| 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 | 42.7 | Very low | 39.1 | Very low | 236 Ų | 236 | 151.3 Ų | 151.3 | 100% | 1.163 | 87% | 0.867 | S | S | * | * | 0 | 81.5 | 0 | -67.8 | 172.8 | 157.2 | 0 | 0 | 105.5 | |||||
| 2 | S | 37.6 | Very low | 39.2 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 81% | 0.811 | 87% | 0.867 | S | S | * | * | 98.1 | 102.1 | 84.5 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 3 | N | 37 | Very low | 39 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 84% | 0.84 | 86% | 0.859 | S | S | * | * | trans | -49.1 | 156.1 | 161.9 | -63.6 | -20 | 0 | 0 | 0 | 112 | ||||
| 4 | S | 40.7 | Very low | 39.1 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 87% | 0.865 | S | S | * | * | 177.6 | 120.1 | 123 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 5 | D | 37.3 | Very low | 38.9 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 83% | 0.829 | 87% | 0.866 | S | S | * | * | trans | -54.9 | 151.7 | 157.5 | -60.5 | -66.5 | 0 | 0 | 0 | 112.7 | ||||
| 6 | L | 43.8 | Very low | 38.9 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 93% | 0.927 | 86% | 0.861 | S | S | * | * | trans | -145.7 | 117.6 | 151.8 | -88.4 | 171.8 | 0 | 0 | 0 | 110.6 | ||||
| 7 | S | 35.7 | Very low | 38.8 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 87% | 0.865 | S | S | * | * | trans | -98.8 | 152.8 | 166.9 | 51.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 8 | G | 38.7 | Very low | 38.9 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 86% | 0.859 | S | S | * | * | trans | 174.7 | 103.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 9 | R | 38.3 | Very low | 39 | Very low | 247 Ų | 247 | 132.2 Ų | 132.2 | 93% | 0.932 | 85% | 0.852 | S | S | * | * | 76.3 | 112.5 | 85.8 | -90.3 | -172.7 | 168.4 | -175.3 | -2.1 | 114.7 | |||||
| 10 | H | 40.5 | Very low | 39.2 | Very low | 198 Ų | 198 | 132 Ų | 132 | 92% | 0.917 | 85% | 0.851 | S | S | * | * | trans | -175.3 | 127.6 | 135.9 | -92.4 | -48.5 | 0 | 0 | 0 | 107.1 | ||||
| 11 | G | 38.4 | Very low | 39.3 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 85% | 0.85 | S | S | * | * | cis | 106.1 | 101.7 | 13.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 12 | G | 40.3 | Very low | 39.4 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | trans | 158.9 | 97.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 13 | G | 35.5 | Very low | 39.7 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | -90.9 | 159 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 14 | L | 40.9 | Very low | 40 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 95% | 0.948 | 84% | 0.835 | S | S | * | * | trans | -142.2 | 117.8 | 161.1 | -80.3 | 169.4 | 0 | 0 | 0 | 108.9 | ||||
| 15 | S | 36.6 | Very low | 40 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -75.3 | 137.3 | 167.8 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 16 | G | 38.4 | Very low | 40.3 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -154.6 | 111.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 17 | A | 37 | Very low | 40.1 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | -68.3 | 141.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 18 | A | 40.1 | Very low | 40.5 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -161.6 | 112.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 19 | S | 42.4 | Very low | 40.7 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | 56.8 | 126.3 | 147.5 | -48.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 20 | P | 41.5 | Very low | 40.9 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 122.8 | 160.6 | 32.9 | -24.8 | 0 | 0 | 0 | 108.7 | ||
| 21 | D | 41.7 | Very low | 41.2 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 138.3 | 169.4 | -75.8 | -45.2 | 0 | 0 | 0 | 109.7 | ||
| 22 | P | 45.6 | Very low | 41.7 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 153.7 | -172.2 | 32.1 | -33.2 | 0 | 0 | 0 | 111.3 | E24 | P22-E24 PolarHBondContact O-N 3.14Å; P22-E24 VanDerWaalsContact O-N 3.16Å |
| 23 | E | 42.9 | Very low | 42.1 | Very low | 194 Ų | 194 | 126.8 Ų | 126.8 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -40.7 | 113.9 | 172.6 | -64.8 | 166.2 | 147.8 | 0 | 0 | 111.6 | ||||
| 24 | E | 43.2 | Very low | 42.9 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 129.4 | 164.8 | -77.8 | -170.1 | 152.4 | 0 | 0 | 108.2 | P22 | P22-E24 PolarHBondContact O-N 3.14Å; P22-E24 VanDerWaalsContact O-N 3.16Å |
| 25 | P | 41.4 | Very low | 43.1 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 140.6 | 177.4 | 27.5 | -32 | 0 | 0 | 0 | 109.1 | F27 | P25-F27 PolarHBondContact O-N 3.35Š|
| 26 | A | 43.3 | Very low | 43.2 | Very low | 88 Ų | 88 | 126.4 Ų | 126.4 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 130.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | E28 | A26-E28 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.35Å |
| 27 | F | 40.6 | Very low | 43.2 | Very low | 215 Ų | 215 | 129.6 Ų | 129.6 | 94% | 0.943 | 77% | 0.772 | S | S | * | * | trans | -55.7 | 103.9 | 168.9 | -113 | -101.6 | 0 | 0 | 0 | 107.3 | P25 D29 | P25-F27 PolarHBondContact O-N 3.35Å; F27-D29 PolarHBondContact O-N 2.98Å | ||
| 28 | E | 43 | Very low | 43.4 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -64.2 | 127.3 | 170 | -71 | -179.8 | 163.6 | 0 | 0 | 107 | A26 E30 | A26-E28 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.35Å; E28-E30 VanDerWaalsContact C-N 3.28Å; E28-E30 PolarHBondContact O-N 3.46Å | ||
| 29 | D | 42.6 | Very low | 43.3 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | -68.8 | 86 | 180 | -162.3 | -5.5 | 0 | 0 | 0 | 108.7 | F27 S31 A32 | F27-D29 PolarHBondContact O-N 2.98Å; D29-S31 VanDerWaalsContact CG-OG 3.29Å; D29-S31 PolarHBondContact O-N 2.95Å; D29-S31 WeakPolarHBondContact OD1-CB 3.46Å; D29-S31 PolarHBondContact OD1-OG 3.33Å; D29-A32 PolarHBondContact O-N 3.04Å | ||
| 30 | E | 43.7 | Very low | 43 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -66.8 | 5.8 | 175.5 | -76 | -164.2 | 147.3 | 0 | 0 | 113.2 | E28 A32 | E28-E30 VanDerWaalsContact C-N 3.28Å; E28-E30 PolarHBondContact O-N 3.46Å; E30-A32 PolarHBondContact O-N 3.02Å |
| 31 | S | 47.2 | Very low | 43 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -72.6 | -15.9 | 170 | 69.9 | 0 | 0 | 0 | 0 | 113.5 | D29 | D29-S31 VanDerWaalsContact CG-OG 3.29Å; D29-S31 PolarHBondContact O-N 2.95Å; D29-S31 WeakPolarHBondContact OD1-CB 3.46Å; D29-S31 PolarHBondContact OD1-OG 3.33Å |
| 32 | A | 48.3 | Very low | 43.1 | Very low | 72 Ų | 72 | 138.8 Ų | 138.8 | 60% | 0.595 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -83.4 | -12.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D29 E30 | D29-A32 PolarHBondContact O-N 3.04Å; E30-A32 PolarHBondContact O-N 3.02Å |
| 33 | A | 48.5 | Very low | 43.1 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -89.2 | -1.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 34 | I | 52 | Low | 43.2 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -89.6 | -13.6 | 171.1 | -72.7 | 175.9 | 0 | 0 | 0 | 111.6 | G36 | I34-G36 PolarHBondContact O-N 3.43Š|
| 35 | L | 44.9 | Very low | 43.5 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -94.5 | 91.7 | 173.2 | -66 | 174.1 | 0 | 0 | 0 | 108.1 | D37 | L35-D37 PolarHBondContact O-N 3.4Å; L35-D37 VanDerWaalsContact O-N 3.16Å |
| 36 | G | 40 | Very low | 44.4 | Very low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -51 | 117.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I34 D38 | I34-G36 PolarHBondContact O-N 3.43Å; G36-D38 PolarHBondContact O-N 3.16Å | ||
| 37 | D | 36.5 | Very low | 45.1 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -38.7 | 115.7 | 149.8 | -172.9 | 28 | 0 | 0 | 0 | 109.6 | L35 | L35-D37 PolarHBondContact O-N 3.4Å; L35-D37 VanDerWaalsContact O-N 3.16Å | ||
| 38 | D | 41.6 | Very low | 45.9 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -172.9 | 110.8 | 139.9 | -90.8 | -34.2 | 0 | 0 | 0 | 109 | G36 | G36-D38 PolarHBondContact O-N 3.16Š| ||
| 39 | N | 39.3 | Very low | 46.8 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 44 | 93.2 | 148.2 | -60.7 | -44.5 | 0 | 0 | 0 | 117.4 | D41 | N39-D41 PolarHBondContact O-N 3.24Š| ||
| 40 | L | 36.2 | Very low | 47.9 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.6 | 118.4 | 138.4 | -67.9 | 157.5 | 0 | 0 | 0 | 108.8 | ||
| 41 | D | 39.9 | Very low | 49 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.8 | 5.9 | 134.5 | -76.3 | -16 | 0 | 0 | 0 | 115.6 | N39 | N39-D41 PolarHBondContact O-N 3.24Š|
| 42 | E | 44.4 | Very low | 50.1 | Low | 186 Ų | 186 | 132.6 Ų | 132.6 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -128.9 | -7.4 | -177.3 | -69.3 | -170.7 | 172.4 | 0 | 0 | 118.9 | ||
| 43 | E | 45.3 | Very low | 51.4 | Low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -104.8 | 3.7 | -171.6 | -67.5 | -167.5 | 170.2 | 0 | 0 | 117.1 | E45 | E43-E45 VanDerWaalsContact C-N 3.28Å; E43-E45 PolarHBondContact O-N 2.88Å |
| 44 | E | 45.6 | Very low | 52.5 | Low | 197 Ų | 197 | 137.9 Ų | 137.9 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -80.1 | 2.8 | 178.4 | -72.1 | -168.9 | 169.5 | 0 | 0 | 115.1 | ||
| 45 | E | 50 | Low | 53.4 | Low | 195 Ų | 195 | 134.4 Ų | 134.4 | 91% | 0.911 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -88.8 | -9.9 | -176.8 | -121.6 | 178.5 | -167.2 | 0 | 0 | 115.1 | E43 | E43-E45 VanDerWaalsContact C-N 3.28Å; E43-E45 PolarHBondContact O-N 2.88Å |
| 46 | S | 60.1 | Low | 54.7 | Low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -103.3 | 5.9 | -178.8 | 83.6 | 0 | 0 | 0 | 0 | 115 | ||
| 47 | G | 57.1 | Low | 56.3 | Low | 54 Ų | 54 | 139.9 Ų | 139.9 | 56% | 0.557 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -79.2 | 136.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N49 | G47-N49 PolarHBondContact O-N 3.38Š|
| 48 | E | 57.4 | Low | 57.8 | Low | 152 Ų | 152 | 137.8 Ų | 137.8 | 71% | 0.71 | 71% | 0.706 | S | S | * | * | trans | -51.8 | 114.5 | 168.1 | -64.5 | 177.1 | -175.1 | 0 | 0 | 109 | L50 | E48-L50 HydrophobicContact CB-CG 4.46Å; E48-L50 PolarHBondContact O-N 3.3Å | ||
| 49 | N | 61.7 | Low | 59.2 | Low | 101 Ų | 101 | 140.1 Ų | 140.1 | 54% | 0.54 | 71% | 0.706 | S | S | . | * | trans | -82.1 | 75.7 | -174.8 | -144.7 | -14.2 | 0 | 0 | 0 | 108.7 | G47 F51 G52 | G47-N49 PolarHBondContact O-N 3.38Å; N49-F51 PolarHBondContact O-N 3.4Å; N49-G52 PolarHBondContact O-N 2.9Å | ||
| 50 | L | 66.7 | Low | 61 | Low | 102 Ų | 102 | 141.3 Ų | 141.3 | 53% | 0.534 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -10.8 | -169.8 | -71.2 | 168.2 | 0 | 0 | 0 | 115.3 | E48 | E48-L50 HydrophobicContact CB-CG 4.46Å; E48-L50 PolarHBondContact O-N 3.3Å |
| 51 | F | 67.5 | Low | 62.9 | Low | 201 Ų | 201 | 138.7 Ų | 138.7 | 88% | 0.882 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.1 | 4.7 | -175.1 | -57.5 | -78.8 | 0 | 0 | 0 | 114 | N49 | N49-F51 PolarHBondContact O-N 3.4Š|
| 52 | G | 70.3 | Confident | 64.7 | Low | 24 Ų | 24 | 135.3 Ų | 135.3 | 25% | 0.247 | 67% | 0.673 | C | S | . | * | S | Bend | trans | -89.8 | 157.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | N49 D54 M55 | N49-G52 PolarHBondContact O-N 2.9Å; G52-D54 PolarHBondContact O-N 3.24Å; G52-M55 WeakPolarHBondContact O-CB 3.44Å; G52-M55 PolarHBondContact O-N 3.35Å; G52-M55 VanDerWaalsContact O-N 3.11Å |
| 53 | D | 73.8 | Confident | 66.2 | Low | 171 Ų | 171 | 130.9 Ų | 130.9 | 91% | 0.914 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -16.8 | 175 | -70.7 | -20.9 | 0 | 0 | 0 | 113 | ||
| 54 | D | 71.9 | Confident | 67.6 | Low | 100 Ų | 100 | 130 Ų | 130 | 54% | 0.535 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | 1.3 | 178.9 | -62.6 | -42 | 0 | 0 | 0 | 114.3 | G52 E56 R57 | G52-D54 PolarHBondContact O-N 3.24Å; D54-E56 PolarHBondContact O-N 2.9Å; D54-R57 WeakPolarHBondContact O-CB 3.41Å; D54-R57 PolarHBondContact O-N 2.62Å |
| 55 | M | 71 | Confident | 68.9 | Low | 80 Ų | 80 | 127.1 Ų | 127.1 | 39% | 0.394 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -50.9 | -31.7 | -178.3 | -175 | -168.5 | -171.9 | 0 | 0 | 113.6 | G52 R57 D58 Y59 | G52-M55 WeakPolarHBondContact O-CB 3.44Å; G52-M55 PolarHBondContact O-N 3.35Å; G52-M55 VanDerWaalsContact O-N 3.11Å; M55-R57 PolarHBondContact O-N 3.31Å; M55-D58 PolarHBondContact O-N 3.02Å; M55-Y59 HydrophobicContact CE-CE2 4.34Å |
| 56 | E | 71.7 | Confident | 69.9 | Low | 173 Ų | 173 | 124 Ų | 124 | 81% | 0.808 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -68.4 | -15 | 179.9 | -65 | -174.4 | 167.9 | 0 | 0 | 113.8 | D54 | D54-E56 PolarHBondContact O-N 2.9Š|
| 57 | R | 74 | Confident | 70.8 | Confident | 160 Ų | 160 | 123.5 Ų | 123.5 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -75.3 | -28.2 | 178.7 | -74.8 | -173.7 | 175.1 | -169.5 | 3 | 113.4 | D54 M55 Y59 R60 | D54-R57 WeakPolarHBondContact O-CB 3.41Å; D54-R57 PolarHBondContact O-N 2.62Å; M55-R57 PolarHBondContact O-N 3.31Å; R57-Y59 PolarHBondContact O-N 3.05Å; R57-R60 WeakPolarHBondContact O-CG 3.43Å; R57-R60 PolarHBondContact O-N 3.2Å |
| 58 | D | 67.9 | Low | 71.6 | Confident | 102 Ų | 102 | 130.5 Ų | 130.5 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.5 | -20.1 | -177.1 | -65.5 | -16.8 | 0 | 0 | 0 | 112.3 | M55 R60 | M55-D58 PolarHBondContact O-N 3.02Å; D58-R60 VanDerWaalsContact C-N 3.33Å; D58-R60 PolarHBondContact O-N 3.01Å |
| 59 | Y | 72.2 | Confident | 72.5 | Confident | 183 Ų | 183 | 131.3 Ų | 131.3 | 72% | 0.718 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 15.2 | 177.7 | -68.1 | -79.6 | 0 | 0 | 0 | 114.5 | M55 R57 P61 | M55-Y59 HydrophobicContact CE-CE2 4.34Å; R57-Y59 PolarHBondContact O-N 3.05Å; Y59-P61 WeakPolarHBondContact O-CD 3.49Å |
| 60 | R | 76.3 | Confident | 73 | Confident | 167 Ų | 167 | 130.8 Ų | 130.8 | 63% | 0.63 | 65% | 0.652 | S | S | * | * | trans | -73.7 | 123.7 | 175.2 | -72.2 | 179.2 | -179.7 | -173 | 1.8 | 109.5 | R57 D58 I62 | R57-R60 WeakPolarHBondContact O-CG 3.43Å; R57-R60 PolarHBondContact O-N 3.2Å; D58-R60 VanDerWaalsContact C-N 3.33Å; D58-R60 PolarHBondContact O-N 3.01Å; R60-I62 PolarHBondContact O-N 3.5Å | ||
| 61 | P | 75.2 | Confident | 73.4 | Confident | 108 Ų | 108 | 134.7 Ų | 134.7 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | trans | -62.2 | 124.9 | 177.1 | 23.7 | -31.1 | 0 | 0 | 0 | 109.7 | Y59 P63 | Y59-P61 WeakPolarHBondContact O-CD 3.49Å; P61-P63 WeakPolarHBondContact O-CD 3.46Å | ||
| 62 | I | 78.4 | Confident | 73.5 | Confident | 84 Ų | 84 | 129 Ų | 129 | 43% | 0.431 | 67% | 0.666 | S | S | . | * | trans | -104.8 | 100.6 | 173.1 | -59.7 | 170.2 | 0 | 0 | 0 | 106.3 | R60 E64 L65 D66 | R60-I62 PolarHBondContact O-N 3.5Å; I62-E64 HydrophobicContact CG2-CB 4.36Å; I62-E64 PolarHBondContact O-N 3.06Å; I62-L65 HydrophobicContact CB-CB 4.43Å; I62-L65 HydrophobicContact CB-CD1 4.16Å; I62-L65 HydrophobicContact CD1-CD1 3.9Å; I62-L65 HydrophobicContact CG2-CB 4.36Å; I62-L65 HydrophobicContact CG2-CD1 3.97Å; I62-L65 HydrophobicContact CG2-CG 4.17Å; I62-L65 PolarHBondContact O-N 2.7Å; I62-D66 PolarHBondContact O-N 2.78Å | ||
| 63 | P | 77 | Confident | 73.4 | Confident | 94 Ų | 94 | 133 Ų | 133 | 61% | 0.61 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -20.4 | -173.4 | -23.7 | 33.7 | 0 | 0 | 0 | 114.2 | P61 | P61-P63 WeakPolarHBondContact O-CD 3.46Š|
| 64 | E | 74.7 | Confident | 73.1 | Confident | 163 Ų | 163 | 128.1 Ų | 128.1 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -25.7 | 179 | -62.5 | 125.6 | -179.8 | 0 | 0 | 113.2 | I62 | I62-E64 HydrophobicContact CG2-CB 4.36Å; I62-E64 PolarHBondContact O-N 3.06Å |
| 65 | L | 72.8 | Confident | 73.1 | Confident | 138 Ų | 138 | 128.5 Ų | 128.5 | 72% | 0.723 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -12.9 | 178.1 | -73.6 | 165.6 | 0 | 0 | 0 | 112.7 | I62 V67 | I62-L65 HydrophobicContact CB-CB 4.43Å; I62-L65 HydrophobicContact CB-CD1 4.16Å; I62-L65 HydrophobicContact CD1-CD1 3.9Å; I62-L65 HydrophobicContact CG2-CB 4.36Å; I62-L65 HydrophobicContact CG2-CD1 3.97Å; I62-L65 HydrophobicContact CG2-CG 4.17Å; I62-L65 PolarHBondContact O-N 2.7Å; L65-V67 PolarHBondContact O-N 3Å |
| 66 | D | 71.1 | Confident | 72.8 | Confident | 130 Ų | 130 | 130.4 Ų | 130.4 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -80.7 | 2.6 | 177.2 | -91.2 | -17.2 | 0 | 0 | 0 | 113.6 | I62 | I62-D66 PolarHBondContact O-N 2.78Š|
| 67 | V | 77.9 | Confident | 72.6 | Confident | 107 Ų | 107 | 129.1 Ų | 129.1 | 65% | 0.648 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -114.1 | 121.2 | 177.6 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | L65 | L65-V67 PolarHBondContact O-N 3Š|
| 68 | Y | 75 | Confident | 72.2 | Confident | 200 Ų | 200 | 128.1 Ų | 128.1 | 78% | 0.784 | 69% | 0.686 | S | S | * | * | trans | -57.7 | 138.5 | 171.1 | -68.4 | -77 | 0 | 0 | 0 | 110.5 | A70 L73 | Y68-A70 PolarHBondContact O-N 3.35Å; Y68-L73 HydrophobicContact CG-CD1 4.48Å | ||
| 69 | E | 74.5 | Confident | 71.9 | Confident | 170 Ų | 170 | 130.9 Ų | 130.9 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | trans | -58.5 | 130.8 | 169.2 | -74.6 | -176.9 | 153.8 | 0 | 0 | 109.6 | E71 | E69-E71 PolarHBondContact O-N 3.43Å; E69-E71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | A | 72.3 | Confident | 71.3 | Confident | 89 Ų | 89 | 129.2 Ų | 129.2 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -66.8 | -14.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y68 G72 | Y68-A70 PolarHBondContact O-N 3.35Å; A70-G72 PolarHBondContact O-N 3.06Å |
| 71 | E | 75.3 | Confident | 70.9 | Confident | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 109.7 | -178.7 | -157.4 | 168.6 | -159.7 | 0 | 0 | 110.2 | E69 | E69-E71 PolarHBondContact O-N 3.43Å; E69-E71 VanDerWaalsContact O-N 3.14Å |
| 72 | G | 69.8 | Low | 70.5 | Confident | 82 Ų | 82 | 134.4 Ų | 134.4 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.5 | -5.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A70 | A70-G72 PolarHBondContact O-N 3.06Š|
| 73 | L | 69.3 | Low | 70.2 | Confident | 106 Ų | 106 | 136.1 Ų | 136.1 | 56% | 0.555 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 128 | 164.5 | -91.8 | 158.9 | 0 | 0 | 0 | 109.4 | Y68 D75 | Y68-L73 HydrophobicContact CG-CD1 4.48Å; L73-D75 PolarHBondContact O-N 3.23Å |
| 74 | A | 66.7 | Low | 70.5 | Confident | 70 Ų | 70 | 134.4 Ų | 134.4 | 58% | 0.579 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -59 | 135.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P76 | A74-P76 WeakPolarHBondContact O-CD 3.47Š|
| 75 | D | 71.5 | Confident | 70.9 | Confident | 107 Ų | 107 | 131.9 Ų | 131.9 | 57% | 0.572 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 122.1 | 176.4 | -154.3 | -15.4 | 0 | 0 | 0 | 107.6 | L73 D77 E78 | L73-D75 PolarHBondContact O-N 3.23Å; D75-D77 PolarHBondContact O-N 2.94Å; D75-E78 HydrophobicContact CB-CB 4.32Å; D75-E78 PolarHBondContact O-N 3.43Å |
| 76 | P | 65.2 | Low | 71.3 | Confident | 120 Ų | 120 | 131.5 Ų | 131.5 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -13 | -172.7 | 19.2 | -32 | 0 | 0 | 0 | 114.7 | A74 | A74-P76 WeakPolarHBondContact O-CD 3.47Š|
| 77 | D | 67.6 | Low | 72 | Confident | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 3.4 | 177.9 | -66.3 | -31.1 | 0 | 0 | 0 | 113.7 | D75 D79 | D75-D77 PolarHBondContact O-N 2.94Å; D77-D79 PolarHBondContact O-N 3.03Å |
| 78 | E | 66 | Low | 72.2 | Confident | 138 Ų | 138 | 130.3 Ų | 130.3 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | trans | -87.5 | 95.5 | 177.2 | -155.6 | 172.3 | -151.6 | 0 | 0 | 110.5 | D75 L80 | D75-E78 HydrophobicContact CB-CB 4.32Å; D75-E78 PolarHBondContact O-N 3.43Å; E78-L80 PolarHBondContact O-N 3.33Å | ||
| 79 | D | 60.9 | Low | 72.5 | Confident | 161 Ų | 161 | 122.5 Ų | 122.5 | 86% | 0.861 | 68% | 0.679 | S | S | * | * | trans | -62 | 92.7 | 170.7 | -74.7 | -38.9 | 0 | 0 | 0 | 109.8 | D77 E81 | D77-D79 PolarHBondContact O-N 3.03Å; D79-E81 PolarHBondContact O-N 3.35Å; D79-E81 VanDerWaalsContact O-N 3.16Å | ||
| 80 | L | 61 | Low | 72.9 | Confident | 147 Ų | 147 | 120.2 Ų | 120.2 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | trans | -64.1 | 111.7 | 170.9 | -79.4 | 156.6 | 0 | 0 | 0 | 109.2 | E78 E82 | E78-L80 PolarHBondContact O-N 3.33Å; L80-E82 PolarHBondContact O-N 3.16Å | ||
| 81 | E | 66.8 | Low | 73.5 | Confident | 185 Ų | 185 | 118.1 Ų | 118.1 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | trans | -51.3 | 132.1 | 172.4 | -67 | -177.5 | 171 | 0 | 0 | 110.1 | D79 L83 | D79-E81 PolarHBondContact O-N 3.35Å; D79-E81 VanDerWaalsContact O-N 3.16Å; E81-L83 PolarHBondContact O-N 2.98Å | ||
| 82 | E | 66.8 | Low | 73.9 | Confident | 199 Ų | 199 | 113 Ų | 113 | 93% | 0.93 | 63% | 0.627 | S | S | * | * | trans | -54.9 | 107.8 | 178.6 | -74.2 | -175.2 | 167.4 | 0 | 0 | 110.2 | L80 S84 | L80-E82 PolarHBondContact O-N 3.16Å; E82-S84 PolarHBondContact O-N 3.4Å | ||
| 83 | L | 73.1 | Confident | 74.6 | Confident | 120 Ų | 120 | 116.4 Ų | 116.4 | 63% | 0.628 | 62% | 0.615 | S | S | * | * | trans | -53.9 | 128.9 | 173 | -95.3 | 145.3 | 0 | 0 | 0 | 109.3 | E81 T87 | E81-L83 PolarHBondContact O-N 2.98Å; L83-T87 HydrophobicContact CD2-CG2 4.26Å; L83-T87 WeakPolarHBondContact CD2-OG1 3.46Å | ||
| 84 | S | 83.3 | Confident | 75.4 | Confident | 59 Ų | 59 | 115.7 Ų | 115.7 | 41% | 0.413 | 61% | 0.609 | S | S | . | * | trans | -53.8 | 148.9 | 175 | 83.3 | 0 | 0 | 0 | 0 | 110.4 | E82 N86 T87 R88 | E82-S84 PolarHBondContact O-N 3.4Å; S84-N86 PolarHBondContact O-N 2.72Å; S84-T87 WeakPolarHBondContact CA-OG1 3.44Å; S84-T87 WeakPolarHBondContact CB-OG1 3.37Å; S84-T87 PolarHBondContact N-OG1 2.89Å; S84-T87 PolarHBondContact O-N 3.08Å; S84-T87 PolarHBondContact O-OG1 3.27Å; S84-T87 PolarHBondContact OG-N 3.46Å; S84-T87 PolarHBondContact OG-OG1 2.89Å; S84-R88 PolarHBondContact O-N 3.41Å | ||
| 85 | P | 81.3 | Confident | 76.2 | Confident | 109 Ų | 109 | 117.8 Ų | 117.8 | 71% | 0.708 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -53.3 | -34.5 | -179 | -27 | 33.4 | 0 | 0 | 0 | 113.3 | A89 | P85-A89 WeakPolarHBondContact O-CB 3.5Å; P85-A89 PolarHBondContact O-N 3.3Å |
| 86 | N | 81.5 | Confident | 76.7 | Confident | 131 Ų | 131 | 119 Ų | 119 | 70% | 0.701 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.5 | -44.5 | 177.9 | -73.4 | -14.8 | 0 | 0 | 0 | 112.3 | S84 R88 A89 E90 | S84-N86 PolarHBondContact O-N 2.72Å; N86-R88 VanDerWaalsContact C-N 3.32Å; N86-R88 PolarHBondContact O-N 3.47Å; N86-A89 PolarHBondContact O-N 2.99Å; N86-E90 WeakPolarHBondContact O-CB 3.48Å; N86-E90 PolarHBondContact O-N 2.88Å |
| 87 | T | 85.7 | Confident | 77.5 | Confident | 56 Ų | 56 | 119.6 Ų | 119.6 | 34% | 0.344 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.3 | -33.7 | 177.7 | 31.9 | 0 | 0 | 0 | 0 | 112 | L83 S84 E90 A91 | L83-T87 HydrophobicContact CD2-CG2 4.26Å; L83-T87 WeakPolarHBondContact CD2-OG1 3.46Å; S84-T87 WeakPolarHBondContact CA-OG1 3.44Å; S84-T87 WeakPolarHBondContact CB-OG1 3.37Å; S84-T87 PolarHBondContact N-OG1 2.89Å; S84-T87 PolarHBondContact O-N 3.08Å; S84-T87 PolarHBondContact O-OG1 3.27Å; S84-T87 PolarHBondContact OG-N 3.46Å; S84-T87 PolarHBondContact OG-OG1 2.89Å; T87-E90 PolarHBondContact O-N 3.47Å; T87-A91 WeakPolarHBondContact O-CB 3.47Å; T87-A91 PolarHBondContact O-N 3.12Å |
| 88 | R | 81.7 | Confident | 78.1 | Confident | 155 Ų | 155 | 120.1 Ų | 120.1 | 59% | 0.585 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.9 | -47.9 | 172.1 | -177.7 | -178.1 | 168.2 | 125.7 | 5.7 | 111.8 | S84 N86 E90 A91 E92 | S84-R88 PolarHBondContact O-N 3.41Å; N86-R88 VanDerWaalsContact C-N 3.32Å; N86-R88 PolarHBondContact O-N 3.47Å; R88-E90 PolarHBondContact O-N 2.9Å; R88-A91 PolarHBondContact O-N 3.02Å; R88-E92 IonicContact CZ-OE1 2.83Å; R88-E92 IonicContact NE-OE1 2.81Å; R88-E92 PolarHBondContact NE-OE1 3.32Å; R88-E92 IonicContact NH2-OE1 3.82Å; R88-E92 PolarHBondContact NH2-OE1 3.32Å; R88-E92 PolarHBondContact O-N 3.33Å |
| 89 | A | 82 | Confident | 78.7 | Confident | 37 Ų | 37 | 117.8 Ų | 117.8 | 31% | 0.306 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.6 | -30.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P85 N86 R93 | P85-A89 WeakPolarHBondContact O-CB 3.5Å; P85-A89 PolarHBondContact O-N 3.3Å; N86-A89 PolarHBondContact O-N 2.99Å; A89-R93 WeakPolarHBondContact O-CB 3.4Å; A89-R93 PolarHBondContact O-N 3.04Å; A89-R93 VanDerWaalsContact O-N 3.15Å |
| 90 | E | 83.7 | Confident | 79.4 | Confident | 121 Ų | 121 | 119.1 Ų | 119.1 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.8 | -42.6 | 174.1 | -166.7 | 165.5 | -159.8 | 0 | 0 | 112 | N86 T87 R88 R93 E94 | N86-E90 WeakPolarHBondContact O-CB 3.48Å; N86-E90 PolarHBondContact O-N 2.88Å; T87-E90 PolarHBondContact O-N 3.47Å; R88-E90 PolarHBondContact O-N 2.9Å; E90-R93 PolarHBondContact O-N 3.02Å; E90-E94 PolarHBondContact O-N 3.29Å |
| 91 | A | 84.5 | Confident | 80.2 | Confident | 46 Ų | 46 | 117.5 Ų | 117.5 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -41.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T87 R88 R93 E94 M95 | T87-A91 WeakPolarHBondContact O-CB 3.47Å; T87-A91 PolarHBondContact O-N 3.12Å; R88-A91 PolarHBondContact O-N 3.02Å; A91-R93 VanDerWaalsContact C-N 3.34Å; A91-R93 PolarHBondContact O-N 2.94Å; A91-E94 PolarHBondContact O-N 3Å; A91-M95 PolarHBondContact O-N 3.49Å |
| 92 | E | 84.6 | Confident | 80.5 | Confident | 77 Ų | 77 | 116.4 Ų | 116.4 | 36% | 0.36 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 174.4 | -81.8 | 172.3 | -173.5 | 0 | 0 | 112 | R88 M95 R96 | R88-E92 IonicContact CZ-OE1 2.83Å; R88-E92 IonicContact NE-OE1 2.81Å; R88-E92 PolarHBondContact NE-OE1 3.32Å; R88-E92 IonicContact NH2-OE1 3.82Å; R88-E92 PolarHBondContact NH2-OE1 3.32Å; R88-E92 PolarHBondContact O-N 3.33Å; E92-M95 HydrophobicContact CG-CE 4.39Å; E92-R96 WeakPolarHBondContact O-CB 3.3Å; E92-R96 PolarHBondContact O-N 3.27Å |
| 93 | R | 83.7 | Confident | 80.6 | Confident | 153 Ų | 153 | 111.9 Ų | 111.9 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 173.5 | -110.3 | -179.3 | -78.6 | 115 | -1.3 | 112.2 | A89 E90 A91 R97 | A89-R93 WeakPolarHBondContact O-CB 3.4Å; A89-R93 PolarHBondContact O-N 3.04Å; A89-R93 VanDerWaalsContact O-N 3.15Å; E90-R93 PolarHBondContact O-N 3.02Å; A91-R93 VanDerWaalsContact C-N 3.34Å; A91-R93 PolarHBondContact O-N 2.94Å; R93-R97 PolarHBondContact O-N 2.93Å |
| 94 | E | 85.9 | Confident | 80.6 | Confident | 92 Ų | 92 | 112.8 Ų | 112.8 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 178.5 | -176 | 61.2 | -155.6 | 0 | 0 | 111.8 | E90 A91 R97 R98 | E90-E94 PolarHBondContact O-N 3.29Å; A91-E94 PolarHBondContact O-N 3Å; E94-R97 PolarHBondContact O-N 2.98Å; E94-R97 IonicContact OE1-CZ 3.42Å; E94-R97 IonicContact OE1-NH2 2.62Å; E94-R97 PolarHBondContact OE1-NH2 2.94Å; E94-R97 IonicContact OE2-CZ 3.03Å; E94-R97 IonicContact OE2-NE 3.94Å; E94-R97 IonicContact OE2-NH1 2.88Å; E94-R97 PolarHBondContact OE2-NH1 2.88Å; E94-R97 IonicContact OE2-NH2 2.9Å; E94-R97 PolarHBondContact OE2-NH2 3.3Å; E94-R98 PolarHBondContact O-N 3.01Å |
| 95 | M | 83.1 | Confident | 80.1 | Confident | 113 Ų | 113 | 114.1 Ų | 114.1 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.4 | -46.2 | 174.1 | -75.4 | -171.1 | -72.3 | 0 | 0 | 111.8 | A91 E92 R97 R98 D99 | A91-M95 PolarHBondContact O-N 3.49Å; E92-M95 HydrophobicContact CG-CE 4.39Å; M95-R97 VanDerWaalsContact C-N 3.28Å; M95-R97 PolarHBondContact O-N 3.47Å; M95-R98 PolarHBondContact O-N 3.06Å; M95-R98 VanDerWaalsContact O-N 3.12Å; M95-D99 PolarHBondContact O-N 3.35Å |
| 96 | R | 82.8 | Confident | 79.6 | Confident | 134 Ų | 134 | 114 Ų | 114 | 51% | 0.506 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -35.4 | 178.6 | -157.4 | -168.4 | -103.1 | 108.5 | -21.7 | 111.9 | E92 R100 E121 | E92-R96 WeakPolarHBondContact O-CB 3.3Å; E92-R96 PolarHBondContact O-N 3.27Å; R96-R100 WeakPolarHBondContact O-CB 3.44Å; R96-R100 PolarHBondContact O-N 3.06Å; R96-R100 VanDerWaalsContact O-N 3.13Å; R96-E121 IonicContact NH2-OE1 3.01Å; R96-E121 PolarHBondContact NH2-OE1 3.15Å; R96-E121 VanDerWaalsContact NH2-OE1 3.1Å; R96-E121 IonicContact NH2-OE2 3.48Å |
| 97 | R | 80.9 | Confident | 78.3 | Confident | 132 Ų | 132 | 110.7 Ų | 110.7 | 50% | 0.498 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -48.6 | 172.7 | -172.1 | -179.3 | 79.2 | -142.7 | -1 | 111.3 | R93 E94 M95 D99 R100 E101 | R93-R97 PolarHBondContact O-N 2.93Å; E94-R97 PolarHBondContact O-N 2.98Å; E94-R97 IonicContact OE1-CZ 3.42Å; E94-R97 IonicContact OE1-NH2 2.62Å; E94-R97 PolarHBondContact OE1-NH2 2.94Å; E94-R97 IonicContact OE2-CZ 3.03Å; E94-R97 IonicContact OE2-NE 3.94Å; E94-R97 IonicContact OE2-NH1 2.88Å; E94-R97 PolarHBondContact OE2-NH1 2.88Å; E94-R97 IonicContact OE2-NH2 2.9Å; E94-R97 PolarHBondContact OE2-NH2 3.3Å; M95-R97 VanDerWaalsContact C-N 3.28Å; M95-R97 PolarHBondContact O-N 3.47Å; R97-D99 VanDerWaalsContact C-N 3.35Å; R97-D99 PolarHBondContact O-N 3.03Å; R97-R100 PolarHBondContact O-N 3.32Å; R97-E101 PolarHBondContact O-N 3.11Å |
| 98 | R | 80 | Confident | 76.7 | Confident | 157 Ų | 157 | 110.5 Ų | 110.5 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | -179.9 | -173.6 | -175.5 | 175.3 | 178.9 | -1.5 | 111.7 | E94 M95 E101 R102 | E94-R98 PolarHBondContact O-N 3.01Å; M95-R98 PolarHBondContact O-N 3.06Å; M95-R98 VanDerWaalsContact O-N 3.12Å; R98-E101 PolarHBondContact O-N 2.96Å; R98-R102 WeakPolarHBondContact O-CB 3.44Å; R98-R102 PolarHBondContact O-N 3.02Å |
