsContact CD-CG 3.48Å; R303-E326 WeakPolarHBondContact CD-OE2 3.45Å; R303-E326 HydrophobicContact CG-CG 4.17Å; R303-E326 IonicContact CZ-OE2 3.87Å; R303-E326 IonicContact NE-OE2 3.84Å; R303-E326 IonicContact NH1-OE2 3.68Å; R303-E326 PolarHBondContact NH1-OE2 3.2Å; H315-E326 VanDerWaalsContact CD2-C 3.43Å; S324-E326 VanDerWaalsContact C-N 3.33Å; E326-S328 VanDerWaalsContact C-N 3.27Å; E326-S328 PolarHBondContact O-N 3.47Å; E326-K329 HydrophobicContact CB-CB 4.32Å; E326-K329 HydrophobicContact CB-CG 3.73Å; E326-K329 HydrophobicContact CG-CG 4.47Å; E326-K329 WeakPolarHBondContact O-CB 3.45Å; E326-K329 PolarHBondContact O-N 3.17Å; E326-K329 VanDerWaalsContact O-N 3.1Å; E326-K329 WeakPolarHBondContact OE1-CE 3.17Å; E326-L330 PolarHBondContact O-N 3.37Å |
| 327 | L | 91.7 | Very high | 92.8 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.199 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.5 | -37.8 | 177.2 | -173.5 | 61.4 | 0 | 0 | 0 | 112.8 | L31 H315 K329 L330 R331 | L31-L327 HydrophobicContact CD1-CD1 3.76Å; H315-L327 PolarHBondContact CD2-N 3.31Å; H315-L327 PolarHBondContact NE2-N 3.06Å; L327-K329 VanDerWaalsContact C-N 3.25Å; L327-K329 PolarHBondContact O-N 3.23Å; L327-L330 PolarHBondContact O-N 2.98Å; L327-R331 PolarHBondContact O-N 2.92Å |
| 328 | S | 90.3 | Very high | 92.7 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.6 | -33.8 | 178.2 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | E326 R332 | E326-S328 VanDerWaalsContact C-N 3.27Å; E326-S328 PolarHBondContact O-N 3.47Å; S328-R332 WeakPolarHBondContact O-CB 3.4Å; S328-R332 PolarHBondContact O-N 3.05Å |
| 329 | K | 92.2 | Very high | 92.6 | Very high | 70 Ų | 70 | 58.8 Ų | 58.8 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.7 | -39 | 176.6 | -57.6 | -68.3 | 178.8 | -172.1 | 0 | 110.8 | S324 E326 L327 R332 H333 | S324-K329 VanDerWaalsContact OG-CB 3.24Å; S324-K329 WeakPolarHBondContact OG-CB 3.48Å; E326-K329 HydrophobicContact CB-CB 4.32Å; E326-K329 HydrophobicContact CB-CG 3.73Å; E326-K329 HydrophobicContact CG-CG 4.47Å; E326-K329 WeakPolarHBondContact O-CB 3.45Å; E326-K329 PolarHBondContact O-N 3.17Å; E326-K329 VanDerWaalsContact O-N 3.1Å; E326-K329 WeakPolarHBondContact OE1-CE 3.17Å; L327-K329 VanDerWaalsContact C-N 3.25Å; L327-K329 PolarHBondContact O-N 3.23Å; K329-R332 PolarHBondContact O-N 3.37Å; K329-H333 WeakPolarHBondContact O-CB 3.46Å; K329-H333 PolarHBondContact O-N 2.85Å |
| 330 | L | 93.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 172.1 | 179 | 64.1 | 0 | 0 | 0 | 111.1 | H315 K316 C317 Y322 E326 L327 R332 H333 I334 | H315-L330 HydrophobicContact CB-CB 4.05Å; H315-L330 HydrophobicContact CB-CD2 3.71Å; H315-L330 HydrophobicContact CB-CG 4.46Å; K316-L330 WeakPolarHBondContact O-CD2 3.49Å; C317-L330 HydrophobicContact CB-CD1 3.8Å; Y322-L330 HydrophobicContact CD1-CD1 4.29Å; E326-L330 PolarHBondContact O-N 3.37Å; L327-L330 PolarHBondContact O-N 2.98Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 3.4Å; L330-H333 CarbonylContact O-C 3.31Å; L330-H333 WeakPolarHBondContact O-CA 3.29Å; L330-H333 WeakPolarHBondContact O-CB 3.29Å; L330-H333 PolarHBondContact O-N 2.59Å; L330-I334 HydrophobicContact CD1-CD1 4.4Å; L330-I334 HydrophobicContact CD1-CG1 4.34Å; L330-I334 HydrophobicContact CG-CD1 4.02Å; L330-I334 HydrophobicContact CG-CG1 4.42Å; L330-I334 WeakPolarHBondContact O-CG1 3.24Å; L330-I334 PolarHBondContact O-N 3.37Å |
| 331 | R | 91.5 | Very high | 92.5 | Very high | 90 Ų | 90 | 62.7 Ų | 62.7 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.1 | -46.1 | 175.7 | -76.3 | -179.3 | 177.6 | -178 | -2.1 | 111.9 | L31 L327 H333 I334 R335 | L31-R331 HydrophobicContact CD2-CG 3.97Å; L327-R331 PolarHBondContact O-N 2.92Å; R331-H333 VanDerWaalsContact C-N 3.31Å; R331-H333 PolarHBondContact O-N 3.46Å; R331-I334 PolarHBondContact O-N 3.09Å; R331-R335 PolarHBondContact O-N 2.77Å |
| 332 | R | 90.2 | Very high | 92.4 | Very high | 97 Ų | 97 | 57.6 Ų | 57.6 | 37% | 0.366 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 175 | -177.3 | 178.8 | 62 | 170.2 | 2.3 | 112.6 | S328 K329 L330 D354 | S328-R332 WeakPolarHBondContact O-CB 3.4Å; S328-R332 PolarHBondContact O-N 3.05Å; K329-R332 PolarHBondContact O-N 3.37Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 3.4Å; R332-D354 WeakPolarHBondContact CD-OD2 3.45Å; R332-D354 IonicContact CZ-OD2 3.83Å; R332-D354 IonicContact NE-OD2 3.38Å; R332-D354 IonicContact NH1-OD2 3Å; R332-D354 PolarHBondContact NH1-OD2 3.42Å |
| 333 | H | 93.1 | Very high | 92.3 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 15% | 0.153 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67 | -42.3 | 175.4 | 165.3 | 75.6 | 0 | 0 | 0 | 111.6 | C317 C320 Y322 K329 L330 R331 R335 S336 H337 | C317-H333 PolarHBondContact SG-NE2 3.26Å; C317-H333 VanDerWaalsContact SG-NE2 3.35Å; C320-H333 PolarHBondContact SG-CE1 3.45Å; C320-H333 PolarHBondContact SG-NE2 3.29Å; Y322-H333 VanDerWaalsContact CB-CE1 3.49Å; Y322-H333 WeakPolarHBondContact CB-CE1 3.43Å; Y322-H333 WeakPolarHBondContact CB-NE2 3.38Å; Y322-H333 HydrophobicContact CD1-CB 3.77Å; Y322-H333 AromaticContact CD1-CD2 3.37Å; Y322-H333 WeakPolarHBondContact CD1-CD2 3.39Å; Y322-H333 AromaticContact CD1-CE1 3.96Å; Y322-H333 AromaticContact CD1-CG 3.29Å; Y322-H333 AromaticContact CD1-ND1 3.69Å; Y322-H333 AromaticContact CD1-NE2 3.79Å; Y322-H333 HydrophobicContact CE1-CB 3.58Å; Y322-H333 AromaticContact CE1-CG 3.65Å; Y322-H333 AromaticContact CG-CD2 3.87Å; Y322-H333 AromaticContact CG-CE1 3.68Å; Y322-H333 AromaticContact CG-CG 3.79Å; Y322-H333 AromaticContact CG-ND1 3.68Å; Y322-H333 AromaticContact CG-NE2 3.8Å; K329-H333 WeakPolarHBondContact O-CB 3.46Å; K329-H333 PolarHBondContact O-N 2.85Å; L330-H333 CarbonylContact O-C 3.31Å; L330-H333 WeakPolarHBondContact O-CA 3.29Å; L330-H333 WeakPolarHBondContact O-CB 3.29Å; L330-H333 PolarHBondContact O-N 2.59Å; R331-H333 VanDerWaalsContact C-N 3.31Å; R331-H333 PolarHBondContact O-N 3.46Å; H333-R335 PolarHBondContact O-N 3.5Å; H333-R335 VanDerWaalsContact O-N 3.11Å; H333-S336 WeakPolarHBondContact O-CB 3.38Å; H333-S336 PolarHBondContact O-N 2.91Å; H333-S336 PolarHBondContact O-OG 3.47Å; H333-H337 AromaticContact CD2-NE2 3.93Å; H333-H337 AromaticContact CE1-NE2 3.46Å; H333-H337 PolarHBondContact CE1-NE2 3.21Å; H333-H337 AromaticContact NE2-CD2 3.77Å; H333-H337 AromaticContact NE2-CE1 3.97Å; H333-H337 AromaticContact NE2-NE2 3Å; H333-H337 PolarHBondContact NE2-NE2 3.01Å |
