| 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 | 38.4 | Very low | 37.5 | Very low | 239 Ų | 239 | 163.9 Ų | 163.9 | 100% | 1.177 | 83% | 0.827 | S | S | * | * | 0 | 120.5 | 0 | -85.6 | 173.6 | 152.2 | 0 | 0 | 107.1 | K3 | M1-K3 PolarHBondContact O-N 3.38Š| |||
| 2 | N | 36.5 | Very low | 37 | Very low | 149 Ų | 149 | 157.2 Ų | 157.2 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -62.9 | 127.3 | -167.6 | -72.6 | -16.6 | 0 | 0 | 0 | 111 | D4 | N2-D4 PolarHBondContact O-N 3.17Š| ||
| 3 | K | 37.8 | Very low | 37.1 | Very low | 188 Ų | 188 | 152.5 Ų | 152.5 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -84.6 | 96.5 | 164.5 | -69 | -173.8 | 176.3 | -174.8 | 0 | 105.7 | M1 Y5 | M1-K3 PolarHBondContact O-N 3.38Å; K3-Y5 WeakPolarHBondContact O-CD2 3.44Å; K3-Y5 PolarHBondContact O-N 2.87Å | ||
| 4 | D | 37.6 | Very low | 37.5 | Very low | 142 Ų | 142 | 150 Ų | 150 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -67.6 | 115.6 | 171.4 | -68.5 | -34.5 | 0 | 0 | 0 | 107.3 | N2 D6 | N2-D4 PolarHBondContact O-N 3.17Å; D4-D6 PolarHBondContact O-N 2.75Å | ||
| 5 | Y | 35.9 | Very low | 37.5 | Very low | 219 Ų | 219 | 151.9 Ų | 151.9 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -67.4 | 106.5 | 175 | -74.1 | -98.2 | 0 | 0 | 0 | 106.9 | K3 C7 | K3-Y5 WeakPolarHBondContact O-CD2 3.44Å; K3-Y5 PolarHBondContact O-N 2.87Å; Y5-C7 PolarHBondContact O-N 2.85Å | ||
| 6 | D | 39.9 | Very low | 37.4 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -56.8 | 111.3 | 160.7 | -79.8 | -39.1 | 0 | 0 | 0 | 106.7 | D4 E8 | D4-D6 PolarHBondContact O-N 2.75Å; D6-E8 PolarHBondContact O-N 2.89Å | ||
| 7 | C | 36.2 | Very low | 37.1 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | trans | -69.2 | 79.2 | 172.4 | -148.3 | 0 | 0 | 0 | 0 | 105.6 | Y5 D9 | Y5-C7 PolarHBondContact O-N 2.85Å; C7-D9 PolarHBondContact O-N 2.93Å | ||
| 8 | E | 40.6 | Very low | 37.3 | Very low | 161 Ų | 161 | 156.8 Ų | 156.8 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -51.8 | 113.4 | 171.3 | -78 | -85.8 | 151.8 | 0 | 0 | 106.9 | D6 L10 | D6-E8 PolarHBondContact O-N 2.89Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 2.62Å | ||
| 9 | D | 35.5 | Very low | 37.3 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | trans | -58.1 | 94.9 | -176.9 | -163.3 | -10.1 | 0 | 0 | 0 | 108.4 | C7 N11 S12 | C7-D9 PolarHBondContact O-N 2.93Å; D9-N11 PolarHBondContact O-N 3.06Å; D9-N11 PolarHBondContact OD1-N 2.93Å; D9-S12 VanDerWaalsContact O-CB 3.26Å; D9-S12 WeakPolarHBondContact O-CB 3.47Å; D9-S12 PolarHBondContact O-N 2.88Å | ||
| 10 | L | 39.5 | Very low | 37 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -4.6 | 179.5 | -73 | 169.9 | 0 | 0 | 0 | 112.4 | E8 | E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 2.62Å |
| 11 | N | 34.3 | Very low | 36.9 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -0.5 | 172.5 | -65.6 | -32.1 | 0 | 0 | 0 | 113.7 | D9 S13 | D9-N11 PolarHBondContact O-N 3.06Å; D9-N11 PolarHBondContact OD1-N 2.93Å; N11-S13 VanDerWaalsContact C-N 3.35Å; N11-S13 PolarHBondContact O-N 3.08Å |
| 12 | S | 31.3 | Very low | 36.6 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 58% | 0.58 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -63.2 | 99.6 | 162.4 | 167.4 | 0 | 0 | 0 | 0 | 107.5 | D9 | D9-S12 VanDerWaalsContact O-CB 3.26Å; D9-S12 WeakPolarHBondContact O-CB 3.47Å; D9-S12 PolarHBondContact O-N 2.88Å |
| 13 | S | 38.9 | Very low | 36.6 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | trans | -42.2 | 127.1 | 168.5 | -76.2 | 0 | 0 | 0 | 0 | 108.3 | N11 E15 | N11-S13 VanDerWaalsContact C-N 3.35Å; N11-S13 PolarHBondContact O-N 3.08Å; S13-E15 PolarHBondContact O-N 2.68Å | ||
| 14 | P | 42.1 | Very low | 37.1 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | trans | -60 | 106.2 | -178.7 | 21.8 | -30.6 | 0 | 0 | 0 | 107.5 | I16 | P14-I16 PolarHBondContact O-N 3.22Š| ||
| 15 | E | 38 | Very low | 37.3 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | trans | -64.5 | 86.3 | 168 | -83.3 | -166.8 | 151.3 | 0 | 0 | 106.5 | S13 R17 | S13-E15 PolarHBondContact O-N 2.68Å; E15-R17 VanDerWaalsContact C-N 3.27Å; E15-R17 PolarHBondContact O-N 3.18Å | ||
| 16 | I | 36.2 | Very low | 37.4 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 55% | 0.554 | 71% | 0.708 | S | S | * | * | trans | -62.6 | 102.6 | 161.4 | -57.9 | 175.1 | 0 | 0 | 0 | 104.3 | P14 R18 L20 | P14-I16 PolarHBondContact O-N 3.22Å; I16-R18 PolarHBondContact O-N 3.44Å; I16-L20 HydrophobicContact CG2-CB 4.44Å; I16-L20 WeakPolarHBondContact CG2-O 3.49Å | ||
| 17 | R | 32.7 | Very low | 37.5 | Very low | 203 Ų | 203 | 135 Ų | 135 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | trans | -48.7 | 128.2 | 173.9 | -78.7 | -173.2 | 173.7 | 176.8 | -0.5 | 108.3 | E15 G19 L20 | E15-R17 VanDerWaalsContact C-N 3.27Å; E15-R17 PolarHBondContact O-N 3.18Å; R17-G19 PolarHBondContact O-N 3.19Å; R17-L20 HydrophobicContact CB-CD1 4.49Å; R17-L20 PolarHBondContact O-N 2.92Å | ||
| 18 | R | 40 | Very low | 37.3 | Very low | 233 Ų | 233 | 133.5 Ų | 133.5 | 88% | 0.879 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | 131.7 | -176.5 | -65.9 | -176.8 | 175.3 | -161.6 | 2.5 | 110.4 | I16 | I16-R18 PolarHBondContact O-N 3.44Š|
| 19 | G | 37.5 | Very low | 37.2 | Very low | 54 Ų | 54 | 131 Ų | 131 | 56% | 0.557 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.2 | 11.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116 | R17 | R17-G19 PolarHBondContact O-N 3.19Š|
| 20 | L | 32.1 | Very low | 37.3 | Very low | 50 Ų | 50 | 132 Ų | 132 | 26% | 0.262 | 69% | 0.69 | S | S | . | * | trans | -119.7 | 103.7 | 174.5 | -70.1 | 169.4 | 0 | 0 | 0 | 109.9 | I16 R17 L29 | I16-L20 HydrophobicContact CG2-CB 4.44Å; I16-L20 WeakPolarHBondContact CG2-O 3.49Å; R17-L20 HydrophobicContact CB-CD1 4.49Å; R17-L20 PolarHBondContact O-N 2.92Å; L20-L29 HydrophobicContact CB-CD2 3.98Å; L20-L29 HydrophobicContact CD1-CB 4.37Å; L20-L29 HydrophobicContact CD1-CD1 4.15Å; L20-L29 HydrophobicContact CD1-CD2 4.15Å; L20-L29 HydrophobicContact CD1-CG 4.45Å; L20-L29 HydrophobicContact CD2-CB 3.82Å; L20-L29 HydrophobicContact CD2-CD2 4.4Å; L20-L29 HydrophobicContact CG-CD2 4.4Å | ||
| 21 | C | 34.3 | Very low | 37 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 54% | 0.541 | 69% | 0.686 | S | S | . | * | trans | -78.7 | 119.3 | 171.6 | -65.5 | 0 | 0 | 0 | 0 | 108.9 | Y23 D32 | C21-Y23 PolarHBondContact O-N 3.12Å; C21-D32 PolarHBondContact SG-OD2 2.77Å | ||
| 22 | K | 32.7 | Very low | 37.2 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 60% | 0.604 | 67% | 0.669 | S | S | * | * | trans | -78 | 111.5 | 171.3 | -152 | 179 | -173.9 | -171.9 | 0 | 107.8 | D27 | K22-D27 WeakPolarHBondContact CE-OD1 3.4Å; K22-D27 IonicContact NZ-OD1 2.86Å; K22-D27 PolarHBondContact NZ-OD1 3.19Å | ||
| 23 | Y | 35.3 | Very low | 37.5 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | trans | -77 | 142.5 | 168.2 | -106.8 | -87.7 | 0 | 0 | 0 | 109.7 | C21 N25 | C21-Y23 PolarHBondContact O-N 3.12Å; Y23-N25 PolarHBondContact O-N 3.04Å | ||
| 24 | D | 48.9 | Very low | 37.4 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 86% | 0.856 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -66.8 | -3.6 | -172.4 | -79.4 | -33.3 | 0 | 0 | 0 | 115 | ||
| 25 | N | 41.3 | Very low | 36.9 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -139.5 | 110.1 | 175.8 | -75.5 | -43.4 | 0 | 0 | 0 | 110.3 | Y23 | Y23-N25 PolarHBondContact O-N 3.04Š|
| 26 | N | 37.6 | Very low | 36.7 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 91 | 114.5 | 177.9 | -53.8 | -30.5 | 0 | 0 | 0 | 115.5 | S28 | N26-S28 PolarHBondContact O-N 3.38Š|
| 27 | D | 43.3 | Very low | 36.7 | Very low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | trans | -65.4 | 42.6 | -178.9 | -73.9 | -55.2 | 0 | 0 | 0 | 115 | K22 | K22-D27 WeakPolarHBondContact CE-OD1 3.4Å; K22-D27 IonicContact NZ-OD1 2.86Å; K22-D27 PolarHBondContact NZ-OD1 3.19Å | ||
| 28 | S | 32.2 | Very low | 37.1 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | trans | -105 | 116.3 | 171.3 | -97.3 | 0 | 0 | 0 | 0 | 111 | N26 I30 | N26-S28 PolarHBondContact O-N 3.38Å; S28-I30 PolarHBondContact O-N 3.44Å | ||
| 29 | L | 38.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 58% | 0.576 | 67% | 0.673 | S | S | * | * | trans | -79.3 | 99.2 | 176.7 | -65.1 | 167.3 | 0 | 0 | 0 | 109 | L20 | L20-L29 HydrophobicContact CB-CD2 3.98Å; L20-L29 HydrophobicContact CD1-CB 4.37Å; L20-L29 HydrophobicContact CD1-CD1 4.15Å; L20-L29 HydrophobicContact CD1-CD2 4.15Å; L20-L29 HydrophobicContact CD1-CG 4.45Å; L20-L29 HydrophobicContact CD2-CB 3.82Å; L20-L29 HydrophobicContact CD2-CD2 4.4Å; L20-L29 HydrophobicContact CG-CD2 4.4Å | ||
| 30 | I | 36.6 | Very low | 37.1 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 68% | 0.677 | 66% | 0.664 | S | S | * | * | trans | -87.6 | 130.5 | 171 | -51.1 | 177.6 | 0 | 0 | 0 | 108.4 | S28 D32 | S28-I30 PolarHBondContact O-N 3.44Å; I30-D32 PolarHBondContact O-N 2.73Å | ||
| 31 | R | 34.2 | Very low | 37.5 | Very low | 218 Ų | 218 | 131.4 Ų | 131.4 | 82% | 0.823 | 67% | 0.671 | S | S | * | * | trans | -69.7 | 107 | 175.7 | -159.4 | -179.8 | -167.4 | -167.9 | 2.9 | 107.7 | V33 | R31-V33 PolarHBondContact O-N 3.04Š| ||
| 32 | D | 37.3 | Very low | 37.9 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 41% | 0.406 | 68% | 0.679 | S | S | . | * | trans | -59.5 | 111.5 | 177.4 | -88.8 | -37.3 | 0 | 0 | 0 | 109.4 | C21 I30 Y34 | C21-D32 PolarHBondContact SG-OD2 2.77Å; I30-D32 PolarHBondContact O-N 2.73Å; D32-Y34 PolarHBondContact O-N 3.26Å | ||
| 33 | V | 38.5 | Very low | 38.5 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 83% | 0.83 | 69% | 0.688 | S | S | * | * | trans | -72.3 | -1.6 | 170.5 | -179 | 0 | 0 | 0 | 0 | 110.8 | R31 Q35 | R31-V33 PolarHBondContact O-N 3.04Å; V33-Q35 PolarHBondContact O-N 2.99Å | ||
| 34 | Y | 37.3 | Very low | 38.7 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | trans | -73.2 | 73.8 | 164.2 | -60 | -76.3 | 0 | 0 | 0 | 109.7 | D32 F36 | D32-Y34 PolarHBondContact O-N 3.26Å; Y34-F36 HydrophobicContact CD1-CE2 4.39Å; Y34-F36 HydrophobicContact CG-CE2 4.32Å; Y34-F36 PolarHBondContact O-N 3.03Å | ||
| 35 | Q | 31.7 | Very low | 38.4 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 85% | 0.846 | 66% | 0.661 | S | S | * | * | trans | -61.3 | 77 | 147.8 | -83.5 | -179.4 | 1.6 | 0 | 0 | 107.1 | V33 P37 | V33-Q35 PolarHBondContact O-N 2.99Å; Q35-P37 WeakPolarHBondContact O-CD 3.48Å; Q35-P37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | F | 33.5 | Very low | 38.7 | Very low | 165 Ų | 165 | 126 Ų | 126 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | trans | -55 | 118.2 | 147.8 | -77.3 | -82 | 0 | 0 | 0 | 104.4 | Y34 L38 | Y34-F36 HydrophobicContact CD1-CE2 4.39Å; Y34-F36 HydrophobicContact CG-CE2 4.32Å; Y34-F36 PolarHBondContact O-N 3.03Å; F36-L38 PolarHBondContact O-N 3.36Å | ||
| 37 | P | 36.1 | Very low | 39.1 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 60% | 0.597 | 65% | 0.645 | S | S | * | * | trans | -50.8 | 121.3 | 177.1 | 20.7 | -30.7 | 0 | 0 | 0 | 105.5 | Q35 S39 | Q35-P37 WeakPolarHBondContact O-CD 3.48Å; Q35-P37 VanDerWaalsContact O-N 3.13Å; P37-S39 PolarHBondContact O-N 3.46Å | ||
| 38 | L | 40 | Very low | 39.1 | Very low | 163 Ų | 163 | 122.3 Ų | 122.3 | 85% | 0.853 | 64% | 0.635 | S | S | * | * | trans | -35.2 | 108.4 | -169.1 | -77 | 101.1 | 0 | 0 | 0 | 108.3 | F36 P40 | F36-L38 PolarHBondContact O-N 3.36Å; L38-P40 WeakPolarHBondContact O-CD 3.49Å | ||
| 39 | S | 36.2 | Very low | 39.8 | Very low | 87 Ų | 87 | 119.7 Ų | 119.7 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | trans | -52.2 | 118.7 | 173.7 | 38.2 | 0 | 0 | 0 | 0 | 105 | P37 D41 | P37-S39 PolarHBondContact O-N 3.46Å; S39-D41 PolarHBondContact O-N 2.84Å; S39-D41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | P | 40.9 | Very low | 39.9 | Very low | 54 Ų | 54 | 116.4 Ų | 116.4 | 35% | 0.351 | 61% | 0.612 | S | S | . | * | trans | -54.8 | 127.8 | -169.2 | 19.3 | -31 | 0 | 0 | 0 | 106.8 | L38 I42 I66 | L38-P40 WeakPolarHBondContact O-CD 3.49Å; P40-I42 VanDerWaalsContact C-N 3.34Å; P40-I42 WeakPolarHBondContact O-CA 3.48Å; P40-I42 PolarHBondContact O-N 3.46Å; P40-I66 HydrophobicContact CB-CB 4.45Å; P40-I66 HydrophobicContact CB-CD1 4.36Å; P40-I66 HydrophobicContact CB-CG1 3.97Å; P40-I66 HydrophobicContact CB-CG2 3.6Å; P40-I66 HydrophobicContact CG-CB 4.4Å; P40-I66 HydrophobicContact CG-CD1 3.54Å; P40-I66 HydrophobicContact CG-CG1 3.71Å; P40-I66 HydrophobicContact CG-CG2 3.82Å | ||