| 99 | D | 79 | Confident | 75 | Confident | 89 Ų | 89 | 110 Ų | 110 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.7 | -40.1 | 179.2 | -72.5 | -18.1 | 0 | 0 | 0 | 111.7 | M95 R97 E101 R102 L103 | M95-D99 PolarHBondContact O-N 3.35Å; R97-D99 VanDerWaalsContact C-N 3.35Å; R97-D99 PolarHBondContact O-N 3.03Å; D99-E101 PolarHBondContact O-N 2.93Å; D99-R102 PolarHBondContact O-N 3.13Å; D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 VanDerWaalsContact O-CG 3.3Å; D99-L103 WeakPolarHBondContact O-CG 3.5Å; D99-L103 PolarHBondContact O-N 3.1Å |
| 100 | R | 75.9 | Confident | 73.3 | Confident | 189 Ų | 189 | 118.9 Ų | 118.9 | 71% | 0.713 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.1 | -42.9 | 172.8 | -174.6 | -178.6 | -100.9 | -158.1 | -2.9 | 111.8 | R96 R97 L103 L104 | R96-R100 WeakPolarHBondContact O-CB 3.44Å; R96-R100 PolarHBondContact O-N 3.06Å; R96-R100 VanDerWaalsContact O-N 3.13Å; R97-R100 PolarHBondContact O-N 3.32Å; R100-L103 PolarHBondContact O-N 2.88Å; R100-L104 HydrophobicContact CG-CD1 4.18Å; R100-L104 WeakPolarHBondContact O-CB 3.35Å; R100-L104 VanDerWaalsContact O-CG 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.31Å; R100-L104 PolarHBondContact O-N 3.36Å |
| 101 | E | 77.4 | Confident | 71.4 | Confident | 113 Ų | 113 | 123.9 Ų | 123.9 | 53% | 0.528 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.3 | -40 | 176 | -75.1 | 176.9 | -178.7 | 0 | 0 | 112 | R97 R98 D99 L104 A105 | R97-E101 PolarHBondContact O-N 3.11Å; R98-E101 PolarHBondContact O-N 2.96Å; D99-E101 PolarHBondContact O-N 2.93Å; E101-L104 PolarHBondContact O-N 3.07Å; E101-A105 WeakPolarHBondContact O-CB 3.5Å; E101-A105 PolarHBondContact O-N 3.43Å |
| 102 | R | 74.6 | Confident | 69.5 | Low | 162 Ų | 162 | 128.4 Ų | 128.4 | 61% | 0.611 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.7 | -39.8 | 176.8 | -130.4 | 179.5 | -176.6 | -167.7 | -2.3 | 112.1 | R98 D99 A105 T106 | R98-R102 WeakPolarHBondContact O-CB 3.44Å; R98-R102 PolarHBondContact O-N 3.02Å; D99-R102 PolarHBondContact O-N 3.13Å; R102-A105 PolarHBondContact O-N 3.02Å; R102-T106 WeakPolarHBondContact O-CB 3.44Å; R102-T106 WeakPolarHBondContact O-CG2 3.4Å; R102-T106 PolarHBondContact O-N 2.74Å; R102-T106 VanDerWaalsContact O-N 3.08Å; R102-T106 PolarHBondContact O-OG1 2.85Å |
| 103 | L | 68.9 | Low | 67.6 | Low | 105 Ų | 105 | 128 Ų | 128 | 55% | 0.55 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.9 | -40 | 176.2 | -76 | 165.5 | 0 | 0 | 0 | 112 | D99 R100 | D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 VanDerWaalsContact O-CG 3.3Å; D99-L103 WeakPolarHBondContact O-CG 3.5Å; D99-L103 PolarHBondContact O-N 3.1Å; R100-L103 PolarHBondContact O-N 2.88Å |
| 104 | L | 72.3 | Confident | 65.7 | Low | 139 Ų | 139 | 126.4 Ų | 126.4 | 73% | 0.728 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.1 | -38 | 174.3 | -74 | 165.1 | 0 | 0 | 0 | 112.2 | R100 E101 | R100-L104 HydrophobicContact CG-CD1 4.18Å; R100-L104 WeakPolarHBondContact O-CB 3.35Å; R100-L104 VanDerWaalsContact O-CG 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.31Å; R100-L104 PolarHBondContact O-N 3.36Å; E101-L104 PolarHBondContact O-N 3.07Å |
| 105 | A | 72.1 | Confident | 63.9 | Low | 87 Ų | 87 | 124.6 Ų | 124.6 | 72% | 0.719 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.5 | -28.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | E101 R102 | E101-A105 WeakPolarHBondContact O-CB 3.5Å; E101-A105 PolarHBondContact O-N 3.43Å; R102-A105 PolarHBondContact O-N 3.02Å |
| 106 | T | 71 | Confident | 62.1 | Low | 105 Ų | 105 | 125 Ų | 125 | 64% | 0.644 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -0.7 | -175.3 | 47.5 | 0 | 0 | 0 | 0 | 114.4 | R102 G108 | R102-T106 WeakPolarHBondContact O-CB 3.44Å; R102-T106 WeakPolarHBondContact O-CG2 3.4Å; R102-T106 PolarHBondContact O-N 2.74Å; R102-T106 VanDerWaalsContact O-N 3.08Å; R102-T106 PolarHBondContact O-OG1 2.85Å; T106-G108 PolarHBondContact O-N 3.43Å |
| 107 | G | 54.7 | Low | 60.4 | Low | 63 Ų | 63 | 124.8 Ų | 124.8 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | trans | 63.8 | 5.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L109 | G107-L109 PolarHBondContact O-N 3.28Å; G107-L109 VanDerWaalsContact O-N 3.07Å | ||
| 108 | G | 52.4 | Low | 58.8 | Low | 52 Ų | 52 | 127.5 Ų | 127.5 | 54% | 0.536 | 64% | 0.64 | S | S | . | * | trans | -85.2 | 66 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T106 R110 | T106-G108 PolarHBondContact O-N 3.43Å; G108-R110 PolarHBondContact O-N 2.59Å | ||
| 109 | L | 45.2 | Very low | 56.8 | Low | 144 Ų | 144 | 121.7 Ų | 121.7 | 75% | 0.754 | 63% | 0.629 | S | S | * | * | trans | -77.1 | 72.2 | 171.7 | -79.5 | 154.9 | 0 | 0 | 0 | 110.4 | G107 L113 | G107-L109 PolarHBondContact O-N 3.28Å; G107-L109 VanDerWaalsContact O-N 3.07Å; L109-L113 HydrophobicContact CD2-CD1 4.4Å | ||
| 110 | R | 46.1 | Very low | 55 | Low | 224 Ų | 224 | 125.5 Ų | 125.5 | 85% | 0.845 | 64% | 0.644 | S | S | * | * | trans | -93.3 | 106 | 167.5 | -80.5 | -168.9 | 178.2 | -145.8 | 1.9 | 110.2 | G108 D112 | G108-R110 PolarHBondContact O-N 2.59Å; R110-D112 PolarHBondContact O-N 3.35Å | ||
| 111 | R | 44.4 | Very low | 53.2 | Low | 226 Ų | 226 | 123.8 Ų | 123.8 | 85% | 0.853 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 52.1 | -25.7 | 143.2 | -147.8 | 163.4 | 165 | 160.1 | -6.4 | 121.6 | ||
| 112 | D | 43.7 | Very low | 51.4 | Low | 141 Ų | 141 | 124.7 Ų | 124.7 | 75% | 0.754 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -10.8 | -179.8 | -67.8 | -17.7 | 0 | 0 | 0 | 113 | R110 I114 A115 | R110-D112 PolarHBondContact O-N 3.35Å; D112-I114 VanDerWaalsContact C-N 3.32Å; D112-I114 PolarHBondContact O-N 3.41Å; D112-A115 PolarHBondContact O-N 3.5Å |
| 113 | L | 45.6 | Very low | 49.7 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 36% | 0.361 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -80.5 | -0 | -179.4 | -113.9 | 121.6 | 0 | 0 | 0 | 115.5 | L109 A115 L117 | L109-L113 HydrophobicContact CD2-CD1 4.4Å; L113-A115 VanDerWaalsContact C-N 3.3Å; L113-L117 HydrophobicContact CD2-CG 4.43Å; L113-L117 WeakPolarHBondContact O-CB 3.28Å; L113-L117 VanDerWaalsContact O-CD1 3.28Å; L113-L117 WeakPolarHBondContact O-CD1 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 3.16Å; L113-L117 VanDerWaalsContact O-N 3.16Å |
| 114 | I | 44 | Very low | 48.1 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 61% | 0.605 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -75.9 | -24.9 | 172 | -63.1 | 175.9 | 0 | 0 | 0 | 110.4 | D112 Y118 | D112-I114 VanDerWaalsContact C-N 3.32Å; D112-I114 PolarHBondContact O-N 3.41Å; I114-Y118 WeakPolarHBondContact O-CD2 3.17Å |
| 115 | A | 47.2 | Very low | 46.3 | Very low | 55 Ų | 55 | 131.6 Ų | 131.6 | 46% | 0.455 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -74.3 | -41.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D112 L113 L117 Y118 | D112-A115 PolarHBondContact O-N 3.5Å; L113-A115 VanDerWaalsContact C-N 3.3Å; A115-L117 PolarHBondContact O-N 3.33Å; A115-Y118 CarbonylContact O-C 3.32Å; A115-Y118 PolarHBondContact O-N 3Å; A115-Y118 VanDerWaalsContact O-N 3.15Å |
| 116 | D | 45.7 | Very low | 44.7 | Very low | 122 Ų | 122 | 132 Ų | 132 | 65% | 0.652 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79.5 | -11.7 | -179.7 | -84.3 | -11 | 0 | 0 | 0 | 115.3 | ||
| 117 | L | 48 | Very low | 43.3 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -10.1 | 168.2 | -74.9 | 165.6 | 0 | 0 | 0 | 112.4 | L113 A115 | L113-L117 HydrophobicContact CD2-CG 4.43Å; L113-L117 WeakPolarHBondContact O-CB 3.28Å; L113-L117 VanDerWaalsContact O-CD1 3.28Å; L113-L117 WeakPolarHBondContact O-CD1 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 3.16Å; L113-L117 VanDerWaalsContact O-N 3.16Å; A115-L117 PolarHBondContact O-N 3.33Å |
| 118 | Y | 46 | Very low | 42.9 | Very low | 190 Ų | 190 | 133 Ų | 133 | 75% | 0.745 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -117.6 | 79.4 | 166.5 | -67 | -77.9 | 0 | 0 | 0 | 108 | I114 A115 E120 | I114-Y118 WeakPolarHBondContact O-CD2 3.17Å; A115-Y118 CarbonylContact O-C 3.32Å; A115-Y118 PolarHBondContact O-N 3Å; A115-Y118 VanDerWaalsContact O-N 3.15Å; Y118-E120 PolarHBondContact O-N 3.29Å |
| 119 | G | 38.8 | Very low | 42.8 | Very low | 35 Ų | 35 | 133.3 Ų | 133.3 | 36% | 0.361 | 66% | 0.655 | S | S | . | * | trans | -43.1 | 107.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E121 E122 | G119-E121 PolarHBondContact O-N 3.04Å; G119-E122 PolarHBondContact O-N 2.84Å | ||
| 120 | E | 40.8 | Very low | 43.1 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 3.3 | 163.1 | -69.7 | -172.6 | 162.7 | 0 | 0 | 112.3 | Y118 | Y118-E120 PolarHBondContact O-N 3.29Š|
| 121 | E | 39.1 | Very low | 43.5 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 71% | 0.71 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 6.2 | 167.5 | -69.2 | -171.4 | 164.9 | 0 | 0 | 113.2 | R96 G119 | R96-E121 IonicContact NH2-OE1 3.01Å; R96-E121 PolarHBondContact NH2-OE1 3.15Å; R96-E121 VanDerWaalsContact NH2-OE1 3.1Å; R96-E121 IonicContact NH2-OE2 3.48Å; G119-E121 PolarHBondContact O-N 3.04Å |
| 122 | E | 39.5 | Very low | 44.2 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 62% | 0.617 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -113.6 | -1.5 | -177.4 | -75.8 | -146.5 | 158.7 | 0 | 0 | 115.3 | G119 I126 | G119-E122 PolarHBondContact O-N 2.84Å; E122-I126 HydrophobicContact CB-CD1 3.39Å; E122-I126 HydrophobicContact CB-CG1 4.35Å; E122-I126 VanDerWaalsContact CD-CD1 3.41Å; E122-I126 HydrophobicContact CG-CD1 3.43Å; E122-I126 VanDerWaalsContact CG-CD1 3.43Å; E122-I126 VanDerWaalsContact O-CB 3.24Å; E122-I126 WeakPolarHBondContact O-CB 3.37Å; E122-I126 VanDerWaalsContact O-CD1 3.25Å; E122-I126 WeakPolarHBondContact O-CD1 3.3Å; E122-I126 WeakPolarHBondContact O-CG1 3.26Å |
| 123 | E | 38 | Very low | 45 | Very low | 180 Ų | 180 | 129 Ų | 129 | 84% | 0.841 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -106.3 | -4.2 | -176.9 | -70.6 | -167.7 | 161.6 | 0 | 0 | 116.3 | ||
| 124 | E | 35.2 | Very low | 45.7 | Very low | 197 Ų | 197 | 129 Ų | 129 | 92% | 0.921 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -109.3 | -7.4 | 173.8 | -70.9 | -165.8 | 159.8 | 0 | 0 | 116 | ||
| 125 | E | 34.3 | Very low | 46.6 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -130.8 | 5.2 | 175.8 | -77.2 | -162.2 | 150.5 | 0 | 0 | 115.7 | I127 | E125-I127 VanDerWaalsContact C-N 3.33Å; E125-I127 PolarHBondContact O-N 3.39Å |
| 126 | I | 38.2 | Very low | 47.4 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 48% | 0.482 | 62% | 0.615 | S | S | . | * | trans | -93.5 | 10.7 | -179 | -55.5 | -167.9 | 0 | 0 | 0 | 113.1 | E122 P128 | E122-I126 HydrophobicContact CB-CD1 3.39Å; E122-I126 HydrophobicContact CB-CG1 4.35Å; E122-I126 VanDerWaalsContact CD-CD1 3.41Å; E122-I126 HydrophobicContact CG-CD1 3.43Å; E122-I126 VanDerWaalsContact CG-CD1 3.43Å; E122-I126 VanDerWaalsContact O-CB 3.24Å; E122-I126 WeakPolarHBondContact O-CB 3.37Å; E122-I126 VanDerWaalsContact O-CD1 3.25Å; E122-I126 WeakPolarHBondContact O-CD1 3.3Å; E122-I126 WeakPolarHBondContact O-CG1 3.26Å; I126-P128 WeakPolarHBondContact O-CA 3.4Å; I126-P128 WeakPolarHBondContact O-CB 3.2Å | ||
| 127 | I | 41.9 | Very low | 48.2 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 77% | 0.774 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -80.7 | 110.1 | 153.7 | -54.1 | 176.3 | 0 | 0 | 0 | 107 | E125 | E125-I127 VanDerWaalsContact C-N 3.33Å; E125-I127 PolarHBondContact O-N 3.39Å |
| 128 | P | 47.7 | Very low | 48.9 | Very low | 38 Ų | 38 | 130.2 Ų | 130.2 | 25% | 0.247 | 62% | 0.615 | C | S | . | * | -98.5 | 136 | -104 | 27.9 | -26.2 | 0 | 0 | 0 | 112.2 | I126 R130 R131 R132 | I126-P128 WeakPolarHBondContact O-CA 3.4Å; I126-P128 WeakPolarHBondContact O-CB 3.2Å; P128-R130 HydrophobicContact CB-CB 4.41Å; P128-R130 CarbonylContact O-C 3.55Å; P128-R130 PolarHBondContact O-N 3.24Å; P128-R131 HydrophobicContact CG-CB 3.51Å; P128-R131 HydrophobicContact CG-CG 3.43Å; P128-R131 VanDerWaalsContact CG-CG 3.43Å; P128-R131 WeakPolarHBondContact O-CA 3.33Å; P128-R131 PolarHBondContact O-N 3.45Å; P128-R132 PolarHBondContact O-N 2.97Å | |||
| 129 | A | 49.8 | Very low | 50 | Low | 60 Ų | 60 | 125.4 Ų | 125.4 | 50% | 0.496 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -49.7 | -23.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R133 | A129-R133 WeakPolarHBondContact O-CB 3.24Å; A129-R133 VanDerWaalsContact O-CG 3.24Å; A129-R133 WeakPolarHBondContact O-CG 3.48Å; A129-R133 PolarHBondContact O-N 3.15Å |
| 130 | R | 51.2 | Low | 51.4 | Low | 192 Ų | 192 | 127.7 Ų | 127.7 | 73% | 0.725 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.1 | -41.5 | 170.6 | -158.6 | 176.3 | -175.5 | -131.1 | 0.7 | 113.7 | P128 I134 | P128-R130 HydrophobicContact CB-CB 4.41Å; P128-R130 CarbonylContact O-C 3.55Å; P128-R130 PolarHBondContact O-N 3.24Å; R130-I134 HydrophobicContact CG-CD1 4.14Å; R130-I134 WeakPolarHBondContact O-CB 3.38Å; R130-I134 WeakPolarHBondContact O-CD1 3.3Å; R130-I134 WeakPolarHBondContact O-CG1 3.45Å; R130-I134 PolarHBondContact O-N 2.93Å |
| 131 | R | 54.8 | Low | 52.1 | Low | 93 Ų | 93 | 122.5 Ų | 122.5 | 35% | 0.351 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.2 | -39.3 | 172.2 | -84.6 | 177.1 | 170.8 | 169 | -2.1 | 110.7 | P128 I134 A135 V151 L152 | P128-R131 HydrophobicContact CG-CB 3.51Å; P128-R131 HydrophobicContact CG-CG 3.43Å; P128-R131 VanDerWaalsContact CG-CG 3.43Å; P128-R131 WeakPolarHBondContact O-CA 3.33Å; P128-R131 PolarHBondContact O-N 3.45Å; R131-I134 PolarHBondContact O-N 3.46Å; R131-A135 VanDerWaalsContact O-CB 3.3Å; R131-A135 WeakPolarHBondContact O-CB 3.17Å; R131-A135 PolarHBondContact O-N 3.28Å; R131-V151 HydrophobicContact CG-CG1 3.83Å; R131-V151 VanDerWaalsContact NE-CG1 3.31Å; R131-L152 PolarHBondContact NH2-O 3.49Å |
| 132 | R | 58.4 | Low | 53.1 | Low | 185 Ų | 185 | 120.6 Ų | 120.6 | 70% | 0.698 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63 | -45 | 176.3 | -160.5 | 176 | -179.7 | 170.2 | 4.8 | 111.4 | P128 I134 A135 E136 | P128-R132 PolarHBondContact O-N 2.97Å; R132-I134 PolarHBondContact O-N 3.43Å; R132-A135 PolarHBondContact O-N 3.16Å; R132-E136 IonicContact NE-OE1 3.65Å; R132-E136 VanDerWaalsContact O-CB 3.3Å; R132-E136 WeakPolarHBondContact O-CB 3.25Å; R132-E136 VanDerWaalsContact O-CG 3.26Å; R132-E136 WeakPolarHBondContact O-CG 3.11Å; R132-E136 PolarHBondContact O-N 2.68Å |
| 133 | R | 60.1 | Low | 53.4 | Low | 175 Ų | 175 | 123.8 Ų | 123.8 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.6 | -35.2 | 173.9 | -76.4 | -177.9 | -141.7 | -171 | 4.8 | 113.9 | A129 R137 | A129-R133 WeakPolarHBondContact O-CB 3.24Å; A129-R133 VanDerWaalsContact O-CG 3.24Å; A129-R133 WeakPolarHBondContact O-CG 3.48Å; A129-R133 PolarHBondContact O-N 3.15Å; R133-R137 WeakPolarHBondContact O-CB 3.3Å; R133-R137 PolarHBondContact O-N 2.98Å |
| 134 | I | 60.1 | Low | 53.7 | Low | 68 Ų | 68 | 117.3 Ų | 117.3 | 35% | 0.349 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.6 | -44.2 | 176.7 | -70.1 | 164.4 | 0 | 0 | 0 | 110.2 | R130 R131 R132 E136 R137 V138 V151 | R130-I134 HydrophobicContact CG-CD1 4.14Å; R130-I134 WeakPolarHBondContact O-CB 3.38Å; R130-I134 WeakPolarHBondContact O-CD1 3.3Å; R130-I134 WeakPolarHBondContact O-CG1 3.45Å; R130-I134 PolarHBondContact O-N 2.93Å; R131-I134 PolarHBondContact O-N 3.46Å; R132-I134 PolarHBondContact O-N 3.43Å; I134-E136 PolarHBondContact O-N 3.5Å; I134-R137 PolarHBondContact O-N 2.77Å; I134-V138 VanDerWaalsContact O-CG2 3.3Å; I134-V138 WeakPolarHBondContact O-CG2 3.4Å; I134-V138 PolarHBondContact O-N 2.9Å; I134-V151 HydrophobicContact CD1-CG2 4.09Å |
| 135 | A | 62.9 | Low | 54.3 | Low | 61 Ų | 61 | 116.6 Ų | 116.6 | 50% | 0.504 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.1 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R131 R132 V138 A139 | R131-A135 VanDerWaalsContact O-CB 3.3Å; R131-A135 WeakPolarHBondContact O-CB 3.17Å; R131-A135 PolarHBondContact O-N 3.28Å; R132-A135 PolarHBondContact O-N 3.16Å; A135-V138 PolarHBondContact O-N 2.83Å; A135-A139 VanDerWaalsContact O-CB 3.24Å; A135-A139 WeakPolarHBondContact O-CB 3.43Å; A135-A139 PolarHBondContact O-N 3.07Å |
| 136 | E | 64.5 | Low | 54.7 | Low | 109 Ų | 109 | 115.5 Ų | 115.5 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.4 | -37.5 | 173.2 | -76.5 | 170.5 | -179.9 | 0 | 0 | 112 | R132 I134 A139 A140 | R132-E136 IonicContact NE-OE1 3.65Å; R132-E136 VanDerWaalsContact O-CB 3.3Å; R132-E136 WeakPolarHBondContact O-CB 3.25Å; R132-E136 VanDerWaalsContact O-CG 3.26Å; R132-E136 WeakPolarHBondContact O-CG 3.11Å; R132-E136 PolarHBondContact O-N 2.68Å; I134-E136 PolarHBondContact O-N 3.5Å; E136-A139 PolarHBondContact O-N 2.9Å; E136-A140 WeakPolarHBondContact O-CB 3.24Å; E136-A140 PolarHBondContact O-N 3.3Å |
| 137 | R | 62.7 | Low | 55.1 | Low | 165 Ų | 165 | 118.6 Ų | 118.6 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.6 | -42.2 | 173.2 | -94 | -176.4 | 173.3 | 175.3 | -3.5 | 113 | R133 I134 A140 | R133-R137 WeakPolarHBondContact O-CB 3.3Å; R133-R137 PolarHBondContact O-N 2.98Å; I134-R137 PolarHBondContact O-N 2.77Å; R137-A140 PolarHBondContact O-N 2.98Å |
| 138 | V | 63.8 | Low | 55.3 | Low | 114 Ų | 114 | 117.5 Ų | 117.5 | 69% | 0.691 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.1 | -39.9 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | I134 A135 A140 G141 | I134-V138 VanDerWaalsContact O-CG2 3.3Å; I134-V138 WeakPolarHBondContact O-CG2 3.4Å; I134-V138 PolarHBondContact O-N 2.9Å; A135-V138 PolarHBondContact O-N 2.83Å; V138-A140 VanDerWaalsContact C-N 3.31Å; V138-A140 PolarHBondContact O-N 3.5Å; V138-G141 PolarHBondContact O-N 2.91Å |
| 139 | A | 67.8 | Low | 55.2 | Low | 89 Ų | 89 | 123.6 Ų | 123.6 | 74% | 0.736 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.2 | -24.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A135 E136 G141 | A135-A139 VanDerWaalsContact O-CB 3.24Å; A135-A139 WeakPolarHBondContact O-CB 3.43Å; A135-A139 PolarHBondContact O-N 3.07Å; E136-A139 PolarHBondContact O-N 2.9Å; A139-G141 VanDerWaalsContact C-N 3.31Å |
| 140 | A | 69.6 | Low | 55.1 | Low | 82 Ų | 82 | 123.8 Ų | 123.8 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 1.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E136 R137 V138 | E136-A140 WeakPolarHBondContact O-CB 3.24Å; E136-A140 PolarHBondContact O-N 3.3Å; R137-A140 PolarHBondContact O-N 2.98Å; V138-A140 VanDerWaalsContact C-N 3.31Å; V138-A140 PolarHBondContact O-N 3.5Å |
| 141 | G | 53.7 | Low | 55 | Low | 60 Ų | 60 | 117.6 Ų | 117.6 | 62% | 0.619 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.4 | 24 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | V138 A139 E143 | V138-G141 PolarHBondContact O-N 2.91Å; A139-G141 VanDerWaalsContact C-N 3.31Å; G141-E143 VanDerWaalsContact C-N 3.35Å; G141-E143 PolarHBondContact O-N 3.46Å |
| 142 | D | 60.8 | Low | 55 | Low | 112 Ų | 112 | 115.9 Ų | 115.9 | 60% | 0.599 | 64% | 0.643 | S | S | * | * | trans | -79.7 | 82.5 | 175.3 | -164 | 32.2 | 0 | 0 | 0 | 109.6 | G144 | D142-G144 PolarHBondContact O-N 2.87Š| ||
| 143 | E | 45.2 | Very low | 54.9 | Low | 199 Ų | 199 | 114.7 Ų | 114.7 | 93% | 0.93 | 65% | 0.645 | S | S | * | * | trans | -71.5 | 68.7 | 171.4 | -70.3 | -174.9 | 160.7 | 0 | 0 | 110.3 | G141 | G141-E143 VanDerWaalsContact C-N 3.35Å; G141-E143 PolarHBondContact O-N 3.46Å | ||
| 144 | G | 45.8 | Very low | 55 | Low | 45 Ų | 45 | 109.5 Ų | 109.5 | 46% | 0.464 | 64% | 0.636 | S | S | . | * | trans | -98.4 | 125.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | D142 L146 | D142-G144 PolarHBondContact O-N 2.87Å; G144-L146 PolarHBondContact O-N 3.28Å | ||
| 145 | D | 46.3 | Very low | 55.4 | Low | 182 Ų | 182 | 107.8 Ų | 107.8 | 97% | 0.973 | 63% | 0.627 | S | S | * | * | trans | -51.8 | 70.3 | 178.8 | -73.4 | -44.5 | 0 | 0 | 0 | 114.6 | ||||
| 146 | L | 44 | Very low | 55.5 | Low | 151 Ų | 151 | 112.3 Ų | 112.3 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | trans | -111.7 | 98.8 | 166.2 | -84.3 | 156.2 | 0 | 0 | 0 | 106.6 | G144 | G144-L146 PolarHBondContact O-N 3.28Š| ||
| 147 | E | 46.7 | Very low | 56 | Low | 160 Ų | 160 | 112.5 Ų | 112.5 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | -47.5 | 131.5 | 167.4 | -70.1 | -175.7 | 152.1 | 0 | 0 | 109.2 | E149 | E147-E149 PolarHBondContact O-N 3.26Š| ||
| 148 | P | 45 | Very low | 56.7 | Low | 127 Ų | 127 | 104.7 Ų | 104.7 | 83% | 0.825 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -77 | 57.2 | -176 | 33.2 | -35.2 | 0 | 0 | 0 | 110.7 | G150 | P148-G150 PolarHBondContact O-N 3.03Š|
| 149 | E | 45.3 | Very low | 57.3 | Low | 167 Ų | 167 | 106.1 Ų | 106.1 | 78% | 0.78 | 61% | 0.612 | S | S | * | * | trans | -82.3 | 2.2 | 174.1 | -80.5 | -158.6 | 145.7 | 0 | 0 | 113.2 | E147 | E147-E149 PolarHBondContact O-N 3.26Š| ||
| 150 | G | 48.6 | Very low | 58.1 | Low | 63 Ų | 63 | 106.6 Ų | 106.6 | 65% | 0.649 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -111 | -7.6 | -165.3 | 0 | 0 | 0 | 0 | 0 | 118 | P148 | P148-G150 PolarHBondContact O-N 3.03Š|
| 151 | V | 49.1 | Very low | 58.4 | Low | 63 Ų | 63 | 105.3 Ų | 105.3 | 38% | 0.382 | 58% | 0.583 | S | S | . | * | trans | -132.5 | 75.8 | -177.8 | -167.7 | 0 | 0 | 0 | 0 | 109.3 | R131 I134 E153 | R131-V151 HydrophobicContact CG-CG1 3.83Å; R131-V151 VanDerWaalsContact NE-CG1 3.31Å; I134-V151 HydrophobicContact CD1-CG2 4.09Å; V151-E153 PolarHBondContact O-N 3.05Å | ||
| 152 | L | 55.6 | Low | 59.8 | Low | 57 Ų | 57 | 109.2 Ų | 109.2 | 30% | 0.298 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -68 | 125.1 | 168.9 | -68.3 | 155.3 | 0 | 0 | 0 | 107.6 | R131 S154 V174 Q177 | R131-L152 PolarHBondContact NH2-O 3.49Å; L152-S154 PolarHBondContact O-N 3.45Å; L152-V174 HydrophobicContact CB-CG1 4.45Å; L152-V174 HydrophobicContact CD2-CB 4.17Å; L152-V174 HydrophobicContact CD2-CG1 4.47Å; L152-V174 HydrophobicContact CD2-CG2 3.51Å; L152-Q177 HydrophobicContact CD1-CG 4.29Å |
| 153 | E | 55.6 | Low | 60.8 | Low | 159 Ų | 159 | 108 Ų | 108 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 126.4 | 171 | -67.1 | 178.4 | 168.7 | 0 | 0 | 107.9 | V151 I155 V174 | V151-E153 PolarHBondContact O-N 3.05Å; E153-I155 PolarHBondContact O-N 2.83Å; E153-V174 WeakPolarHBondContact O-CG1 3.37Å |
| 154 | S | 62.9 | Low | 62.8 | Low | 66 Ų | 66 | 101.2 Ų | 101.2 | 46% | 0.462 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 122.9 | 174.9 | 42.5 | 0 | 0 | 0 | 0 | 108.3 | L152 E156 | L152-S154 PolarHBondContact O-N 3.45Å; S154-E156 PolarHBondContact O-N 3.46Å |
| 155 | I | 67.6 | Low | 64.9 | Low | 32 Ų | 32 | 101.6 Ų | 101.6 | 16% | 0.164 | 56% | 0.561 | C | S | . | * | trans | -81.3 | 103 | 175.4 | -61.6 | 171.5 | 0 | 0 | 0 | 107 | E153 N157 W169 V174 R182 | E153-I155 PolarHBondContact O-N 2.83Å; I155-N157 VanDerWaalsContact C-N 3.26Å; I155-N157 WeakPolarHBondContact CG2-O 3.42Å; I155-N157 PolarHBondContact O-N 3.25Å; I155-W169 HydrophobicContact CD1-CH2 4.09Å; I155-W169 HydrophobicContact CD1-CZ2 4.21Å; I155-V174 HydrophobicContact CD1-CB 3.98Å; I155-V174 HydrophobicContact CD1-CG1 3.57Å; I155-V174 HydrophobicContact CG1-CG1 3.7Å; I155-R182 PolarHBondContact O-NH2 3.32Å | ||
| 156 | E | 65.8 | Low | 67 | Low | 157 Ų | 157 | 93.5 Ų | 93.5 | 73% | 0.734 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -62.1 | -38.1 | 175.9 | -65.6 | 178 | 179.1 | 0 | 0 | 111.1 | S154 R182 | S154-E156 PolarHBondContact O-N 3.46Å; E156-R182 PolarHBondContact O-NH2 3.35Å |
| 157 | N | 73.4 | Confident | 69.2 | Low | 113 Ų | 113 | 89 Ų | 89 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | trans | -109.8 | 81.4 | -177.7 | -65.8 | -23.2 | 0 | 0 | 0 | 111.8 | I155 E159 D160 | I155-N157 VanDerWaalsContact C-N 3.26Å; I155-N157 WeakPolarHBondContact CG2-O 3.42Å; I155-N157 PolarHBondContact O-N 3.25Å; N157-E159 PolarHBondContact O-N 2.98Å; N157-E159 VanDerWaalsContact O-N 3.16Å; N157-D160 PolarHBondContact O-N 2.73Å | ||
| 158 | L | 79 | Confident | 71.4 | Confident | 1 Ų | 1 | 86.3 Ų | 86.3 | 1% | 0.005 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.9 | 172.1 | -100.8 | 137 | 0 | 0 | 0 | 113.7 | D160 W169 T175 E178 I179 V227 F231 | L158-D160 VanDerWaalsContact C-N 3.31Å; L158-W169 PolarHBondContact O-NE1 3.32Å; L158-W169 VanDerWaalsContact O-NE1 3.15Å; L158-T175 HydrophobicContact CD2-CG2 3.57Å; L158-E178 HydrophobicContact CD1-CB 4.15Å; L158-E178 HydrophobicContact CD1-CG 3.3Å; L158-E178 HydrophobicContact CG-CG 4.1Å; L158-I179 HydrophobicContact CD2-CD1 4.27Å; L158-I179 HydrophobicContact CD2-CG1 3.73Å; L158-V227 HydrophobicContact CB-CG1 3.84Å; L158-F231 HydrophobicContact CB-CE2 4.48Å; L158-F231 HydrophobicContact CD2-CE2 3.82Å |
| 159 | E | 76.5 | Confident | 73.6 | Confident | 143 Ų | 143 | 80.6 Ų | 80.6 | 67% | 0.668 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -27.3 | 179.6 | -61.3 | -179.4 | 178.2 | 0 | 0 | 112.9 | N157 M161 V227 | N157-E159 PolarHBondContact O-N 2.98Å; N157-E159 VanDerWaalsContact O-N 3.16Å; E159-M161 PolarHBondContact O-N 3.46Å; E159-V227 HydrophobicContact CG-CG1 4.46Å; E159-V227 HydrophobicContact CG-CG2 3.65Å |
| 160 | D | 82.8 | Confident | 75.8 | Confident | 100 Ų | 100 | 72.7 Ų | 72.7 | 54% | 0.535 | 41% | 0.409 | S | S | . | . | trans | -81.4 | 86.5 | 177 | -173.9 | 8.1 | 0 | 0 | 0 | 110.2 | N157 L158 K162 W169 | N157-D160 PolarHBondContact O-N 2.73Å; L158-D160 VanDerWaalsContact C-N 3.31Å; D160-K162 PolarHBondContact O-N 2.79Å; D160-K162 PolarHBondContact OD1-N 3.45Å; D160-W169 WeakPolarHBondContact O-CH2 3.49Å; D160-W169 VanDerWaalsContact O-CZ2 3.26Å; D160-W169 WeakPolarHBondContact O-CZ2 3.5Å | ||
| 161 | M | 76.8 | Confident | 77.8 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 27% | 0.271 | 40% | 0.402 | S | S | . | . | trans | -68.1 | 1.5 | -179.8 | -58.8 | -174.8 | -65.6 | 0 | 0 | 113.7 | E159 G163 M164 V166 W169 F231 | E159-M161 PolarHBondContact O-N 3.46Å; M161-G163 PolarHBondContact O-N 3.27Å; M161-M164 PolarHBondContact O-N 2.78Å; M161-V166 HydrophobicContact SD-CG2 3.68Å; M161-W169 HydrophobicContact CB-CG 4.5Å; M161-W169 HydrophobicContact CG-CG 4.49Å; M161-F231 HydrophobicContact SD-CE1 4.2Å | ||
| 162 | K | 82.8 | Confident | 79.8 | Confident | 142 Ų | 142 | 75.7 Ų | 75.7 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 30.3 | 179.6 | -61.1 | -179.6 | -178.5 | 177.1 | 0 | 113.6 | D160 M164 W169 | D160-K162 PolarHBondContact O-N 2.79Å; D160-K162 PolarHBondContact OD1-N 3.45Å; K162-M164 VanDerWaalsContact C-N 3.31Å; K162-M164 HydrophobicContact CB-CE 3.99Å; K162-M164 PolarHBondContact O-N 3.42Å; K162-W169 HydrophobicContact CB-CZ3 4.49Å; K162-W169 HydrophobicContact CD-CH2 4.08Å; K162-W169 HydrophobicContact CD-CZ3 4.14Å; K162-W169 HydrophobicContact CG-CH2 4.26Å; K162-W169 HydrophobicContact CG-CZ3 4.37Å |
| 163 | G | 81.6 | Confident | 81.5 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 88% | 0.876 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 5.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | M161 | M161-G163 PolarHBondContact O-N 3.27Š|
| 164 | M | 87.6 | Confident | 83.1 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 28% | 0.281 | 39% | 0.388 | S | S | . | . | trans | -79.4 | 159.1 | 173.5 | -73.3 | 175.4 | -86.1 | 0 | 0 | 111.7 | M161 K162 E168 W169 Q172 | M161-M164 PolarHBondContact O-N 2.78Å; K162-M164 VanDerWaalsContact C-N 3.31Å; K162-M164 HydrophobicContact CB-CE 3.99Å; K162-M164 PolarHBondContact O-N 3.42Å; M164-E168 HydrophobicContact CB-CB 4.41Å; M164-W169 HydrophobicContact CE-CE3 3.29Å; M164-W169 HydrophobicContact CE-CZ3 3.35Å; M164-W169 HydrophobicContact SD-CE3 4.28Å; M164-Q172 HydrophobicContact SD-CG 4.47Å | ||
| 165 | S | 90.2 | Very high | 84.4 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | trans | -66.6 | 152.9 | 167.8 | 66.2 | 0 | 0 | 0 | 0 | 110.6 | V167 E168 W169 | S165-V167 PolarHBondContact O-N 3.36Å; S165-E168 PolarHBondContact N-OE2 3.47Å; S165-E168 PolarHBondContact O-N 2.96Å; S165-E168 VanDerWaalsContact O-N 3.16Å; S165-E168 WeakPolarHBondContact OG-CB 3.23Å; S165-E168 VanDerWaalsContact OG-CG 3.24Å; S165-E168 WeakPolarHBondContact OG-CG 3.44Å; S165-E168 PolarHBondContact OG-N 3.05Å; S165-E168 PolarHBondContact OG-OE2 3.21Å; S165-W169 WeakPolarHBondContact O-CB 3.33Å; S165-W169 PolarHBondContact O-N 2.91Å | ||
| 166 | V | 90.2 | Very high | 85.6 | Confident | 11 Ų | 11 | 70 Ų | 70 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.3 | -38.7 | 179.2 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | M161 W169 V170 Y230 F231 E234 A235 | M161-V166 HydrophobicContact SD-CG2 3.68Å; V166-W169 PolarHBondContact O-N 2.98Å; V166-V170 HydrophobicContact CG1-CG2 4.28Å; V166-V170 VanDerWaalsContact O-CG2 3.26Å; V166-V170 WeakPolarHBondContact O-CG2 3.43Å; V166-V170 PolarHBondContact O-N 2.84Å; V166-Y230 HydrophobicContact CG2-CE1 4.35Å; V166-F231 HydrophobicContact CG1-CB 4.42Å; V166-F231 HydrophobicContact CG1-CD1 3.6Å; V166-F231 HydrophobicContact CG1-CE1 4.25Å; V166-F231 HydrophobicContact CG1-CG 4.3Å; V166-E234 HydrophobicContact CB-CG 3.85Å; V166-E234 HydrophobicContact CG1-CB 4.24Å; V166-E234 HydrophobicContact CG1-CG 4.07Å; V166-E234 HydrophobicContact CG2-CG 3.94Å; V166-A235 HydrophobicContact CG1-CB 4.07Å |