| 334 | I | 92.8 | Very high | 92.2 | Very high | 25 Ų | 25 | 65.6 Ų | 65.6 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.2 | -32.9 | 178.8 | -69.2 | 166 | 0 | 0 | 0 | 111.6 | L31 L330 R331 S336 H337 T338 | L31-I334 HydrophobicContact CD2-CD1 4.31Å; L330-I334 HydrophobicContact CD1-CD1 4.4Å; L330-I334 HydrophobicContact CD1-CG1 4.34Å; L330-I334 HydrophobicContact CG-CD1 4.02Å; L330-I334 HydrophobicContact CG-CG1 4.42Å; L330-I334 WeakPolarHBondContact O-CG1 3.24Å; L330-I334 PolarHBondContact O-N 3.37Å; R331-I334 PolarHBondContact O-N 3.09Å; I334-S336 PolarHBondContact O-N 3.13Å; I334-S336 VanDerWaalsContact O-N 3.09Å; I334-H337 WeakPolarHBondContact O-CB 3.24Å; I334-H337 PolarHBondContact O-N 3.01Å; I334-T338 HydrophobicContact CG2-CG2 4.11Å; I334-T338 PolarHBondContact O-N 3.49Å; I334-T338 VanDerWaalsContact O-N 3.15Å |
| 335 | R | 92.7 | Very high | 92.3 | Very high | 56 Ų | 56 | 65.5 Ų | 65.5 | 21% | 0.211 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.3 | -19.6 | 173.4 | -61 | -172.4 | -176.1 | 134.8 | 6.6 | 114.8 | R331 H333 H337 T338 G339 E340 P353 | R331-R335 PolarHBondContact O-N 2.77Å; H333-R335 PolarHBondContact O-N 3.5Å; H333-R335 VanDerWaalsContact O-N 3.11Å; R335-H337 VanDerWaalsContact C-N 3.31Å; R335-T338 WeakPolarHBondContact CA-OG1 3.34Å; R335-G339 PolarHBondContact O-N 2.9Å; R335-G339 VanDerWaalsContact O-N 3.13Å; R335-E340 HydrophobicContact CB-CB 4.48Å; R335-E340 HydrophobicContact CG-CB 4.31Å; R335-E340 IonicContact NE-OE2 3.43Å; R335-E340 PolarHBondContact NE-OE2 3.26Å; R335-P353 HydrophobicContact CB-CB 4.03Å; R335-P353 WeakPolarHBondContact CD-O 3.37Å; R335-P353 PolarHBondContact NH1-O 3.44Å |
| 336 | S | 92.1 | Very high | 92.3 | Very high | 83 Ų | 83 | 70.2 Ų | 70.2 | 58% | 0.58 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -74.8 | -23.5 | 172.4 | 70.1 | 0 | 0 | 0 | 0 | 113 | H333 I334 | H333-S336 WeakPolarHBondContact O-CB 3.38Å; H333-S336 PolarHBondContact O-N 2.91Å; H333-S336 PolarHBondContact O-OG 3.47Å; I334-S336 PolarHBondContact O-N 3.13Å; I334-S336 VanDerWaalsContact O-N 3.09Å |
| 337 | H | 91.8 | Very high | 92.2 | Very high | 74 Ų | 74 | 73.5 Ų | 73.5 | 34% | 0.343 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -85.9 | -43.2 | 175.4 | -59.8 | -53.2 | 0 | 0 | 0 | 111.3 | C317 V319 C320 H333 I334 R335 G339 | C317-H337 PolarHBondContact SG-NE2 2.86Å; C317-H337 VanDerWaalsContact SG-NE2 3.42Å; V319-H337 HydrophobicContact CG1-CB 4.29Å; C320-H337 PolarHBondContact SG-NE2 3.31Å; C320-H337 VanDerWaalsContact SG-NE2 3.43Å; H333-H337 AromaticContact CD2-NE2 3.93Å; H333-H337 AromaticContact CE1-NE2 3.46Å; H333-H337 PolarHBondContact CE1-NE2 3.21Å; H333-H337 AromaticContact NE2-CD2 3.77Å; H333-H337 AromaticContact NE2-CE1 3.97Å; H333-H337 AromaticContact NE2-NE2 3Å; H333-H337 PolarHBondContact NE2-NE2 3.01Å; I334-H337 WeakPolarHBondContact O-CB 3.24Å; I334-H337 PolarHBondContact O-N 3.01Å; R335-H337 VanDerWaalsContact C-N 3.31Å; H337-G339 VanDerWaalsContact C-N 3.31Å; H337-G339 PolarHBondContact O-N 3.46Å |
| 338 | T | 92.1 | Very high | 92.3 | Very high | 59 Ų | 59 | 74.1 Ų | 74.1 | 36% | 0.362 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -77.6 | -17.1 | -178.6 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | V38 I334 R335 E340 | V38-T338 HydrophobicContact CG2-CG2 4.15Å; I334-T338 HydrophobicContact CG2-CG2 4.11Å; I334-T338 PolarHBondContact O-N 3.49Å; I334-T338 VanDerWaalsContact O-N 3.15Å; R335-T338 WeakPolarHBondContact CA-OG1 3.34Å; T338-E340 PolarHBondContact O-N 3.02Å; T338-E340 WeakPolarHBondContact OG1-CB 3.4Å; T338-E340 PolarHBondContact OG1-N 2.83Å |
| 339 | G | 90.5 | Very high | 92.5 | Very high | 48 Ų | 48 | 80.3 Ų | 80.3 | 50% | 0.495 | 39% | 0.394 | S | S | . | . | trans | 72.5 | 5.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R335 H337 R341 | R335-G339 PolarHBondContact O-N 2.9Å; R335-G339 VanDerWaalsContact O-N 3.13Å; H337-G339 VanDerWaalsContact C-N 3.31Å; H337-G339 PolarHBondContact O-N 3.46Å; G339-R341 PolarHBondContact O-N 3.19Å | ||
| 340 | E | 92.5 | Very high | 92.5 | Very high | 82 Ų | 82 | 80.8 Ų | 80.8 | 38% | 0.383 | 39% | 0.394 | S | S | . | . | trans | -61.3 | 127 | -178.1 | -167.1 | -160 | 179.8 | 0 | 0 | 111.3 | R335 T338 P342 | R335-E340 HydrophobicContact CB-CB 4.48Å; R335-E340 HydrophobicContact CG-CB 4.31Å; R335-E340 IonicContact NE-OE2 3.43Å; R335-E340 PolarHBondContact NE-OE2 3.26Å; T338-E340 PolarHBondContact O-N 3.02Å; T338-E340 WeakPolarHBondContact OG1-CB 3.4Å; T338-E340 PolarHBondContact OG1-N 2.83Å; E340-P342 HydrophobicContact CG-CG 3.94Å; E340-P342 WeakPolarHBondContact OE1-CG 3.32Å | ||
| 341 | R | 92.6 | Very high | 92.5 | Very high | 135 Ų | 135 | 81.3 Ų | 81.3 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | trans | -128.4 | 77.5 | 179.6 | -70 | 169.5 | 176 | -126.1 | 12.7 | 110.8 | G339 Y343 A351 S352 | G339-R341 PolarHBondContact O-N 3.19Å; R341-Y343 PolarHBondContact O-N 3.01Å; R341-A351 HydrophobicContact CB-CB 3.62Å; R341-A351 WeakPolarHBondContact CD-O 3.43Å; R341-A351 PolarHBondContact NH1-O 3.35Å; R341-S352 CarbonylContact C-O 3.57Å; R341-S352 WeakPolarHBondContact CA-O 3.49Å | ||
| 342 | P | 90.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 77 Ų | 77 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | trans | -66.2 | -24.9 | -172.5 | -22.2 | 34.5 | 0 | 0 | 0 | 114.1 | E340 | E340-P342 HydrophobicContact CG-CG 3.94Å; E340-P342 WeakPolarHBondContact OE1-CG 3.32Å | ||
| 343 | Y | 93.6 | Very high | 92.4 | Very high | 78 Ų | 78 | 73.4 Ų | 73.4 | 31% | 0.306 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 99.9 | -169.7 | -54.3 | -73.6 | 0 | 0 | 0 | 110.5 | R341 A351 S352 T355 | R341-Y343 PolarHBondContact O-N 3.01Å; Y343-A351 CarbonylContact O-C 3.39Å; Y343-A351 WeakPolarHBondContact O-CA 3.37Å; Y343-S352 WeakPolarHBondContact CB-O 3.35Å; Y343-S352 WeakPolarHBondContact CD2-O 3.31Å; Y343-S352 PolarHBondContact N-O 3.27Å; Y343-S352 VanDerWaalsContact N-O 3.11Å; Y343-S352 PolarHBondContact O-N 3.39Å; Y343-T355 HydrophobicContact CD1-CG2 3.67Å; Y343-T355 HydrophobicContact CD2-CG2 4.33Å; Y343-T355 HydrophobicContact CE1-CG2 3.29Å; Y343-T355 HydrophobicContact CE2-CG2 4.01Å; Y343-T355 HydrophobicContact CG-CG2 4.17Å; Y343-T355 VanDerWaalsContact CZ-CG2 3.47Å |
| 344 | R | 93.3 | Very high | 92.3 | Very high | 198 Ų | 198 | 72.9 Ų | 72.9 | 75% | 0.747 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 144.4 | 179.8 | -64 | -175.4 | 178.5 | 145.1 | -0.3 | 111.9 | A351 L358 | R344-A351 HydrophobicContact CG-CB 4.11Å; R344-L358 WeakPolarHBondContact O-CD2 3.36Å |