| 41 | D | 40.5 | Very low | 40.6 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 42% | 0.417 | 63% | 0.625 | S | S | . | * | trans | -43.3 | 99 | -166.3 | -157.6 | -4.6 | 0 | 0 | 0 | 109 | S39 K43 N44 S45 | S39-D41 PolarHBondContact O-N 2.84Å; S39-D41 VanDerWaalsContact O-N 3.09Å; D41-K43 PolarHBondContact O-N 3.3Å; D41-N44 HydrophobicContact CB-CB 4.24Å; D41-N44 PolarHBondContact O-N 3Å; D41-N44 PolarHBondContact OD2-ND2 2.98Å; D41-S45 PolarHBondContact O-N 3.33Å | ||
| 42 | I | 43.6 | Very low | 41.2 | Very low | 136 Ų | 136 | 112.2 Ų | 112.2 | 70% | 0.697 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -23.8 | -173.9 | -66.4 | 171.1 | 0 | 0 | 0 | 108.6 | P40 N44 S45 | P40-I42 VanDerWaalsContact C-N 3.34Å; P40-I42 WeakPolarHBondContact O-CA 3.48Å; P40-I42 PolarHBondContact O-N 3.46Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 PolarHBondContact O-N 3.47Å; I42-S45 PolarHBondContact O-N 3.06Å |
| 43 | K | 45.2 | Very low | 41.6 | Very low | 183 Ų | 183 | 110.3 Ų | 110.3 | 80% | 0.796 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -24.7 | 173.8 | -62.1 | -170.3 | 175.5 | -171 | 0 | 114.3 | D41 | D41-K43 PolarHBondContact O-N 3.3Š|
| 44 | N | 40.3 | Very low | 42 | Very low | 117 Ų | 117 | 107.7 Ų | 107.7 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -5.3 | 177 | -58.4 | -24.1 | 0 | 0 | 0 | 112.8 | D41 I42 T46 | D41-N44 HydrophobicContact CB-CB 4.24Å; D41-N44 PolarHBondContact O-N 3Å; D41-N44 PolarHBondContact OD2-ND2 2.98Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 PolarHBondContact O-N 3.47Å; N44-T46 VanDerWaalsContact C-N 3.26Å; N44-T46 PolarHBondContact O-N 2.99Å |
| 45 | S | 41.5 | Very low | 42.7 | Very low | 64 Ų | 64 | 105.5 Ų | 105.5 | 45% | 0.448 | 60% | 0.598 | S | S | . | * | trans | -73.8 | 85.3 | 169 | -69.1 | 0 | 0 | 0 | 0 | 108.7 | D41 I42 L47 | D41-S45 PolarHBondContact O-N 3.33Å; I42-S45 PolarHBondContact O-N 3.06Å; S45-L47 PolarHBondContact O-N 3.04Å; S45-L47 VanDerWaalsContact O-N 3.1Å | ||
| 46 | T | 47.4 | Very low | 44 | Very low | 101 Ų | 101 | 102.1 Ų | 102.1 | 62% | 0.62 | 59% | 0.59 | S | S | * | * | trans | -62.3 | 113.4 | 170.1 | -50 | 0 | 0 | 0 | 0 | 108 | N44 N48 | N44-T46 VanDerWaalsContact C-N 3.26Å; N44-T46 PolarHBondContact O-N 2.99Å; T46-N48 VanDerWaalsContact C-N 3.28Å; T46-N48 PolarHBondContact O-N 3.32Å | ||
| 47 | L | 46.1 | Very low | 45 | Very low | 106 Ų | 106 | 97 Ų | 97 | 56% | 0.555 | 57% | 0.571 | S | S | * | * | trans | -63.9 | 96.8 | 162.6 | -83.2 | 164.8 | 0 | 0 | 0 | 106.8 | S45 A49 L61 F63 | S45-L47 PolarHBondContact O-N 3.04Å; S45-L47 VanDerWaalsContact O-N 3.1Å; L47-A49 PolarHBondContact O-N 2.74Å; L47-L61 HydrophobicContact CD2-CB 4.44Å; L47-L61 HydrophobicContact CD2-CD1 4.1Å; L47-L61 HydrophobicContact CD2-CD2 4.23Å; L47-L61 HydrophobicContact CD2-CG 4.5Å; L47-F63 HydrophobicContact CD2-CD1 4.37Å; L47-F63 HydrophobicContact CD2-CE1 3.62Å; L47-F63 HydrophobicContact CD2-CZ 4.13Å | ||
| 48 | N | 44.5 | Very low | 45.9 | Very low | 96 Ų | 96 | 97.6 Ų | 97.6 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | B | Isolated β-bridge | trans | -72.6 | 76.6 | 166.5 | -75.3 | -18.9 | 0 | 0 | 0 | 107.7 | T46 G50 | T46-N48 VanDerWaalsContact C-N 3.28Å; T46-N48 PolarHBondContact O-N 3.32Å; N48-G50 VanDerWaalsContact C-N 3.32Å; N48-G50 PolarHBondContact O-N 3.44Å |
| 49 | A | 46 | Very low | 46.7 | Very low | 44 Ų | 44 | 94.7 Ų | 94.7 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | trans | -64.6 | 103.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 105.2 | L47 V53 | L47-A49 PolarHBondContact O-N 2.74Å; A49-V53 HydrophobicContact CB-CB 4.29Å | ||
| 50 | G | 41.5 | Very low | 47.1 | Very low | 41 Ų | 41 | 94.3 Ų | 94.3 | 42% | 0.423 | 55% | 0.554 | S | S | . | * | trans | -52.7 | 153 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N48 G52 V53 | N48-G50 VanDerWaalsContact C-N 3.32Å; N48-G50 PolarHBondContact O-N 3.44Å; G50-G52 PolarHBondContact O-N 3.39Å; G50-V53 WeakPolarHBondContact O-CB 3.48Å; G50-V53 VanDerWaalsContact O-CG2 3.24Å; G50-V53 WeakPolarHBondContact O-CG2 3.35Å; G50-V53 PolarHBondContact O-N 2.9Å | ||
| 51 | D | 50.4 | Low | 47.6 | Very low | 178 Ų | 178 | 93.1 Ų | 93.1 | 95% | 0.952 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 120.2 | 179.7 | -69.7 | -37.2 | 0 | 0 | 0 | 110.8 | ||
| 52 | G | 47.5 | Very low | 48 | Very low | 84 Ų | 84 | 97.6 Ų | 97.6 | 87% | 0.866 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.9 | 8.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | G50 N54 | G50-G52 PolarHBondContact O-N 3.39Å; G52-N54 PolarHBondContact O-N 3.11Å |
| 53 | V | 44.2 | Very low | 48.4 | Very low | 35 Ų | 35 | 97.8 Ų | 97.8 | 21% | 0.212 | 56% | 0.556 | C | S | . | * | trans | -70.8 | 126.1 | 175.1 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | A49 G50 I55 Q60 L61 | A49-V53 HydrophobicContact CB-CB 4.29Å; G50-V53 WeakPolarHBondContact O-CB 3.48Å; G50-V53 VanDerWaalsContact O-CG2 3.24Å; G50-V53 WeakPolarHBondContact O-CG2 3.35Å; G50-V53 PolarHBondContact O-N 2.9Å; V53-I55 PolarHBondContact O-N 2.85Å; V53-Q60 HydrophobicContact CB-CB 4.48Å; V53-Q60 HydrophobicContact CG1-CB 3.42Å; V53-Q60 VanDerWaalsContact CG1-CB 3.42Å; V53-Q60 HydrophobicContact CG1-CG 4.48Å; V53-Q60 HydrophobicContact CG2-CB 4.37Å; V53-L61 HydrophobicContact CG1-CD2 4.23Å | ||
| 54 | N | 47.9 | Very low | 48 | Very low | 83 Ų | 83 | 93 Ų | 93 | 44% | 0.444 | 55% | 0.546 | S | S | . | . | trans | -74.4 | 109.2 | 173.2 | -174.9 | 0.4 | 0 | 0 | 0 | 109.4 | G52 T56 D57 | G52-N54 PolarHBondContact O-N 3.11Å; N54-T56 PolarHBondContact ND2-OG1 3.06Å; N54-T56 PolarHBondContact O-N 3.36Å; N54-T56 PolarHBondContact OD1-N 3.5Å; N54-T56 VanDerWaalsContact OD1-N 3.08Å; N54-T56 PolarHBondContact OD1-OG1 3.19Å; N54-D57 PolarHBondContact O-N 2.98Å | ||
| 55 | I | 52.5 | Low | 48.1 | Very low | 128 Ų | 128 | 93.2 Ų | 93.2 | 66% | 0.656 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -14.7 | 178.3 | 59.4 | 168.9 | 0 | 0 | 0 | 114.2 | V53 D57 | V53-I55 PolarHBondContact O-N 2.85Å; I55-D57 VanDerWaalsContact C-N 3.31Å |
| 56 | T | 58.2 | Low | 48.2 | Very low | 110 Ų | 110 | 95.4 Ų | 95.4 | 68% | 0.675 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -19 | 173 | 65.7 | 0 | 0 | 0 | 0 | 112.8 | N54 | N54-T56 PolarHBondContact ND2-OG1 3.06Å; N54-T56 PolarHBondContact O-N 3.36Å; N54-T56 PolarHBondContact OD1-N 3.5Å; N54-T56 VanDerWaalsContact OD1-N 3.08Å; N54-T56 PolarHBondContact OD1-OG1 3.19Å |
| 57 | D | 54.3 | Low | 47.4 | Very low | 58 Ų | 58 | 101.2 Ų | 101.2 | 31% | 0.31 | 57% | 0.572 | S | S | . | * | trans | -96.2 | 95.1 | 176.7 | -174 | -2.9 | 0 | 0 | 0 | 109.9 | N54 I55 S59 Q60 | N54-D57 PolarHBondContact O-N 2.98Å; I55-D57 VanDerWaalsContact C-N 3.31Å; D57-S59 VanDerWaalsContact CG-OG 3.25Å; D57-S59 PolarHBondContact O-N 3.45Å; D57-S59 VanDerWaalsContact O-N 3.1Å; D57-S59 WeakPolarHBondContact OD1-CB 3.3Å; D57-S59 PolarHBondContact OD1-N 3.28Å; D57-S59 VanDerWaalsContact OD1-N 3.13Å; D57-S59 PolarHBondContact OD1-OG 2.83Å; D57-S59 PolarHBondContact OD2-OG 2.79Å; D57-Q60 HydrophobicContact CB-CG 4.13Å; D57-Q60 PolarHBondContact O-N 3.37Å; D57-Q60 WeakPolarHBondContact OD2-CG 3.43Å; D57-Q60 PolarHBondContact OD2-NE2 2.98Å | ||
| 58 | V | 55.9 | Low | 46.9 | Very low | 104 Ų | 104 | 101.1 Ų | 101.1 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -58.4 | -25.4 | -178.4 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | Q60 L61 | V58-Q60 PolarHBondContact O-N 2.69Å; V58-L61 PolarHBondContact O-N 3.13Å |
| 59 | S | 55.8 | Low | 46.3 | Very low | 102 Ų | 102 | 101.3 Ų | 101.3 | 71% | 0.713 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -67.4 | -21.1 | 179.3 | 76.3 | 0 | 0 | 0 | 0 | 113.5 | D57 | D57-S59 VanDerWaalsContact CG-OG 3.25Å; D57-S59 PolarHBondContact O-N 3.45Å; D57-S59 VanDerWaalsContact O-N 3.1Å; D57-S59 WeakPolarHBondContact OD1-CB 3.3Å; D57-S59 PolarHBondContact OD1-N 3.28Å; D57-S59 VanDerWaalsContact OD1-N 3.13Å; D57-S59 PolarHBondContact OD1-OG 2.83Å; D57-S59 PolarHBondContact OD2-OG 2.79Å |
| 60 | Q | 44.5 | Very low | 45.6 | Very low | 78 Ų | 78 | 104.6 Ų | 104.6 | 36% | 0.364 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -87.9 | -11.5 | 179 | -60.4 | -177.7 | 24.2 | 0 | 0 | 113 | V53 D57 V58 K62 | V53-Q60 HydrophobicContact CB-CB 4.48Å; V53-Q60 HydrophobicContact CG1-CB 3.42Å; V53-Q60 VanDerWaalsContact CG1-CB 3.42Å; V53-Q60 HydrophobicContact CG1-CG 4.48Å; V53-Q60 HydrophobicContact CG2-CB 4.37Å; D57-Q60 HydrophobicContact CB-CG 4.13Å; D57-Q60 PolarHBondContact O-N 3.37Å; D57-Q60 WeakPolarHBondContact OD2-CG 3.43Å; D57-Q60 PolarHBondContact OD2-NE2 2.98Å; V58-Q60 PolarHBondContact O-N 2.69Å; Q60-K62 PolarHBondContact O-N 2.82Å |
| 61 | L | 51.2 | Low | 45.4 | Very low | 29 Ų | 29 | 111.9 Ų | 111.9 | 15% | 0.152 | 62% | 0.623 | C | S | . | * | trans | -81.1 | 106.3 | -180 | -60 | 178.4 | 0 | 0 | 0 | 109.8 | L47 V53 V58 F63 | L47-L61 HydrophobicContact CD2-CB 4.44Å; L47-L61 HydrophobicContact CD2-CD1 4.1Å; L47-L61 HydrophobicContact CD2-CD2 4.23Å; L47-L61 HydrophobicContact CD2-CG 4.5Å; V53-L61 HydrophobicContact CG1-CD2 4.23Å; V58-L61 PolarHBondContact O-N 3.13Å; L61-F63 HydrophobicContact CB-CE2 4.15Å; L61-F63 HydrophobicContact CB-CZ 4.19Å | ||
| 62 | K | 49.7 | Very low | 44.5 | Very low | 172 Ų | 172 | 110.4 Ų | 110.4 | 75% | 0.748 | 62% | 0.615 | S | S | * | * | B | Isolated β-bridge | trans | -86.7 | 112.7 | 172.2 | -68 | -175.6 | -179.7 | 179.7 | 0 | 109.6 | Q60 | Q60-K62 PolarHBondContact O-N 2.82Å |
| 63 | F | 51.3 | Low | 44.2 | Very low | 140 Ų | 140 | 111.8 Ų | 111.8 | 61% | 0.614 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -85 | 129.6 | 170.3 | -58.1 | -83 | 0 | 0 | 0 | 109.4 | L47 L61 | L47-F63 HydrophobicContact CD2-CD1 4.37Å; L47-F63 HydrophobicContact CD2-CE1 3.62Å; L47-F63 HydrophobicContact CD2-CZ 4.13Å; L61-F63 HydrophobicContact CB-CE2 4.15Å; L61-F63 HydrophobicContact CB-CZ 4.19Å |
| 64 | S | 38.4 | Very low | 43.7 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 58% | 0.58 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138.8 | 170.1 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | I66 | S64-I66 PolarHBondContact O-N 3.21Š|
| 65 | P | 40.8 | Very low | 43.2 | Very low | 122 Ų | 122 | 119 Ų | 119 | 79% | 0.792 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 129.5 | 175.5 | -21.4 | 31.3 | 0 | 0 | 0 | 110.6 | Y67 | P65-Y67 PolarHBondContact O-N 3.39Š|
| 66 | I | 44.2 | Very low | 42.5 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 56% | 0.564 | 65% | 0.653 | S | S | * | * | trans | -69.2 | 113.1 | 173.6 | -63.1 | 143.5 | 0 | 0 | 0 | 106.8 | P40 S64 S68 | P40-I66 HydrophobicContact CB-CB 4.45Å; P40-I66 HydrophobicContact CB-CD1 4.36Å; P40-I66 HydrophobicContact CB-CG1 3.97Å; P40-I66 HydrophobicContact CB-CG2 3.6Å; P40-I66 HydrophobicContact CG-CB 4.4Å; P40-I66 HydrophobicContact CG-CD1 3.54Å; P40-I66 HydrophobicContact CG-CG1 3.71Å; P40-I66 HydrophobicContact CG-CG2 3.82Å; S64-I66 PolarHBondContact O-N 3.21Å; I66-S68 PolarHBondContact O-N 3.16Å | ||
| 67 | Y | 30.5 | Very low | 41.2 | Very low | 223 Ų | 223 | 119.6 Ų | 119.6 | 88% | 0.875 | 66% | 0.66 | S | S | * | * | trans | -59.7 | 107 | 169.6 | -98.3 | -91.6 | 0 | 0 | 0 | 108.7 | P65 P69 | P65-Y67 PolarHBondContact O-N 3.39Å; Y67-P69 VanDerWaalsContact O-CD 3.3Å; Y67-P69 WeakPolarHBondContact O-CD 3.26Å | ||
| 68 | S | 35 | Very low | 40.2 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 72% | 0.72 | 67% | 0.674 | S | S | * | * | trans | -78.3 | 112.6 | 168.1 | 26.6 | 0 | 0 | 0 | 0 | 108.4 | I66 S70 | I66-S68 PolarHBondContact O-N 3.16Å; S68-S70 PolarHBondContact O-N 2.85Å | ||