| 167 | V | 91 | Very high | 86.9 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 35% | 0.345 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 178.5 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | S165 W169 Q171 A235 | S165-V167 PolarHBondContact O-N 3.36Å; V167-W169 VanDerWaalsContact C-N 3.33Å; V167-Q171 VanDerWaalsContact O-CG 3.31Å; V167-Q171 WeakPolarHBondContact O-CG 3.31Å; V167-Q171 PolarHBondContact O-N 3.49Å; V167-A235 HydrophobicContact CG2-CB 4.03Å |
| 168 | E | 92.2 | Very high | 87.7 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.4 | -35.8 | 178.3 | -70.3 | 164.2 | 154.7 | 0 | 0 | 111.7 | M164 S165 Q171 Q172 | M164-E168 HydrophobicContact CB-CB 4.41Å; S165-E168 PolarHBondContact N-OE2 3.47Å; S165-E168 PolarHBondContact O-N 2.96Å; S165-E168 VanDerWaalsContact O-N 3.16Å; S165-E168 WeakPolarHBondContact OG-CB 3.23Å; S165-E168 VanDerWaalsContact OG-CG 3.24Å; S165-E168 WeakPolarHBondContact OG-CG 3.44Å; S165-E168 PolarHBondContact OG-N 3.05Å; S165-E168 PolarHBondContact OG-OE2 3.21Å; E168-Q171 PolarHBondContact O-N 3.1Å; E168-Q172 PolarHBondContact O-N 2.89Å |
| 169 | W | 91.5 | Very high | 88.4 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 178.7 | -175.6 | -124 | 0 | 0 | 0 | 112.2 | I155 L158 D160 M161 K162 M164 S165 V166 V167 Q171 Q172 T175 | I155-W169 HydrophobicContact CD1-CH2 4.09Å; I155-W169 HydrophobicContact CD1-CZ2 4.21Å; L158-W169 PolarHBondContact O-NE1 3.32Å; L158-W169 VanDerWaalsContact O-NE1 3.15Å; D160-W169 WeakPolarHBondContact O-CH2 3.49Å; D160-W169 VanDerWaalsContact O-CZ2 3.26Å; D160-W169 WeakPolarHBondContact O-CZ2 3.5Å; M161-W169 HydrophobicContact CB-CG 4.5Å; M161-W169 HydrophobicContact CG-CG 4.49Å; K162-W169 HydrophobicContact CB-CZ3 4.49Å; K162-W169 HydrophobicContact CD-CH2 4.08Å; K162-W169 HydrophobicContact CD-CZ3 4.14Å; K162-W169 HydrophobicContact CG-CH2 4.26Å; K162-W169 HydrophobicContact CG-CZ3 4.37Å; M164-W169 HydrophobicContact CE-CE3 3.29Å; M164-W169 HydrophobicContact CE-CZ3 3.35Å; M164-W169 HydrophobicContact SD-CE3 4.28Å; S165-W169 WeakPolarHBondContact O-CB 3.33Å; S165-W169 PolarHBondContact O-N 2.91Å; V166-W169 PolarHBondContact O-N 2.98Å; V167-W169 VanDerWaalsContact C-N 3.33Å; W169-Q171 PolarHBondContact O-N 3.23Å; W169-Q172 HydrophobicContact CE3-CG 4.47Å; W169-Q172 WeakPolarHBondContact O-CB 3.5Å; W169-Q172 PolarHBondContact O-N 2.73Å; W169-T175 HydrophobicContact CD2-CG2 4.17Å; W169-T175 HydrophobicContact CG-CG2 4.16Å; W169-T175 HydrophobicContact CZ2-CG2 4.47Å; W169-T175 WeakPolarHBondContact O-CB 3.29Å; W169-T175 WeakPolarHBondContact O-CG2 3.31Å; W169-T175 PolarHBondContact O-OG1 3.06Å |
| 170 | V | 90.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -27.4 | 178.4 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | V166 Q172 I179 H238 V239 I242 | V166-V170 HydrophobicContact CG1-CG2 4.28Å; V166-V170 VanDerWaalsContact O-CG2 3.26Å; V166-V170 WeakPolarHBondContact O-CG2 3.43Å; V166-V170 PolarHBondContact O-N 2.84Å; V170-Q172 VanDerWaalsContact C-N 3.35Å; V170-I179 HydrophobicContact CB-CD1 4.34Å; V170-I179 HydrophobicContact CG1-CD1 4Å; V170-I179 HydrophobicContact CG2-CD1 3.94Å; V170-H238 HydrophobicContact CG1-CB 3.85Å; V170-V239 HydrophobicContact CG1-CG2 4.08Å; V170-V239 HydrophobicContact CG2-CG2 4.29Å; V170-I242 HydrophobicContact CG1-CD1 3.64Å |
| 171 | Q | 90.6 | Very high | 89.8 | Confident | 106 Ų | 106 | 56.8 Ų | 56.8 | 50% | 0.495 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.9 | -20.5 | 176.7 | -74.6 | 178.3 | 12 | 0 | 0 | 113.8 | V167 E168 W169 H238 | V167-Q171 VanDerWaalsContact O-CG 3.31Å; V167-Q171 WeakPolarHBondContact O-CG 3.31Å; V167-Q171 PolarHBondContact O-N 3.49Å; E168-Q171 PolarHBondContact O-N 3.1Å; W169-Q171 PolarHBondContact O-N 3.23Å; Q171-H238 PolarHBondContact NE2-CE1 3.4Å; Q171-H238 PolarHBondContact NE2-NE2 3.18Å |
| 172 | Q | 91.8 | Very high | 90.5 | Very high | 84 Ų | 84 | 56.2 Ų | 56.2 | 39% | 0.393 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -60.4 | 134.7 | 176.8 | -67.8 | -61.2 | -28.7 | 0 | 0 | 110.3 | M164 E168 W169 V170 V174 T175 R176 | M164-Q172 HydrophobicContact SD-CG 4.47Å; E168-Q172 PolarHBondContact O-N 2.89Å; W169-Q172 HydrophobicContact CE3-CG 4.47Å; W169-Q172 WeakPolarHBondContact O-CB 3.5Å; W169-Q172 PolarHBondContact O-N 2.73Å; V170-Q172 VanDerWaalsContact C-N 3.35Å; Q172-V174 VanDerWaalsContact C-N 3.28Å; Q172-V174 PolarHBondContact O-N 3.32Å; Q172-T175 PolarHBondContact O-N 2.95Å; Q172-R176 WeakPolarHBondContact O-CB 3.43Å; Q172-R176 PolarHBondContact O-N 3.22Å |
| 173 | P | 90.8 | Very high | 91.1 | Very high | 75 Ų | 75 | 49.5 Ų | 49.5 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | -173.3 | 23.6 | -33.4 | 0 | 0 | 0 | 112.7 | Q177 | P173-Q177 WeakPolarHBondContact O-CG 3.45Å; P173-Q177 PolarHBondContact O-N 2.68Å; P173-Q177 VanDerWaalsContact O-N 3.1Å |
| 174 | V | 90 | Very high | 91.7 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 24% | 0.242 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -53.6 | 176.1 | -165.3 | 0 | 0 | 0 | 0 | 110.2 | L152 E153 I155 Q172 R176 Q177 E178 | L152-V174 HydrophobicContact CB-CG1 4.45Å; L152-V174 HydrophobicContact CD2-CB 4.17Å; L152-V174 HydrophobicContact CD2-CG1 4.47Å; L152-V174 HydrophobicContact CD2-CG2 3.51Å; E153-V174 WeakPolarHBondContact O-CG1 3.37Å; I155-V174 HydrophobicContact CD1-CB 3.98Å; I155-V174 HydrophobicContact CD1-CG1 3.57Å; I155-V174 HydrophobicContact CG1-CG1 3.7Å; Q172-V174 VanDerWaalsContact C-N 3.28Å; Q172-V174 PolarHBondContact O-N 3.32Å; V174-R176 PolarHBondContact O-N 3.46Å; V174-Q177 PolarHBondContact O-N 3.4Å; V174-E178 PolarHBondContact O-N 3.47Å |
| 175 | T | 90.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | -178.5 | -46.4 | 0 | 0 | 0 | 0 | 111.3 | L158 W169 Q172 Q177 E178 I179 | L158-T175 HydrophobicContact CD2-CG2 3.57Å; W169-T175 HydrophobicContact CD2-CG2 4.17Å; W169-T175 HydrophobicContact CG-CG2 4.16Å; W169-T175 HydrophobicContact CZ2-CG2 4.47Å; W169-T175 WeakPolarHBondContact O-CB 3.29Å; W169-T175 WeakPolarHBondContact O-CG2 3.31Å; W169-T175 PolarHBondContact O-OG1 3.06Å; Q172-T175 PolarHBondContact O-N 2.95Å; T175-Q177 VanDerWaalsContact C-N 3.33Å; T175-Q177 PolarHBondContact O-N 3.44Å; T175-E178 PolarHBondContact O-N 3Å; T175-I179 HydrophobicContact CG2-CD1 3.99Å; T175-I179 HydrophobicContact CG2-CG1 4.45Å; T175-I179 WeakPolarHBondContact O-CB 3.34Å; T175-I179 VanDerWaalsContact O-CG1 3.28Å; T175-I179 WeakPolarHBondContact O-CG1 3.39Å; T175-I179 PolarHBondContact O-N 3.47Å |
| 176 | R | 93 | Very high | 92.1 | Very high | 77 Ų | 77 | 44.1 Ų | 44.1 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.2 | -46.4 | 175.4 | -177.7 | 175.3 | -179.7 | 146.6 | 2.6 | 111.4 | Q172 V174 K180 E241 I242 E245 | Q172-R176 WeakPolarHBondContact O-CB 3.43Å; Q172-R176 PolarHBondContact O-N 3.22Å; V174-R176 PolarHBondContact O-N 3.46Å; R176-K180 WeakPolarHBondContact O-CB 3.46Å; R176-K180 PolarHBondContact O-N 2.91Å; R176-K180 VanDerWaalsContact O-N 3.09Å; R176-E241 IonicContact CZ-OE1 3.4Å; R176-E241 IonicContact NH1-OE1 2.7Å; R176-E241 IonicContact NH2-OE1 3.58Å; R176-E241 PolarHBondContact NH2-OE1 2.95Å; R176-I242 HydrophobicContact CB-CD1 4.31Å; R176-I242 HydrophobicContact CG-CD1 3.74Å; R176-I242 HydrophobicContact CG-CG1 3.8Å; R176-E245 IonicContact CZ-OE1 3.33Å; R176-E245 IonicContact NH2-OE1 2.72Å; R176-E245 PolarHBondContact NH2-OE1 2.77Å |
| 177 | Q | 92.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 43.6 Ų | 43.6 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.2 | -39.1 | 178.3 | -73.7 | -168 | 15.9 | 0 | 0 | 112.5 | L152 P173 V174 T175 K180 N181 | L152-Q177 HydrophobicContact CD1-CG 4.29Å; P173-Q177 WeakPolarHBondContact O-CG 3.45Å; P173-Q177 PolarHBondContact O-N 2.68Å; P173-Q177 VanDerWaalsContact O-N 3.1Å; V174-Q177 PolarHBondContact O-N 3.4Å; T175-Q177 VanDerWaalsContact C-N 3.33Å; T175-Q177 PolarHBondContact O-N 3.44Å; Q177-K180 WeakPolarHBondContact O-CB 3.32Å; Q177-K180 PolarHBondContact O-N 3.23Å; Q177-N181 VanDerWaalsContact O-CG 3.23Å; Q177-N181 PolarHBondContact O-N 2.58Å; Q177-N181 PolarHBondContact O-ND2 3.07Å |
| 178 | E | 91.2 | Very high | 92.2 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.7 | -45.4 | 177.9 | -173.8 | 62.1 | -158.1 | 0 | 0 | 111.6 | L158 V174 T175 K180 N181 R182 | L158-E178 HydrophobicContact CD1-CB 4.15Å; L158-E178 HydrophobicContact CD1-CG 3.3Å; L158-E178 HydrophobicContact CG-CG 4.1Å; V174-E178 PolarHBondContact O-N 3.47Å; T175-E178 PolarHBondContact O-N 3Å; E178-K180 VanDerWaalsContact C-N 3.26Å; E178-K180 PolarHBondContact O-N 3.39Å; E178-N181 PolarHBondContact O-N 2.88Å; E178-N181 VanDerWaalsContact O-N 3.1Å; E178-R182 WeakPolarHBondContact O-CG 3.4Å; E178-R182 PolarHBondContact O-N 3.35Å; E178-R182 IonicContact OE1-CZ 3.64Å; E178-R182 IonicContact OE1-NE 3.1Å; E178-R182 PolarHBondContact OE1-NE 3.34Å; E178-R182 VanDerWaalsContact OE1-NE 3.08Å; E178-R182 IonicContact OE1-NH2 3.95Å |
| 179 | I | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.3 | -44.9 | 173 | -70.1 | 168.4 | 0 | 0 | 0 | 110.4 | L158 V170 T175 N181 F183 L228 F231 I242 F243 | L158-I179 HydrophobicContact CD2-CD1 4.27Å; L158-I179 HydrophobicContact CD2-CG1 3.73Å; V170-I179 HydrophobicContact CB-CD1 4.34Å; V170-I179 HydrophobicContact CG1-CD1 4Å; V170-I179 HydrophobicContact CG2-CD1 3.94Å; T175-I179 HydrophobicContact CG2-CD1 3.99Å; T175-I179 HydrophobicContact CG2-CG1 4.45Å; T175-I179 WeakPolarHBondContact O-CB 3.34Å; T175-I179 VanDerWaalsContact O-CG1 3.28Å; T175-I179 WeakPolarHBondContact O-CG1 3.39Å; T175-I179 PolarHBondContact O-N 3.47Å; I179-N181 PolarHBondContact O-N 2.76Å; I179-F183 WeakPolarHBondContact O-CB 3.35Å; I179-F183 PolarHBondContact O-N 3.4Å; I179-L228 HydrophobicContact CB-CD2 4.25Å; I179-L228 HydrophobicContact CG1-CD2 4.05Å; I179-L228 HydrophobicContact CG2-CD2 3.81Å; I179-F231 HydrophobicContact CD1-CD2 4.47Å; I179-I242 HydrophobicContact CB-CG2 4.32Å; I179-I242 HydrophobicContact CD1-CD1 4.44Å; I179-I242 HydrophobicContact CG2-CB 4.39Å; I179-I242 HydrophobicContact CG2-CD1 4.26Å; I179-I242 HydrophobicContact CG2-CG2 3.77Å; I179-F243 HydrophobicContact CG2-CE1 4.09Å |
| 180 | K | 94.8 | Very high | 92 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 177.3 | -169.9 | 177.2 | -177.1 | 165.4 | 0 | 111.7 | R176 Q177 E178 K184 I242 E245 A246 E249 | R176-K180 WeakPolarHBondContact O-CB 3.46Å; R176-K180 PolarHBondContact O-N 2.91Å; R176-K180 VanDerWaalsContact O-N 3.09Å; Q177-K180 WeakPolarHBondContact O-CB 3.32Å; Q177-K180 PolarHBondContact O-N 3.23Å; E178-K180 VanDerWaalsContact C-N 3.26Å; E178-K180 PolarHBondContact O-N 3.39Å; K180-K184 VanDerWaalsContact O-CG 3.26Å; K180-K184 WeakPolarHBondContact O-CG 2.94Å; K180-K184 PolarHBondContact O-N 3.19Å; K180-I242 HydrophobicContact CB-CG2 3.76Å; K180-I242 HydrophobicContact CG-CG2 4.35Å; K180-E245 IonicContact NZ-OE2 3.06Å; K180-E245 PolarHBondContact NZ-OE2 2.99Å; K180-A246 HydrophobicContact CG-CB 3.96Å; K180-E249 VanDerWaalsContact CE-CD 3.41Å; K180-E249 WeakPolarHBondContact CE-OE1 3.15Å; K180-E249 VanDerWaalsContact CE-OE2 3.25Å; K180-E249 WeakPolarHBondContact CE-OE2 3Å; K180-E249 IonicContact NZ-OE1 3.92Å; K180-E249 PolarHBondContact NZ-OE1 3.41Å; K180-E249 IonicContact NZ-OE2 3.51Å |
| 181 | N | 93 | Very high | 91.9 | Very high | 80 Ų | 80 | 51.8 Ų | 51.8 | 43% | 0.428 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.7 | -45.2 | -178.8 | -69.9 | -20.1 | 0 | 0 | 0 | 112.1 | Q177 E178 I179 F183 K184 A185 | Q177-N181 VanDerWaalsContact O-CG 3.23Å; Q177-N181 PolarHBondContact O-N 2.58Å; Q177-N181 PolarHBondContact O-ND2 3.07Å; E178-N181 PolarHBondContact O-N 2.88Å; E178-N181 VanDerWaalsContact O-N 3.1Å; I179-N181 PolarHBondContact O-N 2.76Å; N181-F183 VanDerWaalsContact C-N 3.34Å; N181-F183 PolarHBondContact O-N 3.21Å; N181-K184 WeakPolarHBondContact O-CB 3.41Å; N181-K184 PolarHBondContact O-N 3.23Å; N181-A185 PolarHBondContact O-N 3.41Å |
| 182 | R | 92.2 | Very high | 91.5 | Very high | 43 Ų | 43 | 49.5 Ų | 49.5 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.1 | -68.7 | -166.5 | -173.1 | -164 | 2.7 | 112.3 | I155 E156 E178 K184 A185 F186 E225 L228 | I155-R182 PolarHBondContact O-NH2 3.32Å; E156-R182 PolarHBondContact O-NH2 3.35Å; E178-R182 WeakPolarHBondContact O-CG 3.4Å; E178-R182 PolarHBondContact O-N 3.35Å; E178-R182 IonicContact OE1-CZ 3.64Å; E178-R182 IonicContact OE1-NE 3.1Å; E178-R182 PolarHBondContact OE1-NE 3.34Å; E178-R182 VanDerWaalsContact OE1-NE 3.08Å; E178-R182 IonicContact OE1-NH2 3.95Å; R182-K184 PolarHBondContact O-N 2.88Å; R182-A185 WeakPolarHBondContact O-CB 3.43Å; R182-A185 PolarHBondContact O-N 3.02Å; R182-F186 WeakPolarHBondContact O-CB 3.14Å; R182-F186 PolarHBondContact O-N 3.29Å; R182-E225 IonicContact NH1-OE2 2.93Å; R182-L228 HydrophobicContact CB-CD1 4.17Å |
| 183 | F | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.8 | -36 | 177 | -174.6 | -101.2 | 0 | 0 | 0 | 112.8 | I179 N181 F186 L187 I216 L221 L228 F243 A246 V267 | I179-F183 WeakPolarHBondContact O-CB 3.35Å; I179-F183 PolarHBondContact O-N 3.4Å; N181-F183 VanDerWaalsContact C-N 3.34Å; N181-F183 PolarHBondContact O-N 3.21Å; F183-F186 HydrophobicContact CD2-CD1 4.14Å; F183-F186 HydrophobicContact CE2-CD1 4.21Å; F183-F186 HydrophobicContact CE2-CE1 4.48Å; F183-F186 WeakPolarHBondContact O-CB 3.21Å; F183-F186 PolarHBondContact O-N 3.39Å; F183-L187 HydrophobicContact CD1-CD1 4.01Å; F183-L187 HydrophobicContact CD1-CG 4.37Å; F183-L187 HydrophobicContact CE1-CD1 3.65Å; F183-L187 HydrophobicContact CE1-CG 4.14Å; F183-L187 HydrophobicContact CZ-CD1 4.3Å; F183-L187 HydrophobicContact CZ-CD2 4.46Å; F183-L187 HydrophobicContact CZ-CG 4.43Å; F183-L187 WeakPolarHBondContact O-CG 3.26Å; F183-L187 PolarHBondContact O-N 2.91Å; F183-I216 HydrophobicContact CE1-CD1 4.38Å; F183-I216 HydrophobicContact CE2-CD1 3.68Å; F183-I216 HydrophobicContact CZ-CD1 3.27Å; F183-L221 HydrophobicContact CD2-CD1 4.43Å; F183-L228 HydrophobicContact CB-CD1 4.16Å; F183-F243 HydrophobicContact CB-CD1 4.05Å; F183-F243 HydrophobicContact CB-CE1 3.93Å; F183-F243 HydrophobicContact CD1-CB 4.38Å; F183-F243 AromaticContact CD1-CD1 3.93Å; F183-F243 HydrophobicContact CD1-CD1 3.93Å; F183-F243 HydrophobicContact CD1-CG 4.25Å; F183-F243 AromaticContact CD2-CD1 3.62Å; F183-F243 HydrophobicContact CD2-CD1 3.62Å; F183-F243 HydrophobicContact CD2-CD2 4.18Å; F183-F243 AromaticContact CD2-CE1 3.46Å; F183-F243 HydrophobicContact CD2-CE1 3.46Å; F183-F243 VanDerWaalsContact CD2-CE1 3.46Å; F183-F243 HydrophobicContact CD2-CE2 4.04Å; F183-F243 AromaticContact CD2-CG 3.98Å; F183-F243 HydrophobicContact CD2-CG 3.98Å; F183-F243 AromaticContact CD2-CZ 3.68Å; F183-F243 HydrophobicContact CD2-CZ 3.68Å; F183-F243 HydrophobicContact CE1-CB 3.85Å; F183-F243 HydrophobicContact CE1-CD1 4.16Å; F183-F243 AromaticContact CE1-CG 3.99Å; F183-F243 HydrophobicContact CE1-CG 3.99Å; F183-F243 HydrophobicContact CE2-CB 4.38Å; F183-F243 AromaticContact CE2-CD1 3.9Å; F183-F243 HydrophobicContact CE2-CD1 3.9Å; F183-F243 AromaticContact CE2-CD2 3.68Å; F183-F243 HydrophobicContact CE2-CD2 3.68Å; F183-F243 AromaticContact CE2-CE1 4Å; F183-F243 HydrophobicContact CE2-CE1 4Å; F183-F243 AromaticContact CE2-CE2 3.79Å; F183-F243 HydrophobicContact CE2-CE2 3.79Å; F183-F243 AromaticContact CE2-CG 3.74Å; F183-F243 HydrophobicContact CE2-CG 3.74Å; F183-F243 AromaticContact CE2-CZ 3.94Å; F183-F243 HydrophobicContact CE2-CZ 3.94Å; F183-F243 AromaticContact CG-CD1 3.59Å; F183-F243 HydrophobicContact CG-CD1 3.59Å; F183-F243 AromaticContact CG-CE1 3.72Å; F183-F243 HydrophobicContact CG-CE1 3.72Å; F183-F243 HydrophobicContact CG-CG 4.19Å; F183-F243 HydrophobicContact CG-CZ 4.4Å; F183-F243 HydrophobicContact CZ-CB 3.82Å; F183-F243 HydrophobicContact CZ-CD1 4.11Å; F183-F243 AromaticContact CZ-CD2 3.9Å; F183-F243 HydrophobicContact CZ-CD2 3.9Å; F183-F243 HydrophobicContact CZ-CE2 4.47Å; F183-F243 AromaticContact CZ-CG 3.7Å; F183-F243 HydrophobicContact CZ-CG 3.7Å; F183-A246 HydrophobicContact CD1-CB 3.51Å; F183-A246 HydrophobicContact CE1-CB 4.13Å; F183-V267 HydrophobicContact CZ-CG1 4.32Å; F183-V267 HydrophobicContact CZ-CG2 4.34Å |
| 184 | K | 94.2 | Very high | 90.6 | Very high | 37 Ų | 37 | 55 Ų | 55 | 16% | 0.161 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 170.6 | -72.3 | 171.8 | -178.6 | 171.4 | 0 | 112.2 | K180 N181 R182 L187 R188 A246 E249 V250 | K180-K184 VanDerWaalsContact O-CG 3.26Å; K180-K184 WeakPolarHBondContact O-CG 2.94Å; K180-K184 PolarHBondContact O-N 3.19Å; N181-K184 WeakPolarHBondContact O-CB 3.41Å; N181-K184 PolarHBondContact O-N 3.23Å; R182-K184 PolarHBondContact O-N 2.88Å; K184-L187 PolarHBondContact O-N 3.19Å; K184-R188 WeakPolarHBondContact O-CG 3.37Å; K184-R188 PolarHBondContact O-N 3.05Å; K184-A246 HydrophobicContact CG-CB 4.02Å; K184-E249 WeakPolarHBondContact CE-OE2 3.25Å; K184-E249 IonicContact NZ-OE2 2.63Å; K184-E249 PolarHBondContact NZ-OE2 2.84Å; K184-V250 HydrophobicContact CB-CG2 4.11Å; K184-V250 HydrophobicContact CG-CG2 3.85Å |
| 185 | A | 92.5 | Very high | 90.2 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60 | -50.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | N181 R182 L187 R188 T189 | N181-A185 PolarHBondContact O-N 3.41Å; R182-A185 WeakPolarHBondContact O-CB 3.43Å; R182-A185 PolarHBondContact O-N 3.02Å; A185-L187 VanDerWaalsContact C-N 3.35Å; A185-L187 PolarHBondContact O-N 3.24Å; A185-R188 CarbonylContact O-C 3.57Å; A185-R188 WeakPolarHBondContact O-CA 3.46Å; A185-R188 WeakPolarHBondContact O-CB 3.36Å; A185-R188 PolarHBondContact O-N 3.46Å; A185-T189 WeakPolarHBondContact O-CG2 3.4Å; A185-T189 PolarHBondContact O-N 2.91Å; A185-T189 PolarHBondContact O-OG1 3.49Å |
| 186 | F | 93.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -50.1 | -49.2 | 174.3 | 168.5 | -106.8 | 0 | 0 | 0 | 113 | R182 F183 R188 T189 F190 Y199 I216 H220 L221 A224 | R182-F186 WeakPolarHBondContact O-CB 3.14Å; R182-F186 PolarHBondContact O-N 3.29Å; F183-F186 HydrophobicContact CD2-CD1 4.14Å; F183-F186 HydrophobicContact CE2-CD1 4.21Å; F183-F186 HydrophobicContact CE2-CE1 4.48Å; F183-F186 WeakPolarHBondContact O-CB 3.21Å; F183-F186 PolarHBondContact O-N 3.39Å; F186-R188 PolarHBondContact O-N 3.46Å; F186-T189 PolarHBondContact O-N 3.04Å; F186-F190 HydrophobicContact CD2-CB 4.04Å; F186-F190 HydrophobicContact CD2-CD2 4.16Å; F186-F190 HydrophobicContact CD2-CG 4.37Å; F186-F190 HydrophobicContact CE2-CB 3.99Å; F186-F190 AromaticContact CE2-CD2 3.57Å; F186-F190 HydrophobicContact CE2-CD2 3.57Å; F186-F190 HydrophobicContact CE2-CE2 4.28Å; F186-F190 AromaticContact CE2-CG 3.86Å; F186-F190 HydrophobicContact CE2-CG 3.86Å; F186-F190 HydrophobicContact CZ-CD2 4.46Å; F186-F190 HydrophobicContact CZ-CG 4.48Å; F186-F190 WeakPolarHBondContact O-CB 3.15Å; F186-F190 PolarHBondContact O-N 3.47Å; F186-Y199 HydrophobicContact CE1-CD2 4.18Å; F186-Y199 AromaticContact CE1-CE2 3.65Å; F186-Y199 HydrophobicContact CE1-CE2 3.65Å; F186-Y199 HydrophobicContact CE2-CE2 4.01Å; F186-Y199 HydrophobicContact CZ-CD2 4.16Å; F186-Y199 AromaticContact CZ-CE2 3.3Å; F186-Y199 HydrophobicContact CZ-CE2 3.3Å; F186-Y199 AromaticContact CZ-CZ 3.75Å; F186-I216 HydrophobicContact CE1-CG2 4.14Å; F186-H220 HydrophobicContact CE2-CB 4.46Å; F186-H220 HydrophobicContact CZ-CB 4.16Å; F186-L221 HydrophobicContact CD1-CD1 4.2Å; F186-L221 HydrophobicContact CE1-CD1 4.12Å; F186-L221 HydrophobicContact CG-CD1 4.44Å; F186-L221 HydrophobicContact CZ-CB 4.27Å; F186-L221 HydrophobicContact CZ-CD1 4.28Å; F186-A224 HydrophobicContact CD2-CB 3.56Å; F186-A224 HydrophobicContact CE2-CB 3.79Å |
| 187 | L | 92.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -23 | 177.9 | -70.3 | 178.2 | 0 | 0 | 0 | 113.8 | F183 K184 A185 Y199 L214 I216 A247 V250 | F183-L187 HydrophobicContact CD1-CD1 4.01Å; F183-L187 HydrophobicContact CD1-CG 4.37Å; F183-L187 HydrophobicContact CE1-CD1 3.65Å; F183-L187 HydrophobicContact CE1-CG 4.14Å; F183-L187 HydrophobicContact CZ-CD1 4.3Å; F183-L187 HydrophobicContact CZ-CD2 4.46Å; F183-L187 HydrophobicContact CZ-CG 4.43Å; F183-L187 WeakPolarHBondContact O-CG 3.26Å; F183-L187 PolarHBondContact O-N 2.91Å; K184-L187 PolarHBondContact O-N 3.19Å; A185-L187 VanDerWaalsContact C-N 3.35Å; A185-L187 PolarHBondContact O-N 3.24Å; L187-Y199 HydrophobicContact CD2-CD1 4.28Å; L187-Y199 HydrophobicContact CD2-CD2 4.46Å; L187-Y199 HydrophobicContact CD2-CG 3.98Å; L187-L214 HydrophobicContact CD1-CD2 4.45Å; L187-L214 HydrophobicContact CD2-CD2 4.2Å; L187-I216 HydrophobicContact CD2-CD1 4.07Å; L187-A247 HydrophobicContact CD1-CB 4.43Å; L187-V250 HydrophobicContact CD1-CB 4.39Å; L187-V250 HydrophobicContact CD1-CG2 4.14Å |
| 188 | R | 90.2 | Very high | 89.3 | Confident | 131 Ų | 131 | 57.9 Ų | 57.9 | 49% | 0.494 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -95.6 | -33.7 | -179.3 | -69.7 | 173.7 | 179.5 | 179.7 | -2 | 113.2 | K184 A185 F186 N197 | K184-R188 WeakPolarHBondContact O-CG 3.37Å; K184-R188 PolarHBondContact O-N 3.05Å; A185-R188 CarbonylContact O-C 3.57Å; A185-R188 WeakPolarHBondContact O-CA 3.46Å; A185-R188 WeakPolarHBondContact O-CB 3.36Å; A185-R188 PolarHBondContact O-N 3.46Å; F186-R188 PolarHBondContact O-N 3.46Å; R188-N197 PolarHBondContact O-ND2 3.37Å |
| 189 | T | 89.6 | Confident | 89.3 | Confident | 99 Ų | 99 | 56.5 Ų | 56.5 | 61% | 0.607 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -103.8 | -18.4 | -170.2 | 60 | 0 | 0 | 0 | 0 | 113.8 | A185 F186 L191 | A185-T189 WeakPolarHBondContact O-CG2 3.4Å; A185-T189 PolarHBondContact O-N 2.91Å; A185-T189 PolarHBondContact O-OG1 3.49Å; F186-T189 PolarHBondContact O-N 3.04Å; T189-L191 PolarHBondContact O-N 3.1Å |
| 190 | F | 89.9 | Confident | 89.1 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | trans | -65.2 | 121.3 | -176.8 | -176.5 | -93.3 | 0 | 0 | 0 | 111.5 | F186 N197 Y199 H220 A224 | F186-F190 HydrophobicContact CD2-CB 4.04Å; F186-F190 HydrophobicContact CD2-CD2 4.16Å; F186-F190 HydrophobicContact CD2-CG 4.37Å; F186-F190 HydrophobicContact CE2-CB 3.99Å; F186-F190 AromaticContact CE2-CD2 3.57Å; F186-F190 HydrophobicContact CE2-CD2 3.57Å; F186-F190 HydrophobicContact CE2-CE2 4.28Å; F186-F190 AromaticContact CE2-CG 3.86Å; F186-F190 HydrophobicContact CE2-CG 3.86Å; F186-F190 HydrophobicContact CZ-CD2 4.46Å; F186-F190 HydrophobicContact CZ-CG 4.48Å; F186-F190 WeakPolarHBondContact O-CB 3.15Å; F186-F190 PolarHBondContact O-N 3.47Å; F190-N197 PolarHBondContact O-OD1 2.8Å; F190-Y199 HydrophobicContact CB-CD2 3.95Å; F190-Y199 HydrophobicContact CB-CE2 4.12Å; F190-Y199 AromaticContact CD1-CD2 3.72Å; F190-Y199 HydrophobicContact CD1-CD2 3.72Å; F190-Y199 AromaticContact CD1-CE2 3.42Å; F190-Y199 HydrophobicContact CD1-CE2 3.42Å; F190-Y199 VanDerWaalsContact CD1-CE2 3.42Å; F190-Y199 AromaticContact CE1-CE2 4Å; F190-Y199 HydrophobicContact CE1-CE2 4Å; F190-Y199 HydrophobicContact CG-CD2 4.07Å; F190-Y199 AromaticContact CG-CE2 3.79Å; F190-Y199 HydrophobicContact CG-CE2 3.79Å; F190-H220 HydrophobicContact CD2-CB 4.47Å; F190-H220 HydrophobicContact CE1-CB 3.93Å; F190-H220 AromaticContact CE1-CE1 3.94Å; F190-H220 AromaticContact CE1-CG 3.64Å; F190-H220 AromaticContact CE1-ND1 3.36Å; F190-H220 WeakPolarHBondContact CE1-ND1 3.43Å; F190-H220 HydrophobicContact CE2-CB 3.74Å; F190-H220 HydrophobicContact CZ-CB 3.43Å; F190-H220 VanDerWaalsContact CZ-CB 3.43Å; F190-H220 AromaticContact CZ-CD2 3.83Å; F190-H220 AromaticContact CZ-CG 3.33Å; F190-H220 AromaticContact CZ-ND1 3.59Å; F190-A224 HydrophobicContact CD2-CB 4.18Å | ||
| 191 | L | 88.6 | Confident | 88.8 | Confident | 89 Ų | 89 | 61 Ų | 61 | 47% | 0.466 | 30% | 0.304 | S | S | . | . | trans | -112.5 | 138.2 | 173.4 | -59.1 | 178.6 | 0 | 0 | 0 | 108.6 | T189 N197 | T189-L191 PolarHBondContact O-N 3.1Å; L191-N197 HydrophobicContact CD2-CB 4.02Å | ||
| 192 | D | 82.7 | Confident | 88.7 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | trans | -78.5 | 177.2 | 173.1 | -168.2 | 16.1 | 0 | 0 | 0 | 111.4 | N194 D195 R196 V198 | D192-N194 PolarHBondContact O-N 3.29Å; D192-D195 PolarHBondContact O-N 3.24Å; D192-R196 PolarHBondContact N-O 3.08Å; D192-V198 HydrophobicContact CB-CG2 3.52Å | ||
| 193 | E | 82.5 | Confident | 88.7 | Confident | 185 Ų | 185 | 58.7 Ų | 58.7 | 86% | 0.864 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -22.3 | 177.6 | -62.8 | -175.9 | 170.5 | 0 | 0 | 113.5 | ||
| 194 | N | 81.2 | Confident | 88.5 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 16.3 | 178.4 | -67.8 | -38.7 | 0 | 0 | 0 | 114.1 | D192 R196 | D192-N194 PolarHBondContact O-N 3.29Å; N194-R196 PolarHBondContact O-N 3.02Å; N194-R196 VanDerWaalsContact O-N 3.08Å |
| 195 | D | 80.2 | Confident | 88.3 | Confident | 132 Ų | 132 | 63 Ų | 63 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 56.9 | 21.5 | -177 | -64.2 | -42.9 | 0 | 0 | 0 | 114.6 | D192 | D192-D195 PolarHBondContact O-N 3.24Š|
| 196 | R | 83.8 | Confident | 88.2 | Confident | 95 Ų | 95 | 61.2 Ų | 61.2 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | trans | -96.9 | 138.4 | 175.5 | -62.8 | -171.8 | -167.1 | 142.7 | 16.7 | 110.4 | D192 N194 V198 E444 | D192-R196 PolarHBondContact N-O 3.08Å; N194-R196 PolarHBondContact O-N 3.02Å; N194-R196 VanDerWaalsContact O-N 3.08Å; R196-V198 PolarHBondContact O-N 2.84Å; R196-E444 IonicContact CZ-OE1 3.97Å; R196-E444 IonicContact NH1-OE1 3.64Å; R196-E444 PolarHBondContact NH1-OE1 2.9Å; R196-E444 IonicContact NH2-OE1 3.1Å; R196-E444 PolarHBondContact NH2-OE1 3.01Å | ||
| 197 | N | 85.2 | Confident | 88.1 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 16% | 0.16 | 30% | 0.303 | C | S | . | . | trans | -80.2 | 92.5 | 174.3 | -170.3 | -28.6 | 0 | 0 | 0 | 110.2 | R188 F190 L191 Y199 A200 E201 | R188-N197 PolarHBondContact O-ND2 3.37Å; F190-N197 PolarHBondContact O-OD1 2.8Å; L191-N197 HydrophobicContact CD2-CB 4.02Å; N197-Y199 VanDerWaalsContact C-N 3.31Å; N197-Y199 PolarHBondContact O-N 3.2Å; N197-Y199 PolarHBondContact OD1-N 2.91Å; N197-A200 HydrophobicContact CB-CB 3.76Å; N197-A200 WeakPolarHBondContact O-CB 3.47Å; N197-A200 PolarHBondContact O-N 2.78Å; N197-A200 WeakPolarHBondContact OD1-CB 3.15Å; N197-A200 PolarHBondContact OD1-N 3.24Å; N197-E201 PolarHBondContact O-N 3.43Å | ||
| 198 | V | 88.2 | Confident | 88 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 12% | 0.121 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.7 | -38.7 | -175.8 | 171.7 | 0 | 0 | 0 | 0 | 112.1 | D192 R196 E201 R202 | D192-V198 HydrophobicContact CB-CG2 3.52Å; R196-V198 PolarHBondContact O-N 2.84Å; V198-E201 PolarHBondContact O-N 3.43Å; V198-R202 HydrophobicContact CG1-CG 4.35Å; V198-R202 VanDerWaalsContact CG1-NE 3.32Å; V198-R202 WeakPolarHBondContact O-CB 2.98Å; V198-R202 VanDerWaalsContact O-CG 3.27Å; V198-R202 WeakPolarHBondContact O-CG 2.97Å; V198-R202 PolarHBondContact O-N 3.21Å |
| 199 | Y | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -75.6 | -34.5 | -177.8 | -65.1 | -60.3 | 0 | 0 | 0 | 112.5 | F186 L187 F190 N197 E201 R202 I203 I216 D217 H220 | F186-Y199 HydrophobicContact CE1-CD2 4.18Å; F186-Y199 AromaticContact CE1-CE2 3.65Å; F186-Y199 HydrophobicContact CE1-CE2 3.65Å; F186-Y199 HydrophobicContact CE2-CE2 4.01Å; F186-Y199 HydrophobicContact CZ-CD2 4.16Å; F186-Y199 AromaticContact CZ-CE2 3.3Å; F186-Y199 HydrophobicContact CZ-CE2 3.3Å; F186-Y199 AromaticContact CZ-CZ 3.75Å; L187-Y199 HydrophobicContact CD2-CD1 4.28Å; L187-Y199 HydrophobicContact CD2-CD2 4.46Å; L187-Y199 HydrophobicContact CD2-CG 3.98Å; F190-Y199 HydrophobicContact CB-CD2 3.95Å; F190-Y199 HydrophobicContact CB-CE2 4.12Å; F190-Y199 AromaticContact CD1-CD2 3.72Å; F190-Y199 HydrophobicContact CD1-CD2 3.72Å; F190-Y199 AromaticContact CD1-CE2 3.42Å; F190-Y199 HydrophobicContact CD1-CE2 3.42Å; F190-Y199 VanDerWaalsContact CD1-CE2 3.42Å; F190-Y199 AromaticContact CE1-CE2 4Å; F190-Y199 HydrophobicContact CE1-CE2 4Å; F190-Y199 HydrophobicContact CG-CD2 4.07Å; F190-Y199 AromaticContact CG-CE2 3.79Å; F190-Y199 HydrophobicContact CG-CE2 3.79Å; N197-Y199 VanDerWaalsContact C-N 3.31Å; N197-Y199 PolarHBondContact O-N 3.2Å; N197-Y199 PolarHBondContact OD1-N 2.91Å; Y199-E201 VanDerWaalsContact C-N 3.32Å; Y199-E201 PolarHBondContact O-N 3.37Å; Y199-R202 PolarHBondContact O-N 2.9Å; Y199-I203 WeakPolarHBondContact O-CB 3.39Å; Y199-I203 WeakPolarHBondContact O-CG1 3.4Å; Y199-I203 PolarHBondContact O-N 3.08Å; Y199-I216 HydrophobicContact CD1-CG1 4.47Å; Y199-I216 HydrophobicContact CE1-CB 4.28Å; Y199-I216 HydrophobicContact CE1-CG1 4.04Å; Y199-I216 HydrophobicContact CE1-CG2 4.17Å; Y199-D217 PolarHBondContact OH-N 3.24Å; Y199-H220 HydrophobicContact CE2-CB 4.31Å; Y199-H220 AromaticContact CZ-ND1 3.78Å; Y199-H220 WeakPolarHBondContact OH-CB 3.49Å; Y199-H220 PolarHBondContact OH-ND1 3.3Å; Y199-H220 VanDerWaalsContact OH-ND1 3.11Å |
| 200 | A | 89.9 | Confident | 88.1 | Confident | 9 Ų | 9 | 69 Ų | 69 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.9 | -47.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N197 V204 R254 | N197-A200 HydrophobicContact CB-CB 3.76Å; N197-A200 WeakPolarHBondContact O-CB 3.47Å; N197-A200 PolarHBondContact O-N 2.78Å; N197-A200 WeakPolarHBondContact OD1-CB 3.15Å; N197-A200 PolarHBondContact OD1-N 3.24Å; A200-V204 VanDerWaalsContact O-CG2 3.31Å; A200-V204 WeakPolarHBondContact O-CG2 3.46Å; A200-V204 PolarHBondContact O-N 3.21Å; A200-R254 PolarHBondContact O-NH1 3.43Å |