| 345 | C | 94.6 | Very high | 92.2 | Very high | 10 Ų | 10 | 75.3 Ų | 75.3 | 7% | 0.068 | 39% | 0.387 | C | S | . | . | trans | -72.2 | 134.1 | 168.9 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | Q347 Y350 L358 H361 H365 | C345-Q347 PolarHBondContact O-N 3.15Å; C345-Q347 PolarHBondContact SG-N 3.38Å; C345-Q347 VanDerWaalsContact SG-N 3.44Å; C345-Y350 VanDerWaalsContact CB-O 3.28Å; C345-Y350 WeakPolarHBondContact CB-O 3.46Å; C345-Y350 PolarHBondContact N-O 2.91Å; C345-L358 HydrophobicContact CB-CD1 4.05Å; C345-H361 PolarHBondContact SG-NE2 3.03Å; C345-H365 PolarHBondContact SG-NE2 2.97Å; C345-H365 VanDerWaalsContact SG-NE2 3.37Å | ||
| 346 | P | 92.6 | Very high | 92.1 | Very high | 112 Ų | 112 | 79 Ų | 79 | 73% | 0.727 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -74.1 | -12.4 | 175.3 | 30 | -34.2 | 0 | 0 | 0 | 113.2 | L362 | P346-L362 HydrophobicContact CG-CD2 4.32Š|
| 347 | Q | 91.9 | Very high | 92.1 | Very high | 122 Ų | 122 | 79.2 Ų | 79.2 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -113.8 | -9.4 | -172.3 | -70.9 | 170.3 | -21.8 | 0 | 0 | 113.9 | C345 H365 | C345-Q347 PolarHBondContact O-N 3.15Å; C345-Q347 PolarHBondContact SG-N 3.38Å; C345-Q347 VanDerWaalsContact SG-N 3.44Å; Q347-H365 PolarHBondContact OE1-CD2 3.14Å |
| 348 | C | 93.7 | Very high | 92.1 | Very high | 51 Ų | 51 | 76.9 Ų | 76.9 | 35% | 0.345 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -158 | 176.8 | 174.4 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | Y350 H361 H365 | C348-Y350 PolarHBondContact O-N 3.43Å; C348-Y350 VanDerWaalsContact O-N 3.12Å; C348-Y350 VanDerWaalsContact SG-CB 3.56Å; C348-H361 VanDerWaalsContact SG-CE1 3.54Å; C348-H361 PolarHBondContact SG-NE2 3.3Å; C348-H365 PolarHBondContact SG-NE2 2.86Å; C348-H365 VanDerWaalsContact SG-NE2 3.39Å |
| 349 | E | 93.6 | Very high | 92.2 | Very high | 200 Ų | 200 | 81 Ų | 81 | 94% | 0.935 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -73.3 | 0.5 | -178.1 | -60.4 | -179.1 | 171.4 | 0 | 0 | 114.3 | A351 | E349-A351 PolarHBondContact O-N 3.27Š|
| 350 | Y | 92.9 | Very high | 92.3 | Very high | 80 Ų | 80 | 82.4 Ų | 82.4 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | trans | -66.3 | 124.3 | -179.2 | -176.9 | -98.6 | 0 | 0 | 0 | 111.7 | C345 C348 H361 | C345-Y350 VanDerWaalsContact CB-O 3.28Å; C345-Y350 WeakPolarHBondContact CB-O 3.46Å; C345-Y350 PolarHBondContact N-O 2.91Å; C348-Y350 PolarHBondContact O-N 3.43Å; C348-Y350 VanDerWaalsContact O-N 3.12Å; C348-Y350 VanDerWaalsContact SG-CB 3.56Å; Y350-H361 VanDerWaalsContact CB-CE1 3.48Å; Y350-H361 WeakPolarHBondContact CB-CE1 3.21Å; Y350-H361 HydrophobicContact CD1-CB 3.88Å; Y350-H361 AromaticContact CD1-CD2 3.5Å; Y350-H361 VanDerWaalsContact CD1-CD2 3.5Å; Y350-H361 WeakPolarHBondContact CD1-CD2 3.45Å; Y350-H361 AromaticContact CD1-CE1 3.76Å; Y350-H361 AromaticContact CD1-CG 3.32Å; Y350-H361 AromaticContact CD1-ND1 3.5Å; Y350-H361 WeakPolarHBondContact CD1-ND1 3.49Å; Y350-H361 AromaticContact CD1-NE2 3.76Å; Y350-H361 HydrophobicContact CE1-CB 3.66Å; Y350-H361 AromaticContact CE1-CG 3.64Å; Y350-H361 AromaticContact CE1-ND1 3.93Å; Y350-H361 AromaticContact CG-CE1 3.61Å; Y350-H361 AromaticContact CG-CG 3.96Å; Y350-H361 AromaticContact CG-ND1 3.65Å; Y350-H361 AromaticContact CG-NE2 3.89Å | ||
| 351 | A | 93.6 | Very high | 92.3 | Very high | 18 Ų | 18 | 79.9 Ų | 79.9 | 15% | 0.149 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 145.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R341 Y343 R344 E349 | R341-A351 HydrophobicContact CB-CB 3.62Å; R341-A351 WeakPolarHBondContact CD-O 3.43Å; R341-A351 PolarHBondContact NH1-O 3.35Å; Y343-A351 CarbonylContact O-C 3.39Å; Y343-A351 WeakPolarHBondContact O-CA 3.37Å; R344-A351 HydrophobicContact CG-CB 4.11Å; E349-A351 PolarHBondContact O-N 3.27Å |
| 352 | S | 89.9 | Confident | 92.4 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.3 | -174.4 | 175.1 | 0 | 0 | 0 | 0 | 112.2 | R341 Y343 D354 K357 | R341-S352 CarbonylContact C-O 3.57Å; R341-S352 WeakPolarHBondContact CA-O 3.49Å; Y343-S352 WeakPolarHBondContact CB-O 3.35Å; Y343-S352 WeakPolarHBondContact CD2-O 3.31Å; Y343-S352 PolarHBondContact N-O 3.27Å; Y343-S352 VanDerWaalsContact N-O 3.11Å; Y343-S352 PolarHBondContact O-N 3.39Å; S352-D354 PolarHBondContact O-N 3.05Å; S352-D354 PolarHBondContact OG-N 3.07Å; S352-D354 VanDerWaalsContact OG-N 3.11Å; S352-D354 PolarHBondContact OG-O 3.26Å; S352-K357 WeakPolarHBondContact OG-CB 3.5Å |
| 353 | P | 90.3 | Very high | 92.5 | Very high | 22 Ų | 22 | 75.4 Ų | 75.4 | 14% | 0.143 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -76.5 | -9.4 | 171.8 | 32.5 | -36.1 | 0 | 0 | 0 | 113.5 | R335 K357 | R335-P353 HydrophobicContact CB-CB 4.03Å; R335-P353 WeakPolarHBondContact CD-O 3.37Å; R335-P353 PolarHBondContact NH1-O 3.44Å; P353-K357 HydrophobicContact CG-CD 4.29Å |
| 354 | D | 89.8 | Confident | 92.4 | Very high | 21 Ų | 21 | 76.7 Ų | 76.7 | 11% | 0.112 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -141.6 | 141.6 | -174.6 | -170.2 | -4.1 | 0 | 0 | 0 | 111.9 | R332 S352 Y356 K357 L358 | R332-D354 WeakPolarHBondContact CD-OD2 3.45Å; R332-D354 IonicContact CZ-OD2 3.83Å; R332-D354 IonicContact NE-OD2 3.38Å; R332-D354 IonicContact NH1-OD2 3Å; R332-D354 PolarHBondContact NH1-OD2 3.42Å; S352-D354 PolarHBondContact O-N 3.05Å; S352-D354 PolarHBondContact OG-N 3.07Å; S352-D354 VanDerWaalsContact OG-N 3.11Å; S352-D354 PolarHBondContact OG-O 3.26Å; D354-Y356 VanDerWaalsContact C-N 3.31Å; D354-Y356 PolarHBondContact O-N 3.43Å; D354-Y356 PolarHBondContact OD1-N 3.19Å; D354-K357 HydrophobicContact CB-CB 4.36Å; D354-K357 HydrophobicContact CB-CD 4.33Å; D354-K357 HydrophobicContact CB-CG 4.31Å; D354-K357 PolarHBondContact O-N 3.46Å; D354-L358 PolarHBondContact O-N 3.49Å; D354-L358 VanDerWaalsContact O-N 3.11Å |
| 355 | T | 91.7 | Very high | 92.4 | Very high | 77 Ų | 77 | 70.9 Ų | 70.9 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -37 | 177 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | Y343 K357 L358 K359 | Y343-T355 HydrophobicContact CD1-CG2 3.67Å; Y343-T355 HydrophobicContact CD2-CG2 4.33Å; Y343-T355 HydrophobicContact CE1-CG2 3.29Å; Y343-T355 HydrophobicContact CE2-CG2 4.01Å; Y343-T355 HydrophobicContact CG-CG2 4.17Å; Y343-T355 VanDerWaalsContact CZ-CG2 3.47Å; T355-K357 VanDerWaalsContact C-N 3.33Å; T355-K357 PolarHBondContact O-N 2.79Å; T355-L358 PolarHBondContact O-N 3.43Å; T355-K359 WeakPolarHBondContact O-CB 3.41Å; T355-K359 PolarHBondContact O-N 3.32Å |
| 356 | Y | 90.3 | Very high | 92.2 | Very high | 134 Ų | 134 | 74.4 Ų | 74.4 | 53% | 0.525 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 178.2 | 176.8 | -99.7 | 0 | 0 | 0 | 111.8 | D354 K359 R360 | D354-Y356 VanDerWaalsContact C-N 3.31Å; D354-Y356 PolarHBondContact O-N 3.43Å; D354-Y356 PolarHBondContact OD1-N 3.19Å; Y356-K359 PolarHBondContact O-N 2.81Å; Y356-R360 WeakPolarHBondContact O-CB 3.46Å; Y356-R360 PolarHBondContact O-N 3.22Å |