| 69 | P | 33.2 | Very low | 39.2 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | trans | -64.6 | 136.8 | 178.9 | 23.5 | -30.2 | 0 | 0 | 0 | 110.8 | Y67 Y71 | Y67-P69 VanDerWaalsContact O-CD 3.3Å; Y67-P69 WeakPolarHBondContact O-CD 3.26Å; P69-Y71 PolarHBondContact O-N 2.96Å | ||
| 70 | S | 31.6 | Very low | 38 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | trans | -67.2 | 112.2 | 176.1 | 45.6 | 0 | 0 | 0 | 0 | 110.6 | S68 N72 | S68-S70 PolarHBondContact O-N 2.85Å; S70-N72 PolarHBondContact O-N 3.21Å | ||
| 71 | Y | 37.3 | Very low | 37.4 | Very low | 194 Ų | 194 | 125.7 Ų | 125.7 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | trans | -68.1 | 117.4 | 178.8 | -69.4 | -90.2 | 0 | 0 | 0 | 111.3 | P69 S73 | P69-Y71 PolarHBondContact O-N 2.96Å; Y71-S73 PolarHBondContact O-N 3.33Å | ||
| 72 | N | 30.9 | Very low | 36.3 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | -77.4 | 111 | 161.1 | -79.4 | -19.5 | 0 | 0 | 0 | 108.2 | S70 S74 | S70-N72 PolarHBondContact O-N 3.21Å; N72-S74 PolarHBondContact O-N 2.79Å | ||
| 73 | S | 40.1 | Very low | 35.7 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -70.5 | 16.5 | -172.3 | 62.9 | 0 | 0 | 0 | 0 | 115.5 | Y71 | Y71-S73 PolarHBondContact O-N 3.33Š|
| 74 | S | 35.1 | Very low | 34.5 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -85.8 | -4.1 | -177.2 | 70.7 | 0 | 0 | 0 | 0 | 114.2 | N72 | N72-S74 PolarHBondContact O-N 2.79Š|
| 75 | L | 35.9 | Very low | 34.4 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -98.2 | 3.6 | -174.6 | -142.9 | 106.7 | 0 | 0 | 0 | 114.4 | ||
| 76 | V | 38.2 | Very low | 34 | Very low | 97 Ų | 97 | 132 Ų | 132 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | trans | -115.6 | 71.9 | -176.8 | -154.4 | 0 | 0 | 0 | 0 | 110 | N78 | V76-N78 VanDerWaalsContact C-N 3.25Å; V76-N78 WeakPolarHBondContact CG1-ND2 3.32Å; V76-N78 WeakPolarHBondContact CG1-OD1 3.45Å; V76-N78 PolarHBondContact O-N 3.35Å | ||
| 77 | D | 30.4 | Very low | 33.3 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -68.6 | 85.9 | 163.1 | -108.1 | -21.3 | 0 | 0 | 0 | 108.3 | S79 | D77-S79 PolarHBondContact O-N 3.01Å; D77-S79 VanDerWaalsContact O-N 3.12Å | ||
| 78 | N | 35.2 | Very low | 33.3 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | trans | -81.3 | 37.6 | 177.7 | -84.7 | -25.8 | 0 | 0 | 0 | 112.5 | V76 G80 | V76-N78 VanDerWaalsContact C-N 3.25Å; V76-N78 WeakPolarHBondContact CG1-ND2 3.32Å; V76-N78 WeakPolarHBondContact CG1-OD1 3.45Å; V76-N78 PolarHBondContact O-N 3.35Å; N78-G80 PolarHBondContact O-N 3.1Å | ||
| 79 | S | 33.8 | Very low | 33.1 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 10.5 | -176.9 | 69.7 | 0 | 0 | 0 | 0 | 114.6 | D77 | D77-S79 PolarHBondContact O-N 3.01Å; D77-S79 VanDerWaalsContact O-N 3.12Å |
| 80 | G | 30.4 | Very low | 32.8 | Very low | 64 Ų | 64 | 127.3 Ų | 127.3 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | -0.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | N78 D82 | N78-G80 PolarHBondContact O-N 3.1Å; G80-D82 PolarHBondContact O-N 3.45Å; G80-D82 VanDerWaalsContact O-N 3.16Å |
| 81 | F | 31.4 | Very low | 32.6 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | trans | -91.1 | 77 | 178.4 | -69.2 | -76.8 | 0 | 0 | 0 | 110.3 | L83 | F81-L83 PolarHBondContact O-N 3.01Š| ||
| 82 | D | 30 | Very low | 32 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -69.5 | 106.5 | 163.4 | -113.1 | -24.2 | 0 | 0 | 0 | 108.2 | G80 V84 | G80-D82 PolarHBondContact O-N 3.45Å; G80-D82 VanDerWaalsContact O-N 3.16Å; D82-V84 VanDerWaalsContact C-N 3.28Å; D82-V84 PolarHBondContact O-N 2.92Å | ||
| 83 | L | 36.5 | Very low | 31.7 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -69.3 | 83.3 | 174.9 | -157.4 | 104.1 | 0 | 0 | 0 | 108.2 | F81 D85 | F81-L83 PolarHBondContact O-N 3.01Å; L83-D85 HydrophobicContact CD2-CB 3.88Å; L83-D85 HydrophobicContact CG-CB 4.34Å; L83-D85 PolarHBondContact O-N 2.89Å | ||
| 84 | V | 26 | Very low | 31 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -77.5 | 73 | 166.8 | -171.3 | 0 | 0 | 0 | 0 | 106.8 | D82 | D82-V84 VanDerWaalsContact C-N 3.28Å; D82-V84 PolarHBondContact O-N 2.92Å | ||
| 85 | D | 36.6 | Very low | 30.5 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | -71.9 | 132.9 | 176.8 | -157.6 | 1.7 | 0 | 0 | 0 | 109.7 | L83 S87 | L83-D85 HydrophobicContact CD2-CB 3.88Å; L83-D85 HydrophobicContact CG-CB 4.34Å; L83-D85 PolarHBondContact O-N 2.89Å; D85-S87 PolarHBondContact O-N 2.87Å | ||
| 86 | S | 32.4 | Very low | 30 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -87.3 | 96.5 | -172.8 | 178.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 87 | S | 29.1 | Very low | 29.4 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -172.3 | 84.6 | 146.7 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | D85 | D85-S87 PolarHBondContact O-N 2.87Š| ||
| 88 | D | 29.7 | Very low | 29.4 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | -161.2 | 118.6 | 128.6 | -105.2 | -21.5 | 0 | 0 | 0 | 111.1 | S90 | D88-S90 PolarHBondContact O-N 3.41Š| |||
| 89 | A | 30.8 | Very low | 28.8 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 94% | 0.942 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -70.3 | 75 | 149.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||
| 90 | S | 26.7 | Very low | 28.4 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 57% | 0.566 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -176.9 | 113.8 | 162.2 | 145.1 | 0 | 0 | 0 | 0 | 110.3 | D88 G92 | D88-S90 PolarHBondContact O-N 3.41Å; S90-G92 PolarHBondContact O-N 3.25Å |
| 91 | F | 27.4 | Very low | 28.1 | Very low | 225 Ų | 225 | 136.8 Ų | 136.8 | 99% | 0.987 | 79% | 0.79 | S | S | * | * | trans | -58.8 | 106.1 | 167.4 | -82.8 | -98.9 | 0 | 0 | 0 | 109.7 | ||||
| 92 | G | 25.8 | Very low | 27.8 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -139.3 | 104 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S90 | S90-G92 PolarHBondContact O-N 3.25Š| ||
| 93 | H | 25.2 | Very low | 27.7 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -29 | 135.8 | 173.1 | -74.3 | -81.7 | 0 | 0 | 0 | 119.1 | ||||
| 94 | R | 23.8 | Very low | 27.4 | Very low | 220 Ų | 220 | 136.1 Ų | 136.1 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | 71 | 119.9 | 127.6 | -68.4 | -179.7 | 155 | -165.3 | -6.5 | 121.5 | |||||
| 95 | S | 25.6 | Very low | 27.5 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | 54.8 | 116.3 | 133.9 | 65.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 96 | S | 24.5 | Very low | 27.4 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | 173.1 | 100.6 | 126.1 | 44.7 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 97 | L | 26.9 | Very low | 27.2 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | 44.9 | 105.7 | 93.3 | -92.5 | 111.6 | 0 | 0 | 0 | 115.7 | |||||
| 98 | L | 29.2 | Very low | 27.2 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | 59.5 | 81.5 | 148 | -68.5 | 99.2 | 0 | 0 | 0 | 116.8 | ||||
| 99 | G | 23.4 | Very low | 27.4 | Very low | 73 Ų | 73 | 144.1 Ų | 144.1 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -133.7 | 114.6 | 164 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 100 | N | 24.2 | Very low | 27.3 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | -51.8 | 137.4 | 168 | -58.1 | -34.2 | 0 | 0 | 0 | 111.1 | ||||
| 101 | S | 25.3 | Very low | 27.4 | Very low | 111 Ų | 111 | 151.5 Ų | 151.5 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -161 | 122.6 | 143.4 | 57.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 102 | D | 24.2 | Very low | 27.6 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -48.4 | 130.3 | 158.7 | -55.4 | -63.2 | 0 | 0 | 0 | 111.3 | ||||
| 103 | E | 29.1 | Very low | 27.6 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | 158.7 | 108.9 | 127.6 | -85.6 | -161.4 | 161.8 | 0 | 0 | 109.9 | M105 | E103-M105 PolarHBondContact O-N 3.4Š| |||
| 104 | T | 29.4 | Very low | 27.8 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | -60.9 | 104.9 | 172.3 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 105 | M | 28.3 | Very low | 28.1 | Very low | 185 Ų | 185 | 147 Ų | 147 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -119.7 | 95 | 163.4 | -153.2 | 176 | 178.7 | 0 | 0 | 109.3 | E103 | E103-M105 PolarHBondContact O-N 3.4Š| ||
| 106 | Y | 33.7 | Very low | 28.3 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | -66 | 131.7 | 174 | -74.4 | -88.8 | 0 | 0 | 0 | 110.4 | ||||
| 107 | P | 30.1 | Very low | 28.6 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -71 | 136.4 | 174.5 | 26.1 | -30.5 | 0 | 0 | 0 | 112 | I109 | P107-I109 PolarHBondContact O-N 3.04Š| ||
| 108 | N | 27.2 | Very low | 28.8 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | trans | -44.9 | 110 | -179 | -127.1 | -32.2 | 0 | 0 | 0 | 115.3 | L110 | N108-L110 WeakPolarHBondContact OD1-CB 3.25Å; N108-L110 WeakPolarHBondContact OD1-CD1 3.24Å | ||
| 109 | I | 34 | Very low | 28.7 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -115 | 49.5 | 153.5 | -45.9 | 177.7 | 0 | 0 | 0 | 108.7 | P107 K111 | P107-I109 PolarHBondContact O-N 3.04Å; I109-K111 PolarHBondContact O-N 3.21Å | ||
| 110 | L | 28.7 | Very low | 29 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 73.9 | 149.8 | -81.7 | 164.1 | 0 | 0 | 0 | 108.8 | N108 | N108-L110 WeakPolarHBondContact OD1-CB 3.25Å; N108-L110 WeakPolarHBondContact OD1-CD1 3.24Å |
| 111 | K | 30.1 | Very low | 29.1 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.8 | 6.4 | 157.7 | -79.8 | -162.7 | -179.3 | 174 | 0 | 114.6 | I109 | I109-K111 PolarHBondContact O-N 3.21Š|
| 112 | L | 30.4 | Very low | 29 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -100.8 | 103.5 | 165.5 | -81.9 | 156.7 | 0 | 0 | 0 | 108.2 | G114 | L112-G114 PolarHBondContact O-N 3.07Š|
| 113 | K | 26.2 | Very low | 29.2 | Very low | 209 Ų | 209 | 150.5 Ų | 150.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -64.7 | 86.2 | 174.3 | -162.9 | 171.3 | -177 | 178.9 | 0 | 107.8 | I115 | K113-I115 PolarHBondContact O-N 2.83Š| ||
| 114 | G | 29.1 | Very low | 29.6 | Very low | 64 Ų | 64 | 146.8 Ų | 146.8 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61 | 127.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | L112 | L112-G114 PolarHBondContact O-N 3.07Š|
| 115 | I | 29.6 | Very low | 29.4 | Very low | 160 Ų | 160 | 150 Ų | 150 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 122.2 | 174.7 | -61.8 | 164.6 | 0 | 0 | 0 | 106.6 | K113 E117 | K113-I115 PolarHBondContact O-N 2.83Å; I115-E117 PolarHBondContact O-N 3.1Å |
| 116 | P | 30.5 | Very low | 29.4 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 125.1 | -173.9 | 23.2 | -30.2 | 0 | 0 | 0 | 111.2 | I118 | P116-I118 PolarHBondContact O-N 2.64Š|
| 117 | E | 30.3 | Very low | 29 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 118.7 | 168.6 | -69.3 | 178.6 | 165.1 | 0 | 0 | 109.3 | I115 S119 | I115-E117 PolarHBondContact O-N 3.1Å; E117-S119 PolarHBondContact O-N 3.29Å |
| 118 | I | 32.7 | Very low | 28.9 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -77.3 | 95.8 | 179 | -56.4 | 167.5 | 0 | 0 | 0 | 107.3 | P116 I120 | P116-I118 PolarHBondContact O-N 2.64Å; I118-I120 HydrophobicContact CG2-CG1 4.16Å; I118-I120 PolarHBondContact O-N 2.81Å | ||
| 119 | S | 25.7 | Very low | 28.8 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -68 | 103.5 | 166.2 | 162.5 | 0 | 0 | 0 | 0 | 109.2 | E117 S121 | E117-S119 PolarHBondContact O-N 3.29Å; S119-S121 PolarHBondContact O-N 2.89Å | ||
| 120 | I | 29.3 | Very low | 28.5 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -83.2 | 75 | 170.3 | -55 | 166.5 | 0 | 0 | 0 | 107.6 | I118 | I118-I120 HydrophobicContact CG2-CG1 4.16Å; I118-I120 PolarHBondContact O-N 2.81Å | ||
| 121 | S | 26.9 | Very low | 28.4 | Very low | 94 Ų | 94 | 151.6 Ų | 151.6 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | -88.9 | 121.2 | 162.9 | 54.9 | 0 | 0 | 0 | 0 | 108.5 | S119 | S119-S121 PolarHBondContact O-N 2.89Š| ||
| 122 | H | 22.9 | Very low | 28.3 | Very low | 168 Ų | 168 | 153 Ų | 153 | 78% | 0.778 | 81% | 0.806 | S | S | * | * | trans | -49.7 | 166.2 | 173 | -77.4 | -76.5 | 0 | 0 | 0 | 114.3 | ||||