| 201 | E | 88.7 | Confident | 88.1 | Confident | 114 Ų | 114 | 73 Ų | 73 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 178.1 | -69.3 | -178.8 | 177.6 | 0 | 0 | 112 | N197 V198 Y199 I203 V204 Q205 | N197-E201 PolarHBondContact O-N 3.43Å; V198-E201 PolarHBondContact O-N 3.43Å; Y199-E201 VanDerWaalsContact C-N 3.32Å; Y199-E201 PolarHBondContact O-N 3.37Å; E201-I203 VanDerWaalsContact C-N 3.34Å; E201-I203 PolarHBondContact O-N 3.15Å; E201-V204 CarbonylContact O-C 3.4Å; E201-V204 WeakPolarHBondContact O-CB 3.26Å; E201-V204 PolarHBondContact O-N 3.21Å; E201-V204 VanDerWaalsContact O-N 3.1Å; E201-Q205 PolarHBondContact O-N 3.4Å |
| 202 | R | 90.1 | Very high | 88.2 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 28% | 0.279 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.3 | -74.8 | 179.1 | -172.9 | -178.7 | 8.2 | 112.7 | V198 Y199 V204 Q205 M206 L214 H215 | V198-R202 HydrophobicContact CG1-CG 4.35Å; V198-R202 VanDerWaalsContact CG1-NE 3.32Å; V198-R202 WeakPolarHBondContact O-CB 2.98Å; V198-R202 VanDerWaalsContact O-CG 3.27Å; V198-R202 WeakPolarHBondContact O-CG 2.97Å; V198-R202 PolarHBondContact O-N 3.21Å; Y199-R202 PolarHBondContact O-N 2.9Å; R202-V204 VanDerWaalsContact C-N 3.31Å; R202-V204 PolarHBondContact O-N 3.04Å; R202-Q205 PolarHBondContact O-N 3.39Å; R202-M206 VanDerWaalsContact O-CB 3.26Å; R202-M206 WeakPolarHBondContact O-CB 3.35Å; R202-M206 PolarHBondContact O-N 3Å; R202-L214 HydrophobicContact CB-CD1 4.24Å; R202-H215 PolarHBondContact NH1-O 2.99Å |
| 203 | I | 92.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 175 | -69.9 | 166.6 | 0 | 0 | 0 | 110.5 | Y199 E201 A207 L214 V250 T251 | Y199-I203 WeakPolarHBondContact O-CB 3.39Å; Y199-I203 WeakPolarHBondContact O-CG1 3.4Å; Y199-I203 PolarHBondContact O-N 3.08Å; E201-I203 VanDerWaalsContact C-N 3.34Å; E201-I203 PolarHBondContact O-N 3.15Å; I203-A207 WeakPolarHBondContact O-CB 3.5Å; I203-A207 PolarHBondContact O-N 2.97Å; I203-L214 HydrophobicContact CG1-CD1 3.82Å; I203-L214 HydrophobicContact CG1-CD2 4.25Å; I203-V250 HydrophobicContact CD1-CG1 3.89Å; I203-T251 HydrophobicContact CG2-CG2 4.18Å |
| 204 | V | 91.5 | Very high | 89.2 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 20% | 0.2 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 175.5 | 173 | 0 | 0 | 0 | 0 | 110.9 | A200 E201 R202 A207 R208 F255 | A200-V204 VanDerWaalsContact O-CG2 3.31Å; A200-V204 WeakPolarHBondContact O-CG2 3.46Å; A200-V204 PolarHBondContact O-N 3.21Å; E201-V204 CarbonylContact O-C 3.4Å; E201-V204 WeakPolarHBondContact O-CB 3.26Å; E201-V204 PolarHBondContact O-N 3.21Å; E201-V204 VanDerWaalsContact O-N 3.1Å; R202-V204 VanDerWaalsContact C-N 3.31Å; R202-V204 PolarHBondContact O-N 3.04Å; V204-A207 PolarHBondContact O-N 3.35Å; V204-R208 HydrophobicContact CG1-CG 4.44Å; V204-R208 WeakPolarHBondContact O-CB 3.32Å; V204-R208 VanDerWaalsContact O-CG 3.31Å; V204-R208 WeakPolarHBondContact O-CG 3.25Å; V204-R208 PolarHBondContact O-N 2.83Å; V204-F255 HydrophobicContact CG2-CE2 4.17Å; V204-F255 HydrophobicContact CG2-CZ 4.15Å |
| 205 | Q | 89.9 | Confident | 89.8 | Confident | 95 Ų | 95 | 59.6 Ų | 59.6 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 176.4 | -175 | 178.1 | 5.2 | 0 | 0 | 111.7 | E201 R202 A207 R208 E209 | E201-Q205 PolarHBondContact O-N 3.4Å; R202-Q205 PolarHBondContact O-N 3.39Å; Q205-A207 VanDerWaalsContact C-N 3.31Å; Q205-A207 PolarHBondContact O-N 2.7Å; Q205-R208 PolarHBondContact O-N 3Å; Q205-E209 PolarHBondContact NE2-OE1 2.7Å; Q205-E209 PolarHBondContact O-N 3.44Å |
| 206 | M | 91.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.7 | -47.7 | 175 | 179 | -172.6 | 80.1 | 0 | 0 | 111 | R202 E209 N210 K211 L214 T251 V265 | R202-M206 VanDerWaalsContact O-CB 3.26Å; R202-M206 WeakPolarHBondContact O-CB 3.35Å; R202-M206 PolarHBondContact O-N 3Å; M206-E209 PolarHBondContact O-N 3.17Å; M206-N210 PolarHBondContact O-N 3.42Å; M206-N210 VanDerWaalsContact O-N 3.15Å; M206-K211 HydrophobicContact CG-CB 4.12Å; M206-K211 WeakPolarHBondContact CG-O 3.38Å; M206-K211 PolarHBondContact O-N 2.92Å; M206-L214 HydrophobicContact SD-CB 4.01Å; M206-T251 HydrophobicContact CE-CG2 3.86Å; M206-V265 HydrophobicContact CE-CG1 4.09Å; M206-V265 HydrophobicContact CE-CG2 4.45Å; M206-V265 HydrophobicContact SD-CG1 4.01Å |
| 207 | A | 91 | Very high | 90.8 | Very high | 15 Ų | 15 | 49.9 Ų | 49.9 | 12% | 0.124 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.4 | -37.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I203 V204 Q205 E209 N210 F255 Y258 | I203-A207 WeakPolarHBondContact O-CB 3.5Å; I203-A207 PolarHBondContact O-N 2.97Å; V204-A207 PolarHBondContact O-N 3.35Å; Q205-A207 VanDerWaalsContact C-N 3.31Å; Q205-A207 PolarHBondContact O-N 2.7Å; A207-E209 VanDerWaalsContact C-N 3.33Å; A207-N210 PolarHBondContact O-N 3.24Å; A207-F255 HydrophobicContact CB-CD2 3.97Å; A207-F255 HydrophobicContact CB-CE2 3.92Å; A207-F255 HydrophobicContact CB-CZ 4.49Å; A207-Y258 HydrophobicContact CB-CD2 4.26Å; A207-Y258 HydrophobicContact CB-CE2 4.22Å |
| 208 | R | 91.4 | Very high | 91.2 | Very high | 201 Ų | 201 | 50 Ų | 50 | 76% | 0.758 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.2 | -37.5 | 175.7 | -77 | 175.7 | 179.5 | 171.7 | 1.7 | 112.4 | V204 Q205 N210 | V204-R208 HydrophobicContact CG1-CG 4.44Å; V204-R208 WeakPolarHBondContact O-CB 3.32Å; V204-R208 VanDerWaalsContact O-CG 3.31Å; V204-R208 WeakPolarHBondContact O-CG 3.25Å; V204-R208 PolarHBondContact O-N 2.83Å; Q205-R208 PolarHBondContact O-N 3Å; R208-N210 VanDerWaalsContact C-N 3.34Å |
| 209 | E | 90.2 | Very high | 91.4 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 1.6 | -178.9 | -65.2 | 177.1 | -164.4 | 0 | 0 | 113.2 | Q205 M206 A207 K211 | Q205-E209 PolarHBondContact NE2-OE1 2.7Å; Q205-E209 PolarHBondContact O-N 3.44Å; M206-E209 PolarHBondContact O-N 3.17Å; A207-E209 VanDerWaalsContact C-N 3.33Å; E209-K211 HydrophobicContact CB-CD 4.12Å; E209-K211 HydrophobicContact CB-CG 4Å; E209-K211 PolarHBondContact O-N 3.4Å; E209-K211 WeakPolarHBondContact OE2-CD 3.27Å; E209-K211 WeakPolarHBondContact OE2-CE 3.45Å; E209-K211 IonicContact OE2-NZ 2.68Å; E209-K211 PolarHBondContact OE2-NZ 2.72Å |
| 210 | N | 90.2 | Very high | 91.5 | Very high | 93 Ų | 93 | 56.3 Ų | 56.3 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 32 | -173.9 | -57.3 | -49.7 | 0 | 0 | 0 | 113.3 | M206 A207 R208 I261 | M206-N210 PolarHBondContact O-N 3.42Å; M206-N210 VanDerWaalsContact O-N 3.15Å; A207-N210 PolarHBondContact O-N 3.24Å; R208-N210 VanDerWaalsContact C-N 3.34Å; N210-I261 HydrophobicContact CB-CG2 4.09Å; N210-I261 WeakPolarHBondContact OD1-CD1 3.29Å |
| 211 | K | 90.4 | Very high | 91.6 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | trans | -85.8 | 148.7 | 176.1 | -73.1 | 178.7 | 174.1 | 168.8 | 0 | 109.8 | M206 E209 Y258 | M206-K211 HydrophobicContact CG-CB 4.12Å; M206-K211 WeakPolarHBondContact CG-O 3.38Å; M206-K211 PolarHBondContact O-N 2.92Å; E209-K211 HydrophobicContact CB-CD 4.12Å; E209-K211 HydrophobicContact CB-CG 4Å; E209-K211 PolarHBondContact O-N 3.4Å; E209-K211 WeakPolarHBondContact OE2-CD 3.27Å; E209-K211 WeakPolarHBondContact OE2-CE 3.45Å; E209-K211 IonicContact OE2-NZ 2.68Å; E209-K211 PolarHBondContact OE2-NZ 2.72Å; K211-Y258 PolarHBondContact O-OH 2.81Å | ||
| 212 | H | 91.1 | Very high | 91.8 | Very high | 44 Ų | 44 | 52 Ų | 52 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | trans | -110.9 | 17.9 | 176.2 | 59.6 | -85.5 | 0 | 0 | 0 | 113.1 | T262 R264 V265 H266 D386 | H212-T262 HydrophobicContact CB-CG2 4.11Å; H212-R264 WeakPolarHBondContact CB-O 3.41Å; H212-V265 CarbonylContact O-C 3.35Å; H212-V265 WeakPolarHBondContact O-CA 3.33Å; H212-H266 AromaticContact CD2-CD2 3.86Å; H212-H266 PolarHBondContact O-N 3.43Å; H212-D386 WeakPolarHBondContact NE2-CB 3.26Å; H212-D386 IonicContact NE2-OD1 2.58Å | ||
| 213 | S | 92.7 | Very high | 91.9 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.1 | 174.2 | 19.2 | 0 | 0 | 0 | 0 | 111.9 | H266 D386 | S213-H266 WeakPolarHBondContact CA-O 3.37Å; S213-D386 WeakPolarHBondContact CB-OD2 3.16Å; S213-D386 PolarHBondContact OG-OD2 2.95Å |
| 214 | L | 93.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 113.9 | 172.5 | -178.9 | 63.3 | 0 | 0 | 0 | 109.7 | L187 R202 I203 M206 I216 A247 V265 H266 V267 R268 | L187-L214 HydrophobicContact CD1-CD2 4.45Å; L187-L214 HydrophobicContact CD2-CD2 4.2Å; R202-L214 HydrophobicContact CB-CD1 4.24Å; I203-L214 HydrophobicContact CG1-CD1 3.82Å; I203-L214 HydrophobicContact CG1-CD2 4.25Å; M206-L214 HydrophobicContact SD-CB 4.01Å; L214-I216 HydrophobicContact CD2-CD1 4.32Å; L214-I216 HydrophobicContact CG-CG1 4.27Å; L214-A247 HydrophobicContact CD2-CB 3.95Å; L214-V265 HydrophobicContact CB-CG1 4.35Å; L214-H266 PolarHBondContact N-O 3.39Å; L214-V267 WeakPolarHBondContact O-CA 3.43Å; L214-R268 PolarHBondContact O-N 3.49Å |
| 215 | H | 93 | Very high | 91.7 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 36% | 0.356 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.2 | 177.9 | -67.8 | -81.1 | 0 | 0 | 0 | 112 | R202 R268 N270 | R202-H215 PolarHBondContact NH1-O 2.99Å; H215-R268 CarbonylContact C-O 3.6Å; H215-R268 WeakPolarHBondContact CA-O 3.4Å; H215-N270 PolarHBondContact ND1-OD1 3.27Å |
| 216 | I | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.8 | 179.5 | -59.9 | -172.7 | 0 | 0 | 0 | 109.8 | F183 F186 L187 Y199 L214 V267 R268 I269 N270 | F183-I216 HydrophobicContact CE1-CD1 4.38Å; F183-I216 HydrophobicContact CE2-CD1 3.68Å; F183-I216 HydrophobicContact CZ-CD1 3.27Å; F186-I216 HydrophobicContact CE1-CG2 4.14Å; L187-I216 HydrophobicContact CD2-CD1 4.07Å; Y199-I216 HydrophobicContact CD1-CG1 4.47Å; Y199-I216 HydrophobicContact CE1-CB 4.28Å; Y199-I216 HydrophobicContact CE1-CG1 4.04Å; Y199-I216 HydrophobicContact CE1-CG2 4.17Å; L214-I216 HydrophobicContact CD2-CD1 4.32Å; L214-I216 HydrophobicContact CG-CG1 4.27Å; I216-V267 HydrophobicContact CB-CG1 4.34Å; I216-V267 HydrophobicContact CD1-CG1 3.45Å; I216-V267 VanDerWaalsContact CD1-CG1 3.45Å; I216-V267 HydrophobicContact CG1-CG1 3.91Å; I216-R268 PolarHBondContact N-O 3.44Å; I216-I269 HydrophobicContact CB-CD1 4.34Å; I216-N270 PolarHBondContact O-N 3.36Å |
| 217 | D | 92.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 128.4 | 173.9 | -167.1 | -27.9 | 0 | 0 | 0 | 109.6 | Y199 Q219 H220 L221 | Y199-D217 PolarHBondContact OH-N 3.24Å; D217-Q219 PolarHBondContact O-N 3.17Å; D217-Q219 PolarHBondContact OD1-N 3.15Å; D217-H220 HydrophobicContact CB-CB 4.3Å; D217-H220 PolarHBondContact O-N 3.13Å; D217-H220 IonicContact OD2-NE2 2.8Å; D217-L221 PolarHBondContact O-N 2.98Å |
| 218 | Y | 93.9 | Very high | 91.9 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 13% | 0.125 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -33.7 | 176.2 | -176.6 | -88.3 | 0 | 0 | 0 | 112.4 | H220 L221 A222 A229 L232 P233 I269 N270 L272 P273 | Y218-H220 VanDerWaalsContact C-N 3.34Å; Y218-H220 PolarHBondContact O-N 3.29Å; Y218-L221 PolarHBondContact O-N 3.32Å; Y218-A222 HydrophobicContact CE1-CB 4.25Å; Y218-A222 WeakPolarHBondContact O-CB 3.47Å; Y218-A222 PolarHBondContact O-N 3.28Å; Y218-A229 HydrophobicContact CE2-CB 4.17Å; Y218-A229 PolarHBondContact OH-O 3.11Å; Y218-L232 HydrophobicContact CD2-CD2 3.91Å; Y218-L232 HydrophobicContact CE2-CD2 4.11Å; Y218-P233 HydrophobicContact CE2-CG 4.22Å; Y218-I269 HydrophobicContact CD2-CG2 4.49Å; Y218-N270 WeakPolarHBondContact CB-O 3.29Å; Y218-N270 PolarHBondContact N-O 3.41Å; Y218-L272 HydrophobicContact CD1-CD1 4.44Å; Y218-L272 HydrophobicContact CD2-CD1 3.66Å; Y218-L272 HydrophobicContact CE1-CD1 4.48Å; Y218-L272 HydrophobicContact CE2-CD1 3.7Å; Y218-L272 HydrophobicContact CG-CD1 4.03Å; Y218-P273 HydrophobicContact CD1-CG 4.08Å; Y218-P273 VanDerWaalsContact CE1-CD 3.48Å; Y218-P273 HydrophobicContact CE1-CG 3.83Å |
| 219 | Q | 92.1 | Very high | 92 | Very high | 121 Ų | 121 | 48.1 Ų | 48.1 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | -179.8 | -60.9 | -175 | 21.4 | 0 | 0 | 111.5 | D217 A222 S223 | D217-Q219 PolarHBondContact O-N 3.17Å; D217-Q219 PolarHBondContact OD1-N 3.15Å; Q219-A222 PolarHBondContact O-N 2.93Å; Q219-S223 PolarHBondContact O-N 2.82Å |
| 220 | H | 92.6 | Very high | 92.1 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 15% | 0.153 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 175.4 | -64.4 | -174.1 | 0 | 0 | 0 | 110.6 | F186 F190 Y199 D217 Y218 A222 S223 A224 | F186-H220 HydrophobicContact CE2-CB 4.46Å; F186-H220 HydrophobicContact CZ-CB 4.16Å; F190-H220 HydrophobicContact CD2-CB 4.47Å; F190-H220 HydrophobicContact CE1-CB 3.93Å; F190-H220 AromaticContact CE1-CE1 3.94Å; F190-H220 AromaticContact CE1-CG 3.64Å; F190-H220 AromaticContact CE1-ND1 3.36Å; F190-H220 WeakPolarHBondContact CE1-ND1 3.43Å; F190-H220 HydrophobicContact CE2-CB 3.74Å; F190-H220 HydrophobicContact CZ-CB 3.43Å; F190-H220 VanDerWaalsContact CZ-CB 3.43Å; F190-H220 AromaticContact CZ-CD2 3.83Å; F190-H220 AromaticContact CZ-CG 3.33Å; F190-H220 AromaticContact CZ-ND1 3.59Å; Y199-H220 HydrophobicContact CE2-CB 4.31Å; Y199-H220 AromaticContact CZ-ND1 3.78Å; Y199-H220 WeakPolarHBondContact OH-CB 3.49Å; Y199-H220 PolarHBondContact OH-ND1 3.3Å; Y199-H220 VanDerWaalsContact OH-ND1 3.11Å; D217-H220 HydrophobicContact CB-CB 4.3Å; D217-H220 PolarHBondContact O-N 3.13Å; D217-H220 IonicContact OD2-NE2 2.8Å; Y218-H220 VanDerWaalsContact C-N 3.34Å; Y218-H220 PolarHBondContact O-N 3.29Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 2.97Å; H220-S223 PolarHBondContact O-N 2.82Å; H220-S223 PolarHBondContact O-OG 3.44Å; H220-A224 PolarHBondContact O-N 3Å; H220-A224 VanDerWaalsContact O-N 3.17Å |
| 221 | L | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.2 | -175.2 | 66.4 | 0 | 0 | 0 | 111.4 | F183 F186 D217 Y218 S223 A224 E225 L228 A229 L232 F243 | F183-L221 HydrophobicContact CD2-CD1 4.43Å; F186-L221 HydrophobicContact CD1-CD1 4.2Å; F186-L221 HydrophobicContact CE1-CD1 4.12Å; F186-L221 HydrophobicContact CG-CD1 4.44Å; F186-L221 HydrophobicContact CZ-CB 4.27Å; F186-L221 HydrophobicContact CZ-CD1 4.28Å; D217-L221 PolarHBondContact O-N 2.98Å; Y218-L221 PolarHBondContact O-N 3.32Å; L221-S223 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 3.09Å; L221-A224 PolarHBondContact O-N 3.41Å; L221-E225 HydrophobicContact CD1-CB 4.47Å; L221-E225 CarbonylContact O-C 3.6Å; L221-E225 VanDerWaalsContact O-C 3.29Å; L221-E225 WeakPolarHBondContact O-CA 3.42Å; L221-E225 PolarHBondContact O-N 3.1Å; L221-L228 HydrophobicContact CD1-CB 4.07Å; L221-L228 HydrophobicContact CD1-CD1 4.24Å; L221-L228 HydrophobicContact CD2-CB 4.45Å; L221-L228 HydrophobicContact CG-CB 4.39Å; L221-A229 HydrophobicContact CG-CB 4.42Å; L221-L232 HydrophobicContact CD2-CD2 4.03Å; L221-F243 HydrophobicContact CD2-CE2 4.15Å; L221-F243 HydrophobicContact CD2-CZ 4.28Å |
| 222 | A | 93.1 | Very high | 92.4 | Very high | 33 Ų | 33 | 41.5 Ų | 41.5 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.4 | -33.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y218 Q219 H220 Q226 A229 | Y218-A222 HydrophobicContact CE1-CB 4.25Å; Y218-A222 WeakPolarHBondContact O-CB 3.47Å; Y218-A222 PolarHBondContact O-N 3.28Å; Q219-A222 PolarHBondContact O-N 2.93Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 2.97Å; A222-Q226 WeakPolarHBondContact O-CG 3.46Å; A222-A229 HydrophobicContact CB-CB 3.93Å |
| 223 | S | 91.8 | Very high | 92.5 | Very high | 83 Ų | 83 | 41 Ų | 41 | 58% | 0.58 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -71 | -39.8 | 178.3 | 69.9 | 0 | 0 | 0 | 0 | 113 | Q219 H220 L221 | Q219-S223 PolarHBondContact O-N 2.82Å; H220-S223 PolarHBondContact O-N 2.82Å; H220-S223 PolarHBondContact O-OG 3.44Å; L221-S223 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 3.09Å |
| 224 | A | 90.3 | Very high | 92.5 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 41% | 0.405 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -87.2 | -46.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | F186 F190 H220 L221 | F186-A224 HydrophobicContact CD2-CB 3.56Å; F186-A224 HydrophobicContact CE2-CB 3.79Å; F190-A224 HydrophobicContact CD2-CB 4.18Å; H220-A224 PolarHBondContact O-N 3Å; H220-A224 VanDerWaalsContact O-N 3.17Å; L221-A224 PolarHBondContact O-N 3.41Å |
| 225 | E | 90.1 | Very high | 92.5 | Very high | 45 Ų | 45 | 44.2 Ų | 44.2 | 21% | 0.21 | 23% | 0.23 | C | C | . | . | trans | -135.6 | 80.8 | -171.4 | -74 | -72 | 179.9 | 0 | 0 | 110.2 | R182 L221 V227 L228 A229 | R182-E225 IonicContact NH1-OE2 2.93Å; L221-E225 HydrophobicContact CD1-CB 4.47Å; L221-E225 CarbonylContact O-C 3.6Å; L221-E225 VanDerWaalsContact O-C 3.29Å; L221-E225 WeakPolarHBondContact O-CA 3.42Å; L221-E225 PolarHBondContact O-N 3.1Å; E225-V227 PolarHBondContact O-N 3.49Å; E225-L228 HydrophobicContact CB-CB 4.15Å; E225-L228 HydrophobicContact CB-CD1 3.96Å; E225-L228 HydrophobicContact CB-CG 4.01Å; E225-L228 HydrophobicContact CG-CD1 4.25Å; E225-L228 PolarHBondContact O-N 3.26Å; E225-A229 PolarHBondContact O-N 3.16Å; E225-A229 VanDerWaalsContact O-N 3.16Å | ||
| 226 | Q | 91.5 | Very high | 92.6 | Very high | 146 Ų | 146 | 40.6 Ų | 40.6 | 68% | 0.682 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -56.4 | -34.9 | -178.9 | -66.3 | 175.4 | 17.5 | 0 | 0 | 112.7 | A222 A229 Y230 | A222-Q226 WeakPolarHBondContact O-CG 3.46Å; Q226-A229 PolarHBondContact O-N 3.26Å; Q226-Y230 PolarHBondContact O-N 3.22Å |
| 227 | V | 92.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | -179.4 | -177 | 0 | 0 | 0 | 0 | 111.5 | L158 E159 E225 A229 Y230 F231 | L158-V227 HydrophobicContact CB-CG1 3.84Å; E159-V227 HydrophobicContact CG-CG1 4.46Å; E159-V227 HydrophobicContact CG-CG2 3.65Å; E225-V227 PolarHBondContact O-N 3.49Å; V227-A229 VanDerWaalsContact C-N 3.34Å; V227-Y230 PolarHBondContact O-N 2.84Å; V227-F231 HydrophobicContact CG1-CD2 4Å; V227-F231 HydrophobicContact CG1-CE2 3.37Å; V227-F231 HydrophobicContact CG1-CZ 3.77Å; V227-F231 WeakPolarHBondContact O-CD2 3.49Å; V227-F231 WeakPolarHBondContact O-CG 3.33Å; V227-F231 PolarHBondContact O-N 2.89Å; V227-F231 VanDerWaalsContact O-N 3.11Å |
| 228 | L | 92.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67 | -38.7 | 176.6 | -64.2 | -173.5 | 0 | 0 | 0 | 111.4 | I179 R182 F183 L221 E225 Y230 F231 L232 F243 | I179-L228 HydrophobicContact CB-CD2 4.25Å; I179-L228 HydrophobicContact CG1-CD2 4.05Å; I179-L228 HydrophobicContact CG2-CD2 3.81Å; R182-L228 HydrophobicContact CB-CD1 4.17Å; F183-L228 HydrophobicContact CB-CD1 4.16Å; L221-L228 HydrophobicContact CD1-CB 4.07Å; L221-L228 HydrophobicContact CD1-CD1 4.24Å; L221-L228 HydrophobicContact CD2-CB 4.45Å; L221-L228 HydrophobicContact CG-CB 4.39Å; E225-L228 HydrophobicContact CB-CB 4.15Å; E225-L228 HydrophobicContact CB-CD1 3.96Å; E225-L228 HydrophobicContact CB-CG 4.01Å; E225-L228 HydrophobicContact CG-CD1 4.25Å; E225-L228 PolarHBondContact O-N 3.26Å; L228-Y230 VanDerWaalsContact C-N 3.27Å; L228-Y230 PolarHBondContact O-N 3.21Å; L228-F231 PolarHBondContact O-N 2.96Å; L228-L232 WeakPolarHBondContact O-CB 3.34Å; L228-L232 PolarHBondContact O-N 3.29Å; L228-F243 HydrophobicContact CB-CZ 4.4Å; L228-F243 HydrophobicContact CD1-CE1 4.41Å; L228-F243 HydrophobicContact CD1-CZ 4.49Å |
| 229 | A | 93 | Very high | 92.6 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -34.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y218 L221 A222 E225 Q226 V227 P233 | Y218-A229 HydrophobicContact CE2-CB 4.17Å; Y218-A229 PolarHBondContact OH-O 3.11Å; L221-A229 HydrophobicContact CG-CB 4.42Å; A222-A229 HydrophobicContact CB-CB 3.93Å; E225-A229 PolarHBondContact O-N 3.16Å; E225-A229 VanDerWaalsContact O-N 3.16Å; Q226-A229 PolarHBondContact O-N 3.26Å; V227-A229 VanDerWaalsContact C-N 3.34Å; A229-P233 WeakPolarHBondContact O-CD 3.35Å |
| 230 | Y | 92.4 | Very high | 92.7 | Very high | 142 Ų | 142 | 40.2 Ų | 40.2 | 56% | 0.557 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -69.8 | -42.9 | 174.3 | 176.5 | -103.6 | 0 | 0 | 0 | 113.2 | V166 Q226 V227 L228 L232 P233 | V166-Y230 HydrophobicContact CG2-CE1 4.35Å; Q226-Y230 PolarHBondContact O-N 3.22Å; V227-Y230 PolarHBondContact O-N 2.84Å; L228-Y230 VanDerWaalsContact C-N 3.27Å; L228-Y230 PolarHBondContact O-N 3.21Å; Y230-L232 PolarHBondContact O-N 3.24Å; Y230-P233 WeakPolarHBondContact O-CD 3.49Å |
| 231 | F | 93 | Very high | 92.8 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.3 | -29.5 | -178.7 | -64.2 | -32.8 | 0 | 0 | 0 | 113.8 | L158 M161 V166 I179 V227 L228 E234 A235 V239 | L158-F231 HydrophobicContact CB-CE2 4.48Å; L158-F231 HydrophobicContact CD2-CE2 3.82Å; M161-F231 HydrophobicContact SD-CE1 4.2Å; V166-F231 HydrophobicContact CG1-CB 4.42Å; V166-F231 HydrophobicContact CG1-CD1 3.6Å; V166-F231 HydrophobicContact CG1-CE1 4.25Å; V166-F231 HydrophobicContact CG1-CG 4.3Å; I179-F231 HydrophobicContact CD1-CD2 4.47Å; V227-F231 HydrophobicContact CG1-CD2 4Å; V227-F231 HydrophobicContact CG1-CE2 3.37Å; V227-F231 HydrophobicContact CG1-CZ 3.77Å; V227-F231 WeakPolarHBondContact O-CD2 3.49Å; V227-F231 WeakPolarHBondContact O-CG 3.33Å; V227-F231 PolarHBondContact O-N 2.89Å; V227-F231 VanDerWaalsContact O-N 3.11Å; L228-F231 PolarHBondContact O-N 2.96Å; F231-E234 PolarHBondContact O-N 3.39Å; F231-A235 PolarHBondContact O-N 3.48Å; F231-V239 HydrophobicContact CB-CG2 4.17Å |
| 232 | L | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | -174.1 | 174.3 | 69.1 | 0 | 0 | 0 | 113.5 | Y218 L221 L228 Y230 P236 V239 L240 F243 I269 L289 | Y218-L232 HydrophobicContact CD2-CD2 3.91Å; Y218-L232 HydrophobicContact CE2-CD2 4.11Å; L221-L232 HydrophobicContact CD2-CD2 4.03Å; L228-L232 WeakPolarHBondContact O-CB 3.34Å; L228-L232 PolarHBondContact O-N 3.29Å; Y230-L232 PolarHBondContact O-N 3.24Å; L232-P236 VanDerWaalsContact O-CA 3.25Å; L232-P236 WeakPolarHBondContact O-CA 3.28Å; L232-P236 WeakPolarHBondContact O-CB 3.43Å; L232-P236 WeakPolarHBondContact O-CD 3.36Å; L232-V239 HydrophobicContact CB-CG1 4.24Å; L232-V239 HydrophobicContact CD1-CB 4.36Å; L232-V239 HydrophobicContact CD1-CG1 3.86Å; L232-L240 HydrophobicContact CD1-CD2 3.96Å; L232-L240 HydrophobicContact CD1-CG 4.19Å; L232-F243 HydrophobicContact CD1-CE2 4.13Å; L232-F243 HydrophobicContact CD2-CE2 4.47Å; L232-I269 HydrophobicContact CD2-CD1 3.91Å; L232-I269 HydrophobicContact CD2-CG1 4.06Å; L232-I269 HydrophobicContact CD2-CG2 4.28Å; L232-L289 HydrophobicContact CD1-CD2 4.48Å; L232-L289 HydrophobicContact CD2-CD2 4.46Å; L232-L289 HydrophobicContact CG-CD2 4.12Å |
| 233 | P | 93.7 | Very high | 93.1 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 21% | 0.214 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.7 | -32.1 | 176 | -23.8 | 34.8 | 0 | 0 | 0 | 114.8 | Y218 A229 Y230 L272 Q288 L289 | Y218-P233 HydrophobicContact CE2-CG 4.22Å; A229-P233 WeakPolarHBondContact O-CD 3.35Å; Y230-P233 WeakPolarHBondContact O-CD 3.49Å; P233-L272 HydrophobicContact CG-CD1 4.3Å; P233-Q288 VanDerWaalsContact O-CA 3.29Å; P233-Q288 WeakPolarHBondContact O-CA 3.42Å; P233-Q288 WeakPolarHBondContact O-CB 3.19Å; P233-L289 PolarHBondContact O-N 3.18Å |
| 234 | E | 92.5 | Very high | 93.2 | Very high | 84 Ų | 84 | 39 Ų | 39 | 39% | 0.393 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -81.1 | -38.7 | -174.4 | -173.4 | 65.9 | -178.7 | 0 | 0 | 112.7 | V166 F231 P236 Q288 | V166-E234 HydrophobicContact CB-CG 3.85Å; V166-E234 HydrophobicContact CG1-CB 4.24Å; V166-E234 HydrophobicContact CG1-CG 4.07Å; V166-E234 HydrophobicContact CG2-CG 3.94Å; F231-E234 PolarHBondContact O-N 3.39Å; E234-P236 VanDerWaalsContact C-CD 3.49Å; E234-Q288 PolarHBondContact OE2-NE2 2.83Å |
| 235 | A | 92.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -132 | 57.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V166 V167 F231 Q237 H238 V239 | V166-A235 HydrophobicContact CG1-CB 4.07Å; V167-A235 HydrophobicContact CG2-CB 4.03Å; F231-A235 PolarHBondContact O-N 3.48Å; A235-Q237 VanDerWaalsContact C-N 3.31Å; A235-Q237 PolarHBondContact O-N 3.42Å; A235-H238 PolarHBondContact O-N 3.21Å; A235-V239 VanDerWaalsContact O-CG2 3.31Å; A235-V239 WeakPolarHBondContact O-CG2 3.43Å; A235-V239 PolarHBondContact O-N 2.7Å; A235-V239 VanDerWaalsContact O-N 3.15Å |
| 236 | P | 94.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -34 | -171.8 | 24.3 | -35.5 | 0 | 0 | 0 | 113.8 | L232 E234 H238 L240 N287 L289 V402 | L232-P236 VanDerWaalsContact O-CA 3.25Å; L232-P236 WeakPolarHBondContact O-CA 3.28Å; L232-P236 WeakPolarHBondContact O-CB 3.43Å; L232-P236 WeakPolarHBondContact O-CD 3.36Å; E234-P236 VanDerWaalsContact C-CD 3.49Å; P236-H238 PolarHBondContact O-N 3.18Å; P236-L240 HydrophobicContact CB-CD1 4.32Å; P236-L240 WeakPolarHBondContact O-CB 2.99Å; P236-L240 WeakPolarHBondContact O-CG 3.49Å; P236-L240 PolarHBondContact O-N 2.87Å; P236-N287 WeakPolarHBondContact CD-O 3.31Å; P236-N287 WeakPolarHBondContact CG-O 3.26Å; P236-L289 HydrophobicContact CB-CB 4.01Å; P236-L289 HydrophobicContact CB-CD1 4.1Å; P236-L289 HydrophobicContact CG-CB 4.14Å; P236-V402 HydrophobicContact CB-CG2 3.72Å; P236-V402 HydrophobicContact CG-CB 4.37Å; P236-V402 HydrophobicContact CG-CG1 3.92Å; P236-V402 HydrophobicContact CG-CG2 3.57Å |
| 237 | Q | 92.1 | Very high | 93.8 | Very high | 106 Ų | 106 | 30.3 Ų | 30.3 | 50% | 0.495 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | -175.8 | -175.3 | 175.7 | -4.2 | 0 | 0 | 112.1 | A235 E241 | A235-Q237 VanDerWaalsContact C-N 3.31Å; A235-Q237 PolarHBondContact O-N 3.42Å; Q237-E241 PolarHBondContact O-N 3.41Å |
| 238 | H | 93.3 | Very high | 93.9 | Very high | 43 Ų | 43 | 33.6 Ų | 33.6 | 20% | 0.199 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -82.4 | -39.6 | -179.9 | -59.2 | -45.2 | 0 | 0 | 0 | 111.8 | V170 Q171 A235 P236 E241 I242 | V170-H238 HydrophobicContact CG1-CB 3.85Å; Q171-H238 PolarHBondContact NE2-CE1 3.4Å; Q171-H238 PolarHBondContact NE2-NE2 3.18Å; A235-H238 PolarHBondContact O-N 3.21Å; P236-H238 PolarHBondContact O-N 3.18Å; H238-E241 WeakPolarHBondContact O-CB 3.39Å; H238-E241 PolarHBondContact O-N 2.89Å; H238-I242 VanDerWaalsContact O-CG1 3.29Å; H238-I242 WeakPolarHBondContact O-CG1 3.49Å; H238-I242 PolarHBondContact O-N 2.92Å; H238-I242 VanDerWaalsContact O-N 3.12Å |
| 239 | V | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 179.5 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | V170 F231 L232 A235 E241 I242 F243 | V170-V239 HydrophobicContact CG1-CG2 4.08Å; V170-V239 HydrophobicContact CG2-CG2 4.29Å; F231-V239 HydrophobicContact CB-CG2 4.17Å; L232-V239 HydrophobicContact CB-CG1 4.24Å; L232-V239 HydrophobicContact CD1-CB 4.36Å; L232-V239 HydrophobicContact CD1-CG1 3.86Å; A235-V239 VanDerWaalsContact O-CG2 3.31Å; A235-V239 WeakPolarHBondContact O-CG2 3.43Å; A235-V239 PolarHBondContact O-N 2.7Å; A235-V239 VanDerWaalsContact O-N 3.15Å; V239-E241 VanDerWaalsContact C-N 3.35Å; V239-E241 PolarHBondContact O-N 3.05Å; V239-I242 PolarHBondContact O-N 2.86Å; V239-F243 HydrophobicContact CG1-CD1 4.18Å; V239-F243 HydrophobicContact CG1-CD2 4.19Å; V239-F243 HydrophobicContact CG1-CE1 3.75Å; V239-F243 HydrophobicContact CG1-CE2 3.76Å; V239-F243 HydrophobicContact CG1-CG 4.39Å; V239-F243 HydrophobicContact CG1-CZ 3.52Å; V239-F243 WeakPolarHBondContact O-CD1 3.19Å; V239-F243 WeakPolarHBondContact O-CG 2.88Å; V239-F243 PolarHBondContact O-N 3.38Å |
| 240 | L | 94.8 | Very high | 94 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 9% | 0.094 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65 | -36.9 | 176.6 | -69.4 | 172.1 | 0 | 0 | 0 | 112.2 | L232 P236 I242 F243 D244 I269 N427 | L232-L240 HydrophobicContact CD1-CD2 3.96Å; L232-L240 HydrophobicContact CD1-CG 4.19Å; P236-L240 HydrophobicContact CB-CD1 4.32Å; P236-L240 WeakPolarHBondContact O-CB 2.99Å; P236-L240 WeakPolarHBondContact O-CG 3.49Å; P236-L240 PolarHBondContact O-N 2.87Å; L240-I242 VanDerWaalsContact C-N 3.31Å; L240-I242 PolarHBondContact O-N 2.11Å; L240-F243 PolarHBondContact O-N 2.63Å; L240-D244 WeakPolarHBondContact O-CB 3.32Å; L240-D244 VanDerWaalsContact O-CG 3.26Å; L240-D244 PolarHBondContact O-N 2.66Å; L240-I269 HydrophobicContact CD2-CD1 4.43Å; L240-I269 HydrophobicContact CD2-CG1 4Å; L240-N427 HydrophobicContact CD1-CB 4.42Å |
| 241 | E | 93.7 | Very high | 93.9 | Very high | 87 Ų | 87 | 29.3 Ų | 29.3 | 41% | 0.407 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60 | -42.4 | 173.9 | -172.1 | -172.3 | 147.5 | 0 | 0 | 111.4 | R176 Q237 H238 V239 D244 E245 | R176-E241 IonicContact CZ-OE1 3.4Å; R176-E241 IonicContact NH1-OE1 2.7Å; R176-E241 IonicContact NH2-OE1 3.58Å; R176-E241 PolarHBondContact NH2-OE1 2.95Å; Q237-E241 PolarHBondContact O-N 3.41Å; H238-E241 WeakPolarHBondContact O-CB 3.39Å; H238-E241 PolarHBondContact O-N 2.89Å; V239-E241 VanDerWaalsContact C-N 3.35Å; V239-E241 PolarHBondContact O-N 3.05Å; E241-D244 PolarHBondContact O-N 2.8Å; E241-E245 PolarHBondContact O-N 3.25Å; E241-E245 VanDerWaalsContact O-N 3.17Å |
| 242 | I | 95.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.3 | -40.7 | 176.9 | -61 | 164.7 | 0 | 0 | 0 | 111.1 | V170 R176 I179 K180 H238 V239 L240 E245 A246 | V170-I242 HydrophobicContact CG1-CD1 3.64Å; R176-I242 HydrophobicContact CB-CD1 4.31Å; R176-I242 HydrophobicContact CG-CD1 3.74Å; R176-I242 HydrophobicContact CG-CG1 3.8Å; I179-I242 HydrophobicContact CB-CG2 4.32Å; I179-I242 HydrophobicContact CD1-CD1 4.44Å; I179-I242 HydrophobicContact CG2-CB 4.39Å; I179-I242 HydrophobicContact CG2-CD1 4.26Å; I179-I242 HydrophobicContact CG2-CG2 3.77Å; K180-I242 HydrophobicContact CB-CG2 3.76Å; K180-I242 HydrophobicContact CG-CG2 4.35Å; H238-I242 VanDerWaalsContact O-CG1 3.29Å; H238-I242 WeakPolarHBondContact O-CG1 3.49Å; H238-I242 PolarHBondContact O-N 2.92Å; H238-I242 VanDerWaalsContact O-N 3.12Å; V239-I242 PolarHBondContact O-N 2.86Å; L240-I242 VanDerWaalsContact C-N 3.31Å; L240-I242 PolarHBondContact O-N 2.11Å; I242-E245 PolarHBondContact O-N 3.25Å; I242-A246 WeakPolarHBondContact O-CB 3.16Å; I242-A246 PolarHBondContact O-N 2.83Å |