| 357 | K | 91.6 | Very high | 92.1 | Very high | 86 Ų | 86 | 71.3 Ų | 71.3 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 177.1 | -75.7 | -178.8 | -177.3 | 179.4 | 0 | 111.1 | S352 P353 D354 T355 R360 H361 | S352-K357 WeakPolarHBondContact OG-CB 3.5Å; P353-K357 HydrophobicContact CG-CD 4.29Å; D354-K357 HydrophobicContact CB-CB 4.36Å; D354-K357 HydrophobicContact CB-CD 4.33Å; D354-K357 HydrophobicContact CB-CG 4.31Å; D354-K357 PolarHBondContact O-N 3.46Å; T355-K357 VanDerWaalsContact C-N 3.33Å; T355-K357 PolarHBondContact O-N 2.79Å; K357-R360 PolarHBondContact O-N 3.42Å; K357-H361 WeakPolarHBondContact O-CB 3.47Å; K357-H361 PolarHBondContact O-N 3.08Å |
| 358 | L | 93.5 | Very high | 92.1 | Very high | 25 Ų | 25 | 70.9 Ų | 70.9 | 13% | 0.131 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.4 | -50.4 | 173.8 | 180 | 61.9 | 0 | 0 | 0 | 111.3 | R344 C345 D354 T355 R360 H361 L362 | R344-L358 WeakPolarHBondContact O-CD2 3.36Å; C345-L358 HydrophobicContact CB-CD1 4.05Å; D354-L358 PolarHBondContact O-N 3.49Å; D354-L358 VanDerWaalsContact O-N 3.11Å; T355-L358 PolarHBondContact O-N 3.43Å; L358-R360 PolarHBondContact O-N 3.48Å; L358-H361 CarbonylContact O-C 3.58Å; L358-H361 WeakPolarHBondContact O-CA 3.43Å; L358-H361 WeakPolarHBondContact O-CB 3.37Å; L358-H361 PolarHBondContact O-N 3.11Å; L358-L362 WeakPolarHBondContact O-CG 3.23Å; L358-L362 PolarHBondContact O-N 3.11Å |
| 359 | K | 93 | Very high | 92 | Very high | 147 Ų | 147 | 74.7 Ų | 74.7 | 64% | 0.639 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56.4 | -39 | 177.7 | -173.2 | 173.4 | -175.5 | 172.7 | 0 | 112.1 | T355 Y356 | T355-K359 WeakPolarHBondContact O-CB 3.41Å; T355-K359 PolarHBondContact O-N 3.32Å; Y356-K359 PolarHBondContact O-N 2.81Å |
| 360 | R | 92.7 | Very high | 91.9 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 29% | 0.287 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 173.5 | -177.7 | -178.4 | 65.5 | 176.2 | -3.7 | 112.2 | Y356 K357 L358 R363 Q382 | Y356-R360 WeakPolarHBondContact O-CB 3.46Å; Y356-R360 PolarHBondContact O-N 3.22Å; K357-R360 PolarHBondContact O-N 3.42Å; L358-R360 PolarHBondContact O-N 3.48Å; R360-R363 WeakPolarHBondContact O-CB 3.31Å; R360-R363 PolarHBondContact O-N 2.77Å; R360-Q382 HydrophobicContact CG-CG 4.39Å |
| 361 | H | 93.6 | Very high | 91.9 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 176.6 | 165.2 | 81.9 | 0 | 0 | 0 | 111.9 | C345 C348 Y350 K357 L358 R363 V364 H365 | C345-H361 PolarHBondContact SG-NE2 3.03Å; C348-H361 VanDerWaalsContact SG-CE1 3.54Å; C348-H361 PolarHBondContact SG-NE2 3.3Å; Y350-H361 VanDerWaalsContact CB-CE1 3.48Å; Y350-H361 WeakPolarHBondContact CB-CE1 3.21Å; Y350-H361 HydrophobicContact CD1-CB 3.88Å; Y350-H361 AromaticContact CD1-CD2 3.5Å; Y350-H361 VanDerWaalsContact CD1-CD2 3.5Å; Y350-H361 WeakPolarHBondContact CD1-CD2 3.45Å; Y350-H361 AromaticContact CD1-CE1 3.76Å; Y350-H361 AromaticContact CD1-CG 3.32Å; Y350-H361 AromaticContact CD1-ND1 3.5Å; Y350-H361 WeakPolarHBondContact CD1-ND1 3.49Å; Y350-H361 AromaticContact CD1-NE2 3.76Å; Y350-H361 HydrophobicContact CE1-CB 3.66Å; Y350-H361 AromaticContact CE1-CG 3.64Å; Y350-H361 AromaticContact CE1-ND1 3.93Å; Y350-H361 AromaticContact CG-CE1 3.61Å; Y350-H361 AromaticContact CG-CG 3.96Å; Y350-H361 AromaticContact CG-ND1 3.65Å; Y350-H361 AromaticContact CG-NE2 3.89Å; K357-H361 WeakPolarHBondContact O-CB 3.47Å; K357-H361 PolarHBondContact O-N 3.08Å; L358-H361 CarbonylContact O-C 3.58Å; L358-H361 WeakPolarHBondContact O-CA 3.43Å; L358-H361 WeakPolarHBondContact O-CB 3.37Å; L358-H361 PolarHBondContact O-N 3.11Å; H361-R363 PolarHBondContact O-N 3.09Å; H361-V364 VanDerWaalsContact O-CB 3.25Å; H361-V364 WeakPolarHBondContact O-CB 3.48Å; H361-V364 WeakPolarHBondContact O-CG2 3.42Å; H361-V364 PolarHBondContact O-N 2.89Å; H361-H365 AromaticContact CE1-NE2 3.97Å; H361-H365 AromaticContact NE2-CD2 3.95Å; H361-H365 AromaticContact NE2-NE2 3.39Å; H361-H365 PolarHBondContact NE2-NE2 3.47Å |
| 362 | L | 93.5 | Very high | 91.8 | Very high | 54 Ų | 54 | 70.3 Ų | 70.3 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.8 | -26.2 | 177.5 | -67.4 | 175.6 | 0 | 0 | 0 | 113.4 | P346 L358 V364 H365 T366 | P346-L362 HydrophobicContact CG-CD2 4.32Å; L358-L362 WeakPolarHBondContact O-CG 3.23Å; L358-L362 PolarHBondContact O-N 3.11Å; L362-V364 PolarHBondContact O-N 3.46Å; L362-H365 PolarHBondContact O-N 3.33Å; L362-T366 PolarHBondContact O-N 3.31Å; L362-T366 VanDerWaalsContact O-N 3.13Å |
| 363 | R | 93.3 | Very high | 91.8 | Very high | 42 Ų | 42 | 70.3 Ų | 70.3 | 16% | 0.158 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -20.8 | 174.2 | -60.7 | -178.8 | -176.7 | 166 | 0.5 | 113.9 | R360 H361 H365 T366 G367 E368 T381 | R360-R363 WeakPolarHBondContact O-CB 3.31Å; R360-R363 PolarHBondContact O-N 2.77Å; H361-R363 PolarHBondContact O-N 3.09Å; R363-H365 VanDerWaalsContact C-N 3.3Å; R363-T366 WeakPolarHBondContact CA-OG1 3.45Å; R363-G367 WeakPolarHBondContact O-CA 3.47Å; R363-G367 PolarHBondContact O-N 3.15Å; R363-E368 HydrophobicContact CB-CB 4.42Å; R363-E368 HydrophobicContact CG-CB 4.31Å; R363-E368 PolarHBondContact O-N 3.01Å; R363-T381 PolarHBondContact NH1-O 3.44Å |
| 364 | V | 92.1 | Very high | 91.8 | Very high | 106 Ų | 106 | 76.3 Ų | 76.3 | 64% | 0.642 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.8 | -37.3 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | H361 L362 | H361-V364 VanDerWaalsContact O-CB 3.25Å; H361-V364 WeakPolarHBondContact O-CB 3.48Å; H361-V364 WeakPolarHBondContact O-CG2 3.42Å; H361-V364 PolarHBondContact O-N 2.89Å; L362-V364 PolarHBondContact O-N 3.46Å |
| 365 | H | 91.9 | Very high | 91.5 | Very high | 76 Ų | 76 | 80.2 Ų | 80.2 | 35% | 0.352 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -82.9 | -38.4 | 179.6 | -61.2 | -65.6 | 0 | 0 | 0 | 112.8 | C345 Q347 C348 H361 L362 R363 G367 | C345-H365 PolarHBondContact SG-NE2 2.97Å; C345-H365 VanDerWaalsContact SG-NE2 3.37Å; Q347-H365 PolarHBondContact OE1-CD2 3.14Å; C348-H365 PolarHBondContact SG-NE2 2.86Å; C348-H365 VanDerWaalsContact SG-NE2 3.39Å; H361-H365 AromaticContact CE1-NE2 3.97Å; H361-H365 AromaticContact NE2-CD2 3.95Å; H361-H365 AromaticContact NE2-NE2 3.39Å; H361-H365 PolarHBondContact NE2-NE2 3.47Å; L362-H365 PolarHBondContact O-N 3.33Å; R363-H365 VanDerWaalsContact C-N 3.3Å; H365-G367 VanDerWaalsContact C-N 3.27Å; H365-G367 PolarHBondContact O-N 2.94Å |