| 123 | I | 28.6 | Very low | 28.1 | Very low | 160 Ų | 160 | 150 Ų | 150 | 82% | 0.821 | 80% | 0.798 | S | S | * | * | trans | 119.4 | 138.7 | 147 | -55.5 | 154 | 0 | 0 | 0 | 113.2 | ||||
| 124 | P | 37.8 | Very low | 28 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | -129.7 | -176.3 | -68.9 | 41.6 | -21 | 0 | 0 | 0 | 111.6 | S126 | P124-S126 PolarHBondContact O-N 3.44Š| |||
| 125 | E | 25.1 | Very low | 27.8 | Very low | 191 Ų | 191 | 157 Ų | 157 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -57.7 | 126.8 | 170.4 | -61.5 | 169.3 | 157.4 | 0 | 0 | 112.5 | ||||
| 126 | S | 27.7 | Very low | 27.7 | Very low | 114 Ų | 114 | 154.4 Ų | 154.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -141.8 | 109.2 | 149.8 | 69.2 | 0 | 0 | 0 | 0 | 110 | P124 | P124-S126 PolarHBondContact O-N 3.44Š| ||
| 127 | E | 25.2 | Very low | 27.8 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -54.2 | 128.6 | 163.2 | -54.9 | 174.3 | 129.8 | 0 | 0 | 110.4 | ||||
| 128 | Q | 28.8 | Very low | 27.8 | Very low | 198 Ų | 198 | 152.8 Ų | 152.8 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -162.2 | 124.4 | 140.2 | -115.9 | 172.6 | 44 | 0 | 0 | 112.3 | ||||
| 129 | S | 24.5 | Very low | 27.4 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -63 | 145.3 | 176.6 | -40.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 130 | L | 28.2 | Very low | 27.6 | Very low | 166 Ų | 166 | 154.7 Ų | 154.7 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -153.2 | 105.3 | 138.5 | -143.7 | 88.5 | 0 | 0 | 0 | 111.1 | ||||
| 131 | E | 26.9 | Very low | 27.8 | Very low | 187 Ų | 187 | 151.2 Ų | 151.2 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -56.5 | 129.3 | 154.5 | -72.6 | 179.6 | 122 | 0 | 0 | 110.3 | ||||
| 132 | R | 27.3 | Very low | 28.4 | Very low | 232 Ų | 232 | 153.9 Ų | 153.9 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -169.6 | 106.7 | 139 | -109.6 | 179.8 | -178.3 | 176.3 | 2.2 | 108.3 | ||||
| 133 | S | 27.3 | Very low | 29.2 | Very low | 92 Ų | 92 | 151.5 Ų | 151.5 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | 74.8 | 107.2 | 88.8 | 174.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 134 | R | 23.9 | Very low | 29.4 | Very low | 220 Ų | 220 | 151.2 Ų | 151.2 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | 77 | 109 | 138.2 | -68.2 | 177.7 | 176.8 | -177.2 | 0.9 | 119.1 | ||||
| 135 | K | 24.8 | Very low | 29.2 | Very low | 201 Ų | 201 | 151.8 Ų | 151.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | 69.4 | 101.1 | 127.8 | -67.9 | -176.4 | 175.4 | -175.2 | 0 | 117.7 | |||||
| 136 | S | 26.6 | Very low | 29.8 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -141.5 | 134 | 130.5 | 60.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 137 | P | 34 | Very low | 30.1 | Very low | 127 Ų | 127 | 150 Ų | 150 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -104.6 | 63.4 | 177.7 | 37.7 | -28.7 | 0 | 0 | 0 | 110.5 | ||
| 138 | T | 28.7 | Very low | 30.6 | Very low | 137 Ų | 137 | 149.7 Ų | 149.7 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -169.2 | 94.9 | 157.4 | -13.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 139 | G | 25.8 | Very low | 30.7 | Very low | 66 Ų | 66 | 148.9 Ų | 148.9 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | trans | 178.7 | 63.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | S141 | G139-S141 PolarHBondContact O-N 3.45Š| ||
| 140 | F | 28.3 | Very low | 31.1 | Very low | 224 Ų | 224 | 153.4 Ų | 153.4 | 98% | 0.982 | 76% | 0.757 | S | S | * | * | trans | -61.7 | 89.1 | 157.3 | -74.7 | -84.4 | 0 | 0 | 0 | 106.3 | ||||
| 141 | S | 35.5 | Very low | 31.5 | Very low | 80 Ų | 80 | 150.9 Ų | 150.9 | 56% | 0.559 | 75% | 0.754 | S | S | * | * | trans | -102.4 | 110.1 | 162.4 | -178.4 | 0 | 0 | 0 | 0 | 105.4 | G139 N143 | G139-S141 PolarHBondContact O-N 3.45Å; S141-N143 PolarHBondContact O-N 3.39Å | ||
| 142 | E | 38.1 | Very low | 31.8 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -47.4 | 4.2 | -179.9 | -156.8 | 171.4 | 178.4 | 0 | 0 | 115.9 | E145 | E142-E145 PolarHBondContact O-N 2.79Š|
| 143 | N | 39.1 | Very low | 32.2 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -79.7 | -18.4 | -174.7 | -66.6 | -13 | 0 | 0 | 0 | 113.6 | S141 | S141-N143 PolarHBondContact O-N 3.39Š|
| 144 | D | 33.7 | Very low | 32.5 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -85.1 | -9.9 | 173.8 | -79.5 | -12.4 | 0 | 0 | 0 | 113.4 | ||
| 145 | E | 34 | Very low | 33.2 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 58% | 0.579 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -15.3 | -178.5 | -146.9 | -179.6 | 172.2 | 0 | 0 | 113.5 | E142 | E142-E145 PolarHBondContact O-N 2.79Š|
| 146 | I | 36.6 | Very low | 33.9 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 45% | 0.446 | 74% | 0.737 | S | S | . | * | G | 310 helix | trans | -79.4 | -25.4 | -175.9 | -61.2 | 169.5 | 0 | 0 | 0 | 111.9 | K148 R149 | I146-K148 PolarHBondContact O-N 2.8Å; I146-K148 VanDerWaalsContact O-N 3.1Å; I146-R149 PolarHBondContact O-N 3.28Å |
| 147 | E | 35.7 | Very low | 34.4 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -65 | -14.8 | 177.4 | -107.8 | -175 | 174.4 | 0 | 0 | 113.8 | ||
| 148 | K | 34.3 | Very low | 34.9 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 79% | 0.787 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -96.4 | -4.7 | 177.2 | -75.6 | -175.1 | 178.4 | 176.5 | 0 | 115.5 | I146 | I146-K148 PolarHBondContact O-N 2.8Å; I146-K148 VanDerWaalsContact O-N 3.1Å |
| 149 | R | 31.9 | Very low | 35.5 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 69% | 0.687 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -90.4 | -1.9 | -173.4 | -72 | -165 | -179.5 | -171.7 | 4.8 | 115.9 | I146 | I146-R149 PolarHBondContact O-N 3.28Š|
| 150 | Y | 32.6 | Very low | 36.6 | Very low | 208 Ų | 208 | 139.1 Ų | 139.1 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -90.5 | 11.5 | 176.5 | -74.8 | -75.9 | 0 | 0 | 0 | 115.4 | ||
| 151 | S | 35.5 | Very low | 37.9 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -110.7 | 20.3 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 114.8 | D153 | S151-D153 PolarHBondContact O-N 2.9Å; S151-D153 VanDerWaalsContact O-N 3.13Å |
| 152 | S | 33.2 | Very low | 38.9 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | trans | -86 | 70.4 | 163.3 | -53.1 | 0 | 0 | 0 | 0 | 108.5 | T154 | S152-T154 PolarHBondContact O-N 3.48Š| ||
| 153 | D | 36.3 | Very low | 40 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 67% | 0.668 | S | S | * | * | trans | -44.9 | 106.4 | 150.6 | -112.6 | -26.9 | 0 | 0 | 0 | 104.7 | S151 Q155 | S151-D153 PolarHBondContact O-N 2.9Å; S151-D153 VanDerWaalsContact O-N 3.13Å; D153-Q155 PolarHBondContact O-N 3.38Å | ||
| 154 | T | 33.9 | Very low | 41.1 | Very low | 125 Ų | 125 | 130 Ų | 130 | 77% | 0.767 | 66% | 0.661 | S | S | * | * | trans | -73.1 | 76.7 | 175.8 | 24.6 | 0 | 0 | 0 | 0 | 104.8 | S152 K156 | S152-T154 PolarHBondContact O-N 3.48Å; T154-K156 PolarHBondContact O-N 2.87Å | ||
| 155 | Q | 39.4 | Very low | 42.6 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | trans | -35.2 | 99.1 | 147.9 | -88.2 | -178 | -15.5 | 0 | 0 | 104.7 | D153 Q157 | D153-Q155 PolarHBondContact O-N 3.38Å; Q155-Q157 HydrophobicContact CB-CG 4.27Å; Q155-Q157 PolarHBondContact O-N 2.79Å | ||
| 156 | K | 39 | Very low | 43.9 | Very low | 193 Ų | 193 | 128 Ų | 128 | 84% | 0.839 | 65% | 0.645 | S | S | * | * | trans | -66.9 | 75.8 | 159.7 | -70.9 | -178.9 | -178.5 | 175.5 | 0 | 104 | T154 V158 | T154-K156 PolarHBondContact O-N 2.87Å; K156-V158 PolarHBondContact O-N 3.15Å | ||
| 157 | Q | 37.4 | Very low | 45.1 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | trans | -48.6 | 113.3 | 161.4 | -73.7 | -178.2 | 3.9 | 0 | 0 | 103.5 | Q155 T159 | Q155-Q157 HydrophobicContact CB-CG 4.27Å; Q155-Q157 PolarHBondContact O-N 2.79Å; Q157-T159 PolarHBondContact O-N 2.82Å | ||
| 158 | V | 43.7 | Very low | 46.4 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 53% | 0.533 | 64% | 0.635 | S | S | . | * | trans | -64.8 | 84.1 | 168.3 | 177.2 | 0 | 0 | 0 | 0 | 103.5 | K156 L162 L163 | K156-V158 PolarHBondContact O-N 3.15Å; V158-L162 HydrophobicContact CB-CD2 4.35Å; V158-L162 HydrophobicContact CG1-CB 4.04Å; V158-L162 HydrophobicContact CG1-CD2 4.06Å; V158-L162 HydrophobicContact CG1-CG 4.39Å; V158-L162 HydrophobicContact CG2-CD2 4.12Å; V158-L163 HydrophobicContact CG1-CB 4.15Å | ||
| 159 | T | 40.7 | Very low | 47.8 | Very low | 76 Ų | 76 | 123 Ų | 123 | 47% | 0.466 | 62% | 0.622 | S | S | . | * | trans | -53.2 | 144.4 | 172 | 37.4 | 0 | 0 | 0 | 0 | 106 | Q157 N161 L162 | Q157-T159 PolarHBondContact O-N 2.82Å; T159-N161 CarbonylContact O-C 3.57Å; T159-N161 PolarHBondContact O-N 3.06Å; T159-L162 WeakPolarHBondContact O-CB 3.41Å; T159-L162 PolarHBondContact O-N 3.3Å | ||
| 160 | P | 49.8 | Very low | 49.1 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -51.4 | -23.3 | 178.4 | 14.8 | -27.8 | 0 | 0 | 0 | 112.4 | L164 | P160-L164 WeakPolarHBondContact O-CB 2.82Å; P160-L164 PolarHBondContact O-N 2.97Å |
| 161 | N | 55.5 | Low | 50.6 | Low | 91 Ų | 91 | 116.1 Ų | 116.1 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.6 | -40.2 | 170.8 | -146.8 | -54.1 | 0 | 0 | 0 | 113.9 | T159 R165 | T159-N161 CarbonylContact O-C 3.57Å; T159-N161 PolarHBondContact O-N 3.06Å; N161-R165 WeakPolarHBondContact O-CB 3.5Å; N161-R165 VanDerWaalsContact O-CG 3.23Å; N161-R165 WeakPolarHBondContact O-CG 3.2Å; N161-R165 PolarHBondContact O-N 2.91Å; N161-R165 PolarHBondContact OD1-NE 3.08Å |
| 162 | L | 56.6 | Low | 51.9 | Low | 80 Ų | 80 | 118.8 Ų | 118.8 | 42% | 0.419 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.3 | -44.2 | 176.8 | -171 | 71.4 | 0 | 0 | 0 | 111.1 | V158 T159 L164 R165 T166 | V158-L162 HydrophobicContact CB-CD2 4.35Å; V158-L162 HydrophobicContact CG1-CB 4.04Å; V158-L162 HydrophobicContact CG1-CD2 4.06Å; V158-L162 HydrophobicContact CG1-CG 4.39Å; V158-L162 HydrophobicContact CG2-CD2 4.12Å; T159-L162 WeakPolarHBondContact O-CB 3.41Å; T159-L162 PolarHBondContact O-N 3.3Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 2.82Å; L162-R165 WeakPolarHBondContact O-CB 3.21Å; L162-R165 PolarHBondContact O-N 2.9Å; L162-T166 PolarHBondContact O-N 3.35Å; L162-T166 PolarHBondContact O-OG1 2.92Å |
| 163 | L | 62.1 | Low | 53 | Low | 115 Ų | 115 | 119.1 Ų | 119.1 | 60% | 0.602 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.2 | -40.7 | 177.2 | -167 | 136.9 | 0 | 0 | 0 | 111.4 | V158 T166 K167 | V158-L163 HydrophobicContact CG1-CB 4.15Å; L163-T166 PolarHBondContact O-N 3.04Å; L163-K167 WeakPolarHBondContact O-CB 3.06Å; L163-K167 PolarHBondContact O-N 3.1Å |
| 164 | L | 61.7 | Low | 54 | Low | 94 Ų | 94 | 114 Ų | 114 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -39.9 | 173.2 | -171.9 | 65.8 | 0 | 0 | 0 | 112.1 | P160 L162 K167 N168 | P160-L164 WeakPolarHBondContact O-CB 2.82Å; P160-L164 PolarHBondContact O-N 2.97Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 2.82Å; L164-K167 PolarHBondContact O-N 2.83Å; L164-N168 WeakPolarHBondContact O-CB 3.28Å; L164-N168 VanDerWaalsContact O-CG 3.24Å; L164-N168 PolarHBondContact O-N 3.25Å; L164-N168 PolarHBondContact O-ND2 2.86Å |
| 165 | R | 64.1 | Low | 54.8 | Low | 164 Ų | 164 | 112.6 Ų | 112.6 | 62% | 0.619 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.2 | -45.4 | 174 | -79.8 | 176.8 | -168.7 | -170.2 | -1.3 | 111.8 | N161 L162 K167 N168 F169 | N161-R165 WeakPolarHBondContact O-CB 3.5Å; N161-R165 VanDerWaalsContact O-CG 3.23Å; N161-R165 WeakPolarHBondContact O-CG 3.2Å; N161-R165 PolarHBondContact O-N 2.91Å; N161-R165 PolarHBondContact OD1-NE 3.08Å; L162-R165 WeakPolarHBondContact O-CB 3.21Å; L162-R165 PolarHBondContact O-N 2.9Å; R165-K167 VanDerWaalsContact C-N 3.33Å; R165-K167 PolarHBondContact O-N 3.22Å; R165-N168 PolarHBondContact O-N 3.03Å; R165-F169 VanDerWaalsContact O-CB 3.26Å; R165-F169 WeakPolarHBondContact O-CB 3.08Å; R165-F169 PolarHBondContact O-N 2.89Å |