| 243 | F | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 177.7 | -73.7 | 1.5 | 0 | 0 | 0 | 112 | I179 F183 L221 L228 L232 V239 L240 A246 A247 V267 | I179-F243 HydrophobicContact CG2-CE1 4.09Å; F183-F243 HydrophobicContact CB-CD1 4.05Å; F183-F243 HydrophobicContact CB-CE1 3.93Å; F183-F243 HydrophobicContact CD1-CB 4.38Å; F183-F243 AromaticContact CD1-CD1 3.93Å; F183-F243 HydrophobicContact CD1-CD1 3.93Å; F183-F243 HydrophobicContact CD1-CG 4.25Å; F183-F243 AromaticContact CD2-CD1 3.62Å; F183-F243 HydrophobicContact CD2-CD1 3.62Å; F183-F243 HydrophobicContact CD2-CD2 4.18Å; F183-F243 AromaticContact CD2-CE1 3.46Å; F183-F243 HydrophobicContact CD2-CE1 3.46Å; F183-F243 VanDerWaalsContact CD2-CE1 3.46Å; F183-F243 HydrophobicContact CD2-CE2 4.04Å; F183-F243 AromaticContact CD2-CG 3.98Å; F183-F243 HydrophobicContact CD2-CG 3.98Å; F183-F243 AromaticContact CD2-CZ 3.68Å; F183-F243 HydrophobicContact CD2-CZ 3.68Å; F183-F243 HydrophobicContact CE1-CB 3.85Å; F183-F243 HydrophobicContact CE1-CD1 4.16Å; F183-F243 AromaticContact CE1-CG 3.99Å; F183-F243 HydrophobicContact CE1-CG 3.99Å; F183-F243 HydrophobicContact CE2-CB 4.38Å; F183-F243 AromaticContact CE2-CD1 3.9Å; F183-F243 HydrophobicContact CE2-CD1 3.9Å; F183-F243 AromaticContact CE2-CD2 3.68Å; F183-F243 HydrophobicContact CE2-CD2 3.68Å; F183-F243 AromaticContact CE2-CE1 4Å; F183-F243 HydrophobicContact CE2-CE1 4Å; F183-F243 AromaticContact CE2-CE2 3.79Å; F183-F243 HydrophobicContact CE2-CE2 3.79Å; F183-F243 AromaticContact CE2-CG 3.74Å; F183-F243 HydrophobicContact CE2-CG 3.74Å; F183-F243 AromaticContact CE2-CZ 3.94Å; F183-F243 HydrophobicContact CE2-CZ 3.94Å; F183-F243 AromaticContact CG-CD1 3.59Å; F183-F243 HydrophobicContact CG-CD1 3.59Å; F183-F243 AromaticContact CG-CE1 3.72Å; F183-F243 HydrophobicContact CG-CE1 3.72Å; F183-F243 HydrophobicContact CG-CG 4.19Å; F183-F243 HydrophobicContact CG-CZ 4.4Å; F183-F243 HydrophobicContact CZ-CB 3.82Å; F183-F243 HydrophobicContact CZ-CD1 4.11Å; F183-F243 AromaticContact CZ-CD2 3.9Å; F183-F243 HydrophobicContact CZ-CD2 3.9Å; F183-F243 HydrophobicContact CZ-CE2 4.47Å; F183-F243 AromaticContact CZ-CG 3.7Å; F183-F243 HydrophobicContact CZ-CG 3.7Å; L221-F243 HydrophobicContact CD2-CE2 4.15Å; L221-F243 HydrophobicContact CD2-CZ 4.28Å; L228-F243 HydrophobicContact CB-CZ 4.4Å; L228-F243 HydrophobicContact CD1-CE1 4.41Å; L228-F243 HydrophobicContact CD1-CZ 4.49Å; L232-F243 HydrophobicContact CD1-CE2 4.13Å; L232-F243 HydrophobicContact CD2-CE2 4.47Å; V239-F243 HydrophobicContact CG1-CD1 4.18Å; V239-F243 HydrophobicContact CG1-CD2 4.19Å; V239-F243 HydrophobicContact CG1-CE1 3.75Å; V239-F243 HydrophobicContact CG1-CE2 3.76Å; V239-F243 HydrophobicContact CG1-CG 4.39Å; V239-F243 HydrophobicContact CG1-CZ 3.52Å; V239-F243 WeakPolarHBondContact O-CD1 3.19Å; V239-F243 WeakPolarHBondContact O-CG 2.88Å; V239-F243 PolarHBondContact O-N 3.38Å; L240-F243 PolarHBondContact O-N 2.63Å; F243-A246 PolarHBondContact O-N 2.83Å; F243-A247 VanDerWaalsContact O-CB 3.26Å; F243-A247 WeakPolarHBondContact O-CB 3.38Å; F243-A247 PolarHBondContact O-N 3.41Å; F243-V267 HydrophobicContact CB-CB 4.19Å; F243-V267 HydrophobicContact CB-CG1 4.41Å; F243-V267 HydrophobicContact CB-CG2 4.03Å; F243-V267 HydrophobicContact CD2-CG1 4.43Å |
| 244 | D | 95.2 | Very high | 93.6 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 175.3 | -76.1 | 4.2 | 0 | 0 | 0 | 111 | L240 E241 R248 V265 H266 V267 | L240-D244 WeakPolarHBondContact O-CB 3.32Å; L240-D244 VanDerWaalsContact O-CG 3.26Å; L240-D244 PolarHBondContact O-N 2.66Å; E241-D244 PolarHBondContact O-N 2.8Å; D244-R248 VanDerWaalsContact O-CB 3.32Å; D244-R248 WeakPolarHBondContact O-CB 3.42Å; D244-R248 PolarHBondContact O-N 3.11Å; D244-V265 WeakPolarHBondContact CA-O 3.38Å; D244-V265 VanDerWaalsContact CB-O 3.27Å; D244-V265 WeakPolarHBondContact CB-O 3.23Å; D244-V265 VanDerWaalsContact CG-O 3.29Å; D244-H266 WeakPolarHBondContact OD1-CA 3.4Å; D244-H266 IonicContact OD2-CE1 2.88Å; D244-H266 IonicContact OD2-CG 3.4Å; D244-H266 IonicContact OD2-ND1 2.76Å; D244-H266 PolarHBondContact OD2-ND1 2.69Å; D244-V267 PolarHBondContact OD1-N 3.39Å |
| 245 | E | 94.6 | Very high | 93.5 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 27% | 0.266 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 175 | -75.1 | -176.5 | -155.4 | 0 | 0 | 112.8 | R176 K180 E241 I242 R248 E249 | R176-E245 IonicContact CZ-OE1 3.33Å; R176-E245 IonicContact NH2-OE1 2.72Å; R176-E245 PolarHBondContact NH2-OE1 2.77Å; K180-E245 IonicContact NZ-OE2 3.06Å; K180-E245 PolarHBondContact NZ-OE2 2.99Å; E241-E245 PolarHBondContact O-N 3.25Å; E241-E245 VanDerWaalsContact O-N 3.17Å; I242-E245 PolarHBondContact O-N 3.25Å; E245-R248 PolarHBondContact O-N 2.9Å; E245-E249 WeakPolarHBondContact O-CG 3.25Å; E245-E249 PolarHBondContact O-N 3.17Å |
| 246 | A | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K180 F183 K184 I242 F243 R248 E249 V250 | K180-A246 HydrophobicContact CG-CB 3.96Å; F183-A246 HydrophobicContact CD1-CB 3.51Å; F183-A246 HydrophobicContact CE1-CB 4.13Å; K184-A246 HydrophobicContact CG-CB 4.02Å; I242-A246 WeakPolarHBondContact O-CB 3.16Å; I242-A246 PolarHBondContact O-N 2.83Å; F243-A246 PolarHBondContact O-N 2.83Å; A246-R248 VanDerWaalsContact C-N 3.31Å; A246-R248 PolarHBondContact O-N 3.09Å; A246-E249 PolarHBondContact O-N 2.84Å; A246-V250 WeakPolarHBondContact O-CG2 3.33Å; A246-V250 PolarHBondContact O-N 3.46Å |
| 247 | A | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L187 L214 F243 V250 T251 V265 V267 | L187-A247 HydrophobicContact CD1-CB 4.43Å; L214-A247 HydrophobicContact CD2-CB 3.95Å; F243-A247 VanDerWaalsContact O-CB 3.26Å; F243-A247 WeakPolarHBondContact O-CB 3.38Å; F243-A247 PolarHBondContact O-N 3.41Å; A247-V250 PolarHBondContact O-N 3.02Å; A247-T251 WeakPolarHBondContact O-CB 3.47Å; A247-T251 PolarHBondContact O-N 3.18Å; A247-T251 PolarHBondContact O-OG1 2.96Å; A247-V265 HydrophobicContact CB-CG1 4.19Å; A247-V267 HydrophobicContact CB-CG2 3.71Å |
| 248 | R | 93.6 | Very high | 93 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 32% | 0.317 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.6 | -47.5 | 173.8 | -172.2 | -172.4 | 70.6 | 93.6 | 4.6 | 111.5 | D244 E245 A246 T251 L252 N263 V265 | D244-R248 VanDerWaalsContact O-CB 3.32Å; D244-R248 WeakPolarHBondContact O-CB 3.42Å; D244-R248 PolarHBondContact O-N 3.11Å; E245-R248 PolarHBondContact O-N 2.9Å; A246-R248 VanDerWaalsContact C-N 3.31Å; A246-R248 PolarHBondContact O-N 3.09Å; R248-T251 PolarHBondContact O-N 3.12Å; R248-L252 HydrophobicContact CG-CD1 3.99Å; R248-L252 HydrophobicContact CG-CG 4.47Å; R248-L252 WeakPolarHBondContact O-CB 3.36Å; R248-L252 VanDerWaalsContact O-CG 3.29Å; R248-L252 WeakPolarHBondContact O-CG 3.37Å; R248-L252 PolarHBondContact O-N 2.84Å; R248-N263 WeakPolarHBondContact CD-O 3.31Å; R248-V265 HydrophobicContact CB-CB 4.49Å; R248-V265 HydrophobicContact CB-CG2 4.45Å |
| 249 | E | 93.9 | Very high | 92.8 | Very high | 54 Ų | 54 | 51 Ų | 51 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -40.5 | -179.7 | -75.2 | 176.6 | -161.6 | 0 | 0 | 112.9 | K180 K184 E245 A246 L252 T253 | K180-E249 VanDerWaalsContact CE-CD 3.41Å; K180-E249 WeakPolarHBondContact CE-OE1 3.15Å; K180-E249 VanDerWaalsContact CE-OE2 3.25Å; K180-E249 WeakPolarHBondContact CE-OE2 3Å; K180-E249 IonicContact NZ-OE1 3.92Å; K180-E249 PolarHBondContact NZ-OE1 3.41Å; K180-E249 IonicContact NZ-OE2 3.51Å; K184-E249 WeakPolarHBondContact CE-OE2 3.25Å; K184-E249 IonicContact NZ-OE2 2.63Å; K184-E249 PolarHBondContact NZ-OE2 2.84Å; E245-E249 WeakPolarHBondContact O-CG 3.25Å; E245-E249 PolarHBondContact O-N 3.17Å; A246-E249 PolarHBondContact O-N 2.84Å; E249-L252 PolarHBondContact O-N 3.25Å; E249-T253 PolarHBondContact O-N 2.91Å; E249-T253 PolarHBondContact O-OG1 3.5Å |
| 250 | V | 93.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 174.6 | 176.9 | 0 | 0 | 0 | 0 | 111 | K184 L187 I203 A246 A247 T253 R254 | K184-V250 HydrophobicContact CB-CG2 4.11Å; K184-V250 HydrophobicContact CG-CG2 3.85Å; L187-V250 HydrophobicContact CD1-CB 4.39Å; L187-V250 HydrophobicContact CD1-CG2 4.14Å; I203-V250 HydrophobicContact CD1-CG1 3.89Å; A246-V250 WeakPolarHBondContact O-CG2 3.33Å; A246-V250 PolarHBondContact O-N 3.46Å; A247-V250 PolarHBondContact O-N 3.02Å; V250-T253 PolarHBondContact O-N 2.8Å; V250-R254 PolarHBondContact O-N 3.49Å |
| 251 | T | 92.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 178 | -56 | 0 | 0 | 0 | 0 | 111.4 | I203 M206 A247 R248 T253 R254 F255 Y258 | I203-T251 HydrophobicContact CG2-CG2 4.18Å; M206-T251 HydrophobicContact CE-CG2 3.86Å; A247-T251 WeakPolarHBondContact O-CB 3.47Å; A247-T251 PolarHBondContact O-N 3.18Å; A247-T251 PolarHBondContact O-OG1 2.96Å; R248-T251 PolarHBondContact O-N 3.12Å; T251-T253 VanDerWaalsContact C-N 3.33Å; T251-T253 PolarHBondContact O-N 2.86Å; T251-R254 PolarHBondContact O-N 3.25Å; T251-F255 PolarHBondContact O-N 3.22Å; T251-Y258 HydrophobicContact CG2-CD1 3.85Å; T251-Y258 HydrophobicContact CG2-CD2 4.49Å; T251-Y258 HydrophobicContact CG2-CE1 4.21Å; T251-Y258 HydrophobicContact CG2-CG 4.03Å |
| 252 | L | 92 | Very high | 91.7 | Very high | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.199 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.1 | -32 | 177.7 | -72 | 173 | 0 | 0 | 0 | 113.1 | R248 E249 R254 F255 P256 D259 | R248-L252 HydrophobicContact CG-CD1 3.99Å; R248-L252 HydrophobicContact CG-CG 4.47Å; R248-L252 WeakPolarHBondContact O-CB 3.36Å; R248-L252 VanDerWaalsContact O-CG 3.29Å; R248-L252 WeakPolarHBondContact O-CG 3.37Å; R248-L252 PolarHBondContact O-N 2.84Å; E249-L252 PolarHBondContact O-N 3.25Å; L252-R254 VanDerWaalsContact C-N 3.28Å; L252-R254 PolarHBondContact O-N 2.92Å; L252-F255 CarbonylContact O-C 3.29Å; L252-P256 WeakPolarHBondContact O-CA 3.43Å; L252-D259 HydrophobicContact CD2-CB 3.94Å |
| 253 | T | 92.1 | Very high | 91.2 | Very high | 94 Ų | 94 | 67 Ų | 67 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.6 | -39.8 | 174.6 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | E249 V250 T251 | E249-T253 PolarHBondContact O-N 2.91Å; E249-T253 PolarHBondContact O-OG1 3.5Å; V250-T253 PolarHBondContact O-N 2.8Å; T251-T253 VanDerWaalsContact C-N 3.33Å; T251-T253 PolarHBondContact O-N 2.86Å |
| 254 | R | 88.5 | Confident | 90.8 | Very high | 110 Ų | 110 | 72.1 Ų | 72.1 | 42% | 0.415 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -81 | -40.2 | 177.5 | -69.4 | -169.8 | 172.9 | -154.1 | -2.6 | 113.1 | A200 V250 T251 L252 | A200-R254 PolarHBondContact O-NH1 3.43Å; V250-R254 PolarHBondContact O-N 3.49Å; T251-R254 PolarHBondContact O-N 3.25Å; L252-R254 VanDerWaalsContact C-N 3.28Å; L252-R254 PolarHBondContact O-N 2.92Å |
| 255 | F | 90.6 | Very high | 90.7 | Very high | 78 Ų | 78 | 70.6 Ų | 70.6 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | trans | -127.7 | 85.9 | -176.8 | -61.5 | -73.4 | 0 | 0 | 0 | 110.7 | V204 A207 T251 L252 R257 Y258 | V204-F255 HydrophobicContact CG2-CE2 4.17Å; V204-F255 HydrophobicContact CG2-CZ 4.15Å; A207-F255 HydrophobicContact CB-CD2 3.97Å; A207-F255 HydrophobicContact CB-CE2 3.92Å; A207-F255 HydrophobicContact CB-CZ 4.49Å; T251-F255 PolarHBondContact O-N 3.22Å; L252-F255 CarbonylContact O-C 3.29Å; F255-R257 PolarHBondContact O-N 3.12Å; F255-Y258 VanDerWaalsContact O-CB 3.23Å; F255-Y258 WeakPolarHBondContact O-CB 3.27Å; F255-Y258 PolarHBondContact O-N 3.48Å | ||
| 256 | P | 90.1 | Very high | 90.7 | Very high | 103 Ų | 103 | 69.3 Ų | 69.3 | 67% | 0.669 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.1 | -177.9 | -26.9 | 35.1 | 0 | 0 | 0 | 114.3 | L252 | L252-P256 WeakPolarHBondContact O-CA 3.43Š|
| 257 | R | 89.9 | Confident | 90.7 | Very high | 204 Ų | 204 | 69.3 Ų | 69.3 | 77% | 0.77 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.5 | -179.7 | -65.4 | -176.8 | 179.5 | 169.3 | 1.2 | 114.1 | F255 D259 R260 | F255-R257 PolarHBondContact O-N 3.12Å; R257-D259 PolarHBondContact O-N 3.47Å; R257-R260 PolarHBondContact O-N 3.3Å |
| 258 | Y | 89.7 | Confident | 90.7 | Very high | 10 Ų | 10 | 69.9 Ų | 69.9 | 4% | 0.039 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -63.7 | -27.1 | -176.3 | -168.8 | -98.3 | 0 | 0 | 0 | 113.2 | A207 K211 T251 F255 R260 I261 T262 V265 | A207-Y258 HydrophobicContact CB-CD2 4.26Å; A207-Y258 HydrophobicContact CB-CE2 4.22Å; K211-Y258 PolarHBondContact O-OH 2.81Å; T251-Y258 HydrophobicContact CG2-CD1 3.85Å; T251-Y258 HydrophobicContact CG2-CD2 4.49Å; T251-Y258 HydrophobicContact CG2-CE1 4.21Å; T251-Y258 HydrophobicContact CG2-CG 4.03Å; F255-Y258 VanDerWaalsContact O-CB 3.23Å; F255-Y258 WeakPolarHBondContact O-CB 3.27Å; F255-Y258 PolarHBondContact O-N 3.48Å; Y258-R260 PolarHBondContact O-N 3.13Å; Y258-I261 HydrophobicContact CD2-CD1 4.05Å; Y258-I261 HydrophobicContact CE2-CD1 4.25Å; Y258-I261 PolarHBondContact O-N 2.9Å; Y258-T262 WeakPolarHBondContact CE1-OG1 3.25Å; Y258-T262 PolarHBondContact O-N 2.89Å; Y258-T262 PolarHBondContact OH-OG1 3.06Å; Y258-V265 HydrophobicContact CE1-CG2 4.02Å |
| 259 | D | 88 | Confident | 90.8 | Very high | 92 Ų | 92 | 65.9 Ų | 65.9 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -57.4 | -22.9 | 177.7 | -165.7 | 52.7 | 0 | 0 | 0 | 114 | L252 R257 I261 | L252-D259 HydrophobicContact CD2-CB 3.94Å; R257-D259 PolarHBondContact O-N 3.47Å; D259-I261 VanDerWaalsContact C-N 3.32Å |
| 260 | R | 89 | Confident | 90.7 | Very high | 220 Ų | 220 | 64.9 Ų | 64.9 | 83% | 0.83 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -75.2 | -19.9 | 176.8 | -63.9 | -176.6 | -179.8 | -176.2 | -0.9 | 113.8 | R257 Y258 | R257-R260 PolarHBondContact O-N 3.3Å; Y258-R260 PolarHBondContact O-N 3.13Å |
| 261 | I | 86.8 | Confident | 90.4 | Very high | 85 Ų | 85 | 67.6 Ų | 67.6 | 44% | 0.436 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -58.3 | -176.2 | -59.1 | 162.4 | 0 | 0 | 0 | 108.8 | N210 Y258 D259 | N210-I261 HydrophobicContact CB-CG2 4.09Å; N210-I261 WeakPolarHBondContact OD1-CD1 3.29Å; Y258-I261 HydrophobicContact CD2-CD1 4.05Å; Y258-I261 HydrophobicContact CE2-CD1 4.25Å; Y258-I261 PolarHBondContact O-N 2.9Å; D259-I261 VanDerWaalsContact C-N 3.32Å |
| 262 | T | 84.3 | Confident | 90.3 | Very high | 34 Ų | 34 | 68 Ų | 68 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | trans | -144.1 | 133.9 | 178.1 | 51.6 | 0 | 0 | 0 | 0 | 110.1 | H212 Y258 R264 | H212-T262 HydrophobicContact CB-CG2 4.11Å; Y258-T262 WeakPolarHBondContact CE1-OG1 3.25Å; Y258-T262 PolarHBondContact O-N 2.89Å; Y258-T262 PolarHBondContact OH-OG1 3.06Å; T262-R264 VanDerWaalsContact C-N 3.32Å | ||
| 263 | N | 85.1 | Confident | 90.2 | Very high | 107 Ų | 107 | 70.4 Ų | 70.4 | 57% | 0.572 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -83.1 | -8 | 178.2 | 62.2 | -17.1 | 0 | 0 | 0 | 113.7 | R248 | R248-N263 WeakPolarHBondContact CD-O 3.31Š|
| 264 | R | 88.3 | Confident | 90.2 | Very high | 106 Ų | 106 | 70.9 Ų | 70.9 | 40% | 0.4 | 34% | 0.335 | S | S | . | . | trans | -128.6 | 143.9 | -176.5 | -66.5 | 178.7 | -178.9 | -170.1 | -1.7 | 109.8 | H212 T262 | H212-R264 WeakPolarHBondContact CB-O 3.41Å; T262-R264 VanDerWaalsContact C-N 3.32Å | ||
| 265 | V | 92.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | trans | -128.6 | 126.9 | 171.8 | 178.2 | 0 | 0 | 0 | 0 | 106.3 | M206 H212 L214 D244 A247 R248 Y258 | M206-V265 HydrophobicContact CE-CG1 4.09Å; M206-V265 HydrophobicContact CE-CG2 4.45Å; M206-V265 HydrophobicContact SD-CG1 4.01Å; H212-V265 CarbonylContact O-C 3.35Å; H212-V265 WeakPolarHBondContact O-CA 3.33Å; L214-V265 HydrophobicContact CB-CG1 4.35Å; D244-V265 WeakPolarHBondContact CA-O 3.38Å; D244-V265 VanDerWaalsContact CB-O 3.27Å; D244-V265 WeakPolarHBondContact CB-O 3.23Å; D244-V265 VanDerWaalsContact CG-O 3.29Å; A247-V265 HydrophobicContact CB-CG1 4.19Å; R248-V265 HydrophobicContact CB-CB 4.49Å; R248-V265 HydrophobicContact CB-CG2 4.45Å; Y258-V265 HydrophobicContact CE1-CG2 4.02Å | ||
| 266 | H | 94.5 | Very high | 90.5 | Very high | 29 Ų | 29 | 66.9 Ų | 66.9 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.6 | -179.4 | -68.4 | -53.2 | 0 | 0 | 0 | 111 | H212 S213 L214 D244 D385 | H212-H266 AromaticContact CD2-CD2 3.86Å; H212-H266 PolarHBondContact O-N 3.43Å; S213-H266 WeakPolarHBondContact CA-O 3.37Å; L214-H266 PolarHBondContact N-O 3.39Å; D244-H266 WeakPolarHBondContact OD1-CA 3.4Å; D244-H266 IonicContact OD2-CE1 2.88Å; D244-H266 IonicContact OD2-CG 3.4Å; D244-H266 IonicContact OD2-ND1 2.76Å; D244-H266 PolarHBondContact OD2-ND1 2.69Å; H266-D385 IonicContact NE2-OD2 3.69Å |
| 267 | V | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 117.1 | 178.3 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | F183 L214 I216 F243 D244 A247 I269 N427 | F183-V267 HydrophobicContact CZ-CG1 4.32Å; F183-V267 HydrophobicContact CZ-CG2 4.34Å; L214-V267 WeakPolarHBondContact O-CA 3.43Å; I216-V267 HydrophobicContact CB-CG1 4.34Å; I216-V267 HydrophobicContact CD1-CG1 3.45Å; I216-V267 VanDerWaalsContact CD1-CG1 3.45Å; I216-V267 HydrophobicContact CG1-CG1 3.91Å; F243-V267 HydrophobicContact CB-CB 4.19Å; F243-V267 HydrophobicContact CB-CG1 4.41Å; F243-V267 HydrophobicContact CB-CG2 4.03Å; F243-V267 HydrophobicContact CD2-CG1 4.43Å; D244-V267 PolarHBondContact OD1-N 3.39Å; A247-V267 HydrophobicContact CB-CG2 3.71Å; V267-I269 HydrophobicContact CG1-CD1 3.99Å; V267-N427 PolarHBondContact O-ND2 3.18Å; V267-N427 VanDerWaalsContact O-ND2 3.16Å; V267-N427 PolarHBondContact O-OD1 2.82Å; V267-N427 VanDerWaalsContact O-OD1 3.13Å |
| 268 | R | 95.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 5% | 0.045 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.6 | -177.2 | -54.7 | -64.4 | 175.5 | -150 | 2.8 | 109.1 | L214 H215 I216 D386 N427 N428 | L214-R268 PolarHBondContact O-N 3.49Å; H215-R268 CarbonylContact C-O 3.6Å; H215-R268 WeakPolarHBondContact CA-O 3.4Å; I216-R268 PolarHBondContact N-O 3.44Å; R268-D386 IonicContact CZ-OD1 3.49Å; R268-D386 IonicContact NE-OD1 3.52Å; R268-D386 IonicContact NE-OD2 2.7Å; R268-D386 IonicContact NH2-OD1 3.3Å; R268-D386 PolarHBondContact NH2-OD1 3.4Å; R268-D386 IonicContact NH2-OD2 3.25Å; R268-N427 WeakPolarHBondContact CD-O 3.46Å; R268-N427 PolarHBondContact NE-O 2.79Å; R268-N427 PolarHBondContact NH1-O 2.85Å; R268-N427 PolarHBondContact NH1-OD1 2.79Å; R268-N428 HydrophobicContact CB-CB 4.23Å |
| 269 | I | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.7 | -178.5 | -54.5 | -62.6 | 0 | 0 | 0 | 110.3 | I216 Y218 L232 L240 V267 N427 N428 | I216-I269 HydrophobicContact CB-CD1 4.34Å; Y218-I269 HydrophobicContact CD2-CG2 4.49Å; L232-I269 HydrophobicContact CD2-CD1 3.91Å; L232-I269 HydrophobicContact CD2-CG1 4.06Å; L232-I269 HydrophobicContact CD2-CG2 4.28Å; L240-I269 HydrophobicContact CD2-CD1 4.43Å; L240-I269 HydrophobicContact CD2-CG1 4Å; V267-I269 HydrophobicContact CG1-CD1 3.99Å; I269-N427 PolarHBondContact N-ND2 3.23Å; I269-N428 WeakPolarHBondContact O-CB 3.5Å; I269-N428 PolarHBondContact O-ND2 3.26Å |
| 270 | N | 91.5 | Very high | 91.2 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 155 | 173.8 | -64.3 | -3.6 | 0 | 0 | 0 | 110.2 | H215 I216 Y218 L272 N428 | H215-N270 PolarHBondContact ND1-OD1 3.27Å; I216-N270 PolarHBondContact O-N 3.36Å; Y218-N270 WeakPolarHBondContact CB-O 3.29Å; Y218-N270 PolarHBondContact N-O 3.41Å; N270-L272 PolarHBondContact O-N 3.11Å; N270-N428 PolarHBondContact OD1-ND2 3.35Å |
| 271 | D | 87 | Confident | 91.4 | Very high | 62 Ų | 62 | 45.5 Ų | 45.5 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | trans | 55 | 43.1 | 164.7 | -63.4 | -55.3 | 0 | 0 | 0 | 117.7 | R291 | D271-R291 IonicContact OD1-NH1 2.95Š| ||
| 272 | L | 90.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | trans | -60.8 | 119.6 | 170.1 | -172.2 | 74.1 | 0 | 0 | 0 | 110.6 | Y218 P233 N270 L274 L289 R291 | Y218-L272 HydrophobicContact CD1-CD1 4.44Å; Y218-L272 HydrophobicContact CD2-CD1 3.66Å; Y218-L272 HydrophobicContact CE1-CD1 4.48Å; Y218-L272 HydrophobicContact CE2-CD1 3.7Å; Y218-L272 HydrophobicContact CG-CD1 4.03Å; P233-L272 HydrophobicContact CG-CD1 4.3Å; N270-L272 PolarHBondContact O-N 3.11Å; L272-L274 PolarHBondContact O-N 3.35Å; L272-L289 HydrophobicContact CD1-CD2 4.43Å; L272-L289 HydrophobicContact CD2-CD2 4.49Å; L272-L289 HydrophobicContact CD2-CG 4.45Å; L272-R291 HydrophobicContact CB-CB 4.16Å; L272-R291 HydrophobicContact CD2-CB 4.13Å; L272-R291 WeakPolarHBondContact O-CD 3.44Å; L272-R291 PolarHBondContact O-NE 3.03Å; L272-R291 PolarHBondContact O-NH2 3.36Å | ||
| 273 | P | 90.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -56.5 | -33.1 | -165.9 | 19.4 | -33.4 | 0 | 0 | 0 | 114.7 | Y218 R291 | Y218-P273 HydrophobicContact CD1-CG 4.08Å; Y218-P273 VanDerWaalsContact CE1-CD 3.48Å; Y218-P273 HydrophobicContact CE1-CG 3.83Å; P273-R291 PolarHBondContact O-NH2 2.94Å |
| 274 | L | 91.9 | Very high | 92.4 | Very high | 105 Ų | 105 | 55 Ų | 55 | 55% | 0.55 | 27% | 0.267 | S | S | . | . | trans | -82.3 | 122.7 | 178.8 | -173.5 | 63.1 | 0 | 0 | 0 | 111.3 | L272 E276 R291 | L272-L274 PolarHBondContact O-N 3.35Å; L274-E276 HydrophobicContact CD2-CG 4.19Å; L274-E276 WeakPolarHBondContact CD2-OE1 3.49Å; L274-E276 HydrophobicContact CG-CG 4.1Å; L274-R291 WeakPolarHBondContact O-CB 3.48Å | ||
| 275 | I | 91.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 51.1 Ų | 51.1 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | trans | -105.3 | 123 | 168.4 | -59.3 | 171.1 | 0 | 0 | 0 | 108.1 | R291 | I275-R291 VanDerWaalsContact CG1-CZ 3.41Å; I275-R291 VanDerWaalsContact CG1-NE 3.32Å | ||
| 276 | E | 93.2 | Very high | 92.7 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -105.7 | 141.2 | 175.5 | -64.1 | -171.8 | -174.9 | 0 | 0 | 111.6 | L274 L281 H285 R291 T292 | L274-E276 HydrophobicContact CD2-CG 4.19Å; L274-E276 WeakPolarHBondContact CD2-OE1 3.49Å; L274-E276 HydrophobicContact CG-CG 4.1Å; E276-L281 VanDerWaalsContact OE2-CD2 3.29Å; E276-L281 WeakPolarHBondContact OE2-CD2 3.42Å; E276-H285 IonicContact OE1-CD2 3.69Å; E276-H285 PolarHBondContact OE1-CD2 3.33Å; E276-H285 IonicContact OE1-NE2 3.64Å; E276-H285 PolarHBondContact OE1-NE2 3.42Å; E276-H285 IonicContact OE2-CD2 3.04Å; E276-H285 PolarHBondContact OE2-CD2 3.2Å; E276-H285 IonicContact OE2-CE1 3.31Å; E276-H285 IonicContact OE2-CG 2.83Å; E276-H285 IonicContact OE2-NE2 3.05Å; E276-H285 PolarHBondContact OE2-NE2 3.28Å; E276-R291 PolarHBondContact N-O 3.01Å; E276-T292 HydrophobicContact CB-CG2 4.24Å; E276-T292 WeakPolarHBondContact O-CA 3.49Å; E276-T292 WeakPolarHBondContact O-CG2 3.38Å |
| 277 | D | 92.7 | Very high | 92.5 | Very high | 65 Ų | 65 | 56 Ų | 56 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | trans | -82.2 | 144.4 | 170.5 | -64 | -40.6 | 0 | 0 | 0 | 110.1 | R279 C280 K369 | D277-R279 PolarHBondContact O-N 3.27Å; D277-C280 WeakPolarHBondContact O-CB 3.45Å; D277-C280 PolarHBondContact O-N 2.95Å; D277-K369 IonicContact OD1-NZ 3.89Å; D277-K369 PolarHBondContact OD1-NZ 3.13Å | ||
| 278 | L | 92.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.8 | -178.8 | -82.4 | 78.2 | 0 | 0 | 0 | 113.3 | C280 C293 L363 E365 K379 | L278-C280 VanDerWaalsContact C-N 3.31Å; L278-C280 PolarHBondContact O-N 2.74Å; L278-C293 WeakPolarHBondContact CD1-O 3.16Å; L278-L363 HydrophobicContact CD1-CD2 4.06Å; L278-L363 HydrophobicContact CD1-CG 4.44Å; L278-L363 HydrophobicContact CD2-CB 4.27Å; L278-L363 HydrophobicContact CD2-CD2 4.23Å; L278-L363 HydrophobicContact CD2-CG 4.07Å; L278-L363 WeakPolarHBondContact CD2-O 3.28Å; L278-E365 HydrophobicContact CB-CG 3.82Å; L278-K379 HydrophobicContact CD2-CB 4.08Å; L278-K379 HydrophobicContact CD2-CG 4.23Å |
| 279 | R | 92.6 | Very high | 92.5 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -30.2 | 177.4 | -165.4 | 167.4 | -64.9 | -97.3 | -5.1 | 113.7 | D277 L281 R282 E365 L375 | D277-R279 PolarHBondContact O-N 3.27Å; R279-L281 VanDerWaalsContact C-N 3.35Å; R279-R282 PolarHBondContact O-NH1 3.17Å; R279-R282 PolarHBondContact O-NH2 3.46Å; R279-E365 VanDerWaalsContact CB-OE1 3.26Å; R279-E365 WeakPolarHBondContact CB-OE1 3.4Å; R279-E365 IonicContact CZ-OE1 3.82Å; R279-E365 IonicContact CZ-OE2 3.56Å; R279-E365 PolarHBondContact N-OE1 3.46Å; R279-E365 IonicContact NE-OE1 3.5Å; R279-E365 IonicContact NE-OE2 3.41Å; R279-E365 PolarHBondContact NE-OE2 3.46Å; R279-E365 IonicContact NH2-OE1 3.54Å; R279-E365 IonicContact NH2-OE2 2.82Å; R279-E365 PolarHBondContact NH2-OE2 3.2Å; R279-L375 PolarHBondContact NH2-O 3.48Å |
| 280 | C | 92.9 | Very high | 92.5 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 47% | 0.466 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -14.1 | -172.3 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | D277 L278 R282 H285 | D277-C280 WeakPolarHBondContact O-CB 3.45Å; D277-C280 PolarHBondContact O-N 2.95Å; L278-C280 VanDerWaalsContact C-N 3.31Å; L278-C280 PolarHBondContact O-N 2.74Å; C280-R282 WeakPolarHBondContact O-CG 3.35Å; C280-R282 PolarHBondContact O-N 2.88Å; C280-H285 PolarHBondContact O-CE1 3.3Å |
| 281 | L | 93.7 | Very high | 92.7 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | trans | -57.8 | 125.2 | 175.3 | -60.6 | 178 | 0 | 0 | 0 | 111.5 | E276 R279 I290 T292 K379 Y403 I424 | E276-L281 VanDerWaalsContact OE2-CD2 3.29Å; E276-L281 WeakPolarHBondContact OE2-CD2 3.42Å; R279-L281 VanDerWaalsContact C-N 3.35Å; L281-I290 HydrophobicContact CD1-CD1 4.07Å; L281-I290 HydrophobicContact CD2-CD1 3.65Å; L281-I290 HydrophobicContact CD2-CG2 4.43Å; L281-T292 HydrophobicContact CD1-CG2 4.44Å; L281-T292 HydrophobicContact CD2-CG2 4.37Å; L281-K379 HydrophobicContact CD1-CG 4.41Å; L281-Y403 HydrophobicContact CB-CE2 4.5Å; L281-Y403 HydrophobicContact CD1-CD2 4.35Å; L281-Y403 HydrophobicContact CD1-CE2 4.18Å; L281-I424 HydrophobicContact CD1-CD1 4.28Å | ||
| 282 | R | 93 | Very high | 93 | Very high | 126 Ų | 126 | 54 Ų | 54 | 48% | 0.475 | 27% | 0.268 | S | S | . | . | trans | -142.8 | 176.8 | -174.8 | -69.1 | -64.1 | -179 | -81.7 | -10.6 | 109.8 | R279 C280 F284 H285 | R279-R282 PolarHBondContact O-NH1 3.17Å; R279-R282 PolarHBondContact O-NH2 3.46Å; C280-R282 WeakPolarHBondContact O-CG 3.35Å; C280-R282 PolarHBondContact O-N 2.88Å; R282-F284 PolarHBondContact O-N 3.44Å; R282-F284 VanDerWaalsContact O-N 3.15Å; R282-H285 PolarHBondContact N-ND1 3.16Å; R282-H285 VanDerWaalsContact N-ND1 3.19Å; R282-H285 PolarHBondContact O-N 2.85Å; R282-H285 VanDerWaalsContact O-N 3.12Å; R282-H285 PolarHBondContact O-ND1 3.07Å | ||
| 283 | H | 92.1 | Very high | 93.2 | Very high | 156 Ų | 156 | 54.1 Ų | 54.1 | 72% | 0.722 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -57.8 | -25.5 | 179.4 | 67.1 | -88.4 | 0 | 0 | 0 | 114 | H285 L286 | H283-H285 VanDerWaalsContact C-N 3.26Å; H283-H285 PolarHBondContact O-N 3.47Å; H283-L286 HydrophobicContact CB-CD1 4.09Å; H283-L286 WeakPolarHBondContact O-CB 3.35Å; H283-L286 WeakPolarHBondContact O-CD1 3.16Å; H283-L286 VanDerWaalsContact O-CG 3.27Å; H283-L286 WeakPolarHBondContact O-CG 3.49Å; H283-L286 PolarHBondContact O-N 3.34Å |
| 284 | F | 92.8 | Very high | 93.3 | Very high | 142 Ų | 142 | 50 Ų | 50 | 62% | 0.623 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -61.1 | -33.7 | 176.4 | -178.1 | -100.4 | 0 | 0 | 0 | 113.1 | R282 L286 Q288 | R282-F284 PolarHBondContact O-N 3.44Å; R282-F284 VanDerWaalsContact O-N 3.15Å; F284-L286 PolarHBondContact O-N 3.17Å; F284-Q288 PolarHBondContact O-OE1 3.15Å |
| 285 | H | 93.4 | Very high | 93.5 | Very high | 26 Ų | 26 | 46.2 Ų | 46.2 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -85.5 | 5.1 | -176.9 | -45.7 | 87 | 0 | 0 | 0 | 112.5 | E276 C280 R282 H283 N287 Q288 I290 Y403 | E276-H285 IonicContact OE1-CD2 3.69Å; E276-H285 PolarHBondContact OE1-CD2 3.33Å; E276-H285 IonicContact OE1-NE2 3.64Å; E276-H285 PolarHBondContact OE1-NE2 3.42Å; E276-H285 IonicContact OE2-CD2 3.04Å; E276-H285 PolarHBondContact OE2-CD2 3.2Å; E276-H285 IonicContact OE2-CE1 3.31Å; E276-H285 IonicContact OE2-CG 2.83Å; E276-H285 IonicContact OE2-NE2 3.05Å; E276-H285 PolarHBondContact OE2-NE2 3.28Å; C280-H285 PolarHBondContact O-CE1 3.3Å; R282-H285 PolarHBondContact N-ND1 3.16Å; R282-H285 VanDerWaalsContact N-ND1 3.19Å; R282-H285 PolarHBondContact O-N 2.85Å; R282-H285 VanDerWaalsContact O-N 3.12Å; R282-H285 PolarHBondContact O-ND1 3.07Å; H283-H285 VanDerWaalsContact C-N 3.26Å; H283-H285 PolarHBondContact O-N 3.47Å; H285-N287 PolarHBondContact O-N 3.24Å; H285-Q288 PolarHBondContact O-N 3.11Å; H285-I290 HydrophobicContact CB-CG2 4.14Å; H285-Y403 HydrophobicContact CB-CD1 4.21Å; H285-Y403 WeakPolarHBondContact O-CB 3.31Å |
| 286 | L | 92.6 | Very high | 93.7 | Very high | 55 Ų | 55 | 42.5 Ų | 42.5 | 29% | 0.288 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 131.6 | -178 | -73.8 | 171.3 | 0 | 0 | 0 | 110.3 | H283 F284 Q288 Y403 H405 | H283-L286 HydrophobicContact CB-CD1 4.09Å; H283-L286 WeakPolarHBondContact O-CB 3.35Å; H283-L286 WeakPolarHBondContact O-CD1 3.16Å; H283-L286 VanDerWaalsContact O-CG 3.27Å; H283-L286 WeakPolarHBondContact O-CG 3.49Å; H283-L286 PolarHBondContact O-N 3.34Å; F284-L286 PolarHBondContact O-N 3.17Å; L286-Q288 PolarHBondContact O-N 2.99Å; L286-Y403 HydrophobicContact CD2-CD1 3.82Å; L286-Y403 HydrophobicContact CD2-CE1 3.73Å; L286-Y403 HydrophobicContact CG-CD1 4.39Å; L286-Y403 HydrophobicContact CG-CE1 4.37Å; L286-H405 HydrophobicContact CD2-CB 4.01Å |