| 366 | T | 91.8 | Very high | 91.4 | Very high | 83 Ų | 83 | 78.6 Ų | 78.6 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -77.4 | -15.2 | 178.3 | 64.1 | 0 | 0 | 0 | 0 | 113.1 | L362 R363 E368 | L362-T366 PolarHBondContact O-N 3.31Å; L362-T366 VanDerWaalsContact O-N 3.13Å; R363-T366 WeakPolarHBondContact CA-OG1 3.45Å; T366-E368 PolarHBondContact O-N 3.08Å; T366-E368 WeakPolarHBondContact OG1-CB 3.35Å; T366-E368 WeakPolarHBondContact OG1-CG 3.42Å; T366-E368 PolarHBondContact OG1-N 2.94Å |
| 367 | G | 89.5 | Confident | 91.3 | Very high | 48 Ų | 48 | 77.5 Ų | 77.5 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | trans | 70.3 | 5.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R363 H365 R369 | R363-G367 WeakPolarHBondContact O-CA 3.47Å; R363-G367 PolarHBondContact O-N 3.15Å; H365-G367 VanDerWaalsContact C-N 3.27Å; H365-G367 PolarHBondContact O-N 2.94Å; G367-R369 PolarHBondContact O-N 3.18Å | ||
| 368 | E | 92.3 | Very high | 91.2 | Very high | 112 Ų | 112 | 77.8 Ų | 77.8 | 52% | 0.523 | 39% | 0.385 | S | S | . | . | trans | -61.2 | 124.6 | -178.2 | -79.8 | -177.3 | -174.5 | 0 | 0 | 111.9 | R363 T366 | R363-E368 HydrophobicContact CB-CB 4.42Å; R363-E368 HydrophobicContact CG-CB 4.31Å; R363-E368 PolarHBondContact O-N 3.01Å; T366-E368 PolarHBondContact O-N 3.08Å; T366-E368 WeakPolarHBondContact OG1-CB 3.35Å; T366-E368 WeakPolarHBondContact OG1-CG 3.42Å; T366-E368 PolarHBondContact OG1-N 2.94Å | ||
| 369 | R | 91.7 | Very high | 91.1 | Very high | 132 Ų | 132 | 82 Ų | 82 | 50% | 0.498 | 40% | 0.399 | S | S | . | . | trans | -124 | 83.6 | 174.2 | -67.5 | 171.7 | 174.1 | -133.7 | 7.4 | 109.3 | G367 Y371 R379 F380 T381 | G367-R369 PolarHBondContact O-N 3.18Å; R369-Y371 VanDerWaalsContact C-N 3.27Å; R369-Y371 PolarHBondContact O-N 3.23Å; R369-R379 HydrophobicContact CB-CB 3.6Å; R369-R379 PolarHBondContact NH1-O 3.35Å; R369-R379 PolarHBondContact O-NE 3.41Å; R369-R379 PolarHBondContact O-NH2 2.91Å; R369-F380 CarbonylContact C-O 3.18Å; R369-F380 VanDerWaalsContact C-O 3.31Å; R369-F380 WeakPolarHBondContact CA-O 3.39Å; R369-T381 HydrophobicContact CG-CG2 3.83Å | ||
| 370 | P | 91.1 | Very high | 91 | Very high | 61 Ų | 61 | 76.3 Ų | 76.3 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | trans | -70 | -21.1 | -171.8 | -22 | 34.7 | 0 | 0 | 0 | 114.2 | ||||
| 371 | Y | 92.7 | Very high | 90.9 | Very high | 67 Ų | 67 | 74.9 Ų | 74.9 | 26% | 0.263 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.4 | -170.6 | -54.5 | -76.9 | 0 | 0 | 0 | 110.8 | R369 R379 F380 T381 S383 | R369-Y371 VanDerWaalsContact C-N 3.27Å; R369-Y371 PolarHBondContact O-N 3.23Å; Y371-R379 CarbonylContact O-C 3.58Å; Y371-R379 VanDerWaalsContact O-CA 3.28Å; Y371-R379 WeakPolarHBondContact O-CA 3.49Å; Y371-F380 PolarHBondContact N-O 2.99Å; Y371-F380 PolarHBondContact O-N 3.22Å; Y371-T381 WeakPolarHBondContact CE2-O 3.4Å; Y371-S383 VanDerWaalsContact CE2-N 3.33Å |
| 372 | Q | 91.5 | Very high | 90.9 | Very high | 78 Ų | 78 | 76.6 Ų | 76.6 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.7 | -177.2 | -176 | 167.8 | -1.4 | 0 | 0 | 110.9 | R379 L386 | Q372-R379 HydrophobicContact CB-CG 4.38Å; Q372-R379 HydrophobicContact CG-CG 4.3Å; Q372-L386 WeakPolarHBondContact O-CD2 3.34Å |
| 373 | C | 91 | Very high | 90.8 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -80.8 | 115.8 | 169.2 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | Q375 C376 Q377 Q378 F380 L386 H389 | C373-Q375 PolarHBondContact O-N 2.77Å; C373-Q375 VanDerWaalsContact O-N 3.16Å; C373-C376 PolarHBondContact O-N 3.23Å; C373-Q377 WeakPolarHBondContact O-CA 3.32Å; C373-Q377 PolarHBondContact O-N 3.45Å; C373-Q378 PolarHBondContact N-O 3.39Å; C373-F380 HydrophobicContact CB-CE2 4.27Å; C373-L386 HydrophobicContact CB-CD1 3.61Å; C373-H389 VanDerWaalsContact SG-CD2 3.55Å; C373-H389 PolarHBondContact SG-NE2 2.91Å; C373-H389 VanDerWaalsContact SG-NE2 3.41Å | ||
| 374 | E | 88.6 | Confident | 90.8 | Very high | 147 Ų | 147 | 79.2 Ų | 79.2 | 69% | 0.687 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -25.6 | 177.6 | -70.2 | 155 | -158.7 | 0 | 0 | 113.1 | Q377 | E374-Q377 PolarHBondContact O-NE2 3.23Å; E374-Q377 VanDerWaalsContact O-NE2 3.12Å |
| 375 | Q | 85.3 | Confident | 90.8 | Very high | 103 Ų | 103 | 76.5 Ų | 76.5 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -34.4 | -175.2 | -60.2 | -177.4 | -24.9 | 0 | 0 | 114 | C373 I397 | C373-Q375 PolarHBondContact O-N 2.77Å; C373-Q375 VanDerWaalsContact O-N 3.16Å; Q375-I397 HydrophobicContact CB-CD1 3.72Å; Q375-I397 HydrophobicContact CG-CD1 4.46Å |
| 376 | C | 88.7 | Confident | 90.8 | Very high | 44 Ų | 44 | 73.9 Ų | 73.9 | 30% | 0.297 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 0.2 | -177.5 | 74.1 | 0 | 0 | 0 | 0 | 113.8 | C373 Q378 H389 | C373-C376 PolarHBondContact O-N 3.23Å; C376-Q378 PolarHBondContact O-N 3.29Å; C376-Q378 VanDerWaalsContact O-N 3.07Å; C376-Q378 WeakPolarHBondContact SG-CB 3.39Å; C376-Q378 PolarHBondContact SG-N 3.22Å; C376-H389 VanDerWaalsContact SG-CE1 3.51Å; C376-H389 PolarHBondContact SG-NE2 2.6Å |
| 377 | Q | 88.2 | Confident | 90.7 | Very high | 111 Ų | 111 | 76.4 Ų | 76.4 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | trans | 60.9 | 10.2 | -177.9 | -50.3 | -58.9 | -14.4 | 0 | 0 | 115.4 | C373 E374 | C373-Q377 WeakPolarHBondContact O-CA 3.32Å; C373-Q377 PolarHBondContact O-N 3.45Å; E374-Q377 PolarHBondContact O-NE2 3.23Å; E374-Q377 VanDerWaalsContact O-NE2 3.12Å | ||
| 378 | Q | 89.2 | Confident | 90.8 | Very high | 92 Ų | 92 | 77 Ų | 77 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | trans | -68.8 | 134.2 | 176.5 | -166.2 | 171.6 | 26.1 | 0 | 0 | 111 | C373 C376 F380 H389 | C373-Q378 PolarHBondContact N-O 3.39Å; C376-Q378 PolarHBondContact O-N 3.29Å; C376-Q378 VanDerWaalsContact O-N 3.07Å; C376-Q378 WeakPolarHBondContact SG-CB 3.39Å; C376-Q378 PolarHBondContact SG-N 3.22Å; Q378-F380 HydrophobicContact CB-CE2 3.97Å; Q378-F380 HydrophobicContact CB-CZ 4.02Å; Q378-F380 HydrophobicContact CG-CE1 4.4Å; Q378-F380 HydrophobicContact CG-CE2 4.04Å; Q378-F380 HydrophobicContact CG-CZ 3.73Å; Q378-F380 WeakPolarHBondContact O-CD2 3.41Å; Q378-F380 VanDerWaalsContact O-CE2 3.27Å; Q378-F380 WeakPolarHBondContact O-CE2 3.38Å; Q378-H389 PolarHBondContact OE1-CE1 3.29Å; Q378-H389 PolarHBondContact OE1-ND1 3.3Å | ||
| 379 | R | 92.2 | Very high | 90.7 | Very high | 112 Ų | 112 | 72.6 Ų | 72.6 | 42% | 0.423 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.9 | -178.6 | -53.4 | -176.1 | 70.7 | 101.2 | -0.8 | 112.4 | R369 Y371 Q372 | R369-R379 HydrophobicContact CB-CB 3.6Å; R369-R379 PolarHBondContact NH1-O 3.35Å; R369-R379 PolarHBondContact O-NE 3.41Å; R369-R379 PolarHBondContact O-NH2 2.91Å; Y371-R379 CarbonylContact O-C 3.58Å; Y371-R379 VanDerWaalsContact O-CA 3.28Å; Y371-R379 WeakPolarHBondContact O-CA 3.49Å; Q372-R379 HydrophobicContact CB-CG 4.38Å; Q372-R379 HydrophobicContact CG-CG 4.3Å |