| 166 | T | 61.8 | Low | 55.2 | Low | 72 Ų | 72 | 110.7 Ų | 110.7 | 44% | 0.442 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.2 | -43.1 | 175.8 | -54.8 | 0 | 0 | 0 | 0 | 110.4 | L162 L163 N168 F169 M170 | L162-T166 PolarHBondContact O-N 3.35Å; L162-T166 PolarHBondContact O-OG1 2.92Å; L163-T166 PolarHBondContact O-N 3.04Å; T166-N168 PolarHBondContact O-N 3.17Å; T166-F169 PolarHBondContact O-N 2.97Å; T166-M170 HydrophobicContact CG2-CG 4.39Å; T166-M170 HydrophobicContact CG2-SD 4.34Å; T166-M170 WeakPolarHBondContact O-CB 3.5Å; T166-M170 VanDerWaalsContact O-CG 3.27Å; T166-M170 WeakPolarHBondContact O-CG 3.32Å; T166-M170 PolarHBondContact O-N 3.03Å |
| 167 | K | 61.3 | Low | 55.4 | Low | 141 Ų | 141 | 104.2 Ų | 104.2 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 175.6 | -170.8 | 176.8 | -178.2 | 176 | 0 | 112.2 | L163 L164 R165 M170 K171 | L163-K167 WeakPolarHBondContact O-CB 3.06Å; L163-K167 PolarHBondContact O-N 3.1Å; L164-K167 PolarHBondContact O-N 2.83Å; R165-K167 VanDerWaalsContact C-N 3.33Å; R165-K167 PolarHBondContact O-N 3.22Å; K167-M170 PolarHBondContact O-N 2.79Å; K167-K171 VanDerWaalsContact O-CB 3.29Å; K167-K171 WeakPolarHBondContact O-CB 3.44Å; K167-K171 PolarHBondContact O-N 2.88Å |
| 168 | N | 63.3 | Low | 55.9 | Low | 90 Ų | 90 | 106.1 Ų | 106.1 | 48% | 0.481 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.4 | -39.3 | 176.8 | -74.5 | -17.9 | 0 | 0 | 0 | 111.9 | L164 R165 T166 K171 K172 | L164-N168 WeakPolarHBondContact O-CB 3.28Å; L164-N168 VanDerWaalsContact O-CG 3.24Å; L164-N168 PolarHBondContact O-N 3.25Å; L164-N168 PolarHBondContact O-ND2 2.86Å; R165-N168 PolarHBondContact O-N 3.03Å; T166-N168 PolarHBondContact O-N 3.17Å; N168-K171 PolarHBondContact O-N 3.49Å; N168-K172 VanDerWaalsContact O-CB 3.26Å; N168-K172 WeakPolarHBondContact O-CB 3.49Å; N168-K172 PolarHBondContact O-N 3.3Å |
| 169 | F | 64.5 | Low | 56.2 | Low | 115 Ų | 115 | 105.5 Ų | 105.5 | 50% | 0.504 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.2 | -50.3 | 173.7 | 179.5 | -92.5 | 0 | 0 | 0 | 110.3 | R165 T166 K171 K172 H173 | R165-F169 VanDerWaalsContact O-CB 3.26Å; R165-F169 WeakPolarHBondContact O-CB 3.08Å; R165-F169 PolarHBondContact O-N 2.89Å; T166-F169 PolarHBondContact O-N 2.97Å; F169-K171 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 3.38Å; F169-K172 PolarHBondContact O-N 2.93Å; F169-H173 AromaticContact CD2-CD2 3.25Å; F169-H173 WeakPolarHBondContact CD2-CD2 3.24Å; F169-H173 AromaticContact CD2-NE2 3.59Å; F169-H173 AromaticContact CE2-CD2 3.24Å; F169-H173 WeakPolarHBondContact CE2-CD2 3.32Å; F169-H173 AromaticContact CE2-CG 3.99Å; F169-H173 AromaticContact CE2-NE2 3.45Å; F169-H173 WeakPolarHBondContact CE2-NE2 3.04Å; F169-H173 AromaticContact CG-CD2 3.76Å; F169-H173 HydrophobicContact CZ-CB 4.5Å; F169-H173 AromaticContact CZ-CD2 3.76Å; F169-H173 WeakPolarHBondContact O-CB 3.15Å; F169-H173 PolarHBondContact O-CD2 3.31Å; F169-H173 PolarHBondContact O-N 3.4Å |
| 170 | M | 59.5 | Low | 56.7 | Low | 82 Ų | 82 | 103.8 Ų | 103.8 | 40% | 0.404 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.5 | -71.1 | -174.2 | 75.8 | 0 | 0 | 111.7 | T166 K167 K172 H174 | T166-M170 HydrophobicContact CG2-CG 4.39Å; T166-M170 HydrophobicContact CG2-SD 4.34Å; T166-M170 WeakPolarHBondContact O-CB 3.5Å; T166-M170 VanDerWaalsContact O-CG 3.27Å; T166-M170 WeakPolarHBondContact O-CG 3.32Å; T166-M170 PolarHBondContact O-N 3.03Å; K167-M170 PolarHBondContact O-N 2.79Å; M170-K172 PolarHBondContact O-N 3.48Å; M170-H174 VanDerWaalsContact O-CA 3.28Å; M170-H174 WeakPolarHBondContact O-CA 3.23Å; M170-H174 WeakPolarHBondContact O-CB 3.37Å; M170-H174 PolarHBondContact O-N 2.78Å |
| 171 | K | 62.7 | Low | 56.6 | Low | 163 Ų | 163 | 100.9 Ų | 100.9 | 71% | 0.709 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | 176.8 | -171.7 | 178.7 | 179.4 | -177.2 | 0 | 112.4 | K167 N168 F169 S175 | K167-K171 VanDerWaalsContact O-CB 3.29Å; K167-K171 WeakPolarHBondContact O-CB 3.44Å; K167-K171 PolarHBondContact O-N 2.88Å; N168-K171 PolarHBondContact O-N 3.49Å; F169-K171 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 3.38Å; K171-S175 WeakPolarHBondContact O-CB 3.4Å |
| 172 | K | 63.1 | Low | 56.3 | Low | 169 Ų | 169 | 100.1 Ų | 100.1 | 74% | 0.735 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -76.9 | -34.1 | -178.8 | -169.6 | 178.7 | -179.9 | -176.1 | 0 | 112.9 | N168 F169 M170 | N168-K172 VanDerWaalsContact O-CB 3.26Å; N168-K172 WeakPolarHBondContact O-CB 3.49Å; N168-K172 PolarHBondContact O-N 3.3Å; F169-K172 PolarHBondContact O-N 2.93Å; M170-K172 PolarHBondContact O-N 3.48Å |
| 173 | H | 57.1 | Low | 55.8 | Low | 101 Ų | 101 | 102.3 Ų | 102.3 | 47% | 0.468 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -104.4 | -15.7 | -173.6 | -67.2 | -77.2 | 0 | 0 | 0 | 114.2 | F169 | F169-H173 AromaticContact CD2-CD2 3.25Å; F169-H173 WeakPolarHBondContact CD2-CD2 3.24Å; F169-H173 AromaticContact CD2-NE2 3.59Å; F169-H173 AromaticContact CE2-CD2 3.24Å; F169-H173 WeakPolarHBondContact CE2-CD2 3.32Å; F169-H173 AromaticContact CE2-CG 3.99Å; F169-H173 AromaticContact CE2-NE2 3.45Å; F169-H173 WeakPolarHBondContact CE2-NE2 3.04Å; F169-H173 AromaticContact CG-CD2 3.76Å; F169-H173 HydrophobicContact CZ-CB 4.5Å; F169-H173 AromaticContact CZ-CD2 3.76Å; F169-H173 WeakPolarHBondContact O-CB 3.15Å; F169-H173 PolarHBondContact O-CD2 3.31Å; F169-H173 PolarHBondContact O-N 3.4Å |
| 174 | H | 56.3 | Low | 55 | Low | 44 Ų | 44 | 103.1 Ų | 103.1 | 20% | 0.204 | 54% | 0.535 | C | S | . | . | S | Bend | trans | -125.2 | 18.3 | -178.3 | -48.2 | -49.7 | 0 | 0 | 0 | 113 | M170 C176 V177 W184 | M170-H174 VanDerWaalsContact O-CA 3.28Å; M170-H174 WeakPolarHBondContact O-CA 3.23Å; M170-H174 WeakPolarHBondContact O-CB 3.37Å; M170-H174 PolarHBondContact O-N 2.78Å; H174-C176 PolarHBondContact O-N 2.85Å; H174-V177 HydrophobicContact CB-CB 4.34Å; H174-V177 HydrophobicContact CB-CG2 4.23Å; H174-V177 PolarHBondContact O-N 3.39Å; H174-W184 AromaticContact CE1-CH2 3.68Å; H174-W184 AromaticContact CE1-CZ3 3.3Å; H174-W184 WeakPolarHBondContact CE1-CZ3 3.27Å; H174-W184 AromaticContact ND1-CZ3 3.7Å; H174-W184 AromaticContact NE2-CZ3 3.69Å |
| 175 | S | 50.6 | Low | 54.1 | Low | 95 Ų | 95 | 104 Ų | 104 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -21.5 | 171.6 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | K171 | K171-S175 WeakPolarHBondContact O-CB 3.4Š|
| 176 | C | 48.5 | Very low | 53 | Low | 105 Ų | 105 | 99.8 Ų | 99.8 | 71% | 0.709 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 4.7 | 178.5 | 40.2 | 0 | 0 | 0 | 0 | 113.9 | H174 | H174-C176 PolarHBondContact O-N 2.85Š|
| 177 | V | 43 | Very low | 52.1 | Low | 57 Ų | 57 | 99.5 Ų | 99.5 | 35% | 0.345 | 54% | 0.54 | S | S | . | . | trans | -115.3 | 90.1 | 179.8 | -162.9 | 0 | 0 | 0 | 0 | 108.4 | H174 A179 | H174-V177 HydrophobicContact CB-CB 4.34Å; H174-V177 HydrophobicContact CB-CG2 4.23Å; H174-V177 PolarHBondContact O-N 3.39Å; V177-A179 WeakPolarHBondContact CG1-O 3.13Å; V177-A179 PolarHBondContact O-N 3.44Å | ||
| 178 | D | 47.9 | Very low | 51.2 | Low | 175 Ų | 175 | 98 Ų | 98 | 94% | 0.936 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -54.9 | -21.5 | 176.1 | -71.9 | -37.2 | 0 | 0 | 0 | 112.7 | ||
| 179 | A | 50.5 | Low | 50.2 | Low | 75 Ų | 75 | 99.1 Ų | 99.1 | 62% | 0.62 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -144.6 | 106.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | V177 | V177-A179 WeakPolarHBondContact CG1-O 3.13Å; V177-A179 PolarHBondContact O-N 3.44Å |
| 180 | P | 50 | Low | 49 | Very low | 39 Ų | 39 | 97.3 Ų | 97.3 | 25% | 0.253 | 56% | 0.561 | S | S | . | * | trans | -57.6 | 146.2 | 175.3 | 21.4 | -29 | 0 | 0 | 0 | 110.2 | A182 W184 I185 | P180-A182 PolarHBondContact O-N 2.84Å; P180-W184 HydrophobicContact CB-CE3 4.04Å; P180-I185 HydrophobicContact CB-CG1 4.41Å; P180-I185 HydrophobicContact CG-CD1 3.85Å; P180-I185 HydrophobicContact CG-CG1 3.9Å | ||
| 181 | P | 48.8 | Very low | 47.9 | Very low | 52 Ų | 52 | 99.7 Ų | 99.7 | 34% | 0.338 | 57% | 0.574 | S | S | . | * | trans | -50.2 | 135.1 | 175.5 | -27.5 | 34.5 | 0 | 0 | 0 | 111.3 | H183 W184 | P181-H183 WeakPolarHBondContact CB-CE1 3.48Å; P181-H183 WeakPolarHBondContact CB-ND1 3.26Å; P181-H183 PolarHBondContact O-N 3.18Å; P181-W184 HydrophobicContact CG-CD2 4.38Å; P181-W184 HydrophobicContact CG-CE3 4.44Å; P181-W184 WeakPolarHBondContact O-CB 3.25Å; P181-W184 PolarHBondContact O-N 3.21Å | ||
| 182 | A | 49.2 | Very low | 46.6 | Very low | 75 Ų | 75 | 97.3 Ų | 97.3 | 62% | 0.62 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -51.1 | -34.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P180 W184 I185 S186 | P180-A182 PolarHBondContact O-N 2.84Å; A182-W184 PolarHBondContact O-N 3.45Å; A182-I185 PolarHBondContact O-N 3.47Å; A182-I185 VanDerWaalsContact O-N 3.13Å; A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 2.92Å; A182-S186 PolarHBondContact O-OG 2.86Å |
| 183 | H | 45.9 | Very low | 45.4 | Very low | 126 Ų | 126 | 93 Ų | 93 | 58% | 0.583 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.4 | -19.1 | 179.2 | 69.3 | -84.7 | 0 | 0 | 0 | 114.8 | P181 S186 | P181-H183 WeakPolarHBondContact CB-CE1 3.48Å; P181-H183 WeakPolarHBondContact CB-ND1 3.26Å; P181-H183 PolarHBondContact O-N 3.18Å; H183-S186 VanDerWaalsContact CA-OG 3.24Å; H183-S186 WeakPolarHBondContact CA-OG 3.43Å; H183-S186 PolarHBondContact O-OG 3.45Å |
| 184 | W | 45 | Very low | 44.3 | Very low | 131 Ų | 131 | 92.8 Ų | 92.8 | 50% | 0.496 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -83.5 | -30.3 | 174.2 | -67.6 | -3.1 | 0 | 0 | 0 | 112.8 | H174 P180 P181 A182 | H174-W184 AromaticContact CE1-CH2 3.68Å; H174-W184 AromaticContact CE1-CZ3 3.3Å; H174-W184 WeakPolarHBondContact CE1-CZ3 3.27Å; H174-W184 AromaticContact ND1-CZ3 3.7Å; H174-W184 AromaticContact NE2-CZ3 3.69Å; P180-W184 HydrophobicContact CB-CE3 4.04Å; P181-W184 HydrophobicContact CG-CD2 4.38Å; P181-W184 HydrophobicContact CG-CE3 4.44Å; P181-W184 WeakPolarHBondContact O-CB 3.25Å; P181-W184 PolarHBondContact O-N 3.21Å; A182-W184 PolarHBondContact O-N 3.45Å |
| 185 | I | 44.1 | Very low | 43.3 | Very low | 112 Ų | 112 | 100.7 Ų | 100.7 | 57% | 0.574 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -85.9 | -27.1 | 176.4 | -30.8 | 174.8 | 0 | 0 | 0 | 110.4 | P180 A182 A187 | P180-I185 HydrophobicContact CB-CG1 4.41Å; P180-I185 HydrophobicContact CG-CD1 3.85Å; P180-I185 HydrophobicContact CG-CG1 3.9Å; A182-I185 PolarHBondContact O-N 3.47Å; A182-I185 VanDerWaalsContact O-N 3.13Å; I185-A187 VanDerWaalsContact C-N 3.28Å; I185-A187 PolarHBondContact O-N 2.94Å |
| 186 | S | 39.2 | Very low | 42.9 | Very low | 76 Ų | 76 | 102.5 Ų | 102.5 | 53% | 0.531 | 60% | 0.596 | S | S | . | * | trans | -86.8 | 13.6 | -176.6 | 77.1 | 0 | 0 | 0 | 0 | 113.9 | A182 H183 P188 | A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 2.92Å; A182-S186 PolarHBondContact O-OG 2.86Å; H183-S186 VanDerWaalsContact CA-OG 3.24Å; H183-S186 WeakPolarHBondContact CA-OG 3.43Å; H183-S186 PolarHBondContact O-OG 3.45Å; S186-P188 VanDerWaalsContact C-CD 3.43Å; S186-P188 VanDerWaalsContact C-N 3.34Å; S186-P188 WeakPolarHBondContact O-CD 3.31Å | ||
| 187 | A | 43.2 | Very low | 42.6 | Very low | 66 Ų | 66 | 102.7 Ų | 102.7 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -74.9 | 98.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | I185 V189 | I185-A187 VanDerWaalsContact C-N 3.28Å; I185-A187 PolarHBondContact O-N 2.94Å; A187-V189 VanDerWaalsContact C-N 3.25Å; A187-V189 PolarHBondContact O-N 3.03Å |
| 188 | P | 42.1 | Very low | 42.3 | Very low | 111 Ų | 111 | 101.3 Ų | 101.3 | 72% | 0.721 | 58% | 0.58 | S | S | * | * | trans | -56.5 | 108.2 | 161.6 | 26.7 | -32.3 | 0 | 0 | 0 | 104.1 | S186 A190 | S186-P188 VanDerWaalsContact C-CD 3.43Å; S186-P188 VanDerWaalsContact C-N 3.34Å; S186-P188 WeakPolarHBondContact O-CD 3.31Å; P188-A190 PolarHBondContact O-N 2.8Å | ||
| 189 | V | 42.6 | Very low | 41.8 | Very low | 113 Ų | 113 | 101.1 Ų | 101.1 | 69% | 0.685 | 57% | 0.573 | S | S | * | * | trans | -54.9 | 108.3 | 153.4 | -178.3 | 0 | 0 | 0 | 0 | 101.6 | A187 L191 | A187-V189 VanDerWaalsContact C-N 3.25Å; A187-V189 PolarHBondContact O-N 3.03Å; V189-L191 HydrophobicContact CB-CG 4.26Å; V189-L191 HydrophobicContact CG1-CD2 3.81Å; V189-L191 HydrophobicContact CG1-CG 3.81Å; V189-L191 PolarHBondContact O-N 2.81Å | ||