| 287 | N | 92.3 | Very high | 93.8 | Very high | 79 Ų | 79 | 44.1 Ų | 44.1 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 11.7 | -178.3 | -52.3 | -33.4 | 0 | 0 | 0 | 115.2 | P236 H285 Y403 | P236-N287 WeakPolarHBondContact CD-O 3.31Å; P236-N287 WeakPolarHBondContact CG-O 3.26Å; H285-N287 PolarHBondContact O-N 3.24Å; N287-Y403 PolarHBondContact N-O 3Å |
| 288 | Q | 93.6 | Very high | 94 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -97.4 | 159.2 | 174.6 | -69.5 | -179.9 | -20 | 0 | 0 | 111.7 | P233 E234 F284 H285 L286 V402 Y403 | P233-Q288 VanDerWaalsContact O-CA 3.29Å; P233-Q288 WeakPolarHBondContact O-CA 3.42Å; P233-Q288 WeakPolarHBondContact O-CB 3.19Å; E234-Q288 PolarHBondContact OE2-NE2 2.83Å; F284-Q288 PolarHBondContact O-OE1 3.15Å; H285-Q288 PolarHBondContact O-N 3.11Å; L286-Q288 PolarHBondContact O-N 2.99Å; Q288-V402 WeakPolarHBondContact O-CA 3.32Å; Q288-Y403 PolarHBondContact O-N 2.7Å |
| 289 | L | 95.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.6 | 174.1 | -164.5 | 69.5 | 0 | 0 | 0 | 109.5 | L232 P233 P236 L272 T400 V402 | L232-L289 HydrophobicContact CD1-CD2 4.48Å; L232-L289 HydrophobicContact CD2-CD2 4.46Å; L232-L289 HydrophobicContact CG-CD2 4.12Å; P233-L289 PolarHBondContact O-N 3.18Å; P236-L289 HydrophobicContact CB-CB 4.01Å; P236-L289 HydrophobicContact CB-CD1 4.1Å; P236-L289 HydrophobicContact CG-CB 4.14Å; L272-L289 HydrophobicContact CD1-CD2 4.43Å; L272-L289 HydrophobicContact CD2-CD2 4.49Å; L272-L289 HydrophobicContact CD2-CG 4.45Å; L289-T400 HydrophobicContact CD1-CG2 4.14Å; L289-T400 HydrophobicContact CD2-CG2 4.26Å; L289-T400 HydrophobicContact CG-CG2 4.13Å; L289-V402 HydrophobicContact CD1-CG2 4.05Å |
| 290 | I | 95.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 150.2 | 179.2 | 59.1 | 164.3 | 0 | 0 | 0 | 110.4 | L281 H285 T292 T400 G401 Y403 I424 | L281-I290 HydrophobicContact CD1-CD1 4.07Å; L281-I290 HydrophobicContact CD2-CD1 3.65Å; L281-I290 HydrophobicContact CD2-CG2 4.43Å; H285-I290 HydrophobicContact CB-CG2 4.14Å; I290-T292 HydrophobicContact CD1-CG2 3.84Å; I290-T292 HydrophobicContact CG1-CG2 4.42Å; I290-T400 CarbonylContact O-C 3.48Å; I290-T400 WeakPolarHBondContact O-CA 3.44Å; I290-G401 VanDerWaalsContact CG1-O 3.25Å; I290-G401 WeakPolarHBondContact CG1-O 3.48Å; I290-G401 PolarHBondContact N-O 3.36Å; I290-G401 PolarHBondContact O-N 3.33Å; I290-Y403 HydrophobicContact CD1-CD2 4.37Å; I290-Y403 HydrophobicContact CD1-CG 4.36Å; I290-I424 HydrophobicContact CD1-CD1 4.07Å; I290-I424 HydrophobicContact CD1-CG1 4.17Å; I290-I424 HydrophobicContact CD1-CG2 4.35Å |
| 291 | R | 95.4 | Very high | 94.2 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121 | 167.9 | -177.4 | 173.2 | 80.3 | 153.6 | -15.4 | 108.6 | D271 L272 P273 L274 I275 E276 E398 L399 | D271-R291 IonicContact OD1-NH1 2.95Å; L272-R291 HydrophobicContact CB-CB 4.16Å; L272-R291 HydrophobicContact CD2-CB 4.13Å; L272-R291 WeakPolarHBondContact O-CD 3.44Å; L272-R291 PolarHBondContact O-NE 3.03Å; L272-R291 PolarHBondContact O-NH2 3.36Å; P273-R291 PolarHBondContact O-NH2 2.94Å; L274-R291 WeakPolarHBondContact O-CB 3.48Å; I275-R291 VanDerWaalsContact CG1-CZ 3.41Å; I275-R291 VanDerWaalsContact CG1-NE 3.32Å; E276-R291 PolarHBondContact N-O 3.01Å; R291-E398 WeakPolarHBondContact CD-OE1 3.03Å; R291-E398 HydrophobicContact CG-CG 4.04Å; R291-E398 IonicContact CZ-OE1 3.67Å; R291-E398 VanDerWaalsContact CZ-OE1 3.25Å; R291-E398 IonicContact NE-OE1 3.33Å; R291-E398 PolarHBondContact NE-OE1 2.98Å; R291-E398 IonicContact NH1-OE1 2.63Å; R291-E398 PolarHBondContact NH1-OE1 3.19Å; R291-L399 WeakPolarHBondContact CA-O 3.47Å |
| 292 | T | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148.5 | -175.7 | 60.4 | 0 | 0 | 0 | 0 | 111 | E276 L281 I290 L399 | E276-T292 HydrophobicContact CB-CG2 4.24Å; E276-T292 WeakPolarHBondContact O-CA 3.49Å; E276-T292 WeakPolarHBondContact O-CG2 3.38Å; L281-T292 HydrophobicContact CD1-CG2 4.44Å; L281-T292 HydrophobicContact CD2-CG2 4.37Å; I290-T292 HydrophobicContact CD1-CG2 3.84Å; I290-T292 HydrophobicContact CG1-CG2 4.42Å; T292-L399 PolarHBondContact N-O 2.83Å; T292-L399 PolarHBondContact O-N 2.89Å |
| 293 | C | 93.5 | Very high | 94.4 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.8 | 176.3 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | L278 I397 | L278-C293 WeakPolarHBondContact CD1-O 3.16Å; C293-I397 WeakPolarHBondContact CA-O 3.47Å |
| 294 | G | 93.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | -179.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | L363 Q364 I397 | G294-L363 VanDerWaalsContact C-CD1 3.42Å; G294-Q364 CarbonylContact C-O 3.5Å; G294-Q364 WeakPolarHBondContact CA-O 3.31Å; G294-I397 PolarHBondContact N-O 2.71Å; G294-I397 PolarHBondContact O-N 2.98Å |
| 295 | V | 95.9 | Very high | 94.3 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 16% | 0.158 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133 | 175.1 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | T297 Q364 D395 E396 | V295-T297 PolarHBondContact O-N 2.95Å; V295-Q364 PolarHBondContact N-O 2.82Å; V295-Q364 PolarHBondContact O-N 2.77Å; V295-D395 WeakPolarHBondContact CA-O 3.29Å; V295-E396 HydrophobicContact CG2-CG 4.18Å |
| 296 | V | 96.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 119.9 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | I361 L363 C391 P393 G394 D395 I397 | V296-I361 HydrophobicContact CG1-CB 4.34Å; V296-I361 HydrophobicContact CG2-CD1 4.45Å; V296-L363 HydrophobicContact CG2-CD1 4.37Å; V296-C391 HydrophobicContact CG2-CB 4.14Å; V296-P393 CarbonylContact O-C 3.39Å; V296-P393 WeakPolarHBondContact O-CA 3.34Å; V296-G394 PolarHBondContact O-N 3.25Å; V296-D395 PolarHBondContact N-O 3.11Å; V296-D395 VanDerWaalsContact N-O 3.07Å; V296-I397 HydrophobicContact CG2-CD1 3.55Å; V296-I397 HydrophobicContact CG2-CG1 3.87Å; V296-I397 HydrophobicContact CG2-CG2 4.05Å |
| 297 | T | 95.9 | Very high | 94 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -35.9 | -178.5 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | V295 T362 Q364 | V295-T297 PolarHBondContact O-N 2.95Å; T297-T362 PolarHBondContact N-O 2.81Å; T297-T362 PolarHBondContact OG1-O 3.12Å; T297-Q364 HydrophobicContact CG2-CB 3.48Å; T297-Q364 VanDerWaalsContact CG2-CB 3.48Å; T297-Q364 HydrophobicContact CG2-CG 4.3Å |
| 298 | S | 95.5 | Very high | 93.9 | Very high | 58 Ų | 58 | 35.1 Ų | 35.1 | 41% | 0.406 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 147.2 | 178 | 64.5 | 0 | 0 | 0 | 0 | 109.8 | I361 T362 | S298-I361 WeakPolarHBondContact O-CA 3.26Å; S298-T362 PolarHBondContact O-N 3.41Å; S298-T362 PolarHBondContact OG-OG1 3.42Å |
| 299 | S | 94.8 | Very high | 93.7 | Very high | 46 Ų | 46 | 33.6 Ų | 33.6 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 134.1 | 172.5 | 56.7 | 0 | 0 | 0 | 0 | 107.8 | P393 | S299-P393 WeakPolarHBondContact OG-CG 3.47Å |
| 300 | S | 94.8 | Very high | 93.5 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -70.7 | 158.6 | 164.8 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | Q359 R360 | S300-Q359 WeakPolarHBondContact O-CG 2.92Å; S300-Q359 PolarHBondContact O-NE2 3.36Å; S300-R360 PolarHBondContact N-O 2.79Å; S300-R360 WeakPolarHBondContact OG-CA 3.22Å; S300-R360 PolarHBondContact OG-N 2.87Å; S300-R360 PolarHBondContact OG-O 3.31Å |
| 301 | G | 94.5 | Very high | 93.3 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 55% | 0.546 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 163.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L303 | G301-L303 PolarHBondContact O-N 3.33Š|
| 302 | V | 95.5 | Very high | 93.1 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 122.5 | 176 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | N357 V388 D389 | V302-N357 HydrophobicContact CG1-CB 4.23Å; V302-V388 HydrophobicContact CB-CG1 3.95Å; V302-V388 HydrophobicContact CG1-CG1 3.67Å; V302-V388 HydrophobicContact CG2-CG1 3.21Å; V302-D389 VanDerWaalsContact CG2-OD2 3.31Å; V302-D389 WeakPolarHBondContact CG2-OD2 3.49Å |
| 303 | L | 94 | Very high | 93 | Very high | 98 Ų | 98 | 39.9 Ų | 39.9 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.8 | 179.1 | -61.8 | 174.6 | 0 | 0 | 0 | 110 | G301 Y358 | G301-L303 PolarHBondContact O-N 3.33Å; L303-Y358 PolarHBondContact N-O 3.48Å; L303-Y358 WeakPolarHBondContact O-CA 3.49Å; L303-Y358 WeakPolarHBondContact O-CB 3.41Å; L303-Y358 PolarHBondContact O-N 3.4Å |
| 304 | P | 92.8 | Very high | 92.9 | Very high | 95 Ų | 95 | 42.5 Ų | 42.5 | 62% | 0.617 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127 | 171.6 | 29.9 | -32.4 | 0 | 0 | 0 | 110.2 | Y355 R356 | P304-Y355 HydrophobicContact CB-CD1 4.27Å; P304-R356 CarbonylContact C-O 3.58Å |
| 305 | Q | 90.8 | Very high | 92.7 | Very high | 46 Ų | 46 | 49 Ų | 49 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 143.2 | 173.9 | -173.6 | -176.9 | 52.4 | 0 | 0 | 110 | S307 Y355 R356 Y358 | Q305-S307 PolarHBondContact O-N 2.75Å; Q305-Y355 CarbonylContact O-C 3.56Å; Q305-Y355 VanDerWaalsContact O-CA 3.3Å; Q305-Y355 WeakPolarHBondContact O-CA 3.5Å; Q305-R356 HydrophobicContact CB-CG 4.19Å; Q305-R356 PolarHBondContact N-O 3.49Å; Q305-R356 PolarHBondContact O-N 2.91Å; Q305-Y358 HydrophobicContact CB-CG 4.37Å |
| 306 | L | 90.4 | Very high | 92.4 | Very high | 48 Ų | 48 | 50.7 Ų | 50.7 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 128.8 | 171.9 | -65.4 | 169.7 | 0 | 0 | 0 | 110.7 | V309 L348 T353 Y355 | L306-V309 HydrophobicContact CB-CG2 3.67Å; L306-V309 HydrophobicContact CD1-CG2 3.97Å; L306-V309 HydrophobicContact CD2-CG2 4.37Å; L306-V309 HydrophobicContact CG-CG2 4.22Å; L306-L348 HydrophobicContact CD1-CD1 4.33Å; L306-L348 HydrophobicContact CD1-CD2 4.15Å; L306-L348 HydrophobicContact CD2-CD2 4.22Å; L306-T353 HydrophobicContact CD2-CG2 4.43Å; L306-Y355 HydrophobicContact CD2-CD1 3.85Å; L306-Y355 HydrophobicContact CD2-CE1 3.36Å; L306-Y355 HydrophobicContact CG-CE1 4.27Å |
| 307 | S | 88.3 | Confident | 92 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -54.5 | 174.8 | 68 | 0 | 0 | 0 | 0 | 111.4 | Q305 Q325 V354 | Q305-S307 PolarHBondContact O-N 2.75Å; S307-Q325 PolarHBondContact O-N 3.17Å; S307-V354 PolarHBondContact N-O 3.15Å; S307-V354 WeakPolarHBondContact OG-CG1 2.94Å; S307-V354 PolarHBondContact OG-O 3.34Å |
| 308 | V | 89.8 | Confident | 91.7 | Very high | 25 Ų | 25 | 51.1 Ų | 51.1 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.9 | 174.2 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | P322 T353 V354 | V308-P322 HydrophobicContact CG1-CB 3.52Å; V308-T353 CarbonylContact O-C 3.47Å; V308-T353 VanDerWaalsContact O-CA 3.31Å; V308-T353 WeakPolarHBondContact O-CA 3.42Å; V308-V354 HydrophobicContact CB-CB 4.13Å; V308-V354 HydrophobicContact CB-CG2 4.29Å; V308-V354 PolarHBondContact N-O 3.16Å; V308-V354 PolarHBondContact O-N 2.8Å |
| 309 | V | 90.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.1 | -175.1 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | L306 Y311 F323 Q325 L348 T353 | L306-V309 HydrophobicContact CB-CG2 3.67Å; L306-V309 HydrophobicContact CD1-CG2 3.97Å; L306-V309 HydrophobicContact CD2-CG2 4.37Å; L306-V309 HydrophobicContact CG-CG2 4.22Å; V309-Y311 HydrophobicContact CB-CE2 4.27Å; V309-Y311 HydrophobicContact CG1-CD2 3.85Å; V309-Y311 HydrophobicContact CG1-CE1 4.08Å; V309-Y311 HydrophobicContact CG1-CE2 3.33Å; V309-Y311 HydrophobicContact CG1-CG 4.43Å; V309-Y311 VanDerWaalsContact CG1-CZ 3.47Å; V309-F323 PolarHBondContact N-O 3.4Å; V309-F323 PolarHBondContact O-N 2.95Å; V309-Q325 HydrophobicContact CG2-CB 4.46Å; V309-L348 HydrophobicContact CG1-CD1 3.35Å; V309-T353 HydrophobicContact CG1-CG2 4.34Å |
| 310 | R | 91.5 | Very high | 91.1 | Very high | 91 Ų | 91 | 50.8 Ų | 50.8 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.4 | 166.1 | -68.5 | -170 | -179.1 | 178.3 | -0.9 | 109.5 | L320 S349 Q352 | R310-L320 CarbonylContact C-O 3.39Å; R310-L320 VanDerWaalsContact CA-O 3.25Å; R310-L320 WeakPolarHBondContact CA-O 3.45Å; R310-S349 PolarHBondContact O-N 3.4Å; R310-Q352 HydrophobicContact CB-CB 4.49Å; R310-Q352 VanDerWaalsContact CD-OE1 3.23Å |
| 311 | Y | 91.2 | Very high | 90.5 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 9% | 0.086 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 146.1 | 179.4 | -65.5 | -85.7 | 0 | 0 | 0 | 110.7 | V309 L320 F323 V332 P334 F346 E347 L348 | V309-Y311 HydrophobicContact CB-CE2 4.27Å; V309-Y311 HydrophobicContact CG1-CD2 3.85Å; V309-Y311 HydrophobicContact CG1-CE1 4.08Å; V309-Y311 HydrophobicContact CG1-CE2 3.33Å; V309-Y311 HydrophobicContact CG1-CG 4.43Å; V309-Y311 VanDerWaalsContact CG1-CZ 3.47Å; Y311-L320 PolarHBondContact N-O 2.73Å; Y311-L320 WeakPolarHBondContact O-CA 3.48Å; Y311-L320 WeakPolarHBondContact O-CB 3.41Å; Y311-L320 PolarHBondContact O-N 3.44Å; Y311-F323 AromaticContact CD2-CD2 3.78Å; Y311-F323 HydrophobicContact CD2-CD2 3.78Å; Y311-F323 HydrophobicContact CD2-CE2 4.05Å; Y311-F323 AromaticContact CE2-CD2 3.99Å; Y311-F323 HydrophobicContact CE2-CD2 3.99Å; Y311-V332 WeakPolarHBondContact CE2-O 3.23Å; Y311-V332 PolarHBondContact OH-O 2.63Å; Y311-P334 HydrophobicContact CD2-CG 3.71Å; Y311-P334 HydrophobicContact CE2-CG 4.27Å; Y311-P334 HydrophobicContact CG-CG 4.04Å; Y311-F346 HydrophobicContact CD1-CB 4.34Å; Y311-F346 HydrophobicContact CG-CB 4.45Å; Y311-E347 CarbonylContact C-O 3.54Å; Y311-E347 WeakPolarHBondContact CA-O 3.38Å; Y311-L348 HydrophobicContact CD1-CD1 4.49Å; Y311-L348 HydrophobicContact CE1-CD1 4.21Å |
| 312 | N | 91.8 | Very high | 90.2 | Very high | 51 Ų | 51 | 52 Ų | 52 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.5 | 170.1 | -66.6 | -22.7 | 0 | 0 | 0 | 109 | T314 C318 L319 F346 E347 | N312-T314 PolarHBondContact O-N 3.18Å; N312-C318 WeakPolarHBondContact CA-O 3.39Å; N312-L319 WeakPolarHBondContact OD1-CD2 3.48Å; N312-F346 WeakPolarHBondContact O-CA 3.4Å; N312-E347 PolarHBondContact N-O 3.16Å; N312-E347 PolarHBondContact O-N 3.32Å |
| 313 | C | 92.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 123 | 168.5 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | K315 G317 C318 L320 C337 C340 F346 | C313-K315 PolarHBondContact O-N 2.93Å; C313-G317 WeakPolarHBondContact O-CA 3.3Å; C313-G317 PolarHBondContact O-N 2.93Å; C313-C318 HydrophobicContact CB-CB 4.36Å; C313-C318 WeakPolarHBondContact CB-SG 3.37Å; C313-C318 PolarHBondContact N-O 3.33Å; C313-L320 HydrophobicContact CB-CD1 4.44Å; C313-C337 HydrophobicContact CB-CB 4.05Å; C313-C340 VanDerWaalsContact SG-SG 3.69Å; C313-F346 HydrophobicContact CB-CD1 4.15Å; C313-F346 HydrophobicContact CB-CE1 4.24Å |
| 314 | T | 90.7 | Very high | 89.5 | Confident | 64 Ų | 64 | 53.1 Ų | 53.1 | 39% | 0.393 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.9 | 179.9 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | N312 P345 E347 | N312-T314 PolarHBondContact O-N 3.18Å; T314-P345 HydrophobicContact CG2-CG 4.24Å; T314-P345 WeakPolarHBondContact CG2-O 3.46Å; T314-P345 PolarHBondContact N-O 3.03Å; T314-P345 WeakPolarHBondContact OG1-CD 3.46Å; T314-P345 WeakPolarHBondContact OG1-CG 3.17Å; T314-P345 PolarHBondContact OG1-O 3.05Å; T314-E347 HydrophobicContact CG2-CG 3.84Å |
| 315 | K | 89.3 | Confident | 88.9 | Confident | 138 Ų | 138 | 50 Ų | 50 | 60% | 0.6 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -43.2 | -175.9 | -58.7 | -163.9 | -167.3 | -179.9 | 0 | 113.8 | C313 S342 G344 | C313-K315 PolarHBondContact O-N 2.93Å; K315-S342 WeakPolarHBondContact CD-OG 3.48Å; K315-G344 VanDerWaalsContact CE-O 3.23Å; K315-G344 WeakPolarHBondContact CE-O 3.03Å |
| 316 | C | 90.5 | Very high | 88.2 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -8.6 | -177.4 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | C318 C337 C340 | C316-C318 PolarHBondContact O-N 2.88Å; C316-C318 WeakPolarHBondContact SG-CB 3.46Å; C316-C318 PolarHBondContact SG-SG 2.77Å; C316-C337 PolarHBondContact SG-SG 2.94Å; C316-C340 HydrophobicContact CB-CB 4.11Å |
| 317 | G | 86.9 | Confident | 87.1 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | trans | 73.4 | 8.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C313 | C313-G317 WeakPolarHBondContact O-CA 3.3Å; C313-G317 PolarHBondContact O-N 2.93Å | ||
| 318 | C | 89.2 | Confident | 85.7 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 134.8 | 178.7 | 77 | 0 | 0 | 0 | 0 | 110.7 | N312 C313 C316 L320 C337 D339 | N312-C318 WeakPolarHBondContact CA-O 3.39Å; C313-C318 HydrophobicContact CB-CB 4.36Å; C313-C318 WeakPolarHBondContact CB-SG 3.37Å; C313-C318 PolarHBondContact N-O 3.33Å; C316-C318 PolarHBondContact O-N 2.88Å; C316-C318 WeakPolarHBondContact SG-CB 3.46Å; C316-C318 PolarHBondContact SG-SG 2.77Å; C318-L320 WeakPolarHBondContact SG-CD2 2.99Å; C318-C337 WeakPolarHBondContact CB-SG 3.3Å; C318-C337 WeakPolarHBondContact SG-CB 3.47Å; C318-C337 CovalentContact SG-SG 2.11Å; C318-C337 PolarHBondContact SG-SG 3.13Å; C318-D339 HydrophobicContact CB-CB 4.29Å; C318-D339 WeakPolarHBondContact CB-OD2 3.45Å |
| 319 | L | 89.8 | Confident | 84.3 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 47% | 0.471 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 116.2 | 167.5 | -82.7 | 163.2 | 0 | 0 | 0 | 109 | N312 | N312-L319 WeakPolarHBondContact OD1-CD2 3.48Å |
| 320 | L | 89.4 | Confident | 83 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 145.1 | 177.7 | -58 | 177.8 | 0 | 0 | 0 | 111.1 | R310 Y311 C313 C318 F323 P334 C337 P338 F346 | R310-L320 CarbonylContact C-O 3.39Å; R310-L320 VanDerWaalsContact CA-O 3.25Å; R310-L320 WeakPolarHBondContact CA-O 3.45Å; Y311-L320 PolarHBondContact N-O 2.73Å; Y311-L320 WeakPolarHBondContact O-CA 3.48Å; Y311-L320 WeakPolarHBondContact O-CB 3.41Å; Y311-L320 PolarHBondContact O-N 3.44Å; C313-L320 HydrophobicContact CB-CD1 4.44Å; C318-L320 WeakPolarHBondContact SG-CD2 2.99Å; L320-F323 HydrophobicContact CB-CE2 4.17Å; L320-P334 HydrophobicContact CD1-CB 4.05Å; L320-P334 HydrophobicContact CD1-CG 3.8Å; L320-C337 HydrophobicContact CD1-CB 4.18Å; L320-C337 HydrophobicContact CD2-CB 3.81Å; L320-P338 HydrophobicContact CD2-CG 4.17Å; L320-F346 HydrophobicContact CD1-CD1 3.25Å; L320-F346 HydrophobicContact CD1-CE1 3.35Å; L320-F346 HydrophobicContact CD1-CG 4.01Å; L320-F346 HydrophobicContact CD1-CZ 4.16Å |
| 321 | G | 82.8 | Confident | 82 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110 | -171.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 322 | P | 87.9 | Confident | 81.4 | Confident | 83 Ų | 83 | 63.8 Ų | 63.8 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -77.9 | 139.3 | 15 | 30.2 | -34.9 | 0 | 0 | 0 | 114.6 | V308 | V308-P322 HydrophobicContact CG1-CB 3.52Å |
| 323 | F | 88 | Confident | 80.9 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 26% | 0.259 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.9 | 169.2 | -61.2 | -74 | 0 | 0 | 0 | 110 | V309 Y311 L320 V332 P334 | V309-F323 PolarHBondContact N-O 3.4Å; V309-F323 PolarHBondContact O-N 2.95Å; Y311-F323 AromaticContact CD2-CD2 3.78Å; Y311-F323 HydrophobicContact CD2-CD2 3.78Å; Y311-F323 HydrophobicContact CD2-CE2 4.05Å; Y311-F323 AromaticContact CE2-CD2 3.99Å; Y311-F323 HydrophobicContact CE2-CD2 3.99Å; L320-F323 HydrophobicContact CB-CE2 4.17Å; F323-V332 HydrophobicContact CB-CG1 3.95Å; F323-V332 HydrophobicContact CD1-CG1 3.98Å; F323-V332 HydrophobicContact CG-CG1 4.15Å; F323-P334 HydrophobicContact CE2-CB 3.82Å; F323-P334 HydrophobicContact CE2-CG 3.94Å; F323-P334 HydrophobicContact CZ-CB 3.68Å; F323-P334 HydrophobicContact CZ-CG 4.32Å |
| 324 | I | 86.1 | Confident | 80.5 | Confident | 121 Ų | 121 | 68.3 Ų | 68.3 | 62% | 0.621 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.6 | 177.3 | -58.7 | 170.6 | 0 | 0 | 0 | 108.4 | N326 | I324-N326 PolarHBondContact O-N 2.79Å |
| 325 | Q | 80.5 | Confident | 80.3 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 14% | 0.136 | 41% | 0.413 | C | S | . | . | trans | -89.3 | 109 | 178 | -173.5 | 62.3 | 46.4 | 0 | 0 | 110.4 | S307 V309 G329 S330 R356 | S307-Q325 PolarHBondContact O-N 3.17Å; V309-Q325 HydrophobicContact CG2-CB 4.46Å; Q325-G329 PolarHBondContact NE2-O 2.98Å; Q325-S330 PolarHBondContact NE2-O 3.49Å; Q325-R356 PolarHBondContact O-NH2 2.97Å | ||
| 326 | N | 75.1 | Confident | 80.3 | Confident | 95 Ų | 95 | 66.9 Ų | 66.9 | 51% | 0.508 | 41% | 0.406 | S | S | . | . | trans | -80.5 | 151.6 | 171.7 | -68.1 | -15.2 | 0 | 0 | 0 | 110.6 | I324 T328 | I324-N326 PolarHBondContact O-N 2.79Å; N326-T328 VanDerWaalsContact C-N 3.34Å | ||
| 327 | Q | 67 | Low | 80.3 | Confident | 44 Ų | 44 | 64 Ų | 64 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -79 | -21.5 | -178.6 | -67.7 | 171.1 | 37.9 | 0 | 0 | 112.8 | G329 R356 | Q327-G329 PolarHBondContact O-N 3.03Å; Q327-R356 VanDerWaalsContact CG-NH2 3.33Å; Q327-R356 VanDerWaalsContact NE2-CZ 3.32Å; Q327-R356 VanDerWaalsContact NE2-NH2 3.16Å |
| 328 | T | 60.1 | Low | 80.4 | Confident | 51 Ų | 51 | 65.8 Ų | 65.8 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -83.8 | -9.7 | -167.2 | -33.5 | 0 | 0 | 0 | 0 | 113.6 | N326 H405 | N326-T328 VanDerWaalsContact C-N 3.34Å; T328-H405 WeakPolarHBondContact CG2-O 3.47Å |
| 329 | G | 59.2 | Low | 80.4 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 49% | 0.485 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -159.2 | 164.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q325 Q327 | Q325-G329 PolarHBondContact NE2-O 2.98Å; Q327-G329 PolarHBondContact O-N 3.03Å |
| 330 | S | 63.5 | Low | 80.4 | Confident | 109 Ų | 109 | 69.2 Ų | 69.2 | 76% | 0.762 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -35.6 | 151.8 | -173.6 | 55.1 | 0 | 0 | 0 | 0 | 116.3 | Q325 V332 | Q325-S330 PolarHBondContact NE2-O 3.49Å; S330-V332 PolarHBondContact O-N 3.2Å; S330-V332 VanDerWaalsContact O-N 3.13Å |
| 331 | E | 71.8 | Confident | 80.3 | Confident | 131 Ų | 131 | 76.7 Ų | 76.7 | 61% | 0.612 | 44% | 0.444 | S | S | * | . | trans | -44.8 | 118.9 | 170.4 | -64.3 | 176.7 | 177.5 | 0 | 0 | 111.3 | K333 | E331-K333 PolarHBondContact O-N 2.63Å; E331-K333 VanDerWaalsContact O-N 3.15Å; E331-K333 WeakPolarHBondContact OE2-CE 2.8Å; E331-K333 IonicContact OE2-NZ 3.89Å; E331-K333 PolarHBondContact OE2-NZ 3.26Å | ||
| 332 | V | 78.5 | Confident | 80.5 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 32% | 0.315 | 43% | 0.43 | S | S | . | . | trans | -76.7 | 104.9 | 177.4 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | Y311 F323 S330 | Y311-V332 WeakPolarHBondContact CE2-O 3.23Å; Y311-V332 PolarHBondContact OH-O 2.63Å; F323-V332 HydrophobicContact CB-CG1 3.95Å; F323-V332 HydrophobicContact CD1-CG1 3.98Å; F323-V332 HydrophobicContact CG-CG1 4.15Å; S330-V332 PolarHBondContact O-N 3.2Å; S330-V332 VanDerWaalsContact O-N 3.13Å | ||
| 333 | K | 80.3 | Confident | 80.5 | Confident | 134 Ų | 134 | 74.6 Ų | 74.6 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | trans | -110.2 | 132.7 | 174.2 | -69.2 | 177.3 | -177.7 | 163.9 | 0 | 109.4 | E331 S335 | E331-K333 PolarHBondContact O-N 2.63Å; E331-K333 VanDerWaalsContact O-N 3.15Å; E331-K333 WeakPolarHBondContact OE2-CE 2.8Å; E331-K333 IonicContact OE2-NZ 3.89Å; E331-K333 PolarHBondContact OE2-NZ 3.26Å; K333-S335 PolarHBondContact O-N 3.07Å | ||
| 334 | P | 84.1 | Confident | 80.1 | Confident | 14 Ų | 14 | 72.5 Ų | 72.5 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | trans | -59.3 | 138.1 | 171.4 | 21.7 | -29.6 | 0 | 0 | 0 | 109.5 | Y311 L320 F323 F346 | Y311-P334 HydrophobicContact CD2-CG 3.71Å; Y311-P334 HydrophobicContact CE2-CG 4.27Å; Y311-P334 HydrophobicContact CG-CG 4.04Å; L320-P334 HydrophobicContact CD1-CB 4.05Å; L320-P334 HydrophobicContact CD1-CG 3.8Å; F323-P334 HydrophobicContact CE2-CB 3.82Å; F323-P334 HydrophobicContact CE2-CG 3.94Å; F323-P334 HydrophobicContact CZ-CB 3.68Å; F323-P334 HydrophobicContact CZ-CG 4.32Å; P334-F346 HydrophobicContact CB-CD2 4.39Å; P334-F346 HydrophobicContact CB-CE2 4.31Å; P334-F346 HydrophobicContact CG-CB 4.3Å; P334-F346 HydrophobicContact CG-CD1 4.46Å; P334-F346 HydrophobicContact CG-CD2 3.75Å; P334-F346 HydrophobicContact CG-CE2 4.16Å; P334-F346 HydrophobicContact CG-CG 3.91Å; P334-F346 VanDerWaalsContact O-CD2 3.32Å; P334-F346 WeakPolarHBondContact O-CD2 3.46Å; P334-F346 WeakPolarHBondContact O-CE2 3.33Å | ||
| 335 | S | 86.5 | Confident | 80.2 | Confident | 98 Ų | 98 | 71 Ų | 71 | 69% | 0.685 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -83 | -33.9 | 175.1 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | K333 G343 | K333-S335 PolarHBondContact O-N 3.07Å; S335-G343 VanDerWaalsContact O-CA 3.28Å; S335-G343 WeakPolarHBondContact O-CA 3.41Å |
| 336 | T | 90.1 | Very high | 80.6 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 45% | 0.454 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -146 | 136.5 | -172.7 | -53 | 0 | 0 | 0 | 0 | 110.6 | S342 | T336-S342 WeakPolarHBondContact CA-O 3.17Š|
| 337 | C | 89.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 44% | 0.436 | C | S | . | . | trans | -76.1 | 132.6 | 167.9 | 168.1 | 0 | 0 | 0 | 0 | 109.3 | C313 C316 C318 L320 D339 Q341 S342 F346 | C313-C337 HydrophobicContact CB-CB 4.05Å; C316-C337 PolarHBondContact SG-SG 2.94Å; C318-C337 WeakPolarHBondContact CB-SG 3.3Å; C318-C337 WeakPolarHBondContact SG-CB 3.47Å; C318-C337 CovalentContact SG-SG 2.11Å; C318-C337 PolarHBondContact SG-SG 3.13Å; L320-C337 HydrophobicContact CD1-CB 4.18Å; L320-C337 HydrophobicContact CD2-CB 3.81Å; C337-D339 VanDerWaalsContact C-N 3.29Å; C337-D339 PolarHBondContact O-N 3.45Å; C337-D339 PolarHBondContact SG-N 2.9Å; C337-D339 VanDerWaalsContact SG-N 3.41Å; C337-Q341 WeakPolarHBondContact O-CA 3.16Å; C337-Q341 PolarHBondContact O-N 3.3Å; C337-S342 PolarHBondContact N-O 3.42Å; C337-F346 HydrophobicContact CB-CE1 3.99Å | ||
| 338 | P | 88.9 | Confident | 82.5 | Confident | 96 Ų | 96 | 74 Ų | 74 | 62% | 0.623 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -32.8 | 179.7 | 26.5 | -31.6 | 0 | 0 | 0 | 112.4 | L320 | L320-P338 HydrophobicContact CD2-CG 4.17Š|
| 339 | D | 88.8 | Confident | 83.9 | Confident | 124 Ų | 124 | 72 Ų | 72 | 66% | 0.663 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -43.8 | -174.1 | -59.7 | -24.4 | 0 | 0 | 0 | 113.4 | C318 C337 | C318-D339 HydrophobicContact CB-CB 4.29Å; C318-D339 WeakPolarHBondContact CB-OD2 3.45Å; C337-D339 VanDerWaalsContact C-N 3.29Å; C337-D339 PolarHBondContact O-N 3.45Å; C337-D339 PolarHBondContact SG-N 2.9Å; C337-D339 VanDerWaalsContact SG-N 3.41Å |
| 340 | C | 89.5 | Confident | 85.2 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 32% | 0.324 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -1.4 | -176.7 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | C313 C316 S342 | C313-C340 VanDerWaalsContact SG-SG 3.69Å; C316-C340 HydrophobicContact CB-CB 4.11Å; C340-S342 PolarHBondContact O-N 3.24Å; C340-S342 PolarHBondContact SG-OG 2.93Å |
| 341 | Q | 88 | Confident | 86.5 | Confident | 163 Ų | 163 | 79.2 Ų | 79.2 | 76% | 0.762 | 44% | 0.44 | S | S | * | . | trans | 52.2 | 22.1 | -176.6 | -59.7 | 179.8 | 1.6 | 0 | 0 | 114 | C337 | C337-Q341 WeakPolarHBondContact O-CA 3.16Å; C337-Q341 PolarHBondContact O-N 3.3Å | ||
| 342 | S | 87.7 | Confident | 87.3 | Confident | 14 Ų | 14 | 76.3 Ų | 76.3 | 10% | 0.098 | 43% | 0.426 | C | S | . | . | trans | -90.2 | 140.8 | -178.1 | 81.6 | 0 | 0 | 0 | 0 | 111.5 | K315 T336 C337 C340 G344 F346 | K315-S342 WeakPolarHBondContact CD-OG 3.48Å; T336-S342 WeakPolarHBondContact CA-O 3.17Å; C337-S342 PolarHBondContact N-O 3.42Å; C340-S342 PolarHBondContact O-N 3.24Å; C340-S342 PolarHBondContact SG-OG 2.93Å; S342-G344 PolarHBondContact O-N 2.67Å; S342-F346 WeakPolarHBondContact O-CZ 3.25Å | ||
| 343 | G | 85.9 | Confident | 87.7 | Confident | 63 Ų | 63 | 74.3 Ų | 74.3 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | trans | -82.4 | 29.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S335 | S335-G343 VanDerWaalsContact O-CA 3.28Å; S335-G343 WeakPolarHBondContact O-CA 3.41Å | ||
| 344 | G | 81.5 | Confident | 88.2 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 16% | 0.155 | 41% | 0.408 | C | S | . | . | trans | 104.2 | 177.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K315 S342 F346 | K315-G344 VanDerWaalsContact CE-O 3.23Å; K315-G344 WeakPolarHBondContact CE-O 3.03Å; S342-G344 PolarHBondContact O-N 2.67Å; G344-F346 VanDerWaalsContact N-CZ 3.34Å | ||
| 345 | P | 87.2 | Confident | 88.5 | Confident | 90 Ų | 90 | 75.3 Ų | 75.3 | 58% | 0.584 | 42% | 0.421 | S | S | * | . | cis | -79.9 | 150.6 | 10.5 | 29.7 | -31.4 | 0 | 0 | 0 | 114.3 | T314 | T314-P345 HydrophobicContact CG2-CG 4.24Å; T314-P345 WeakPolarHBondContact CG2-O 3.46Å; T314-P345 PolarHBondContact N-O 3.03Å; T314-P345 WeakPolarHBondContact OG1-CD 3.46Å; T314-P345 WeakPolarHBondContact OG1-CG 3.17Å; T314-P345 PolarHBondContact OG1-O 3.05Å | ||