| 380 | F | 90 | Very high | 90.5 | Very high | 29 Ų | 29 | 70 Ų | 70 | 13% | 0.127 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 150.5 | -175.9 | -57.8 | -88 | 0 | 0 | 0 | 111.2 | R369 Y371 C373 Q378 L386 H389 | R369-F380 CarbonylContact C-O 3.18Å; R369-F380 VanDerWaalsContact C-O 3.31Å; R369-F380 WeakPolarHBondContact CA-O 3.39Å; Y371-F380 PolarHBondContact N-O 2.99Å; Y371-F380 PolarHBondContact O-N 3.22Å; C373-F380 HydrophobicContact CB-CE2 4.27Å; Q378-F380 HydrophobicContact CB-CE2 3.97Å; Q378-F380 HydrophobicContact CB-CZ 4.02Å; Q378-F380 HydrophobicContact CG-CE1 4.4Å; Q378-F380 HydrophobicContact CG-CE2 4.04Å; Q378-F380 HydrophobicContact CG-CZ 3.73Å; Q378-F380 WeakPolarHBondContact O-CD2 3.41Å; Q378-F380 VanDerWaalsContact O-CE2 3.27Å; Q378-F380 WeakPolarHBondContact O-CE2 3.38Å; F380-L386 HydrophobicContact CB-CB 4.42Å; F380-L386 HydrophobicContact CD2-CB 3.91Å; F380-L386 HydrophobicContact CD2-CD1 3.82Å; F380-L386 HydrophobicContact CD2-CG 4.46Å; F380-L386 HydrophobicContact CE2-CD1 3.89Å; F380-L386 HydrophobicContact CG-CB 4.29Å; F380-H389 HydrophobicContact CE1-CB 3.89Å; F380-H389 HydrophobicContact CE2-CB 3.99Å; F380-H389 AromaticContact CE2-CD2 3.73Å; F380-H389 AromaticContact CE2-CG 3.73Å; F380-H389 HydrophobicContact CZ-CB 3.45Å; F380-H389 VanDerWaalsContact CZ-CB 3.45Å; F380-H389 AromaticContact CZ-CD2 3.68Å; F380-H389 AromaticContact CZ-CE1 3.97Å; F380-H389 AromaticContact CZ-CG 3.22Å; F380-H389 AromaticContact CZ-ND1 3.46Å; F380-H389 WeakPolarHBondContact CZ-ND1 3.44Å |
| 381 | T | 91.3 | Very high | 90 | Very high | 46 Ų | 46 | 73.4 Ų | 73.4 | 28% | 0.282 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -79.3 | -20.1 | 176.7 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | R363 R369 Y371 | R363-T381 PolarHBondContact NH1-O 3.44Å; R369-T381 HydrophobicContact CG-CG2 3.83Å; Y371-T381 WeakPolarHBondContact CE2-O 3.4Å |
| 382 | Q | 92.2 | Very high | 89.3 | Confident | 65 Ų | 65 | 76 Ų | 76 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -134.2 | 144.4 | -176.6 | -53.6 | -173.1 | 40.6 | 0 | 0 | 111.9 | R360 N384 S385 L386 | R360-Q382 HydrophobicContact CG-CG 4.39Å; Q382-N384 PolarHBondContact O-N 2.93Å; Q382-S385 WeakPolarHBondContact O-CB 3.49Å; Q382-S385 PolarHBondContact O-N 3.29Å; Q382-L386 PolarHBondContact O-N 2.85Å |
| 383 | S | 92.9 | Very high | 88.5 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 178.7 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | Y371 S385 L386 K387 | Y371-S383 VanDerWaalsContact CE2-N 3.33Å; S383-S385 VanDerWaalsContact C-N 3.32Å; S383-S385 PolarHBondContact O-N 3.44Å; S383-L386 WeakPolarHBondContact O-CB 3.36Å; S383-L386 PolarHBondContact O-N 3.41Å; S383-K387 WeakPolarHBondContact O-CG 3.48Å; S383-K387 PolarHBondContact O-N 3.41Å |
| 384 | N | 91.8 | Very high | 87.2 | Confident | 108 Ų | 108 | 75.9 Ų | 75.9 | 58% | 0.578 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.9 | -35.3 | 177.1 | -72.2 | -0.6 | 0 | 0 | 0 | 112 | Q382 L386 K387 A388 | Q382-N384 PolarHBondContact O-N 2.93Å; N384-L386 VanDerWaalsContact C-N 3.35Å; N384-K387 PolarHBondContact O-N 3.3Å; N384-A388 WeakPolarHBondContact O-CB 3.41Å; N384-A388 PolarHBondContact O-N 2.94Å |
| 385 | S | 92.2 | Very high | 85.8 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 34% | 0.343 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 172.8 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | Q382 S383 H389 | Q382-S385 WeakPolarHBondContact O-CB 3.49Å; Q382-S385 PolarHBondContact O-N 3.29Å; S383-S385 VanDerWaalsContact C-N 3.32Å; S383-S385 PolarHBondContact O-N 3.44Å; S385-H389 VanDerWaalsContact O-CB 3.23Å; S385-H389 WeakPolarHBondContact O-CB 3.26Å; S385-H389 PolarHBondContact O-N 3.37Å |
| 386 | L | 92.6 | Very high | 84.6 | Confident | 21 Ų | 21 | 68.7 Ų | 68.7 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 172.2 | 172.9 | 62.3 | 0 | 0 | 0 | 111.8 | Q372 C373 F380 Q382 S383 N384 H389 K390 | Q372-L386 WeakPolarHBondContact O-CD2 3.34Å; C373-L386 HydrophobicContact CB-CD1 3.61Å; F380-L386 HydrophobicContact CB-CB 4.42Å; F380-L386 HydrophobicContact CD2-CB 3.91Å; F380-L386 HydrophobicContact CD2-CD1 3.82Å; F380-L386 HydrophobicContact CD2-CG 4.46Å; F380-L386 HydrophobicContact CE2-CD1 3.89Å; F380-L386 HydrophobicContact CG-CB 4.29Å; Q382-L386 PolarHBondContact O-N 2.85Å; S383-L386 WeakPolarHBondContact O-CB 3.36Å; S383-L386 PolarHBondContact O-N 3.41Å; N384-L386 VanDerWaalsContact C-N 3.35Å; L386-H389 CarbonylContact O-C 3.4Å; L386-H389 WeakPolarHBondContact O-CB 3.47Å; L386-H389 PolarHBondContact O-N 3.17Å; L386-K390 HydrophobicContact CD1-CG 4.13Å; L386-K390 HydrophobicContact CG-CG 4.47Å; L386-K390 WeakPolarHBondContact O-CG 3.3Å; L386-K390 PolarHBondContact O-N 2.87Å |
| 387 | K | 90.6 | Very high | 83.1 | Confident | 135 Ų | 135 | 69.3 Ų | 69.3 | 59% | 0.587 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.6 | -48.8 | 177.3 | -73.4 | -179.1 | 179.8 | -176.9 | 0 | 111.8 | S383 N384 H389 K390 N391 | S383-K387 WeakPolarHBondContact O-CG 3.48Å; S383-K387 PolarHBondContact O-N 3.41Å; N384-K387 PolarHBondContact O-N 3.3Å; K387-H389 VanDerWaalsContact C-N 3.27Å; K387-H389 PolarHBondContact O-N 3.37Å; K387-K390 PolarHBondContact O-N 3.04Å; K387-N391 PolarHBondContact O-N 3.48Å |
| 388 | A | 89.8 | Confident | 81.5 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 50% | 0.504 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N384 N391 | N384-A388 WeakPolarHBondContact O-CB 3.41Å; N384-A388 PolarHBondContact O-N 2.94Å; A388-N391 PolarHBondContact O-N 3.44Å |
| 389 | H | 90.7 | Very high | 79.9 | Confident | 19 Ų | 19 | 71.4 Ų | 71.4 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.4 | 170.6 | 84.4 | 0 | 0 | 0 | 112.6 | C373 C376 Q378 F380 S385 L386 K387 N391 H392 C393 | C373-H389 VanDerWaalsContact SG-CD2 3.55Å; C373-H389 PolarHBondContact SG-NE2 2.91Å; C373-H389 VanDerWaalsContact SG-NE2 3.41Å; C376-H389 VanDerWaalsContact SG-CE1 3.51Å; C376-H389 PolarHBondContact SG-NE2 2.6Å; Q378-H389 PolarHBondContact OE1-CE1 3.29Å; Q378-H389 PolarHBondContact OE1-ND1 3.3Å; F380-H389 HydrophobicContact CE1-CB 3.89Å; F380-H389 HydrophobicContact CE2-CB 3.99Å; F380-H389 AromaticContact CE2-CD2 3.73Å; F380-H389 AromaticContact CE2-CG 3.73Å; F380-H389 HydrophobicContact CZ-CB 3.45Å; F380-H389 VanDerWaalsContact CZ-CB 3.45Å; F380-H389 AromaticContact CZ-CD2 3.68Å; F380-H389 AromaticContact CZ-CE1 3.97Å; F380-H389 AromaticContact CZ-CG 3.22Å; F380-H389 AromaticContact CZ-ND1 3.46Å; F380-H389 WeakPolarHBondContact CZ-ND1 3.44Å; S385-H389 VanDerWaalsContact O-CB 3.23Å; S385-H389 WeakPolarHBondContact O-CB 3.26Å; S385-H389 PolarHBondContact O-N 3.37Å; L386-H389 CarbonylContact O-C 3.4Å; L386-H389 WeakPolarHBondContact O-CB 3.47Å; L386-H389 PolarHBondContact O-N 3.17Å; K387-H389 VanDerWaalsContact C-N 3.27Å; K387-H389 PolarHBondContact O-N 3.37Å; H389-N391 PolarHBondContact O-N 3.47Å; H389-H392 CarbonylContact O-C 3.5Å; H389-H392 PolarHBondContact O-N 3.05Å; H389-C393 WeakPolarHBondContact NE2-CB 3.48Å; H389-C393 PolarHBondContact NE2-SG 3.03Å; H389-C393 VanDerWaalsContact O-CB 3.26Å; H389-C393 WeakPolarHBondContact O-CB 3.49Å; H389-C393 PolarHBondContact O-N 3.44Å |