| 190 | A | 38.8 | Very low | 41.5 | Very low | 77 Ų | 77 | 101.8 Ų | 101.8 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | trans | -64.8 | 76.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | P188 T192 | P188-A190 PolarHBondContact O-N 2.8Å; A190-T192 PolarHBondContact O-N 2.95Å; A190-T192 VanDerWaalsContact O-N 3.1Å | ||
| 191 | L | 38.1 | Very low | 41 | Very low | 131 Ų | 131 | 102.6 Ų | 102.6 | 69% | 0.686 | 58% | 0.58 | S | S | * | * | trans | -80 | 42.9 | 162.9 | -60.9 | 176.4 | 0 | 0 | 0 | 107.6 | V189 P193 | V189-L191 HydrophobicContact CB-CG 4.26Å; V189-L191 HydrophobicContact CG1-CD2 3.81Å; V189-L191 HydrophobicContact CG1-CG 3.81Å; V189-L191 PolarHBondContact O-N 2.81Å; L191-P193 WeakPolarHBondContact O-CD 3.39Å | ||
| 192 | T | 33.9 | Very low | 41 | Very low | 113 Ų | 113 | 104.4 Ų | 104.4 | 69% | 0.693 | 59% | 0.593 | S | S | * | * | trans | -89.1 | 91.9 | 151.4 | 34.7 | 0 | 0 | 0 | 0 | 104.3 | A190 N194 | A190-T192 PolarHBondContact O-N 2.95Å; A190-T192 VanDerWaalsContact O-N 3.1Å; T192-N194 PolarHBondContact O-N 3.17Å; T192-N194 VanDerWaalsContact O-N 3.07Å | ||
| 193 | P | 38.4 | Very low | 40.9 | Very low | 78 Ų | 78 | 105.1 Ų | 105.1 | 51% | 0.506 | 59% | 0.594 | S | S | . | * | trans | -54.6 | 122.7 | 167.7 | 23.8 | -31.7 | 0 | 0 | 0 | 106.3 | L191 R195 V198 | L191-P193 WeakPolarHBondContact O-CD 3.39Å; P193-R195 PolarHBondContact O-N 3.06Å; P193-V198 HydrophobicContact CB-CG2 3.93Å | ||
| 194 | N | 34.6 | Very low | 41.1 | Very low | 97 Ų | 97 | 103.3 Ų | 103.3 | 52% | 0.519 | 59% | 0.588 | S | S | . | * | trans | -54.4 | 107.8 | 176 | -163.2 | -7.2 | 0 | 0 | 0 | 106.8 | T192 D196 L197 V198 | T192-N194 PolarHBondContact O-N 3.17Å; T192-N194 VanDerWaalsContact O-N 3.07Å; N194-D196 PolarHBondContact O-N 2.59Å; N194-L197 HydrophobicContact CB-CB 4.45Å; N194-L197 HydrophobicContact CB-CD1 4.08Å; N194-L197 HydrophobicContact CB-CG 4.33Å; N194-L197 PolarHBondContact O-N 3.41Å; N194-V198 PolarHBondContact O-N 3.22Å | ||
| 195 | R | 35 | Very low | 41.2 | Very low | 211 Ų | 211 | 101.4 Ų | 101.4 | 80% | 0.796 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -55.2 | -27.4 | -173.5 | -84 | -176.1 | 167.1 | 174.5 | -3.5 | 111.5 | P193 L197 V198 | P193-R195 PolarHBondContact O-N 3.06Å; R195-L197 VanDerWaalsContact C-N 3.3Å; R195-L197 PolarHBondContact O-N 3.28Å; R195-V198 PolarHBondContact O-N 3.33Å |
| 196 | D | 42.3 | Very low | 41.5 | Very low | 133 Ų | 133 | 101.3 Ų | 101.3 | 71% | 0.711 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.5 | -25 | 177.7 | -61.1 | -23.1 | 0 | 0 | 0 | 113.5 | N194 | N194-D196 PolarHBondContact O-N 2.59Å |
| 197 | L | 41 | Very low | 42.2 | Very low | 108 Ų | 108 | 103.4 Ų | 103.4 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -91.3 | -14.7 | 175.1 | -69.6 | 172.2 | 0 | 0 | 0 | 113.2 | N194 R195 H199 S200 | N194-L197 HydrophobicContact CB-CB 4.45Å; N194-L197 HydrophobicContact CB-CD1 4.08Å; N194-L197 HydrophobicContact CB-CG 4.33Å; N194-L197 PolarHBondContact O-N 3.41Å; R195-L197 VanDerWaalsContact C-N 3.3Å; R195-L197 PolarHBondContact O-N 3.28Å; L197-H199 VanDerWaalsContact C-N 3.34Å; L197-S200 PolarHBondContact O-OG 3.1Å; L197-S200 VanDerWaalsContact O-OG 3.04Å |
| 198 | V | 37.7 | Very low | 42.6 | Very low | 28 Ų | 28 | 103 Ų | 103 | 17% | 0.17 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -73 | -30.5 | -177.7 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | P193 N194 R195 S200 C201 E205 | P193-V198 HydrophobicContact CB-CG2 3.93Å; N194-V198 PolarHBondContact O-N 3.22Å; R195-V198 PolarHBondContact O-N 3.33Å; V198-S200 VanDerWaalsContact C-N 3.25Å; V198-S200 PolarHBondContact O-N 3.13Å; V198-C201 PolarHBondContact O-N 3.23Å; V198-E205 HydrophobicContact CG1-CB 3.84Å; V198-E205 HydrophobicContact CG1-CG 3.51Å; V198-E205 WeakPolarHBondContact CG1-OE1 3.25Å; V198-E205 VanDerWaalsContact CG1-OE2 3.23Å; V198-E205 WeakPolarHBondContact CG1-OE2 3.3Å |
| 199 | H | 38.2 | Very low | 43.1 | Very low | 171 Ų | 171 | 100.7 Ų | 100.7 | 79% | 0.792 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -25.3 | 178.1 | -73.6 | -50.3 | 0 | 0 | 0 | 114.4 | L197 | L197-H199 VanDerWaalsContact C-N 3.34Š|
| 200 | S | 43.6 | Very low | 43.6 | Very low | 90 Ų | 90 | 100.4 Ų | 100.4 | 63% | 0.629 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -10.9 | -178.2 | 46.3 | 0 | 0 | 0 | 0 | 114 | L197 V198 | L197-S200 PolarHBondContact O-OG 3.1Å; L197-S200 VanDerWaalsContact O-OG 3.04Å; V198-S200 VanDerWaalsContact C-N 3.25Å; V198-S200 PolarHBondContact O-N 3.13Å |
| 201 | C | 38.9 | Very low | 44.2 | Very low | 56 Ų | 56 | 101 Ų | 101 | 38% | 0.378 | 55% | 0.549 | S | S | . | . | trans | -136.4 | 67.2 | -175.8 | -77.4 | 0 | 0 | 0 | 0 | 111.9 | V198 S203 I204 E205 | V198-C201 PolarHBondContact O-N 3.23Å; C201-S203 PolarHBondContact O-N 3.28Å; C201-I204 HydrophobicContact CB-CB 4.04Å; C201-I204 HydrophobicContact CB-CD1 3.89Å; C201-I204 HydrophobicContact CB-CG1 4.08Å; C201-I204 PolarHBondContact O-N 2.92Å; C201-E205 PolarHBondContact O-N 3.42Å; C201-E205 VanDerWaalsContact O-N 3.17Å | ||
| 202 | S | 48.5 | Very low | 44.9 | Very low | 89 Ų | 89 | 97.4 Ų | 97.4 | 62% | 0.622 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -53.3 | -25.2 | 176.2 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 203 | S | 48.7 | Very low | 45.7 | Very low | 90 Ų | 90 | 95.5 Ų | 95.5 | 63% | 0.629 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -75.8 | -38.1 | 175.2 | -169.7 | 0 | 0 | 0 | 0 | 113.2 | C201 E207 | C201-S203 PolarHBondContact O-N 3.28Å; S203-E207 PolarHBondContact O-N 3.47Å |
| 204 | I | 49.8 | Very low | 46.2 | Very low | 89 Ų | 89 | 98.2 Ų | 98.2 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.8 | -34.9 | -178.8 | -63.2 | 175.9 | 0 | 0 | 0 | 109.9 | C201 N206 E207 V208 | C201-I204 HydrophobicContact CB-CB 4.04Å; C201-I204 HydrophobicContact CB-CD1 3.89Å; C201-I204 HydrophobicContact CB-CG1 4.08Å; C201-I204 PolarHBondContact O-N 2.92Å; I204-N206 VanDerWaalsContact C-N 3.34Å; I204-N206 PolarHBondContact O-N 2.93Å; I204-E207 PolarHBondContact O-N 3.2Å; I204-V208 HydrophobicContact CG2-CG2 3.85Å; I204-V208 WeakPolarHBondContact O-CB 3.27Å; I204-V208 VanDerWaalsContact O-CG2 3.31Å; I204-V208 WeakPolarHBondContact O-CG2 3.4Å; I204-V208 PolarHBondContact O-N 2.72Å |
| 205 | E | 47.5 | Very low | 46.8 | Very low | 91 Ų | 91 | 97.2 Ų | 97.2 | 43% | 0.425 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 174.7 | -168.3 | 178.2 | -169.9 | 0 | 0 | 111.6 | V198 C201 E207 C209 | V198-E205 HydrophobicContact CG1-CB 3.84Å; V198-E205 HydrophobicContact CG1-CG 3.51Å; V198-E205 WeakPolarHBondContact CG1-OE1 3.25Å; V198-E205 VanDerWaalsContact CG1-OE2 3.23Å; V198-E205 WeakPolarHBondContact CG1-OE2 3.3Å; C201-E205 PolarHBondContact O-N 3.42Å; C201-E205 VanDerWaalsContact O-N 3.17Å; E205-E207 VanDerWaalsContact C-N 3.35Å; E205-E207 PolarHBondContact O-N 2.69Å; E205-C209 WeakPolarHBondContact O-CB 3.36Å; E205-C209 PolarHBondContact O-N 2.83Å; E205-C209 PolarHBondContact O-SG 3.2Å |
| 206 | N | 50.3 | Low | 47.3 | Very low | 109 Ų | 109 | 93.1 Ų | 93.1 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 177.1 | -78.7 | -27.2 | 0 | 0 | 0 | 112.3 | I204 L210 | I204-N206 VanDerWaalsContact C-N 3.34Å; I204-N206 PolarHBondContact O-N 2.93Å; N206-L210 VanDerWaalsContact O-CB 3.26Å; N206-L210 WeakPolarHBondContact O-CB 3.17Å; N206-L210 WeakPolarHBondContact O-CD1 3.31Å; N206-L210 VanDerWaalsContact O-CG 3.25Å; N206-L210 WeakPolarHBondContact O-CG 3.48Å; N206-L210 PolarHBondContact O-N 2.79Å |
| 207 | E | 52.4 | Low | 47.1 | Very low | 120 Ų | 120 | 88.5 Ų | 88.5 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.7 | -43.4 | 179.7 | -166.5 | 175.7 | 179.4 | 0 | 0 | 112.2 | S203 I204 E205 L210 L211 | S203-E207 PolarHBondContact O-N 3.47Å; I204-E207 PolarHBondContact O-N 3.2Å; E205-E207 VanDerWaalsContact C-N 3.35Å; E205-E207 PolarHBondContact O-N 2.69Å; E207-L210 PolarHBondContact O-N 3Å; E207-L211 HydrophobicContact CG-CD1 4.38Å; E207-L211 WeakPolarHBondContact O-CB 3.29Å; E207-L211 PolarHBondContact O-N 2.73Å |
| 208 | V | 52.1 | Low | 47.3 | Very low | 57 Ų | 57 | 95 Ų | 95 | 35% | 0.345 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 175 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | I204 L210 L211 V212 | I204-V208 HydrophobicContact CG2-CG2 3.85Å; I204-V208 WeakPolarHBondContact O-CB 3.27Å; I204-V208 VanDerWaalsContact O-CG2 3.31Å; I204-V208 WeakPolarHBondContact O-CG2 3.4Å; I204-V208 PolarHBondContact O-N 2.72Å; V208-L210 VanDerWaalsContact C-N 3.34Å; V208-L210 PolarHBondContact O-N 3.03Å; V208-L211 PolarHBondContact O-N 2.85Å; V208-V212 HydrophobicContact CG1-CG2 4.26Å; V208-V212 WeakPolarHBondContact O-CB 3.4Å; V208-V212 VanDerWaalsContact O-CG2 3.27Å; V208-V212 WeakPolarHBondContact O-CG2 3.26Å; V208-V212 PolarHBondContact O-N 2.99Å |
| 209 | C | 53.4 | Low | 47.6 | Very low | 64 Ų | 64 | 100.4 Ų | 100.4 | 43% | 0.432 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 174.8 | -78.4 | 0 | 0 | 0 | 0 | 111.9 | E205 S213 | E205-C209 WeakPolarHBondContact O-CB 3.36Å; E205-C209 PolarHBondContact O-N 2.83Å; E205-C209 PolarHBondContact O-SG 3.2Å; C209-S213 WeakPolarHBondContact O-CB 3.45Å; C209-S213 PolarHBondContact O-N 2.83Å; C209-S213 PolarHBondContact O-OG 2.89Å |
| 210 | L | 52.7 | Low | 47.8 | Very low | 107 Ų | 107 | 98.1 Ų | 98.1 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 173.1 | -84.3 | 165.7 | 0 | 0 | 0 | 111.5 | N206 E207 V208 S213 Q214 | N206-L210 VanDerWaalsContact O-CB 3.26Å; N206-L210 WeakPolarHBondContact O-CB 3.17Å; N206-L210 WeakPolarHBondContact O-CD1 3.31Å; N206-L210 VanDerWaalsContact O-CG 3.25Å; N206-L210 WeakPolarHBondContact O-CG 3.48Å; N206-L210 PolarHBondContact O-N 2.79Å; E207-L210 PolarHBondContact O-N 3Å; V208-L210 VanDerWaalsContact C-N 3.34Å; V208-L210 PolarHBondContact O-N 3.03Å; L210-S213 CarbonylContact O-C 3.58Å; L210-S213 PolarHBondContact O-N 2.83Å; L210-Q214 WeakPolarHBondContact O-CB 3.28Å; L210-Q214 VanDerWaalsContact O-CG 3.31Å; L210-Q214 WeakPolarHBondContact O-CG 3.37Å; L210-Q214 PolarHBondContact O-N 3.47Å |
| 211 | L | 52.1 | Low | 47.7 | Very low | 89 Ų | 89 | 99 Ų | 99 | 47% | 0.466 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 176.6 | -85.5 | 157.8 | 0 | 0 | 0 | 111.9 | E207 V208 S213 Q214 V215 | E207-L211 HydrophobicContact CG-CD1 4.38Å; E207-L211 WeakPolarHBondContact O-CB 3.29Å; E207-L211 PolarHBondContact O-N 2.73Å; V208-L211 PolarHBondContact O-N 2.85Å; L211-S213 VanDerWaalsContact C-N 3.3Å; L211-S213 PolarHBondContact O-N 3.44Å; L211-Q214 PolarHBondContact O-N 2.78Å; L211-V215 WeakPolarHBondContact O-CB 3.33Å; L211-V215 VanDerWaalsContact O-CG2 3.25Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.48Å |
| 212 | V | 52.9 | Low | 47.9 | Very low | 55 Ų | 55 | 99 Ų | 99 | 33% | 0.333 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | V208 V215 Q216 | V208-V212 HydrophobicContact CG1-CG2 4.26Å; V208-V212 WeakPolarHBondContact O-CB 3.4Å; V208-V212 VanDerWaalsContact O-CG2 3.27Å; V208-V212 WeakPolarHBondContact O-CG2 3.26Å; V208-V212 PolarHBondContact O-N 2.99Å; V212-V215 PolarHBondContact O-N 3.29Å; V212-Q216 HydrophobicContact CG1-CG 4.33Å; V212-Q216 VanDerWaalsContact O-CB 3.32Å; V212-Q216 WeakPolarHBondContact O-CB 3.33Å; V212-Q216 VanDerWaalsContact O-CG 3.26Å; V212-Q216 WeakPolarHBondContact O-CG 3.26Å; V212-Q216 PolarHBondContact O-N 2.78Å |
| 213 | S | 49.2 | Very low | 47.8 | Very low | 73 Ų | 73 | 100 Ų | 100 | 51% | 0.51 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.4 | -34.6 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | C209 L210 L211 G217 | C209-S213 WeakPolarHBondContact O-CB 3.45Å; C209-S213 PolarHBondContact O-N 2.83Å; C209-S213 PolarHBondContact O-OG 2.89Å; L210-S213 CarbonylContact O-C 3.58Å; L210-S213 PolarHBondContact O-N 2.83Å; L211-S213 VanDerWaalsContact C-N 3.3Å; L211-S213 PolarHBondContact O-N 3.44Å; S213-G217 PolarHBondContact O-N 2.68Å |