| 346 | F | 89.8 | Confident | 88.8 | Confident | 44 Ų | 44 | 72.5 Ų | 72.5 | 19% | 0.193 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.4 | 178.1 | -52.5 | -65.6 | 0 | 0 | 0 | 109.8 | Y311 N312 C313 L320 P334 C337 S342 G344 | Y311-F346 HydrophobicContact CD1-CB 4.34Å; Y311-F346 HydrophobicContact CG-CB 4.45Å; N312-F346 WeakPolarHBondContact O-CA 3.4Å; C313-F346 HydrophobicContact CB-CD1 4.15Å; C313-F346 HydrophobicContact CB-CE1 4.24Å; L320-F346 HydrophobicContact CD1-CD1 3.25Å; L320-F346 HydrophobicContact CD1-CE1 3.35Å; L320-F346 HydrophobicContact CD1-CG 4.01Å; L320-F346 HydrophobicContact CD1-CZ 4.16Å; P334-F346 HydrophobicContact CB-CD2 4.39Å; P334-F346 HydrophobicContact CB-CE2 4.31Å; P334-F346 HydrophobicContact CG-CB 4.3Å; P334-F346 HydrophobicContact CG-CD1 4.46Å; P334-F346 HydrophobicContact CG-CD2 3.75Å; P334-F346 HydrophobicContact CG-CE2 4.16Å; P334-F346 HydrophobicContact CG-CG 3.91Å; P334-F346 VanDerWaalsContact O-CD2 3.32Å; P334-F346 WeakPolarHBondContact O-CD2 3.46Å; P334-F346 WeakPolarHBondContact O-CE2 3.33Å; C337-F346 HydrophobicContact CB-CE1 3.99Å; S342-F346 WeakPolarHBondContact O-CZ 3.25Å; G344-F346 VanDerWaalsContact N-CZ 3.34Å |
| 347 | E | 90.4 | Very high | 89 | Confident | 126 Ų | 126 | 72.8 Ų | 72.8 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 147.7 | 177.9 | -70.1 | -177.6 | 173.7 | 0 | 0 | 110.6 | Y311 N312 T314 | Y311-E347 CarbonylContact C-O 3.54Å; Y311-E347 WeakPolarHBondContact CA-O 3.38Å; N312-E347 PolarHBondContact N-O 3.16Å; N312-E347 PolarHBondContact O-N 3.32Å; T314-E347 HydrophobicContact CG2-CG 3.84Å |
| 348 | L | 90.3 | Very high | 89.2 | Confident | 61 Ų | 61 | 74.8 Ų | 74.8 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128 | 178.6 | -177.6 | 70.5 | 0 | 0 | 0 | 110.4 | L306 V309 Y311 M350 T353 | L306-L348 HydrophobicContact CD1-CD1 4.33Å; L306-L348 HydrophobicContact CD1-CD2 4.15Å; L306-L348 HydrophobicContact CD2-CD2 4.22Å; V309-L348 HydrophobicContact CG1-CD1 3.35Å; Y311-L348 HydrophobicContact CD1-CD1 4.49Å; Y311-L348 HydrophobicContact CE1-CD1 4.21Å; L348-M350 HydrophobicContact CD2-SD 3.78Å; L348-M350 HydrophobicContact CG-SD 4.28Å; L348-M350 PolarHBondContact O-N 3.24Å; L348-T353 HydrophobicContact CD1-CG2 3.56Å; L348-T353 HydrophobicContact CG-CG2 4.07Å |
| 349 | S | 89.1 | Confident | 89.5 | Confident | 9 Ų | 9 | 70.3 Ų | 70.3 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | trans | -87.4 | 95.6 | 177.1 | -172 | 0 | 0 | 0 | 0 | 111.1 | R310 E351 Q352 T353 | R310-S349 PolarHBondContact O-N 3.4Å; S349-E351 PolarHBondContact O-N 3.15Å; S349-Q352 PolarHBondContact O-N 3.04Å; S349-T353 WeakPolarHBondContact O-CG2 3.31Å; S349-T353 PolarHBondContact O-N 3.3Å; S349-T353 PolarHBondContact O-OG1 3.41Å | ||
| 350 | M | 88.5 | Confident | 89.8 | Confident | 123 Ų | 123 | 69.8 Ų | 69.8 | 61% | 0.606 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.9 | -173.7 | -58.5 | -67.8 | -82.6 | 0 | 0 | 114.1 | L348 T353 Y355 | L348-M350 HydrophobicContact CD2-SD 3.78Å; L348-M350 HydrophobicContact CG-SD 4.28Å; L348-M350 PolarHBondContact O-N 3.24Å; M350-T353 PolarHBondContact O-OG1 2.91Å; M350-Y355 WeakPolarHBondContact CE-OH 3.24Å; M350-Y355 PolarHBondContact SD-OH 3.47Å |
| 351 | E | 89 | Confident | 90.1 | Very high | 185 Ų | 185 | 67.6 Ų | 67.6 | 86% | 0.864 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -32.3 | -175.5 | -64.3 | -179.7 | 175 | 0 | 0 | 113.3 | S349 | S349-E351 PolarHBondContact O-N 3.15Š|
| 352 | Q | 88.5 | Confident | 90.6 | Very high | 70 Ų | 70 | 61 Ų | 61 | 33% | 0.327 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -5.3 | -174.3 | -56.3 | -173.3 | -5.5 | 0 | 0 | 113.1 | R310 S349 | R310-Q352 HydrophobicContact CB-CB 4.49Å; R310-Q352 VanDerWaalsContact CD-OE1 3.23Å; S349-Q352 PolarHBondContact O-N 3.04Å |
| 353 | T | 88.3 | Confident | 91 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.055 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 131.8 | 172.6 | 50.5 | 0 | 0 | 0 | 0 | 110.3 | L306 V308 V309 L348 S349 M350 Y355 | L306-T353 HydrophobicContact CD2-CG2 4.43Å; V308-T353 CarbonylContact O-C 3.47Å; V308-T353 VanDerWaalsContact O-CA 3.31Å; V308-T353 WeakPolarHBondContact O-CA 3.42Å; V309-T353 HydrophobicContact CG1-CG2 4.34Å; L348-T353 HydrophobicContact CD1-CG2 3.56Å; L348-T353 HydrophobicContact CG-CG2 4.07Å; S349-T353 WeakPolarHBondContact O-CG2 3.31Å; S349-T353 PolarHBondContact O-N 3.3Å; S349-T353 PolarHBondContact O-OG1 3.41Å; M350-T353 PolarHBondContact O-OG1 2.91Å; T353-Y355 WeakPolarHBondContact OG1-CE2 3.45Å; T353-Y355 PolarHBondContact OG1-OH 2.86Å |
| 354 | V | 90.4 | Very high | 91.4 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.7 | 173.6 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | S307 V308 | S307-V354 PolarHBondContact N-O 3.15Å; S307-V354 WeakPolarHBondContact OG-CG1 2.94Å; S307-V354 PolarHBondContact OG-O 3.34Å; V308-V354 HydrophobicContact CB-CB 4.13Å; V308-V354 HydrophobicContact CB-CG2 4.29Å; V308-V354 PolarHBondContact N-O 3.16Å; V308-V354 PolarHBondContact O-N 2.8Å |
| 355 | Y | 91.3 | Very high | 92 | Very high | 94 Ų | 94 | 60.2 Ų | 60.2 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 157 | 174.9 | -61.2 | -90.7 | 0 | 0 | 0 | 110.4 | P304 Q305 L306 M350 T353 | P304-Y355 HydrophobicContact CB-CD1 4.27Å; Q305-Y355 CarbonylContact O-C 3.56Å; Q305-Y355 VanDerWaalsContact O-CA 3.3Å; Q305-Y355 WeakPolarHBondContact O-CA 3.5Å; L306-Y355 HydrophobicContact CD2-CD1 3.85Å; L306-Y355 HydrophobicContact CD2-CE1 3.36Å; L306-Y355 HydrophobicContact CG-CE1 4.27Å; M350-Y355 WeakPolarHBondContact CE-OH 3.24Å; M350-Y355 PolarHBondContact SD-OH 3.47Å; T353-Y355 WeakPolarHBondContact OG1-CE2 3.45Å; T353-Y355 PolarHBondContact OG1-OH 2.86Å |
| 356 | R | 91.6 | Very high | 92.3 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 157.1 | 169.9 | 64.8 | 172.4 | 176.8 | -148.9 | -14.5 | 110.2 | P304 Q305 Q325 Q327 D385 | P304-R356 CarbonylContact C-O 3.58Å; Q305-R356 HydrophobicContact CB-CG 4.19Å; Q305-R356 PolarHBondContact N-O 3.49Å; Q305-R356 PolarHBondContact O-N 2.91Å; Q325-R356 PolarHBondContact O-NH2 2.97Å; Q327-R356 VanDerWaalsContact CG-NH2 3.33Å; Q327-R356 VanDerWaalsContact NE2-CZ 3.32Å; Q327-R356 VanDerWaalsContact NE2-NH2 3.16Å; R356-D385 WeakPolarHBondContact CB-OD1 3.49Å |
| 357 | N | 93.9 | Very high | 92.2 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 139.1 | 175.7 | -64.5 | -28.2 | 0 | 0 | 0 | 110.3 | V302 D385 V388 | V302-N357 HydrophobicContact CG1-CB 4.23Å; N357-D385 PolarHBondContact O-N 2.96Å; N357-D385 VanDerWaalsContact O-N 3.17Å; N357-V388 HydrophobicContact CB-CB 4.41Å; N357-V388 HydrophobicContact CB-CG2 3.87Å |
| 358 | Y | 94.4 | Very high | 92.1 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.9 | 178.6 | 173 | -87.2 | 0 | 0 | 0 | 109.6 | L303 Q305 R360 I382 L384 | L303-Y358 PolarHBondContact N-O 3.48Å; L303-Y358 WeakPolarHBondContact O-CA 3.49Å; L303-Y358 WeakPolarHBondContact O-CB 3.41Å; L303-Y358 PolarHBondContact O-N 3.4Å; Q305-Y358 HydrophobicContact CB-CG 4.37Å; Y358-R360 HydrophobicContact CE1-CB 4.09Å; Y358-I382 HydrophobicContact CD2-CG2 3.73Å; Y358-I382 HydrophobicContact CE2-CB 4.31Å; Y358-I382 HydrophobicContact CE2-CD1 3.97Å; Y358-I382 HydrophobicContact CE2-CG1 3.96Å; Y358-I382 HydrophobicContact CE2-CG2 3.37Å; Y358-L384 HydrophobicContact CD2-CD2 4.16Å |
| 359 | Q | 95 | Very high | 92 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 131 | 171.5 | -174.5 | 175.4 | 44.7 | 0 | 0 | 109.5 | S300 I361 L383 V388 D389 | S300-Q359 WeakPolarHBondContact O-CG 2.92Å; S300-Q359 PolarHBondContact O-NE2 3.36Å; Q359-I361 HydrophobicContact CG-CG2 4.36Å; Q359-L383 HydrophobicContact CB-CB 4.39Å; Q359-L383 PolarHBondContact N-O 3.35Å; Q359-L383 PolarHBondContact O-N 3.21Å; Q359-V388 HydrophobicContact CB-CB 4.38Å; Q359-V388 HydrophobicContact CB-CG1 3.86Å; Q359-V388 HydrophobicContact CB-CG2 3.95Å; Q359-D389 PolarHBondContact NE2-OD1 3.27Å |
| 360 | R | 95.3 | Very high | 92.1 | Very high | 114 Ų | 114 | 59.8 Ų | 59.8 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.1 | 171.6 | -175.3 | 175.4 | 175.6 | 173.7 | -0.8 | 109.7 | S300 Y358 D380 | S300-R360 PolarHBondContact N-O 2.79Å; S300-R360 WeakPolarHBondContact OG-CA 3.22Å; S300-R360 PolarHBondContact OG-N 2.87Å; S300-R360 PolarHBondContact OG-O 3.31Å; Y358-R360 HydrophobicContact CE1-CB 4.09Å; R360-D380 IonicContact CZ-OD2 3.71Å; R360-D380 IonicContact NE-OD2 3.67Å; R360-D380 IonicContact NH2-OD2 2.66Å; R360-D380 PolarHBondContact NH2-OD2 3.26Å |
| 361 | I | 96.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.2 | 174.8 | 64.3 | 166.1 | 0 | 0 | 0 | 110.1 | V296 S298 Q359 D380 A381 L383 I397 L399 | V296-I361 HydrophobicContact CG1-CB 4.34Å; V296-I361 HydrophobicContact CG2-CD1 4.45Å; S298-I361 WeakPolarHBondContact O-CA 3.26Å; Q359-I361 HydrophobicContact CG-CG2 4.36Å; I361-D380 WeakPolarHBondContact O-CA 3.32Å; I361-A381 HydrophobicContact CD1-CB 4.16Å; I361-A381 HydrophobicContact CG1-CB 3.82Å; I361-A381 WeakPolarHBondContact CG1-O 3.44Å; I361-A381 PolarHBondContact N-O 3.37Å; I361-A381 PolarHBondContact O-N 3.35Å; I361-L383 HydrophobicContact CD1-CD1 4.15Å; I361-L383 HydrophobicContact CD1-CD2 4.05Å; I361-L383 HydrophobicContact CD1-CG 4.19Å; I361-L383 HydrophobicContact CG1-CG 4.31Å; I361-L383 HydrophobicContact CG2-CD1 3.89Å; I361-L383 HydrophobicContact CG2-CG 4.29Å; I361-I397 HydrophobicContact CD1-CD1 3.97Å; I361-L399 HydrophobicContact CD1-CD1 4.19Å |
| 362 | T | 96.9 | Very high | 92.3 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 16% | 0.16 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 112.2 | 171.8 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | T297 S298 D380 | T297-T362 PolarHBondContact N-O 2.81Å; T297-T362 PolarHBondContact OG1-O 3.12Å; S298-T362 PolarHBondContact O-N 3.41Å; S298-T362 PolarHBondContact OG-OG1 3.42Å; T362-D380 PolarHBondContact OG1-OD1 3.14Å |
| 363 | L | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133.3 | 179 | -169.7 | 65.8 | 0 | 0 | 0 | 110 | L278 G294 V296 S378 K379 I397 L399 | L278-L363 HydrophobicContact CD1-CD2 4.06Å; L278-L363 HydrophobicContact CD1-CG 4.44Å; L278-L363 HydrophobicContact CD2-CB 4.27Å; L278-L363 HydrophobicContact CD2-CD2 4.23Å; L278-L363 HydrophobicContact CD2-CG 4.07Å; L278-L363 WeakPolarHBondContact CD2-O 3.28Å; G294-L363 VanDerWaalsContact C-CD1 3.42Å; V296-L363 HydrophobicContact CG2-CD1 4.37Å; L363-S378 CarbonylContact O-C 3.48Å; L363-S378 WeakPolarHBondContact O-CA 3.4Å; L363-S378 WeakPolarHBondContact O-CB 3.25Å; L363-K379 PolarHBondContact N-O 2.86Å; L363-K379 PolarHBondContact O-N 3.34Å; L363-I397 HydrophobicContact CD1-CD1 3.84Å; L363-I397 HydrophobicContact CD1-CG1 3.56Å; L363-L399 HydrophobicContact CD2-CB 4.48Å |
| 364 | Q | 95.5 | Very high | 92.6 | Very high | 61 Ų | 61 | 61.1 Ų | 61.1 | 29% | 0.285 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 150.2 | 176.7 | -172.8 | 174.4 | 24.5 | 0 | 0 | 110.7 | G294 V295 T297 S366 P376 | G294-Q364 CarbonylContact C-O 3.5Å; G294-Q364 WeakPolarHBondContact CA-O 3.31Å; V295-Q364 PolarHBondContact N-O 2.82Å; V295-Q364 PolarHBondContact O-N 2.77Å; T297-Q364 HydrophobicContact CG2-CB 3.48Å; T297-Q364 VanDerWaalsContact CG2-CB 3.48Å; T297-Q364 HydrophobicContact CG2-CG 4.3Å; Q364-S366 PolarHBondContact O-N 2.8Å; Q364-P376 HydrophobicContact CG-CB 3.95Å; Q364-P376 HydrophobicContact CG-CG 4.47Å |
| 365 | E | 94.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 64.7 Ų | 64.7 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | trans | -53.6 | 135 | 171.7 | -70.4 | 169.2 | -157.2 | 0 | 0 | 111.4 | L278 R279 V370 P376 R377 | L278-E365 HydrophobicContact CB-CG 3.82Å; R279-E365 VanDerWaalsContact CB-OE1 3.26Å; R279-E365 WeakPolarHBondContact CB-OE1 3.4Å; R279-E365 IonicContact CZ-OE1 3.82Å; R279-E365 IonicContact CZ-OE2 3.56Å; R279-E365 PolarHBondContact N-OE1 3.46Å; R279-E365 IonicContact NE-OE1 3.5Å; R279-E365 IonicContact NE-OE2 3.41Å; R279-E365 PolarHBondContact NE-OE2 3.46Å; R279-E365 IonicContact NH2-OE1 3.54Å; R279-E365 IonicContact NH2-OE2 2.82Å; R279-E365 PolarHBondContact NH2-OE2 3.2Å; E365-V370 HydrophobicContact CB-CG2 3.8Å; E365-P376 HydrophobicContact CB-CB 4.38Å; E365-R377 PolarHBondContact N-O 2.64Å; E365-R377 VanDerWaalsContact N-O 3.12Å; E365-R377 WeakPolarHBondContact OE1-CB 3.21Å; E365-R377 PolarHBondContact OE1-N 3.4Å | ||
| 366 | S | 92.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 5% | 0.049 | 37% | 0.369 | C | S | . | . | trans | -58.9 | 132.4 | 172.9 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | Q364 G368 K369 V370 | Q364-S366 PolarHBondContact O-N 2.8Å; S366-G368 PolarHBondContact O-N 3.4Å; S366-K369 PolarHBondContact O-N 3.33Å; S366-V370 WeakPolarHBondContact O-CG2 3.48Å; S366-V370 PolarHBondContact O-N 3.38Å | ||
| 367 | P | 89 | Confident | 93 | Very high | 104 Ų | 104 | 66.9 Ų | 66.9 | 68% | 0.675 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -58.1 | -30.1 | -171.3 | 22 | -33.5 | 0 | 0 | 0 | 113.4 | K369 | P367-K369 PolarHBondContact O-N 3.4Š|
| 368 | G | 88.2 | Confident | 93.1 | Very high | 80 Ų | 80 | 66.4 Ų | 66.4 | 83% | 0.825 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -71.9 | -21.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S366 | S366-G368 PolarHBondContact O-N 3.4Š|
| 369 | K | 88 | Confident | 93.1 | Very high | 103 Ų | 103 | 66.7 Ų | 66.7 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -92.3 | -12.2 | 177.4 | -75.3 | -172 | 163.8 | -161.4 | 0 | 113.3 | D277 S366 P367 | D277-K369 IonicContact OD1-NZ 3.89Å; D277-K369 PolarHBondContact OD1-NZ 3.13Å; S366-K369 PolarHBondContact O-N 3.33Å; P367-K369 PolarHBondContact O-N 3.4Å |
| 370 | V | 90.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 68.4 Ų | 68.4 | 17% | 0.17 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -71.3 | 129.9 | -175.6 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | E365 S366 A372 R374 P376 | E365-V370 HydrophobicContact CB-CG2 3.8Å; S366-V370 WeakPolarHBondContact O-CG2 3.48Å; S366-V370 PolarHBondContact O-N 3.38Å; V370-A372 PolarHBondContact O-N 3.15Å; V370-R374 WeakPolarHBondContact CG1-O 3.35Å; V370-P376 HydrophobicContact CG1-CB 4.42Å; V370-P376 HydrophobicContact CG2-CB 3.83Å |
| 371 | P | 91.2 | Very high | 93.1 | Very high | 54 Ų | 54 | 63 Ų | 63 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 132.6 | 174.7 | -23.7 | 32.9 | 0 | 0 | 0 | 111.5 | G373 R374 | P371-G373 PolarHBondContact O-N 2.72Å; P371-R374 HydrophobicContact CB-CB 4.47Å; P371-R374 HydrophobicContact CB-CG 4.45Å; P371-R374 PolarHBondContact O-N 2.93Å |
| 372 | A | 91.2 | Very high | 93 | Very high | 105 Ų | 105 | 63.6 Ų | 63.6 | 87% | 0.868 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 132.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V370 R374 | V370-A372 PolarHBondContact O-N 3.15Å; A372-R374 VanDerWaalsContact C-N 3.27Å; A372-R374 PolarHBondContact O-N 2.7Å |
| 373 | G | 90.2 | Very high | 93 | Very high | 92 Ų | 92 | 62.4 Ų | 62.4 | 95% | 0.948 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 1.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P371 | P371-G373 PolarHBondContact O-N 2.72Š|
| 374 | R | 93.2 | Very high | 92.8 | Very high | 163 Ų | 163 | 63.6 Ų | 63.6 | 62% | 0.615 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -103.5 | 148.9 | 173.1 | -66.7 | -170.3 | 174.2 | 176.1 | -2.6 | 111.4 | V370 P371 A372 | V370-R374 WeakPolarHBondContact CG1-O 3.35Å; P371-R374 HydrophobicContact CB-CB 4.47Å; P371-R374 HydrophobicContact CB-CG 4.45Å; P371-R374 PolarHBondContact O-N 2.93Å; A372-R374 VanDerWaalsContact C-N 3.27Å; A372-R374 PolarHBondContact O-N 2.7Å |
| 375 | L | 93.1 | Very high | 92.6 | Very high | 152 Ų | 152 | 62.3 Ų | 62.3 | 80% | 0.796 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 134.8 | 172.8 | -67.8 | 167.6 | 0 | 0 | 0 | 110.3 | R279 | R279-L375 PolarHBondContact NH2-O 3.48Š|
| 376 | P | 94.6 | Very high | 92.4 | Very high | 50 Ų | 50 | 64 Ų | 64 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 139.1 | 171.4 | 24.6 | -34 | 0 | 0 | 0 | 110.5 | Q364 E365 V370 | Q364-P376 HydrophobicContact CG-CB 3.95Å; Q364-P376 HydrophobicContact CG-CG 4.47Å; E365-P376 HydrophobicContact CB-CB 4.38Å; V370-P376 HydrophobicContact CG1-CB 4.42Å; V370-P376 HydrophobicContact CG2-CB 3.83Å |
| 377 | R | 94.2 | Very high | 92.4 | Very high | 129 Ų | 129 | 64.2 Ų | 64.2 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 151.2 | 172.7 | -58.4 | -171.4 | 172.2 | -143.7 | -4.2 | 110.3 | E365 | E365-R377 PolarHBondContact N-O 2.64Å; E365-R377 VanDerWaalsContact N-O 3.12Å; E365-R377 WeakPolarHBondContact OE1-CB 3.21Å; E365-R377 PolarHBondContact OE1-N 3.4Å |
| 378 | S | 94.6 | Very high | 92.7 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 153.9 | 171.9 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | L363 | L363-S378 CarbonylContact O-C 3.48Å; L363-S378 WeakPolarHBondContact O-CA 3.4Å; L363-S378 WeakPolarHBondContact O-CB 3.25Å |
| 379 | K | 94.8 | Very high | 92.9 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 21% | 0.213 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 146.4 | 173.7 | -72 | -63.8 | -170 | 171.3 | 0 | 109.1 | L278 L281 L363 Y403 T422 I424 | L278-K379 HydrophobicContact CD2-CB 4.08Å; L278-K379 HydrophobicContact CD2-CG 4.23Å; L281-K379 HydrophobicContact CD1-CG 4.41Å; L363-K379 PolarHBondContact N-O 2.86Å; L363-K379 PolarHBondContact O-N 3.34Å; K379-Y403 PolarHBondContact NZ-OH 3Å; K379-T422 PolarHBondContact NZ-OG1 3.31Å; K379-I424 HydrophobicContact CB-CD1 4.35Å |
| 380 | D | 95.1 | Very high | 93 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 20% | 0.198 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 139 | 175.2 | -62.2 | -35.4 | 0 | 0 | 0 | 109.9 | R360 I361 T362 I424 | R360-D380 IonicContact CZ-OD2 3.71Å; R360-D380 IonicContact NE-OD2 3.67Å; R360-D380 IonicContact NH2-OD2 2.66Å; R360-D380 PolarHBondContact NH2-OD2 3.26Å; I361-D380 WeakPolarHBondContact O-CA 3.32Å; T362-D380 PolarHBondContact OG1-OD1 3.14Å; D380-I424 PolarHBondContact O-N 2.86Å |
| 381 | A | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I361 L399 I424 | I361-A381 HydrophobicContact CD1-CB 4.16Å; I361-A381 HydrophobicContact CG1-CB 3.82Å; I361-A381 WeakPolarHBondContact CG1-O 3.44Å; I361-A381 PolarHBondContact N-O 3.37Å; I361-A381 PolarHBondContact O-N 3.35Å; A381-L399 HydrophobicContact CB-CD1 3.79Å; A381-I424 CarbonylContact C-O 3.55Å; A381-I424 WeakPolarHBondContact CA-O 3.25Å; A381-I424 HydrophobicContact CB-CB 4.07Å |
| 382 | I | 95.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 61 Ų | 61 | 8% | 0.077 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.3 | 177.3 | -66.3 | 168.2 | 0 | 0 | 0 | 107.9 | Y358 L384 V423 I424 L425 A426 | Y358-I382 HydrophobicContact CD2-CG2 3.73Å; Y358-I382 HydrophobicContact CE2-CB 4.31Å; Y358-I382 HydrophobicContact CE2-CD1 3.97Å; Y358-I382 HydrophobicContact CE2-CG1 3.96Å; Y358-I382 HydrophobicContact CE2-CG2 3.37Å; I382-L384 HydrophobicContact CG2-CD2 3.69Å; I382-L384 HydrophobicContact CG2-CG 4.06Å; I382-V423 HydrophobicContact CB-CG1 4.49Å; I382-V423 HydrophobicContact CD1-CG1 3.52Å; I382-V423 HydrophobicContact CG1-CG1 3.62Å; I382-I424 PolarHBondContact N-O 2.88Å; I382-L425 HydrophobicContact CB-CD2 3.98Å; I382-L425 HydrophobicContact CD1-CD2 3.85Å; I382-L425 HydrophobicContact CG1-CD2 4.41Å; I382-A426 WeakPolarHBondContact O-CB 3.5Å; I382-A426 PolarHBondContact O-N 2.93Å |
| 383 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 139.9 | 170.6 | -48.9 | -177 | 0 | 0 | 0 | 108.6 | Q359 I361 L387 V388 L399 A426 V429 | Q359-L383 HydrophobicContact CB-CB 4.39Å; Q359-L383 PolarHBondContact N-O 3.35Å; Q359-L383 PolarHBondContact O-N 3.21Å; I361-L383 HydrophobicContact CD1-CD1 4.15Å; I361-L383 HydrophobicContact CD1-CD2 4.05Å; I361-L383 HydrophobicContact CD1-CG 4.19Å; I361-L383 HydrophobicContact CG1-CG 4.31Å; I361-L383 HydrophobicContact CG2-CD1 3.89Å; I361-L383 HydrophobicContact CG2-CG 4.29Å; L383-L387 HydrophobicContact CB-CB 4.08Å; L383-L387 WeakPolarHBondContact CD1-O 3.17Å; L383-V388 HydrophobicContact CB-CG2 4.49Å; L383-L399 HydrophobicContact CD2-CD1 4.44Å; L383-A426 HydrophobicContact CD2-CB 3.37Å; L383-V429 HydrophobicContact CD2-CG2 3.73Å |
| 384 | L | 93.2 | Very high | 93.3 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.131 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 151.9 | -175.1 | -57.1 | 164.4 | 0 | 0 | 0 | 110 | Y358 I382 D386 L387 | Y358-L384 HydrophobicContact CD2-CD2 4.16Å; I382-L384 HydrophobicContact CG2-CD2 3.69Å; I382-L384 HydrophobicContact CG2-CG 4.06Å; L384-D386 PolarHBondContact O-N 2.81Å; L384-L387 WeakPolarHBondContact O-CB 3.03Å; L384-L387 PolarHBondContact O-N 3.47Å |
| 385 | D | 90.3 | Very high | 93.3 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | 55.5 | -114.4 | 170.3 | -60 | -57.2 | 0 | 0 | 0 | 112.9 | H266 R356 N357 | H266-D385 IonicContact NE2-OD2 3.69Å; R356-D385 WeakPolarHBondContact CB-OD1 3.49Å; N357-D385 PolarHBondContact O-N 2.96Å; N357-D385 VanDerWaalsContact O-N 3.17Å |
| 386 | D | 91 | Very high | 93.3 | Very high | 47 Ų | 47 | 47.4 Ų | 47.4 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -74.4 | -18.9 | 179.2 | 59.3 | -29.3 | 0 | 0 | 0 | 114.9 | H212 S213 R268 L384 V388 | H212-D386 WeakPolarHBondContact NE2-CB 3.26Å; H212-D386 IonicContact NE2-OD1 2.58Å; S213-D386 WeakPolarHBondContact CB-OD2 3.16Å; S213-D386 PolarHBondContact OG-OD2 2.95Å; R268-D386 IonicContact CZ-OD1 3.49Å; R268-D386 IonicContact NE-OD1 3.52Å; R268-D386 IonicContact NE-OD2 2.7Å; R268-D386 IonicContact NH2-OD1 3.3Å; R268-D386 PolarHBondContact NH2-OD1 3.4Å; R268-D386 IonicContact NH2-OD2 3.25Å; L384-D386 PolarHBondContact O-N 2.81Å; D386-V388 PolarHBondContact O-N 2.83Å |
| 387 | L | 93.2 | Very high | 93.3 | Very high | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -75.3 | -11 | -179.9 | -63.6 | 177.3 | 0 | 0 | 0 | 112.6 | L383 L384 S390 A426 N427 | L383-L387 HydrophobicContact CB-CB 4.08Å; L383-L387 WeakPolarHBondContact CD1-O 3.17Å; L384-L387 WeakPolarHBondContact O-CB 3.03Å; L384-L387 PolarHBondContact O-N 3.47Å; L387-S390 WeakPolarHBondContact O-CB 3.32Å; L387-S390 PolarHBondContact O-N 3.17Å; L387-S390 PolarHBondContact O-OG 3.38Å; L387-A426 HydrophobicContact CD1-CB 4.21Å; L387-N427 WeakPolarHBondContact CD1-O 3.42Å |
| 388 | V | 93.7 | Very high | 93.3 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 12% | 0.121 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 140.2 | 179.4 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | V302 N357 Q359 L383 D386 S390 | V302-V388 HydrophobicContact CB-CG1 3.95Å; V302-V388 HydrophobicContact CG1-CG1 3.67Å; V302-V388 HydrophobicContact CG2-CG1 3.21Å; N357-V388 HydrophobicContact CB-CB 4.41Å; N357-V388 HydrophobicContact CB-CG2 3.87Å; Q359-V388 HydrophobicContact CB-CB 4.38Å; Q359-V388 HydrophobicContact CB-CG1 3.86Å; Q359-V388 HydrophobicContact CB-CG2 3.95Å; L383-V388 HydrophobicContact CB-CG2 4.49Å; D386-V388 PolarHBondContact O-N 2.83Å; V388-S390 PolarHBondContact O-N 2.96Å |
| 389 | D | 92.1 | Very high | 93.3 | Very high | 109 Ų | 109 | 36.3 Ų | 36.3 | 58% | 0.583 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 16.6 | -173.8 | -69.7 | -23.1 | 0 | 0 | 0 | 115.1 | V302 Q359 C391 | V302-D389 VanDerWaalsContact CG2-OD2 3.31Å; V302-D389 WeakPolarHBondContact CG2-OD2 3.49Å; Q359-D389 PolarHBondContact NE2-OD1 3.27Å; D389-C391 VanDerWaalsContact C-N 3.3Å; D389-C391 PolarHBondContact O-N 3.35Å |
| 390 | S | 90.2 | Very high | 93.3 | Very high | 33 Ų | 33 | 34.2 Ų | 34.2 | 23% | 0.231 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -69.8 | -24.1 | 173.5 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | L387 V388 R431 | L387-S390 WeakPolarHBondContact O-CB 3.32Å; L387-S390 PolarHBondContact O-N 3.17Å; L387-S390 PolarHBondContact O-OG 3.38Å; V388-S390 PolarHBondContact O-N 2.96Å; S390-R431 WeakPolarHBondContact O-CD 3.34Å |
| 391 | C | 91.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.027 | 18% | 0.184 | C | C | . | . | trans | -132.1 | 150.3 | -177.4 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | V296 D389 I397 | V296-C391 HydrophobicContact CG2-CB 4.14Å; D389-C391 VanDerWaalsContact C-N 3.3Å; D389-C391 PolarHBondContact O-N 3.35Å; C391-I397 HydrophobicContact CB-CG2 3.99Å | ||
| 392 | K | 92.3 | Very high | 93.3 | Very high | 137 Ų | 137 | 33.1 Ų | 33.1 | 60% | 0.596 | 19% | 0.189 | S | C | * | . | trans | -114.4 | 153.6 | 176.1 | -63.5 | 176.5 | -176 | 175.6 | 0 | 110.5 | G394 D395 | K392-G394 PolarHBondContact O-N 2.88Å; K392-D395 PolarHBondContact N-OD2 2.69Å; K392-D395 WeakPolarHBondContact O-CB 3.42Å; K392-D395 PolarHBondContact O-N 2.92Å | ||
| 393 | P | 94.5 | Very high | 93.3 | Very high | 76 Ų | 76 | 32.9 Ų | 32.9 | 49% | 0.494 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 124.8 | 171.3 | -24.2 | 34.5 | 0 | 0 | 0 | 110.9 | V296 S299 | V296-P393 CarbonylContact O-C 3.39Å; V296-P393 WeakPolarHBondContact O-CA 3.34Å; S299-P393 WeakPolarHBondContact OG-CG 3.47Å |
| 394 | G | 92.4 | Very high | 93.2 | Very high | 53 Ų | 53 | 33.2 Ų | 33.2 | 55% | 0.546 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 107.5 | -20.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V296 K392 | V296-G394 PolarHBondContact O-N 3.25Å; K392-G394 PolarHBondContact O-N 2.88Å |
| 395 | D | 93.1 | Very high | 93 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | trans | -71.2 | 137.2 | -177.9 | -64.8 | -5.4 | 0 | 0 | 0 | 111 | V295 V296 K392 I397 | V295-D395 WeakPolarHBondContact CA-O 3.29Å; V296-D395 PolarHBondContact N-O 3.11Å; V296-D395 VanDerWaalsContact N-O 3.07Å; K392-D395 PolarHBondContact N-OD2 2.69Å; K392-D395 WeakPolarHBondContact O-CB 3.42Å; K392-D395 PolarHBondContact O-N 2.92Å; D395-I397 HydrophobicContact CB-CG2 4.18Å | ||
| 396 | E | 93 | Very high | 92.9 | Very high | 65 Ų | 65 | 35 Ų | 35 | 30% | 0.304 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 116 | 166.7 | -63.3 | -145 | 161.3 | 0 | 0 | 110.1 | V295 K432 | V295-E396 HydrophobicContact CG2-CG 4.18Å; E396-K432 HydrophobicContact CB-CB 4.34Å; E396-K432 HydrophobicContact CB-CD 4.11Å; E396-K432 HydrophobicContact CB-CG 4.38Å; E396-K432 PolarHBondContact O-N 3.4Å; E396-K432 IonicContact OE2-NZ 3.99Å; E396-K432 PolarHBondContact OE2-NZ 3.01Å |
| 397 | I | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 150.3 | -178.1 | 70.4 | 168.1 | 0 | 0 | 0 | 112.3 | C293 G294 V296 I361 L363 C391 D395 L399 V429 R431 | C293-I397 WeakPolarHBondContact CA-O 3.47Å; G294-I397 PolarHBondContact N-O 2.71Å; G294-I397 PolarHBondContact O-N 2.98Å; V296-I397 HydrophobicContact CG2-CD1 3.55Å; V296-I397 HydrophobicContact CG2-CG1 3.87Å; V296-I397 HydrophobicContact CG2-CG2 4.05Å; I361-I397 HydrophobicContact CD1-CD1 3.97Å; L363-I397 HydrophobicContact CD1-CD1 3.84Å; L363-I397 HydrophobicContact CD1-CG1 3.56Å; C391-I397 HydrophobicContact CB-CG2 3.99Å; D395-I397 HydrophobicContact CB-CG2 4.18Å; I397-L399 HydrophobicContact CD1-CB 4.4Å; I397-L399 HydrophobicContact CD1-CD1 4.2Å; I397-V429 HydrophobicContact CB-CG1 4.2Å; I397-V429 HydrophobicContact CD1-CG1 4.07Å; I397-V429 HydrophobicContact CG2-CG1 4.28Å; I397-R431 HydrophobicContact CG2-CG 4.09Å |
| 398 | E | 93.6 | Very high | 91.8 | Very high | 15 Ų | 15 | 42 Ų | 42 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 115.6 | 165 | -176.2 | 175.1 | 175.7 | 0 | 0 | 107.4 | R291 V430 K435 | R291-E398 WeakPolarHBondContact CD-OE1 3.03Å; R291-E398 HydrophobicContact CG-CG 4.04Å; R291-E398 IonicContact CZ-OE1 3.67Å; R291-E398 VanDerWaalsContact CZ-OE1 3.25Å; R291-E398 IonicContact NE-OE1 3.33Å; R291-E398 PolarHBondContact NE-OE1 2.98Å; R291-E398 IonicContact NH1-OE1 2.63Å; R291-E398 PolarHBondContact NH1-OE1 3.19Å; E398-V430 HydrophobicContact CB-CB 4.4Å; E398-V430 PolarHBondContact N-O 3.3Å; E398-V430 PolarHBondContact O-N 3.49Å; E398-K435 IonicContact OE2-NZ 3.79Å |
| 399 | L | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.2 | -173.2 | -176 | 138.8 | 0 | 0 | 0 | 109.4 | R291 T292 I361 L363 A381 L383 I397 I424 A426 V429 | R291-L399 WeakPolarHBondContact CA-O 3.47Å; T292-L399 PolarHBondContact N-O 2.83Å; T292-L399 PolarHBondContact O-N 2.89Å; I361-L399 HydrophobicContact CD1-CD1 4.19Å; L363-L399 HydrophobicContact CD2-CB 4.48Å; A381-L399 HydrophobicContact CB-CD1 3.79Å; L383-L399 HydrophobicContact CD2-CD1 4.44Å; I397-L399 HydrophobicContact CD1-CB 4.4Å; I397-L399 HydrophobicContact CD1-CD1 4.2Å; L399-I424 HydrophobicContact CD2-CB 4.23Å; L399-I424 HydrophobicContact CD2-CD1 4.47Å; L399-I424 HydrophobicContact CD2-CG2 3.41Å; L399-I424 VanDerWaalsContact CD2-CG2 3.41Å; L399-A426 HydrophobicContact CD1-CB 3.97Å; L399-A426 HydrophobicContact CG-CB 4.28Å; L399-V429 HydrophobicContact CD1-CG2 4.26Å |
| 400 | T | 95.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.2 | 169.2 | -56.3 | 0 | 0 | 0 | 0 | 108 | L289 I290 N427 N428 | L289-T400 HydrophobicContact CD1-CG2 4.14Å; L289-T400 HydrophobicContact CD2-CG2 4.26Å; L289-T400 HydrophobicContact CG-CG2 4.13Å; I290-T400 CarbonylContact O-C 3.48Å; I290-T400 WeakPolarHBondContact O-CA 3.44Å; T400-N427 WeakPolarHBondContact O-CA 3.5Å; T400-N427 PolarHBondContact O-N 2.62Å; T400-N428 PolarHBondContact N-O 3.32Å; T400-N428 PolarHBondContact O-N 3.21Å |
| 401 | G | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 173.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I290 L425 | I290-G401 VanDerWaalsContact CG1-O 3.25Å; I290-G401 WeakPolarHBondContact CG1-O 3.48Å; I290-G401 PolarHBondContact N-O 3.36Å; I290-G401 PolarHBondContact O-N 3.33Å; G401-L425 CarbonylContact C-O 3.55Å; G401-L425 WeakPolarHBondContact CA-O 3.08Å |