| 390 | K | 87.4 | Confident | 78.3 | Confident | 79 Ų | 79 | 75 Ų | 75 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.4 | -36.6 | 179.2 | -79.5 | -172 | 174.1 | -166.6 | 0 | 111.6 | L386 K387 H392 C393 | L386-K390 HydrophobicContact CD1-CG 4.13Å; L386-K390 HydrophobicContact CG-CG 4.47Å; L386-K390 WeakPolarHBondContact O-CG 3.3Å; L386-K390 PolarHBondContact O-N 2.87Å; K387-K390 PolarHBondContact O-N 3.04Å; K390-H392 VanDerWaalsContact C-N 3.28Å; K390-H392 PolarHBondContact O-N 3.47Å; K390-C393 PolarHBondContact O-N 3.07Å |
| 391 | N | 81 | Confident | 76.7 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 71% | 0.706 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.4 | -30.9 | 176.4 | -63.1 | -13.3 | 0 | 0 | 0 | 113.2 | K387 A388 H389 T394 | K387-N391 PolarHBondContact O-N 3.48Å; A388-N391 PolarHBondContact O-N 3.44Å; H389-N391 PolarHBondContact O-N 3.47Å; N391-T394 PolarHBondContact O-OG1 3.16Å |
| 392 | H | 79.2 | Confident | 75 | Confident | 121 Ų | 121 | 85 Ų | 85 | 56% | 0.56 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -94.8 | -28.6 | 178.7 | -173.8 | -94.6 | 0 | 0 | 0 | 113 | H389 K390 T394 G395 M396 | H389-H392 CarbonylContact O-C 3.5Å; H389-H392 PolarHBondContact O-N 3.05Å; K390-H392 VanDerWaalsContact C-N 3.28Å; K390-H392 PolarHBondContact O-N 3.47Å; H392-T394 VanDerWaalsContact C-N 3.3Å; H392-T394 PolarHBondContact O-N 3.12Å; H392-G395 WeakPolarHBondContact O-CA 3.32Å; H392-G395 PolarHBondContact O-N 3.4Å; H392-M396 WeakPolarHBondContact CE1-CG 3.47Å; H392-M396 PolarHBondContact CE1-SD 3.47Å; H392-M396 VanDerWaalsContact ND1-CG 3.35Å; H392-M396 WeakPolarHBondContact ND1-CG 3.32Å; H392-M396 PolarHBondContact ND1-SD 3.06Å; H392-M396 VanDerWaalsContact ND1-SD 3.43Å; H392-M396 PolarHBondContact O-N 3.29Å; H392-M396 VanDerWaalsContact O-N 3.09Å |
| 393 | C | 73.2 | Confident | 73.3 | Confident | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.1 | -37.2 | -176.8 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | H389 K390 G395 M396 I397 | H389-C393 WeakPolarHBondContact NE2-CB 3.48Å; H389-C393 PolarHBondContact NE2-SG 3.03Å; H389-C393 VanDerWaalsContact O-CB 3.26Å; H389-C393 WeakPolarHBondContact O-CB 3.49Å; H389-C393 PolarHBondContact O-N 3.44Å; K390-C393 PolarHBondContact O-N 3.07Å; C393-G395 PolarHBondContact O-N 2.84Å; C393-M396 PolarHBondContact O-N 2.89Å; C393-I397 WeakPolarHBondContact O-CG1 3.48Å; C393-I397 PolarHBondContact O-N 3.03Å; C393-I397 VanDerWaalsContact O-N 3.13Å |
| 394 | T | 64.1 | Low | 71.6 | Confident | 75 Ų | 75 | 85.9 Ų | 85.9 | 46% | 0.46 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.4 | -34.2 | 171.8 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | N391 H392 | N391-T394 PolarHBondContact O-OG1 3.16Å; H392-T394 VanDerWaalsContact C-N 3.3Å; H392-T394 PolarHBondContact O-N 3.12Å |
| 395 | G | 59.4 | Low | 69.7 | Low | 42 Ų | 42 | 87.1 Ų | 87.1 | 43% | 0.433 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -74.1 | -41.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | H392 C393 I397 R398 A399 | H392-G395 WeakPolarHBondContact O-CA 3.32Å; H392-G395 PolarHBondContact O-N 3.4Å; C393-G395 PolarHBondContact O-N 2.84Å; G395-I397 PolarHBondContact O-N 2.89Å; G395-R398 PolarHBondContact O-N 3.33Å; G395-A399 PolarHBondContact O-N 2.95Å |
| 396 | M | 59.1 | Low | 67.8 | Low | 58 Ų | 58 | 87.5 Ų | 87.5 | 29% | 0.286 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70 | -29.7 | -178.1 | -63.5 | -164.3 | -44.8 | 0 | 0 | 113.8 | H392 C393 R398 A399 R400 | H392-M396 WeakPolarHBondContact CE1-CG 3.47Å; H392-M396 PolarHBondContact CE1-SD 3.47Å; H392-M396 VanDerWaalsContact ND1-CG 3.35Å; H392-M396 WeakPolarHBondContact ND1-CG 3.32Å; H392-M396 PolarHBondContact ND1-SD 3.06Å; H392-M396 VanDerWaalsContact ND1-SD 3.43Å; H392-M396 PolarHBondContact O-N 3.29Å; H392-M396 VanDerWaalsContact O-N 3.09Å; C393-M396 PolarHBondContact O-N 2.89Å; M396-R398 VanDerWaalsContact C-N 3.35Å; M396-A399 PolarHBondContact O-N 3.2Å; M396-R400 PolarHBondContact O-N 3.34Å |
| 397 | I | 57.4 | Low | 66 | Low | 56 Ų | 56 | 93.2 Ų | 93.2 | 29% | 0.287 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.4 | -37.4 | 177.3 | -65 | 164.6 | 0 | 0 | 0 | 110.5 | Q375 C393 G395 A399 R400 N401 | Q375-I397 HydrophobicContact CB-CD1 3.72Å; Q375-I397 HydrophobicContact CG-CD1 4.46Å; C393-I397 WeakPolarHBondContact O-CG1 3.48Å; C393-I397 PolarHBondContact O-N 3.03Å; C393-I397 VanDerWaalsContact O-N 3.13Å; G395-I397 PolarHBondContact O-N 2.89Å; I397-A399 VanDerWaalsContact C-N 3.3Å; I397-A399 PolarHBondContact O-N 3.5Å; I397-R400 PolarHBondContact O-N 3.42Å; I397-N401 WeakPolarHBondContact O-CB 3.38Å; I397-N401 VanDerWaalsContact O-CG 3.32Å; I397-N401 PolarHBondContact O-N 3.46Å |
| 398 | R | 55.8 | Low | 64.1 | Low | 193 Ų | 193 | 90.4 Ų | 90.4 | 73% | 0.728 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.7 | -38.5 | 172.7 | -67.7 | -179.1 | 177.3 | 175.8 | -0.8 | 111.7 | G395 M396 R402 | G395-R398 PolarHBondContact O-N 3.33Å; M396-R398 VanDerWaalsContact C-N 3.35Å; R398-R402 WeakPolarHBondContact O-CG 3.28Å; R398-R402 PolarHBondContact O-N 3.47Å |
| 399 | A | 56.1 | Low | 62.4 | Low | 55 Ų | 55 | 91.2 Ų | 91.2 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.3 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G395 M396 I397 N401 R402 V403 | G395-A399 PolarHBondContact O-N 2.95Å; M396-A399 PolarHBondContact O-N 3.2Å; I397-A399 VanDerWaalsContact C-N 3.3Å; I397-A399 PolarHBondContact O-N 3.5Å; A399-N401 PolarHBondContact O-N 3.24Å; A399-R402 PolarHBondContact O-N 3.03Å; A399-V403 WeakPolarHBondContact O-CG2 3.41Å; A399-V403 PolarHBondContact O-N 3.43Å; A399-V403 VanDerWaalsContact O-N 3.14Å |
| 400 | R | 57.4 | Low | 60.6 | Low | 186 Ų | 186 | 97.8 Ų | 97.8 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 176.4 | -93.5 | -174.6 | 167 | 121.8 | -2.8 | 112.8 | M396 I397 V403 G404 | M396-R400 PolarHBondContact O-N 3.34Å; I397-R400 PolarHBondContact O-N 3.42Å; R400-V403 PolarHBondContact O-N 3.47Å; R400-G404 PolarHBondContact O-N 3.46Å |