| 214 | Q | 49.5 | Very low | 47.6 | Very low | 136 Ų | 136 | 100 Ų | 100 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.6 | -40.4 | 173.7 | -77.8 | 177.9 | 6 | 0 | 0 | 111.6 | L210 L211 G217 | L210-Q214 WeakPolarHBondContact O-CB 3.28Å; L210-Q214 VanDerWaalsContact O-CG 3.31Å; L210-Q214 WeakPolarHBondContact O-CG 3.37Å; L210-Q214 PolarHBondContact O-N 3.47Å; L211-Q214 PolarHBondContact O-N 2.78Å; Q214-G217 WeakPolarHBondContact O-CA 3.35Å; Q214-G217 PolarHBondContact O-N 2.82Å; Q214-G217 VanDerWaalsContact O-N 3.16Å |
| 215 | V | 47.6 | Very low | 47.3 | Very low | 76 Ų | 76 | 101.7 Ų | 101.7 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.4 | -34.9 | 176.7 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | L211 V212 G217 F220 | L211-V215 WeakPolarHBondContact O-CB 3.33Å; L211-V215 VanDerWaalsContact O-CG2 3.25Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.48Å; V212-V215 PolarHBondContact O-N 3.29Å; V215-G217 PolarHBondContact O-N 2.99Å; V215-F220 HydrophobicContact CG1-CB 4.4Å; V215-F220 HydrophobicContact CG1-CD2 4.12Å; V215-F220 HydrophobicContact CG1-CG 4.13Å; V215-F220 VanDerWaalsContact O-CB 3.28Å; V215-F220 WeakPolarHBondContact O-CB 3.35Å; V215-F220 WeakPolarHBondContact O-CD2 3.47Å; V215-F220 WeakPolarHBondContact O-CG 3.49Å |
| 216 | Q | 44.9 | Very low | 46.7 | Very low | 125 Ų | 125 | 104.8 Ų | 104.8 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -74.9 | -10.8 | 169.9 | -69.4 | 179.2 | 6.1 | 0 | 0 | 112.8 | V212 R218 | V212-Q216 HydrophobicContact CG1-CG 4.33Å; V212-Q216 VanDerWaalsContact O-CB 3.32Å; V212-Q216 WeakPolarHBondContact O-CB 3.33Å; V212-Q216 VanDerWaalsContact O-CG 3.26Å; V212-Q216 WeakPolarHBondContact O-CG 3.26Å; V212-Q216 PolarHBondContact O-N 2.78Å; Q216-R218 PolarHBondContact O-N 3.13Å |
| 217 | G | 37.5 | Very low | 46 | Very low | 35 Ų | 35 | 103 Ų | 103 | 36% | 0.361 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -69.7 | 96.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | S213 Q214 V215 D219 | S213-G217 PolarHBondContact O-N 2.68Å; Q214-G217 WeakPolarHBondContact O-CA 3.35Å; Q214-G217 PolarHBondContact O-N 2.82Å; Q214-G217 VanDerWaalsContact O-N 3.16Å; V215-G217 PolarHBondContact O-N 2.99Å; G217-D219 PolarHBondContact O-N 3.2Å |
| 218 | R | 46.4 | Very low | 45.4 | Very low | 246 Ų | 246 | 102.5 Ų | 102.5 | 93% | 0.928 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 55.3 | -28.4 | 164.2 | -70 | -173 | 178.5 | 177.4 | 0.5 | 120.1 | Q216 | Q216-R218 PolarHBondContact O-N 3.13Š|
| 219 | D | 43.8 | Very low | 44.6 | Very low | 141 Ų | 141 | 108.2 Ų | 108.2 | 75% | 0.754 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -102.3 | -2.7 | -171.1 | -67.4 | -18.1 | 0 | 0 | 0 | 114 | G217 | G217-D219 PolarHBondContact O-N 3.2Š|
| 220 | F | 42.6 | Very low | 43.6 | Very low | 123 Ų | 123 | 110.9 Ų | 110.9 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | trans | -126.8 | 125.9 | -178.9 | -57.2 | -91.7 | 0 | 0 | 0 | 112.5 | V215 | V215-F220 HydrophobicContact CG1-CB 4.4Å; V215-F220 HydrophobicContact CG1-CD2 4.12Å; V215-F220 HydrophobicContact CG1-CG 4.13Å; V215-F220 VanDerWaalsContact O-CB 3.28Å; V215-F220 WeakPolarHBondContact O-CB 3.35Å; V215-F220 WeakPolarHBondContact O-CD2 3.47Å; V215-F220 WeakPolarHBondContact O-CG 3.49Å | ||
| 221 | I | 40.3 | Very low | 42.7 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 55% | 0.554 | 61% | 0.611 | S | S | * | * | trans | -81.9 | 116.3 | 176.7 | -63.1 | 176.8 | 0 | 0 | 0 | 107.9 | Q225 Y226 | I221-Q225 HydrophobicContact CB-CB 4.48Å; I221-Q225 HydrophobicContact CG2-CB 3.49Å; I221-Q225 VanDerWaalsContact CG2-CB 3.49Å; I221-Y226 HydrophobicContact CG2-CD2 3.95Å; I221-Y226 HydrophobicContact CG2-CE2 3.87Å | ||
| 222 | T | 43.2 | Very low | 41.7 | Very low | 56 Ų | 56 | 118.4 Ų | 118.4 | 34% | 0.344 | 63% | 0.627 | S | S | . | * | trans | -73.7 | 160.2 | 171.9 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | A224 Q225 Y226 | T222-A224 PolarHBondContact O-N 3.09Å; T222-Q225 WeakPolarHBondContact O-CB 3.23Å; T222-Q225 PolarHBondContact O-N 3.18Å; T222-Y226 WeakPolarHBondContact O-CD2 3.45Å | ||
| 223 | S | 46.6 | Very low | 40.5 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -51 | -30.8 | 175.8 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | Q225 Y226 | S223-Q225 VanDerWaalsContact C-N 3.32Å; S223-Q225 PolarHBondContact O-N 2.75Å; S223-Y226 PolarHBondContact O-N 2.7Å |
| 224 | A | 45.8 | Very low | 39.8 | Very low | 90 Ų | 90 | 126.5 Ų | 126.5 | 74% | 0.744 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -70.2 | -22 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T222 | T222-A224 PolarHBondContact O-N 3.09Š|
| 225 | Q | 43 | Very low | 39.1 | Very low | 126 Ų | 126 | 127 Ų | 127 | 59% | 0.589 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -90.2 | -9.4 | 176.6 | -69.6 | 178.1 | 11.3 | 0 | 0 | 112.9 | I221 T222 S223 A227 | I221-Q225 HydrophobicContact CB-CB 4.48Å; I221-Q225 HydrophobicContact CG2-CB 3.49Å; I221-Q225 VanDerWaalsContact CG2-CB 3.49Å; T222-Q225 WeakPolarHBondContact O-CB 3.23Å; T222-Q225 PolarHBondContact O-N 3.18Å; S223-Q225 VanDerWaalsContact C-N 3.32Å; S223-Q225 PolarHBondContact O-N 2.75Å; Q225-A227 PolarHBondContact O-N 3.2Å |
| 226 | Y | 34.2 | Very low | 38.2 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 61% | 0.612 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -67.3 | 118.5 | 165.7 | -75.5 | -95.8 | 0 | 0 | 0 | 107.8 | I221 T222 S223 P228 | I221-Y226 HydrophobicContact CG2-CD2 3.95Å; I221-Y226 HydrophobicContact CG2-CE2 3.87Å; T222-Y226 WeakPolarHBondContact O-CD2 3.45Å; S223-Y226 PolarHBondContact O-N 2.7Å; Y226-P228 WeakPolarHBondContact O-CD 3.24Å; Y226-P228 VanDerWaalsContact O-N 3.17Å |
| 227 | A | 35.2 | Very low | 37.6 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 60% | 0.595 | 70% | 0.7 | S | S | * | * | trans | -53.5 | 126.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q225 K229 | Q225-A227 PolarHBondContact O-N 3.2Å; A227-K229 PolarHBondContact O-N 2.87Å | ||
| 228 | P | 41.8 | Very low | 37.2 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -71.1 | 74.7 | -177.6 | 28.4 | -33.8 | 0 | 0 | 0 | 109 | Y226 Y231 | Y226-P228 WeakPolarHBondContact O-CD 3.24Å; Y226-P228 VanDerWaalsContact O-N 3.17Å; P228-Y231 HydrophobicContact CB-CD2 4.16Å; P228-Y231 HydrophobicContact CB-CE2 3.84Å | ||
| 229 | K | 35 | Very low | 36.6 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | trans | -100.2 | 121.4 | 168.4 | -71.3 | -173.1 | 178.6 | -179.7 | 0 | 106.1 | A227 | A227-K229 PolarHBondContact O-N 2.87Š| ||
| 230 | C | 31.8 | Very low | 36 | Very low | 121 Ų | 121 | 129 Ų | 129 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | 81.9 | 44.4 | 172.4 | -37.9 | 0 | 0 | 0 | 0 | 115.8 | I232 | C230-I232 VanDerWaalsContact C-N 3.29Å; C230-I232 PolarHBondContact O-N 2.77Å; C230-I232 VanDerWaalsContact O-N 3.08Å | ||
| 231 | Y | 34.6 | Very low | 35.4 | Very low | 196 Ų | 196 | 130.1 Ų | 130.1 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -63.4 | 108 | 138.2 | -69.4 | -77.5 | 0 | 0 | 0 | 105.3 | P228 K233 | P228-Y231 HydrophobicContact CB-CD2 4.16Å; P228-Y231 HydrophobicContact CB-CE2 3.84Å; Y231-K233 PolarHBondContact O-N 3.47Å | ||
| 232 | I | 30.1 | Very low | 34.9 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -42.4 | 113.8 | 156.2 | -65.2 | 166.4 | 0 | 0 | 0 | 103.8 | C230 S234 | C230-I232 VanDerWaalsContact C-N 3.29Å; C230-I232 PolarHBondContact O-N 2.77Å; C230-I232 VanDerWaalsContact O-N 3.08Å; I232-S234 PolarHBondContact O-N 3.26Å | ||
| 233 | K | 27.7 | Very low | 34.2 | Very low | 178 Ų | 178 | 139 Ų | 139 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | trans | -45.5 | 127.1 | 175 | -79.7 | -179.3 | 175.9 | 179.9 | 0 | 105.4 | Y231 L235 | Y231-K233 PolarHBondContact O-N 3.47Å; K233-L235 PolarHBondContact O-N 3.36Å | ||
| 234 | S | 34.6 | Very low | 33.5 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | -57.7 | 81 | 169.2 | -35.1 | 0 | 0 | 0 | 0 | 106.3 | I232 D236 | I232-S234 PolarHBondContact O-N 3.26Å; S234-D236 PolarHBondContact O-N 2.83Å | ||
| 235 | L | 34.3 | Very low | 32.9 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -77.3 | 91.9 | 179.3 | -133.5 | 148.3 | 0 | 0 | 0 | 102.5 | K233 Y237 | K233-L235 PolarHBondContact O-N 3.36Å; L235-Y237 PolarHBondContact O-N 2.96Å | ||
| 236 | D | 29.2 | Very low | 32.4 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | trans | 12.6 | 75.9 | 164.4 | -61.5 | -46.2 | 0 | 0 | 0 | 113.7 | S234 A238 | S234-D236 PolarHBondContact O-N 2.83Å; D236-A238 PolarHBondContact O-N 3.37Å | ||
| 237 | Y | 32.8 | Very low | 32.5 | Very low | 231 Ų | 231 | 145.8 Ų | 145.8 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -73.8 | 62.2 | 153.6 | -124.9 | -90.4 | 0 | 0 | 0 | 106.5 | L235 | L235-Y237 PolarHBondContact O-N 2.96Š| ||
| 238 | A | 29.1 | Very low | 32.6 | Very low | 70 Ų | 70 | 150.1 Ų | 150.1 | 58% | 0.579 | 78% | 0.777 | S | S | * | * | trans | -56.3 | 123.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 104.6 | D236 S240 | D236-A238 PolarHBondContact O-N 3.37Å; A238-S240 VanDerWaalsContact C-N 3.32Å; A238-S240 PolarHBondContact O-N 3.5Å | ||
| 239 | P | 33.2 | Very low | 32.3 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -60 | 101.9 | -178.4 | 24 | -31.9 | 0 | 0 | 0 | 106.8 | I241 | P239-I241 PolarHBondContact O-N 2.86Š| ||
| 240 | S | 30.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -61.5 | 107.2 | 177.5 | -174.1 | 0 | 0 | 0 | 0 | 106.2 | A238 R242 | A238-S240 VanDerWaalsContact C-N 3.32Å; A238-S240 PolarHBondContact O-N 3.5Å; S240-R242 PolarHBondContact O-N 3.46Å | ||
| 241 | I | 30.7 | Very low | 32.9 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -46.7 | 128.3 | 170.2 | -66.3 | 166.9 | 0 | 0 | 0 | 106.3 | P239 T243 | P239-I241 PolarHBondContact O-N 2.86Å; I241-T243 VanDerWaalsContact C-N 3.33Å; I241-T243 PolarHBondContact O-N 3.07Å | ||
| 242 | R | 31.1 | Very low | 33.2 | Very low | 243 Ų | 243 | 142.2 Ų | 142.2 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | -42.3 | 92.9 | 174.4 | -64.9 | -179.9 | 177.2 | -155 | -0.9 | 111 | S240 S244 | S240-R242 PolarHBondContact O-N 3.46Å; R242-S244 PolarHBondContact O-N 3.22Å | ||
| 243 | T | 28 | Very low | 34 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | trans | -84.7 | 106.8 | 155.8 | 38.2 | 0 | 0 | 0 | 0 | 105.8 | I241 F245 | I241-T243 VanDerWaalsContact C-N 3.33Å; I241-T243 PolarHBondContact O-N 3.07Å; T243-F245 PolarHBondContact O-N 3.04Å | ||
| 244 | S | 31.5 | Very low | 35 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -41.9 | 113.1 | 162.5 | 41.1 | 0 | 0 | 0 | 0 | 108.7 | R242 N246 | R242-S244 PolarHBondContact O-N 3.22Å; S244-N246 PolarHBondContact O-N 3.21Å | ||
| 245 | F | 33.7 | Very low | 35.3 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | trans | -65.8 | 76.9 | 167.4 | -85.2 | -94.2 | 0 | 0 | 0 | 108.6 | T243 | T243-F245 PolarHBondContact O-N 3.04Š| ||
| 246 | N | 31.4 | Very low | 35.6 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | -113.4 | 124.7 | 149.4 | -80.2 | -19.5 | 0 | 0 | 0 | 105 | S244 | S244-N246 PolarHBondContact O-N 3.21Š| ||
| 247 | E | 36.7 | Very low | 36.3 | Very low | 190 Ų | 190 | 134.3 Ų | 134.3 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | trans | 71.6 | 68.9 | 169.5 | -59 | -173.1 | 143.5 | 0 | 0 | 118 | ||||
| 248 | I | 37.8 | Very low | 36.8 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -129.1 | 129.2 | 132.1 | -57.2 | 177.4 | 0 | 0 | 0 | 106.1 | ||
| 249 | G | 34.7 | Very low | 37.7 | Very low | 67 Ų | 67 | 134.4 Ų | 134.4 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | -35 | 138.5 | -158.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | P251 | G249-P251 WeakPolarHBondContact O-CD 3.25Š| ||
| 250 | N | 34.7 | Very low | 37.9 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -34 | 114.6 | 170.8 | -72.9 | -46.9 | 0 | 0 | 0 | 110.6 | ||||
| 251 | P | 44 | Very low | 38.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141.4 | 166.3 | 23.5 | -31.4 | 0 | 0 | 0 | 107.4 | G249 K253 | G249-P251 WeakPolarHBondContact O-CD 3.25Å; P251-K253 PolarHBondContact O-N 3.1Å |
| 252 | P | 41.9 | Very low | 39 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 121.4 | -179.5 | 20.6 | -30.5 | 0 | 0 | 0 | 108.1 | P254 | P252-P254 VanDerWaalsContact O-N 3.15Š|