| 401 | N | 56.9 | Low | 58.8 | Low | 99 Ų | 99 | 99.6 Ų | 99.6 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.6 | -36.4 | 177.7 | -74.2 | -15.9 | 0 | 0 | 0 | 112.4 | I397 A399 G404 Q405 | I397-N401 WeakPolarHBondContact O-CB 3.38Å; I397-N401 VanDerWaalsContact O-CG 3.32Å; I397-N401 PolarHBondContact O-N 3.46Å; A399-N401 PolarHBondContact O-N 3.24Å; N401-G404 PolarHBondContact O-N 2.97Å; N401-Q405 WeakPolarHBondContact O-CG 3.47Å; N401-Q405 PolarHBondContact O-N 3.45Å |
| 402 | R | 55.2 | Low | 57.4 | Low | 188 Ų | 188 | 96.7 Ų | 96.7 | 71% | 0.709 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.6 | -40.4 | 172.2 | -76.6 | -177 | -171.1 | 179 | 2.3 | 112.5 | R398 A399 G404 Q405 A406 | R398-R402 WeakPolarHBondContact O-CG 3.28Å; R398-R402 PolarHBondContact O-N 3.47Å; A399-R402 PolarHBondContact O-N 3.03Å; R402-G404 VanDerWaalsContact C-N 3.32Å; R402-Q405 PolarHBondContact O-N 3.31Å; R402-A406 WeakPolarHBondContact O-CB 3.15Å; R402-A406 PolarHBondContact O-N 3.49Å |
| 403 | V | 57.6 | Low | 56.1 | Low | 85 Ų | 85 | 94.2 Ų | 94.2 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -33.6 | 176 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | A399 R400 K407 | A399-V403 WeakPolarHBondContact O-CG2 3.41Å; A399-V403 PolarHBondContact O-N 3.43Å; A399-V403 VanDerWaalsContact O-N 3.14Å; R400-V403 PolarHBondContact O-N 3.47Å; V403-K407 WeakPolarHBondContact O-CG 3.5Å; V403-K407 PolarHBondContact O-N 3.16Å |
| 404 | G | 56.6 | Low | 55.1 | Low | 41 Ų | 41 | 97.6 Ų | 97.6 | 42% | 0.423 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R400 N401 R402 K407 S408 | R400-G404 PolarHBondContact O-N 3.46Å; N401-G404 PolarHBondContact O-N 2.97Å; R402-G404 VanDerWaalsContact C-N 3.32Å; G404-K407 PolarHBondContact O-N 3.14Å; G404-S408 PolarHBondContact O-N 3.18Å |
| 405 | Q | 52 | Low | 54.5 | Low | 135 Ų | 135 | 99.4 Ų | 99.4 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.3 | -37.2 | 176.8 | -75.2 | 179.2 | -12.1 | 0 | 0 | 112.6 | N401 R402 K407 S408 S409 | N401-Q405 WeakPolarHBondContact O-CG 3.47Å; N401-Q405 PolarHBondContact O-N 3.45Å; R402-Q405 PolarHBondContact O-N 3.31Å; Q405-K407 PolarHBondContact O-N 3.42Å; Q405-S408 PolarHBondContact O-N 3.47Å; Q405-S408 PolarHBondContact O-OG 2.86Å; Q405-S409 WeakPolarHBondContact O-CB 3.47Å; Q405-S409 PolarHBondContact O-N 2.86Å |
| 406 | A | 52.4 | Low | 54.2 | Low | 56 Ų | 56 | 102.6 Ų | 102.6 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.7 | -23.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R402 K410 | R402-A406 WeakPolarHBondContact O-CB 3.15Å; R402-A406 PolarHBondContact O-N 3.49Å; A406-K410 WeakPolarHBondContact O-CG 3.15Å |
| 407 | K | 53.4 | Low | 53.7 | Low | 142 Ų | 142 | 103.8 Ų | 103.8 | 62% | 0.617 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -86.5 | -37.4 | 174.4 | -71.9 | 179.1 | -179.9 | -172.8 | 0 | 112.2 | V403 G404 Q405 K410 N411 | V403-K407 WeakPolarHBondContact O-CG 3.5Å; V403-K407 PolarHBondContact O-N 3.16Å; G404-K407 PolarHBondContact O-N 3.14Å; Q405-K407 PolarHBondContact O-N 3.42Å; K407-K410 PolarHBondContact O-N 3.1Å; K407-N411 PolarHBondContact O-N 3.27Å |
| 408 | S | 50.9 | Low | 53 | Low | 75 Ų | 75 | 111.6 Ų | 111.6 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.4 | -36 | 175.8 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | G404 Q405 K410 N411 S412 | G404-S408 PolarHBondContact O-N 3.18Å; Q405-S408 PolarHBondContact O-N 3.47Å; Q405-S408 PolarHBondContact O-OG 2.86Å; S408-K410 VanDerWaalsContact C-N 3.26Å; S408-K410 PolarHBondContact O-N 2.68Å; S408-N411 PolarHBondContact O-N 3.48Å; S408-S412 PolarHBondContact O-N 2.91Å; S408-S412 VanDerWaalsContact O-N 3.12Å; S408-S412 PolarHBondContact O-OG 3.43Å |
| 409 | S | 53.9 | Low | 52.9 | Low | 78 Ų | 78 | 107.5 Ų | 107.5 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.8 | -19.6 | 178.9 | -155.6 | 0 | 0 | 0 | 0 | 113.6 | Q405 S412 | Q405-S409 WeakPolarHBondContact O-CB 3.47Å; Q405-S409 PolarHBondContact O-N 2.86Å; S409-S412 PolarHBondContact O-OG 3.18Å |
| 410 | K | 53.5 | Low | 52.7 | Low | 158 Ų | 158 | 110.3 Ų | 110.3 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -82.6 | -33 | 173 | -73.8 | -179 | -179.3 | -174.7 | 0 | 112.2 | A406 K407 S408 S414 | A406-K410 WeakPolarHBondContact O-CG 3.15Å; K407-K410 PolarHBondContact O-N 3.1Å; S408-K410 VanDerWaalsContact C-N 3.26Å; S408-K410 PolarHBondContact O-N 2.68Å; K410-S414 PolarHBondContact O-OG 3.09Å |
| 411 | N | 49.7 | Very low | 52.4 | Low | 117 Ų | 117 | 106.1 Ų | 106.1 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76.7 | -25.6 | 176.4 | -73.6 | 4.9 | 0 | 0 | 0 | 112.8 | K407 S408 S414 V415 | K407-N411 PolarHBondContact O-N 3.27Å; S408-N411 PolarHBondContact O-N 3.48Å; N411-S414 PolarHBondContact O-OG 3.43Å; N411-V415 VanDerWaalsContact O-CG2 3.32Å; N411-V415 WeakPolarHBondContact O-CG2 3.29Å |
| 412 | S | 51.2 | Low | 52.2 | Low | 70 Ų | 70 | 106.5 Ų | 106.5 | 49% | 0.49 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -77.2 | -27.8 | 173.8 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | S408 S409 | S408-S412 PolarHBondContact O-N 2.91Å; S408-S412 VanDerWaalsContact O-N 3.12Å; S408-S412 PolarHBondContact O-OG 3.43Å; S409-S412 PolarHBondContact O-OG 3.18Å |
| 413 | A | 52.3 | Low | 52 | Low | 70 Ų | 70 | 101.4 Ų | 101.4 | 58% | 0.579 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76.8 | -23.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 414 | S | 52.2 | Low | 51.6 | Low | 70 Ų | 70 | 102.5 Ų | 102.5 | 49% | 0.49 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -86.3 | -11 | 177.4 | 45.8 | 0 | 0 | 0 | 0 | 114.5 | K410 N411 | K410-S414 PolarHBondContact O-OG 3.09Å; N411-S414 PolarHBondContact O-OG 3.43Å |
| 415 | V | 51.6 | Low | 51.3 | Low | 113 Ų | 113 | 106.9 Ų | 106.9 | 69% | 0.685 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -98.5 | -9 | -178.6 | 180 | 0 | 0 | 0 | 0 | 112.2 | N411 | N411-V415 VanDerWaalsContact O-CG2 3.32Å; N411-V415 WeakPolarHBondContact O-CG2 3.29Å |
| 416 | S | 53.1 | Low | 51.2 | Low | 109 Ų | 109 | 104.7 Ų | 104.7 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -106.4 | 13.3 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 114 | ||
| 417 | A | 49.4 | Very low | 51.1 | Low | 83 Ų | 83 | 108.8 Ų | 108.8 | 69% | 0.686 | 65% | 0.654 | S | S | * | * | trans | -123.7 | 13.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 418 | L | 42.4 | Very low | 50.9 | Low | 220 Ų | 220 | 105.7 Ų | 105.7 | 100% | 1.152 | 66% | 0.657 | S | S | * | * | trans | -123.9 | 0 | 168.1 | -77.6 | 163.5 | 0 | 0 | 0 | 107.3 |
Retrieved 418 of 418 residues in 186.6 ms
(Link to these results)