| 253 | K | 47.9 | Very low | 39.9 | Very low | 191 Ų | 191 | 126.1 Ų | 126.1 | 83% | 0.83 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 124.4 | 179.9 | -165.2 | 176.4 | -175.3 | 179.6 | 0 | 107.2 | P251 | P251-K253 PolarHBondContact O-N 3.1Š|
| 254 | P | 47.6 | Very low | 41.6 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -55 | 143.1 | 175.5 | 22.2 | -31.1 | 0 | 0 | 0 | 108.2 | P252 N256 | P252-P254 VanDerWaalsContact O-N 3.15Å; P254-N256 PolarHBondContact O-N 3.33Å |
| 255 | P | 40.6 | Very low | 43.2 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 49% | 0.494 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 137.9 | 171.8 | -21.5 | 29.4 | 0 | 0 | 0 | 109 | F257 | P255-F257 HydrophobicContact CB-CD1 4.34Å; P255-F257 HydrophobicContact CB-CD2 4.31Å; P255-F257 HydrophobicContact CB-CE1 3.91Å; P255-F257 HydrophobicContact CB-CE2 3.91Å; P255-F257 HydrophobicContact CB-CZ 3.71Å; P255-F257 HydrophobicContact CG-CE1 4.18Å; P255-F257 HydrophobicContact CG-CE2 3.89Å; P255-F257 HydrophobicContact CG-CZ 3.58Å; P255-F257 WeakPolarHBondContact O-CD2 3.26Å; P255-F257 PolarHBondContact O-N 3.3Å |
| 256 | N | 40.2 | Very low | 44.8 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 63% | 0.631 | 67% | 0.672 | S | S | * | * | trans | -68.8 | 87.2 | 176.2 | -151.6 | 24.8 | 0 | 0 | 0 | 107.5 | P254 E258 | P254-N256 PolarHBondContact O-N 3.33Å; N256-E258 PolarHBondContact O-N 3.39Å; N256-E258 VanDerWaalsContact O-N 3.15Å | ||
| 257 | F | 44.1 | Very low | 46.5 | Very low | 110 Ų | 110 | 118.5 Ų | 118.5 | 48% | 0.482 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | 3.2 | -175.6 | -70.4 | -67.8 | 0 | 0 | 0 | 113.2 | P255 A263 | P255-F257 HydrophobicContact CB-CD1 4.34Å; P255-F257 HydrophobicContact CB-CD2 4.31Å; P255-F257 HydrophobicContact CB-CE1 3.91Å; P255-F257 HydrophobicContact CB-CE2 3.91Å; P255-F257 HydrophobicContact CB-CZ 3.71Å; P255-F257 HydrophobicContact CG-CE1 4.18Å; P255-F257 HydrophobicContact CG-CE2 3.89Å; P255-F257 HydrophobicContact CG-CZ 3.58Å; P255-F257 WeakPolarHBondContact O-CD2 3.26Å; P255-F257 PolarHBondContact O-N 3.3Å; F257-A263 HydrophobicContact CD1-CB 3.91Å; F257-A263 HydrophobicContact CE1-CB 3.43Å; F257-A263 VanDerWaalsContact CE1-CB 3.43Å; F257-A263 HydrophobicContact CZ-CB 4.35Å |
| 258 | E | 44.6 | Very low | 48 | Very low | 172 Ų | 172 | 112.6 Ų | 112.6 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -25.4 | 175.3 | -68.2 | -165.5 | 156.8 | 0 | 0 | 113.1 | N256 | N256-E258 PolarHBondContact O-N 3.39Å; N256-E258 VanDerWaalsContact O-N 3.15Å |
| 259 | D | 46.3 | Very low | 49.6 | Very low | 131 Ų | 131 | 113.4 Ų | 113.4 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -103.1 | 0.6 | -175 | -69 | -31.8 | 0 | 0 | 0 | 115.2 | ||
| 260 | N | 37.4 | Very low | 51.4 | Low | 122 Ų | 122 | 115.8 Ų | 115.8 | 65% | 0.652 | 63% | 0.625 | S | S | * | * | trans | -157.1 | 101 | 166.3 | -90.7 | -44.7 | 0 | 0 | 0 | 110.4 | T262 | N260-T262 PolarHBondContact O-N 2.95Š| ||
| 261 | L | 42.5 | Very low | 53.2 | Low | 173 Ų | 173 | 114.6 Ų | 114.6 | 91% | 0.906 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -65.4 | 26.1 | 173.4 | -97.1 | 159.3 | 0 | 0 | 0 | 114.3 | ||
| 262 | T | 42.6 | Very low | 54.7 | Low | 104 Ų | 104 | 113.2 Ų | 113.2 | 64% | 0.638 | 60% | 0.595 | S | S | * | * | trans | -130.4 | 49.8 | -177.7 | 38.3 | 0 | 0 | 0 | 0 | 110.5 | N260 T264 | N260-T262 PolarHBondContact O-N 2.95Å; T262-T264 PolarHBondContact O-N 2.78Å; T262-T264 VanDerWaalsContact O-N 3.1Å | ||
| 263 | A | 50.4 | Low | 56.1 | Low | 36 Ų | 36 | 112.5 Ų | 112.5 | 30% | 0.298 | 59% | 0.585 | S | S | . | * | trans | -61.9 | 112.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | F257 E267 V268 | F257-A263 HydrophobicContact CD1-CB 3.91Å; F257-A263 HydrophobicContact CE1-CB 3.43Å; F257-A263 VanDerWaalsContact CE1-CB 3.43Å; F257-A263 HydrophobicContact CZ-CB 4.35Å; A263-E267 VanDerWaalsContact CA-OE2 3.25Å; A263-E267 WeakPolarHBondContact CA-OE2 3.3Å; A263-V268 HydrophobicContact CB-CG2 4.4Å | ||
| 264 | T | 62.7 | Low | 57.4 | Low | 73 Ų | 73 | 109.2 Ų | 109.2 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | trans | -67.8 | 150.5 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 109.1 | T262 S266 E267 V268 | T262-T264 PolarHBondContact O-N 2.78Å; T262-T264 VanDerWaalsContact O-N 3.1Å; T264-S266 PolarHBondContact O-N 2.85Å; T264-E267 PolarHBondContact N-OE2 2.77Å; T264-E267 PolarHBondContact O-N 3.45Å; T264-V268 PolarHBondContact O-N 3.01Å | ||
| 265 | V | 64.6 | Low | 58.6 | Low | 123 Ų | 123 | 109 Ų | 109 | 75% | 0.745 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -50.4 | -31.5 | 175.4 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | R269 | V265-R269 WeakPolarHBondContact O-CB 3.45Å; V265-R269 PolarHBondContact O-N 3.46Å; V265-R269 VanDerWaalsContact O-N 3.11Å |
| 266 | S | 67.5 | Low | 60.1 | Low | 80 Ų | 80 | 110.2 Ų | 110.2 | 56% | 0.559 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.6 | -42.2 | 174.2 | -56 | 0 | 0 | 0 | 0 | 113.7 | T264 R269 I270 | T264-S266 PolarHBondContact O-N 2.85Å; S266-R269 PolarHBondContact O-N 3.27Å; S266-I270 VanDerWaalsContact O-CG1 3.3Å; S266-I270 WeakPolarHBondContact O-CG1 3.41Å; S266-I270 PolarHBondContact O-N 3.45Å |
| 267 | E | 67.1 | Low | 61.3 | Low | 106 Ų | 106 | 111 Ų | 111 | 50% | 0.495 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.8 | -40.8 | -178.4 | -71 | 167.7 | 158.9 | 0 | 0 | 111.8 | A263 T264 R269 I270 W271 | A263-E267 VanDerWaalsContact CA-OE2 3.25Å; A263-E267 WeakPolarHBondContact CA-OE2 3.3Å; T264-E267 PolarHBondContact N-OE2 2.77Å; T264-E267 PolarHBondContact O-N 3.45Å; E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 3.22Å; E267-I270 PolarHBondContact O-N 3.34Å; E267-W271 PolarHBondContact O-N 3Å |
| 268 | V | 69.4 | Low | 62.3 | Low | 66 Ų | 66 | 112.1 Ų | 112.1 | 40% | 0.4 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.5 | -39.9 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | A263 T264 W271 I272 | A263-V268 HydrophobicContact CB-CG2 4.4Å; T264-V268 PolarHBondContact O-N 3.01Å; V268-W271 PolarHBondContact O-N 3.33Å; V268-I272 HydrophobicContact CG1-CD1 3.94Å; V268-I272 HydrophobicContact CG1-CG1 4.5Å; V268-I272 WeakPolarHBondContact O-CG1 3.02Å; V268-I272 PolarHBondContact O-N 2.83Å |
| 269 | R | 69.9 | Low | 63 | Low | 179 Ų | 179 | 111.3 Ų | 111.3 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.8 | -41.2 | 179 | -138.7 | 175.5 | -167.4 | -175.3 | 3.2 | 112.6 | V265 S266 E267 W271 I272 N273 | V265-R269 WeakPolarHBondContact O-CB 3.45Å; V265-R269 PolarHBondContact O-N 3.46Å; V265-R269 VanDerWaalsContact O-N 3.11Å; S266-R269 PolarHBondContact O-N 3.27Å; E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 3.22Å; R269-W271 VanDerWaalsContact C-N 3.31Å; R269-I272 PolarHBondContact O-N 2.97Å; R269-N273 WeakPolarHBondContact O-CB 3.37Å; R269-N273 VanDerWaalsContact O-CG 3.29Å; R269-N273 PolarHBondContact O-N 3.12Å |
| 270 | I | 74.1 | Confident | 63.8 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.3 | -41.8 | 175 | -68.9 | 164.6 | 0 | 0 | 0 | 110.3 | S266 E267 N273 K274 | S266-I270 VanDerWaalsContact O-CG1 3.3Å; S266-I270 WeakPolarHBondContact O-CG1 3.41Å; S266-I270 PolarHBondContact O-N 3.45Å; E267-I270 PolarHBondContact O-N 3.34Å; I270-N273 PolarHBondContact O-N 2.85Å; I270-K274 WeakPolarHBondContact O-CB 3.33Å; I270-K274 PolarHBondContact O-N 3.19Å |
| 271 | W | 72.4 | Confident | 65.2 | Low | 137 Ų | 137 | 109.7 Ų | 109.7 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.7 | -44.4 | 178.7 | -174.7 | 77.6 | 0 | 0 | 0 | 112.6 | E267 V268 R269 K274 I275 | E267-W271 PolarHBondContact O-N 3Å; V268-W271 PolarHBondContact O-N 3.33Å; R269-W271 VanDerWaalsContact C-N 3.31Å; W271-K274 PolarHBondContact O-N 2.77Å; W271-I275 HydrophobicContact CD2-CD1 3.79Å; W271-I275 HydrophobicContact CE3-CD1 3.71Å; W271-I275 HydrophobicContact CH2-CD1 3.48Å; W271-I275 VanDerWaalsContact CH2-CD1 3.48Å; W271-I275 HydrophobicContact CZ2-CD1 3.56Å; W271-I275 HydrophobicContact CZ3-CD1 3.55Å; W271-I275 WeakPolarHBondContact O-CG1 3.39Å; W271-I275 PolarHBondContact O-N 3.25Å |
| 272 | I | 75 | Confident | 66.4 | Low | 79 Ų | 79 | 106.2 Ų | 106.2 | 41% | 0.405 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.7 | -44.9 | 175.6 | -68.6 | 169.9 | 0 | 0 | 0 | 111 | V268 R269 K274 I275 I276 | V268-I272 HydrophobicContact CG1-CD1 3.94Å; V268-I272 HydrophobicContact CG1-CG1 4.5Å; V268-I272 WeakPolarHBondContact O-CG1 3.02Å; V268-I272 PolarHBondContact O-N 2.83Å; R269-I272 PolarHBondContact O-N 2.97Å; I272-K274 VanDerWaalsContact C-N 3.29Å; I272-K274 PolarHBondContact O-N 3.3Å; I272-I275 PolarHBondContact O-N 3.16Å; I272-I276 HydrophobicContact CG2-CD1 3.87Å; I272-I276 WeakPolarHBondContact O-CG1 3.42Å; I272-I276 PolarHBondContact O-N 3.21Å; I272-I276 VanDerWaalsContact O-N 3.12Å |
| 273 | N | 71.9 | Confident | 67.8 | Low | 86 Ų | 86 | 106.3 Ų | 106.3 | 46% | 0.46 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.7 | -37.5 | 178.9 | -72.7 | -10.1 | 0 | 0 | 0 | 111.9 | R269 I270 I275 I276 D277 | R269-N273 WeakPolarHBondContact O-CB 3.37Å; R269-N273 VanDerWaalsContact O-CG 3.29Å; R269-N273 PolarHBondContact O-N 3.12Å; I270-N273 PolarHBondContact O-N 2.85Å; N273-I275 VanDerWaalsContact C-N 3.33Å; N273-I275 PolarHBondContact O-N 3.2Å; N273-I276 PolarHBondContact O-N 2.93Å; N273-D277 PolarHBondContact O-N 2.9Å |
| 274 | K | 74 | Confident | 68.9 | Low | 122 Ų | 122 | 110.7 Ų | 110.7 | 53% | 0.53 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.1 | -36.8 | 176.5 | -164.7 | 177 | -179.3 | -178.3 | 0 | 112.7 | I270 W271 I272 I276 D278 | I270-K274 WeakPolarHBondContact O-CB 3.33Å; I270-K274 PolarHBondContact O-N 3.19Å; W271-K274 PolarHBondContact O-N 2.77Å; I272-K274 VanDerWaalsContact C-N 3.29Å; I272-K274 PolarHBondContact O-N 3.3Å; K274-I276 VanDerWaalsContact C-N 3.32Å; K274-D278 WeakPolarHBondContact O-CB 3.35Å; K274-D278 PolarHBondContact O-N 3.37Å; K274-D278 VanDerWaalsContact O-N 3.17Å |
| 275 | I | 73.1 | Confident | 69.3 | Low | 80 Ų | 80 | 113.2 Ų | 113.2 | 41% | 0.41 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.5 | -36.9 | 174.6 | -66.4 | 168.4 | 0 | 0 | 0 | 111.3 | W271 I272 N273 S279 | W271-I275 HydrophobicContact CD2-CD1 3.79Å; W271-I275 HydrophobicContact CE3-CD1 3.71Å; W271-I275 HydrophobicContact CH2-CD1 3.48Å; W271-I275 VanDerWaalsContact CH2-CD1 3.48Å; W271-I275 HydrophobicContact CZ2-CD1 3.56Å; W271-I275 HydrophobicContact CZ3-CD1 3.55Å; W271-I275 WeakPolarHBondContact O-CG1 3.39Å; W271-I275 PolarHBondContact O-N 3.25Å; I272-I275 PolarHBondContact O-N 3.16Å; N273-I275 VanDerWaalsContact C-N 3.33Å; N273-I275 PolarHBondContact O-N 3.2Å; I275-S279 PolarHBondContact O-OG 2.97Å |
| 276 | I | 71.5 | Confident | 69.7 | Low | 102 Ų | 102 | 112.5 Ų | 112.5 | 52% | 0.523 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.5 | -41.4 | 179 | -65 | 168.6 | 0 | 0 | 0 | 111 | I272 N273 K274 S279 | I272-I276 HydrophobicContact CG2-CD1 3.87Å; I272-I276 WeakPolarHBondContact O-CG1 3.42Å; I272-I276 PolarHBondContact O-N 3.21Å; I272-I276 VanDerWaalsContact O-N 3.12Å; N273-I276 PolarHBondContact O-N 2.93Å; K274-I276 VanDerWaalsContact C-N 3.32Å; I276-S279 PolarHBondContact O-N 3.05Å |
| 277 | D | 66.2 | Low | 69.9 | Low | 133 Ų | 133 | 115 Ų | 115 | 71% | 0.711 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.4 | -27.4 | -179.1 | -71.7 | -21.9 | 0 | 0 | 0 | 113.3 | N273 S279 | N273-D277 PolarHBondContact O-N 2.9Å; D277-S279 VanDerWaalsContact C-N 3.3Å |
| 278 | D | 66 | Low | 70.1 | Confident | 134 Ų | 134 | 115.8 Ų | 115.8 | 72% | 0.717 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 0.7 | 176.6 | -73.6 | -21.4 | 0 | 0 | 0 | 113.2 | K274 | K274-D278 WeakPolarHBondContact O-CB 3.35Å; K274-D278 PolarHBondContact O-N 3.37Å; K274-D278 VanDerWaalsContact O-N 3.17Å |
| 279 | S | 57.6 | Low | 70.1 | Confident | 155 Ų | 155 | 120.3 Ų | 120.3 | 100% | 1.084 | 60% | 0.603 | S | S | * | * | trans | -104.7 | 0 | 178.7 | -61.9 | 0 | 0 | 0 | 0 | 113 | I275 I276 D277 | I275-S279 PolarHBondContact O-OG 2.97Å; I276-S279 PolarHBondContact O-N 3.05Å; D277-S279 VanDerWaalsContact C-N 3.3Å |
Retrieved 279 of 279 residues in 70.4 ms
(Link to these results)