| 402 | V | 95.5 | Very high | 89.5 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.7 | 179.9 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | P236 Q288 L289 T404 I424 L425 | P236-V402 HydrophobicContact CB-CG2 3.72Å; P236-V402 HydrophobicContact CG-CB 4.37Å; P236-V402 HydrophobicContact CG-CG1 3.92Å; P236-V402 HydrophobicContact CG-CG2 3.57Å; Q288-V402 WeakPolarHBondContact O-CA 3.32Å; L289-V402 HydrophobicContact CD1-CG2 4.05Å; V402-T404 HydrophobicContact CB-CG2 4.36Å; V402-T404 HydrophobicContact CG1-CG2 3.92Å; V402-T404 PolarHBondContact O-N 2.94Å; V402-I424 WeakPolarHBondContact O-CA 3.45Å; V402-L425 PolarHBondContact N-O 3.33Å; V402-L425 PolarHBondContact O-N 2.86Å |
| 403 | Y | 95.2 | Very high | 89.2 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 102 | 178 | -175.6 | -118.8 | 0 | 0 | 0 | 110.7 | L281 H285 L286 N287 Q288 I290 K379 T422 I424 | L281-Y403 HydrophobicContact CB-CE2 4.5Å; L281-Y403 HydrophobicContact CD1-CD2 4.35Å; L281-Y403 HydrophobicContact CD1-CE2 4.18Å; H285-Y403 HydrophobicContact CB-CD1 4.21Å; H285-Y403 WeakPolarHBondContact O-CB 3.31Å; L286-Y403 HydrophobicContact CD2-CD1 3.82Å; L286-Y403 HydrophobicContact CD2-CE1 3.73Å; L286-Y403 HydrophobicContact CG-CD1 4.39Å; L286-Y403 HydrophobicContact CG-CE1 4.37Å; N287-Y403 PolarHBondContact N-O 3Å; Q288-Y403 PolarHBondContact O-N 2.7Å; I290-Y403 HydrophobicContact CD1-CD2 4.37Å; I290-Y403 HydrophobicContact CD1-CG 4.36Å; K379-Y403 PolarHBondContact NZ-OH 3Å; Y403-T422 HydrophobicContact CE1-CG2 4.48Å; Y403-T422 HydrophobicContact CE2-CG2 4.4Å; Y403-T422 VanDerWaalsContact OH-CB 3.32Å; Y403-T422 WeakPolarHBondContact OH-CB 3.42Å; Y403-T422 VanDerWaalsContact OH-CG2 3.26Å; Y403-T422 WeakPolarHBondContact OH-CG2 3.41Å; Y403-T422 PolarHBondContact OH-OG1 3.41Å; Y403-I424 HydrophobicContact CD2-CG1 3.91Å |
| 404 | T | 91.9 | Very high | 88.8 | Confident | 8 Ų | 8 | 45 Ų | 45 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 164.8 | -175.7 | 65.8 | 0 | 0 | 0 | 0 | 112 | V402 T422 V423 L425 | V402-T404 HydrophobicContact CB-CG2 4.36Å; V402-T404 HydrophobicContact CG1-CG2 3.92Å; V402-T404 PolarHBondContact O-N 2.94Å; T404-T422 WeakPolarHBondContact O-CA 3.5Å; T404-V423 WeakPolarHBondContact CA-O 3.44Å; T404-V423 PolarHBondContact N-O 2.8Å; T404-V423 PolarHBondContact O-N 2.93Å; T404-V423 VanDerWaalsContact O-O 3.11Å; T404-V423 PolarHBondContact OG1-O 2.86Å; T404-L425 HydrophobicContact CG2-CD1 3.72Å; T404-L425 HydrophobicContact CG2-CG 3.84Å |
| 405 | H | 90.6 | Very high | 88.4 | Confident | 60 Ų | 60 | 47.7 Ų | 47.7 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 148.5 | 173.8 | 67.5 | -73.9 | 0 | 0 | 0 | 110.1 | L286 T328 F420 A421 | L286-H405 HydrophobicContact CD2-CB 4.01Å; T328-H405 WeakPolarHBondContact CG2-O 3.47Å; H405-F420 HydrophobicContact CB-CB 4.18Å; H405-F420 AromaticContact CD2-CD1 3.68Å; H405-F420 AromaticContact CD2-CG 3.96Å; H405-A421 CarbonylContact C-O 3.59Å; H405-A421 WeakPolarHBondContact CA-O 3.38Å |
| 406 | S | 86.4 | Confident | 87.8 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.2 | 176.3 | 61.5 | 0 | 0 | 0 | 0 | 109.9 | D408 A421 | S406-D408 PolarHBondContact O-N 2.86Å; S406-A421 PolarHBondContact N-O 3.32Å; S406-A421 PolarHBondContact O-N 3.04Å |
| 407 | Y | 82.1 | Confident | 87.3 | Confident | 150 Ų | 150 | 53.5 Ų | 53.5 | 59% | 0.588 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 118.7 | 173.7 | -177.3 | -96.2 | 0 | 0 | 0 | 109.7 | N412 F420 | Y407-N412 WeakPolarHBondContact CE2-ND2 3.5Å; Y407-N412 PolarHBondContact OH-ND2 3Å; Y407-F420 HydrophobicContact CD2-CD1 4.21Å; Y407-F420 AromaticContact CD2-CE1 3.68Å; Y407-F420 HydrophobicContact CD2-CE1 3.68Å; Y407-F420 HydrophobicContact CD2-CZ 4.05Å; Y407-F420 HydrophobicContact CG-CE1 4.26Å |
| 408 | D | 80.2 | Confident | 86.8 | Confident | 57 Ų | 57 | 58.3 Ų | 58.3 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | trans | -115.4 | 110.4 | 172.4 | -176.4 | -6.8 | 0 | 0 | 0 | 108.9 | S406 S410 L411 A421 | S406-D408 PolarHBondContact O-N 2.86Å; D408-S410 PolarHBondContact O-N 3.03Å; D408-S410 VanDerWaalsContact OD1-CB 3.29Å; D408-S410 WeakPolarHBondContact OD1-CB 3.42Å; D408-S410 PolarHBondContact OD1-N 3.44Å; D408-S410 PolarHBondContact OD1-OG 3.41Å; D408-S410 PolarHBondContact OD2-OG 3.22Å; D408-S410 VanDerWaalsContact OD2-OG 3.06Å; D408-L411 HydrophobicContact CB-CB 4.44Å; D408-L411 HydrophobicContact CB-CD1 4.01Å; D408-L411 HydrophobicContact CB-CG 4.07Å; D408-L411 PolarHBondContact O-N 2.81Å; D408-A421 HydrophobicContact CB-CB 4.35Å | ||
| 409 | G | 78.3 | Confident | 86.3 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.6 | -27.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N412 T413 | G409-N412 PolarHBondContact O-N 2.85Å; G409-T413 PolarHBondContact O-N 3.34Å; G409-T413 PolarHBondContact O-OG1 3.14Å |
| 410 | S | 82.3 | Confident | 85.9 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -72.5 | -30.5 | -178.3 | 79.2 | 0 | 0 | 0 | 0 | 113.1 | D408 K414 | D408-S410 PolarHBondContact O-N 3.03Å; D408-S410 VanDerWaalsContact OD1-CB 3.29Å; D408-S410 WeakPolarHBondContact OD1-CB 3.42Å; D408-S410 PolarHBondContact OD1-N 3.44Å; D408-S410 PolarHBondContact OD1-OG 3.41Å; D408-S410 PolarHBondContact OD2-OG 3.22Å; D408-S410 VanDerWaalsContact OD2-OG 3.06Å; S410-K414 WeakPolarHBondContact O-CG 3.15Å; S410-K414 PolarHBondContact O-N 3.07Å |
| 411 | L | 80.4 | Confident | 85.6 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 20% | 0.204 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.5 | -37.2 | 176.2 | -68.8 | 179.5 | 0 | 0 | 0 | 111.2 | D408 T413 K414 H415 V419 A421 | D408-L411 HydrophobicContact CB-CB 4.44Å; D408-L411 HydrophobicContact CB-CD1 4.01Å; D408-L411 HydrophobicContact CB-CG 4.07Å; D408-L411 PolarHBondContact O-N 2.81Å; L411-T413 PolarHBondContact O-N 2.97Å; L411-K414 PolarHBondContact O-N 2.88Å; L411-H415 PolarHBondContact O-CD2 2.93Å; L411-H415 VanDerWaalsContact O-CD2 3.25Å; L411-H415 PolarHBondContact O-N 2.88Å; L411-V419 HydrophobicContact CB-CB 4.47Å; L411-A421 HydrophobicContact CD1-CB 3.81Å |
| 412 | N | 78.7 | Confident | 85.4 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 179.1 | -66.1 | -14.4 | 0 | 0 | 0 | 112.1 | Y407 G409 K414 G416 F417 P418 V419 | Y407-N412 WeakPolarHBondContact CE2-ND2 3.5Å; Y407-N412 PolarHBondContact OH-ND2 3Å; G409-N412 PolarHBondContact O-N 2.85Å; N412-K414 VanDerWaalsContact C-N 3.31Å; N412-K414 PolarHBondContact O-N 3.49Å; N412-G416 WeakPolarHBondContact O-CA 3.46Å; N412-G416 PolarHBondContact O-N 3.49Å; N412-F417 PolarHBondContact OD1-O 2.87Å; N412-P418 VanDerWaalsContact OD1-CA 3.29Å; N412-P418 WeakPolarHBondContact OD1-CA 3.28Å; N412-V419 PolarHBondContact OD1-N 3.47Å; N412-V419 PolarHBondContact OD1-O 2.88Å; N412-V419 VanDerWaalsContact OD1-O 3.14Å |
| 413 | T | 84.2 | Confident | 85.3 | Confident | 125 Ų | 125 | 67.6 Ų | 67.6 | 77% | 0.767 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.1 | -37.1 | 177 | -48.9 | 0 | 0 | 0 | 0 | 112 | G409 L411 | G409-T413 PolarHBondContact O-N 3.34Å; G409-T413 PolarHBondContact O-OG1 3.14Å; L411-T413 PolarHBondContact O-N 2.97Å |
| 414 | K | 86.1 | Confident | 85.4 | Confident | 163 Ų | 163 | 67.2 Ų | 67.2 | 71% | 0.709 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74.9 | -39.1 | -179.1 | -71.4 | 175.3 | -177 | 173.8 | 0 | 112.9 | S410 L411 N412 | S410-K414 WeakPolarHBondContact O-CG 3.15Å; S410-K414 PolarHBondContact O-N 3.07Å; L411-K414 PolarHBondContact O-N 2.88Å; N412-K414 VanDerWaalsContact C-N 3.31Å; N412-K414 PolarHBondContact O-N 3.49Å |
| 415 | H | 85.8 | Confident | 85.5 | Confident | 109 Ų | 109 | 68.5 Ų | 68.5 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -93.9 | -18.9 | -174.3 | -68.6 | -64.4 | 0 | 0 | 0 | 113.8 | L411 F417 V419 | L411-H415 PolarHBondContact O-CD2 2.93Å; L411-H415 VanDerWaalsContact O-CD2 3.25Å; L411-H415 PolarHBondContact O-N 2.88Å; H415-F417 WeakPolarHBondContact O-CD2 3.13Å; H415-F417 PolarHBondContact O-N 3.16Å; H415-V419 HydrophobicContact CB-CG2 3.95Å |
| 416 | G | 80.2 | Confident | 85.8 | Confident | 62 Ų | 62 | 66 Ų | 66 | 64% | 0.639 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 74.1 | 5.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N412 | N412-G416 WeakPolarHBondContact O-CA 3.46Å; N412-G416 PolarHBondContact O-N 3.49Å |
| 417 | F | 81.1 | Confident | 86.2 | Confident | 157 Ų | 157 | 65 Ų | 65 | 69% | 0.689 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -135.7 | 154.1 | 178.1 | -65.3 | -79.6 | 0 | 0 | 0 | 109.4 | N412 H415 V419 | N412-F417 PolarHBondContact OD1-O 2.87Å; H415-F417 WeakPolarHBondContact O-CD2 3.13Å; H415-F417 PolarHBondContact O-N 3.16Å; F417-V419 PolarHBondContact O-N 3.45Å |
| 418 | P | 83.1 | Confident | 86.8 | Confident | 100 Ų | 100 | 58 Ų | 58 | 65% | 0.649 | 33% | 0.333 | S | S | * | . | trans | -67.6 | 96.4 | 176.9 | 28 | -33.9 | 0 | 0 | 0 | 110.6 | N412 | N412-P418 VanDerWaalsContact OD1-CA 3.29Å; N412-P418 WeakPolarHBondContact OD1-CA 3.28Å | ||
| 419 | V | 85.1 | Confident | 87.5 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 32% | 0.321 | 32% | 0.324 | S | S | . | . | trans | -109 | 123.5 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | L411 N412 H415 F417 | L411-V419 HydrophobicContact CB-CB 4.47Å; N412-V419 PolarHBondContact OD1-N 3.47Å; N412-V419 PolarHBondContact OD1-O 2.88Å; N412-V419 VanDerWaalsContact OD1-O 3.14Å; H415-V419 HydrophobicContact CB-CG2 3.95Å; F417-V419 PolarHBondContact O-N 3.45Å | ||
| 420 | F | 85.7 | Confident | 88.1 | Confident | 95 Ų | 95 | 56.8 Ų | 56.8 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.2 | 174.6 | -65.2 | -98.4 | 0 | 0 | 0 | 110.3 | H405 Y407 | H405-F420 HydrophobicContact CB-CB 4.18Å; H405-F420 AromaticContact CD2-CD1 3.68Å; H405-F420 AromaticContact CD2-CG 3.96Å; Y407-F420 HydrophobicContact CD2-CD1 4.21Å; Y407-F420 AromaticContact CD2-CE1 3.68Å; Y407-F420 HydrophobicContact CD2-CE1 3.68Å; Y407-F420 HydrophobicContact CD2-CZ 4.05Å; Y407-F420 HydrophobicContact CG-CE1 4.26Å |
| 421 | A | 89.3 | Confident | 88.5 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 147.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | H405 S406 D408 L411 | H405-A421 CarbonylContact C-O 3.59Å; H405-A421 WeakPolarHBondContact CA-O 3.38Å; S406-A421 PolarHBondContact N-O 3.32Å; S406-A421 PolarHBondContact O-N 3.04Å; D408-A421 HydrophobicContact CB-CB 4.35Å; L411-A421 HydrophobicContact CD1-CB 3.81Å |
| 422 | T | 91.9 | Very high | 88.6 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 24% | 0.239 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.2 | -179 | 63.2 | 0 | 0 | 0 | 0 | 109.7 | K379 Y403 T404 | K379-T422 PolarHBondContact NZ-OG1 3.31Å; Y403-T422 HydrophobicContact CE1-CG2 4.48Å; Y403-T422 HydrophobicContact CE2-CG2 4.4Å; Y403-T422 VanDerWaalsContact OH-CB 3.32Å; Y403-T422 WeakPolarHBondContact OH-CB 3.42Å; Y403-T422 VanDerWaalsContact OH-CG2 3.26Å; Y403-T422 WeakPolarHBondContact OH-CG2 3.41Å; Y403-T422 PolarHBondContact OH-OG1 3.41Å; T404-T422 WeakPolarHBondContact O-CA 3.5Å |
| 423 | V | 93.9 | Very high | 88.5 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 140.1 | -178 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | I382 T404 | I382-V423 HydrophobicContact CB-CG1 4.49Å; I382-V423 HydrophobicContact CD1-CG1 3.52Å; I382-V423 HydrophobicContact CG1-CG1 3.62Å; T404-V423 WeakPolarHBondContact CA-O 3.44Å; T404-V423 PolarHBondContact N-O 2.8Å; T404-V423 PolarHBondContact O-N 2.93Å; T404-V423 VanDerWaalsContact O-O 3.11Å; T404-V423 PolarHBondContact OG1-O 2.86Å |
| 424 | I | 95.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121 | 175.6 | -53 | 167.1 | 0 | 0 | 0 | 108.7 | L281 I290 K379 D380 A381 I382 L399 V402 Y403 A426 | L281-I424 HydrophobicContact CD1-CD1 4.28Å; I290-I424 HydrophobicContact CD1-CD1 4.07Å; I290-I424 HydrophobicContact CD1-CG1 4.17Å; I290-I424 HydrophobicContact CD1-CG2 4.35Å; K379-I424 HydrophobicContact CB-CD1 4.35Å; D380-I424 PolarHBondContact O-N 2.86Å; A381-I424 CarbonylContact C-O 3.55Å; A381-I424 WeakPolarHBondContact CA-O 3.25Å; A381-I424 HydrophobicContact CB-CB 4.07Å; I382-I424 PolarHBondContact N-O 2.88Å; L399-I424 HydrophobicContact CD2-CB 4.23Å; L399-I424 HydrophobicContact CD2-CD1 4.47Å; L399-I424 HydrophobicContact CD2-CG2 3.41Å; L399-I424 VanDerWaalsContact CD2-CG2 3.41Å; V402-I424 WeakPolarHBondContact O-CA 3.45Å; Y403-I424 HydrophobicContact CD2-CG1 3.91Å; I424-A426 PolarHBondContact O-N 3.01Å |
| 425 | L | 95.1 | Very high | 86.4 | Confident | 35 Ų | 35 | 58.9 Ų | 58.9 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 109.8 | 170.8 | -59.5 | -172.2 | 0 | 0 | 0 | 108.1 | I382 G401 V402 T404 N427 | I382-L425 HydrophobicContact CB-CD2 3.98Å; I382-L425 HydrophobicContact CD1-CD2 3.85Å; I382-L425 HydrophobicContact CG1-CD2 4.41Å; G401-L425 CarbonylContact C-O 3.55Å; G401-L425 WeakPolarHBondContact CA-O 3.08Å; V402-L425 PolarHBondContact N-O 3.33Å; V402-L425 PolarHBondContact O-N 2.86Å; T404-L425 HydrophobicContact CG2-CD1 3.72Å; T404-L425 HydrophobicContact CG2-CG 3.84Å; L425-N427 PolarHBondContact O-N 3.4Å |
| 426 | A | 96.2 | Very high | 84.8 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 7% | 0.066 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 128.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I382 L383 L387 L399 I424 V429 | I382-A426 WeakPolarHBondContact O-CB 3.5Å; I382-A426 PolarHBondContact O-N 2.93Å; L383-A426 HydrophobicContact CD2-CB 3.37Å; L387-A426 HydrophobicContact CD1-CB 4.21Å; L399-A426 HydrophobicContact CD1-CB 3.97Å; L399-A426 HydrophobicContact CG-CB 4.28Å; I424-A426 PolarHBondContact O-N 3.01Å; A426-V429 HydrophobicContact CB-CG2 4.36Å |
| 427 | N | 95.3 | Very high | 83.5 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -37.9 | 165.8 | -173.2 | 34.8 | 0 | 0 | 0 | 111 | L240 V267 R268 I269 L387 T400 L425 | L240-N427 HydrophobicContact CD1-CB 4.42Å; V267-N427 PolarHBondContact O-ND2 3.18Å; V267-N427 VanDerWaalsContact O-ND2 3.16Å; V267-N427 PolarHBondContact O-OD1 2.82Å; V267-N427 VanDerWaalsContact O-OD1 3.13Å; R268-N427 WeakPolarHBondContact CD-O 3.46Å; R268-N427 PolarHBondContact NE-O 2.79Å; R268-N427 PolarHBondContact NH1-O 2.85Å; R268-N427 PolarHBondContact NH1-OD1 2.79Å; I269-N427 PolarHBondContact N-ND2 3.23Å; L387-N427 WeakPolarHBondContact CD1-O 3.42Å; T400-N427 WeakPolarHBondContact O-CA 3.5Å; T400-N427 PolarHBondContact O-N 2.62Å; L425-N427 PolarHBondContact O-N 3.4Å |
| 428 | N | 94.7 | Very high | 82.1 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 145.1 | -178.2 | -177.8 | 40 | 0 | 0 | 0 | 110.9 | R268 I269 N270 T400 | R268-N428 HydrophobicContact CB-CB 4.23Å; I269-N428 WeakPolarHBondContact O-CB 3.5Å; I269-N428 PolarHBondContact O-ND2 3.26Å; N270-N428 PolarHBondContact OD1-ND2 3.35Å; T400-N428 PolarHBondContact N-O 3.32Å; T400-N428 PolarHBondContact O-N 3.21Å |
| 429 | V | 94.1 | Very high | 81 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 119.6 | -179.4 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | L383 I397 L399 A426 | L383-V429 HydrophobicContact CD2-CG2 3.73Å; I397-V429 HydrophobicContact CB-CG1 4.2Å; I397-V429 HydrophobicContact CD1-CG1 4.07Å; I397-V429 HydrophobicContact CG2-CG1 4.28Å; L399-V429 HydrophobicContact CD1-CG2 4.26Å; A426-V429 HydrophobicContact CB-CG2 4.36Å |
| 430 | V | 91.6 | Very high | 79.8 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.4 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 108 | E398 | E398-V430 HydrophobicContact CB-CB 4.4Å; E398-V430 PolarHBondContact N-O 3.3Å; E398-V430 PolarHBondContact O-N 3.49Å |
| 431 | R | 90.8 | Very high | 79 | Confident | 74 Ų | 74 | 58.2 Ų | 58.2 | 28% | 0.279 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.6 | 171.7 | -63.8 | -176.7 | -68.4 | 179.5 | 3.4 | 108.6 | S390 I397 D433 D434 | S390-R431 WeakPolarHBondContact O-CD 3.34Å; I397-R431 HydrophobicContact CG2-CG 4.09Å; R431-D433 VanDerWaalsContact C-N 3.26Å; R431-D433 PolarHBondContact O-N 3.39Å; R431-D434 HydrophobicContact CB-CB 4.12Å; R431-D434 IonicContact CZ-OD1 3.86Å; R431-D434 IonicContact CZ-OD2 3.21Å; R431-D434 VanDerWaalsContact NE-CG 3.32Å; R431-D434 IonicContact NE-OD1 2.7Å; R431-D434 PolarHBondContact NE-OD1 2.72Å; R431-D434 IonicContact NE-OD2 3.75Å; R431-D434 PolarHBondContact NE-OD2 2.85Å; R431-D434 IonicContact NH2-OD1 3.08Å; R431-D434 PolarHBondContact NH2-OD1 3.22Å; R431-D434 IonicContact NH2-OD2 3.68Å; R431-D434 PolarHBondContact NH2-OD2 3.31Å; R431-D434 PolarHBondContact O-N 2.81Å |
| 432 | K | 82.9 | Confident | 78.3 | Confident | 72 Ų | 72 | 60.3 Ų | 60.3 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -65.7 | -34.2 | 178 | -70.5 | -170.3 | -168.3 | 163.3 | 0 | 112.2 | E396 D434 K435 | E396-K432 HydrophobicContact CB-CB 4.34Å; E396-K432 HydrophobicContact CB-CD 4.11Å; E396-K432 HydrophobicContact CB-CG 4.38Å; E396-K432 PolarHBondContact O-N 3.4Å; E396-K432 IonicContact OE2-NZ 3.99Å; E396-K432 PolarHBondContact OE2-NZ 3.01Å; K432-D434 PolarHBondContact O-N 2.89Å; K432-K435 PolarHBondContact O-N 3.22Å |
| 433 | D | 75.6 | Confident | 77.7 | Confident | 107 Ų | 107 | 63.7 Ų | 63.7 | 57% | 0.572 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -66.4 | -28.5 | 178.9 | -60.8 | -25.2 | 0 | 0 | 0 | 111.9 | R431 K435 V436 | R431-D433 VanDerWaalsContact C-N 3.26Å; R431-D433 PolarHBondContact O-N 3.39Å; D433-K435 PolarHBondContact O-N 3.31Å; D433-V436 PolarHBondContact O-N 3.23Å |
| 434 | D | 68.4 | Low | 77.2 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 34% | 0.342 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -71.7 | -14.5 | 178.5 | -77.3 | -8.6 | 0 | 0 | 0 | 113.4 | R431 K432 V436 A437 | R431-D434 HydrophobicContact CB-CB 4.12Å; R431-D434 IonicContact CZ-OD1 3.86Å; R431-D434 IonicContact CZ-OD2 3.21Å; R431-D434 VanDerWaalsContact NE-CG 3.32Å; R431-D434 IonicContact NE-OD1 2.7Å; R431-D434 PolarHBondContact NE-OD1 2.72Å; R431-D434 IonicContact NE-OD2 3.75Å; R431-D434 PolarHBondContact NE-OD2 2.85Å; R431-D434 IonicContact NH2-OD1 3.08Å; R431-D434 PolarHBondContact NH2-OD1 3.22Å; R431-D434 IonicContact NH2-OD2 3.68Å; R431-D434 PolarHBondContact NH2-OD2 3.31Å; R431-D434 PolarHBondContact O-N 2.81Å; K432-D434 PolarHBondContact O-N 2.89Å; D434-V436 PolarHBondContact O-N 3.06Å; D434-A437 WeakPolarHBondContact O-CB 3.45Å; D434-A437 PolarHBondContact O-N 2.78Å |
| 435 | K | 57.9 | Low | 76.7 | Confident | 134 Ų | 134 | 69.6 Ų | 69.6 | 58% | 0.583 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -61.7 | -13.6 | 173.9 | -65 | -171.1 | -178.4 | -174.2 | 0 | 112.2 | E398 K432 D433 | E398-K435 IonicContact OE2-NZ 3.79Å; K432-K435 PolarHBondContact O-N 3.22Å; D433-K435 PolarHBondContact O-N 3.31Å |
| 436 | V | 52.5 | Low | 76.3 | Confident | 130 Ų | 130 | 70.7 Ų | 70.7 | 79% | 0.788 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -93.7 | -15.4 | 173.9 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | D433 D434 V438 | D433-V436 PolarHBondContact O-N 3.23Å; D434-V436 PolarHBondContact O-N 3.06Å; V436-V438 PolarHBondContact O-N 2.92Å |
| 437 | A | 52.8 | Low | 76 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 44% | 0.438 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -83.1 | 104.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D434 G439 | D434-A437 WeakPolarHBondContact O-CB 3.45Å; D434-A437 PolarHBondContact O-N 2.78Å; A437-G439 PolarHBondContact O-N 3.15Å |
| 438 | V | 52.9 | Low | 75.7 | Confident | 114 Ų | 114 | 78.3 Ų | 78.3 | 69% | 0.691 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 18.5 | -30.6 | 147.8 | -174.3 | 0 | 0 | 0 | 0 | 120.6 | V436 T440 L441 | V436-V438 PolarHBondContact O-N 2.92Å; V438-T440 VanDerWaalsContact C-N 3.31Å; V438-T440 PolarHBondContact O-N 2.86Å; V438-L441 HydrophobicContact CB-CD1 4.27Å; V438-L441 HydrophobicContact CG1-CD1 3.9Å; V438-L441 PolarHBondContact O-N 2.98Å |
| 439 | G | 58 | Low | 75.5 | Confident | 67 Ų | 67 | 82.5 Ų | 82.5 | 69% | 0.691 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -15.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | A437 | A437-G439 PolarHBondContact O-N 3.15Š|
| 440 | T | 61.6 | Low | 75.4 | Confident | 125 Ų | 125 | 86 Ų | 86 | 77% | 0.767 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 10 | 175.3 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | V438 T442 | V438-T440 VanDerWaalsContact C-N 3.31Å; V438-T440 PolarHBondContact O-N 2.86Å; T440-T442 PolarHBondContact O-N 3.4Å; T440-T442 VanDerWaalsContact O-N 3.12Å |
| 441 | L | 68.7 | Low | 75.5 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 39% | 0.387 | 50% | 0.501 | S | S | . | . | trans | -61.3 | 119.4 | 174.1 | -77.9 | 162.1 | 0 | 0 | 0 | 108.8 | V438 D445 I449 | V438-L441 HydrophobicContact CB-CD1 4.27Å; V438-L441 HydrophobicContact CG1-CD1 3.9Å; V438-L441 PolarHBondContact O-N 2.98Å; L441-D445 HydrophobicContact CB-CB 4.48Å; L441-D445 HydrophobicContact CD2-CB 3.66Å; L441-I449 HydrophobicContact CD2-CD1 3.96Å | ||
| 442 | T | 73.2 | Confident | 75.5 | Confident | 67 Ų | 67 | 92 Ų | 92 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | trans | -68.8 | 160 | 173.8 | 65 | 0 | 0 | 0 | 0 | 109.7 | T440 E444 D445 T446 | T440-T442 PolarHBondContact O-N 3.4Å; T440-T442 VanDerWaalsContact O-N 3.12Å; T442-E444 PolarHBondContact O-N 2.85Å; T442-E444 VanDerWaalsContact O-N 3.15Å; T442-D445 WeakPolarHBondContact CB-OD2 3.41Å; T442-D445 PolarHBondContact N-OD2 2.88Å; T442-D445 PolarHBondContact O-N 3.07Å; T442-D445 VanDerWaalsContact O-N 3.11Å; T442-D445 PolarHBondContact OG1-N 2.92Å; T442-D445 PolarHBondContact OG1-OD2 2.95Å; T442-T446 PolarHBondContact O-N 2.81Å; T442-T446 PolarHBondContact O-OG1 2.98Å | ||
| 443 | D | 79.9 | Confident | 75.9 | Confident | 110 Ų | 110 | 92 Ų | 92 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.1 | -27.5 | 172.1 | -73.5 | -13.3 | 0 | 0 | 0 | 111.8 | R447 | D443-R447 WeakPolarHBondContact O-CB 3.38Å; D443-R447 VanDerWaalsContact O-CG 3.25Å; D443-R447 WeakPolarHBondContact O-CG 3.4Å; D443-R447 PolarHBondContact O-N 3.42Å; D443-R447 PolarHBondContact O-NE 2.97Å; D443-R447 VanDerWaalsContact O-NE 3.13Å |
| 444 | E | 83.7 | Confident | 76.6 | Confident | 72 Ų | 72 | 96.9 Ų | 96.9 | 34% | 0.336 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.2 | -43.5 | 176.2 | -72.3 | 167.7 | -152.7 | 0 | 0 | 111.7 | R196 T442 T446 R447 A448 | R196-E444 IonicContact CZ-OE1 3.97Å; R196-E444 IonicContact NH1-OE1 3.64Å; R196-E444 PolarHBondContact NH1-OE1 2.9Å; R196-E444 IonicContact NH2-OE1 3.1Å; R196-E444 PolarHBondContact NH2-OE1 3.01Å; T442-E444 PolarHBondContact O-N 2.85Å; T442-E444 VanDerWaalsContact O-N 3.15Å; E444-T446 VanDerWaalsContact C-N 3.31Å; E444-T446 PolarHBondContact O-N 3.21Å; E444-R447 PolarHBondContact O-N 3.01Å; E444-A448 WeakPolarHBondContact O-CB 3.38Å; E444-A448 PolarHBondContact O-N 2.98Å |
| 445 | D | 84.6 | Confident | 77.8 | Confident | 72 Ų | 72 | 96 Ų | 96 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 173.3 | -61.7 | -43.6 | 0 | 0 | 0 | 110.7 | L441 T442 R447 A448 I449 | L441-D445 HydrophobicContact CB-CB 4.48Å; L441-D445 HydrophobicContact CD2-CB 3.66Å; T442-D445 WeakPolarHBondContact CB-OD2 3.41Å; T442-D445 PolarHBondContact N-OD2 2.88Å; T442-D445 PolarHBondContact O-N 3.07Å; T442-D445 VanDerWaalsContact O-N 3.11Å; T442-D445 PolarHBondContact OG1-N 2.92Å; T442-D445 PolarHBondContact OG1-OD2 2.95Å; D445-R447 VanDerWaalsContact C-N 3.34Å; D445-R447 PolarHBondContact O-N 2.8Å; D445-A448 PolarHBondContact O-N 2.87Å; D445-I449 VanDerWaalsContact O-CG1 3.23Å; D445-I449 WeakPolarHBondContact O-CG1 3.4Å; D445-I449 PolarHBondContact O-N 3.4Å |
| 446 | T | 86.1 | Confident | 79.5 | Confident | 59 Ų | 59 | 99.1 Ų | 99.1 | 36% | 0.362 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 111 | T442 E444 A448 I449 L450 | T442-T446 PolarHBondContact O-N 2.81Å; T442-T446 PolarHBondContact O-OG1 2.98Å; E444-T446 VanDerWaalsContact C-N 3.31Å; E444-T446 PolarHBondContact O-N 3.21Å; T446-A448 PolarHBondContact O-N 3.4Å; T446-I449 PolarHBondContact O-N 2.87Å; T446-L450 HydrophobicContact CG2-CD1 4.36Å; T446-L450 VanDerWaalsContact O-CG 3.32Å; T446-L450 WeakPolarHBondContact O-CG 3.34Å; T446-L450 PolarHBondContact O-N 3.37Å |
| 447 | R | 90.1 | Very high | 81.3 | Confident | 134 Ų | 134 | 101.1 Ų | 101.1 | 51% | 0.506 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 174.4 | -80.2 | 178.4 | -100.9 | 145.5 | -10.6 | 112.2 | D443 E444 D445 L450 K451 | D443-R447 WeakPolarHBondContact O-CB 3.38Å; D443-R447 VanDerWaalsContact O-CG 3.25Å; D443-R447 WeakPolarHBondContact O-CG 3.4Å; D443-R447 PolarHBondContact O-N 3.42Å; D443-R447 PolarHBondContact O-NE 2.97Å; D443-R447 VanDerWaalsContact O-NE 3.13Å; E444-R447 PolarHBondContact O-N 3.01Å; D445-R447 VanDerWaalsContact C-N 3.34Å; D445-R447 PolarHBondContact O-N 2.8Å; R447-L450 PolarHBondContact O-N 3.31Å; R447-K451 WeakPolarHBondContact O-CB 3.45Å; R447-K451 PolarHBondContact O-N 3.19Å |
| 448 | A | 90.3 | Very high | 83.2 | Confident | 48 Ų | 48 | 101 Ų | 101 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E444 D445 T446 L450 K451 L452 | E444-A448 WeakPolarHBondContact O-CB 3.38Å; E444-A448 PolarHBondContact O-N 2.98Å; D445-A448 PolarHBondContact O-N 2.87Å; T446-A448 PolarHBondContact O-N 3.4Å; A448-L450 PolarHBondContact O-N 3.07Å; A448-K451 PolarHBondContact O-N 3.33Å; A448-L452 WeakPolarHBondContact O-CB 3.32Å; A448-L452 WeakPolarHBondContact O-CG 3.18Å; A448-L452 PolarHBondContact O-N 3.05Å |
| 449 | I | 89.2 | Confident | 85 | Confident | 92 Ų | 92 | 96.8 Ų | 96.8 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -47 | 174.7 | -68 | 163.8 | 0 | 0 | 0 | 110.1 | L441 D445 T446 K451 L452 S453 | L441-I449 HydrophobicContact CD2-CD1 3.96Å; D445-I449 VanDerWaalsContact O-CG1 3.23Å; D445-I449 WeakPolarHBondContact O-CG1 3.4Å; D445-I449 PolarHBondContact O-N 3.4Å; T446-I449 PolarHBondContact O-N 2.87Å; I449-K451 VanDerWaalsContact C-N 3.33Å; I449-K451 PolarHBondContact O-N 3.33Å; I449-L452 PolarHBondContact O-N 2.77Å; I449-S453 WeakPolarHBondContact O-CB 3.35Å; I449-S453 PolarHBondContact O-N 3.35Å |
| 450 | L | 92.3 | Very high | 86.6 | Confident | 92 Ų | 92 | 98.9 Ų | 98.9 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 177.2 | -72.7 | 171.9 | 0 | 0 | 0 | 112 | T446 R447 A448 S453 R454 | T446-L450 HydrophobicContact CG2-CD1 4.36Å; T446-L450 VanDerWaalsContact O-CG 3.32Å; T446-L450 WeakPolarHBondContact O-CG 3.34Å; T446-L450 PolarHBondContact O-N 3.37Å; R447-L450 PolarHBondContact O-N 3.31Å; A448-L450 PolarHBondContact O-N 3.07Å; L450-S453 PolarHBondContact O-N 3.14Å; L450-S453 PolarHBondContact O-OG 2.95Å; L450-R454 WeakPolarHBondContact O-CG 3.09Å |
| 451 | K | 93.3 | Very high | 88 | Confident | 170 Ų | 170 | 98.8 Ų | 98.8 | 74% | 0.739 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 175.8 | -172.4 | 178.4 | 179.8 | -179.9 | 0 | 111.9 | R447 A448 I449 | R447-K451 WeakPolarHBondContact O-CB 3.45Å; R447-K451 PolarHBondContact O-N 3.19Å; A448-K451 PolarHBondContact O-N 3.33Å; I449-K451 VanDerWaalsContact C-N 3.33Å; I449-K451 PolarHBondContact O-N 3.33Å |
| 452 | L | 91.2 | Very high | 89.2 | Confident | 77 Ų | 77 | 97.5 Ų | 97.5 | 40% | 0.403 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69 | -35.5 | 177.6 | -72.5 | 170.5 | 0 | 0 | 0 | 112.5 | A448 I449 R454 D455 I458 | A448-L452 WeakPolarHBondContact O-CB 3.32Å; A448-L452 WeakPolarHBondContact O-CG 3.18Å; A448-L452 PolarHBondContact O-N 3.05Å; I449-L452 PolarHBondContact O-N 2.77Å; L452-R454 PolarHBondContact O-N 3.27Å; L452-D455 WeakPolarHBondContact O-CB 3.4Å; L452-D455 PolarHBondContact O-N 3.12Å; L452-D455 VanDerWaalsContact O-N 3.09Å; L452-I458 HydrophobicContact CB-CD1 4.36Å |
| 453 | S | 90.7 | Very high | 90.1 | Very high | 70 Ų | 70 | 96.1 Ų | 96.1 | 49% | 0.49 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.9 | -22.3 | 179.5 | 74.1 | 0 | 0 | 0 | 0 | 113.7 | I449 L450 | I449-S453 WeakPolarHBondContact O-CB 3.35Å; I449-S453 PolarHBondContact O-N 3.35Å; L450-S453 PolarHBondContact O-N 3.14Å; L450-S453 PolarHBondContact O-OG 2.95Å |
| 454 | R | 92 | Very high | 90.7 | Very high | 211 Ų | 211 | 93.6 Ų | 93.6 | 80% | 0.796 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.8 | 178.2 | -64.9 | 176 | -175 | -174.6 | 0.9 | 113.6 | L450 L452 E456 | L450-R454 WeakPolarHBondContact O-CG 3.09Å; L452-R454 PolarHBondContact O-N 3.27Å; R454-E456 PolarHBondContact O-N 3.04Å |
| 455 | D | 93.2 | Very high | 91.1 | Very high | 46 Ų | 46 | 93.7 Ų | 93.7 | 25% | 0.246 | 47% | 0.469 | C | S | . | . | trans | -72 | 120.1 | 176.1 | -173.3 | -7.3 | 0 | 0 | 0 | 109.6 | L452 R457 I458 R461 | L452-D455 WeakPolarHBondContact O-CB 3.4Å; L452-D455 PolarHBondContact O-N 3.12Å; L452-D455 VanDerWaalsContact O-N 3.09Å; D455-R457 PolarHBondContact O-N 3.37Å; D455-R457 VanDerWaalsContact O-N 3.11Å; D455-R457 PolarHBondContact OD1-N 3.49Å; D455-R457 VanDerWaalsContact OD1-N 3.13Å; D455-I458 HydrophobicContact CB-CB 4.42Å; D455-I458 VanDerWaalsContact O-CB 3.25Å; D455-I458 WeakPolarHBondContact O-CB 3.44Å; D455-I458 VanDerWaalsContact O-CG2 3.29Å; D455-I458 WeakPolarHBondContact O-CG2 3.38Å; D455-I458 PolarHBondContact O-N 3.15Å; D455-R461 WeakPolarHBondContact OD2-CD 3.34Å; D455-R461 IonicContact OD2-CZ 3.59Å; D455-R461 IonicContact OD2-NH1 2.69Å; D455-R461 PolarHBondContact OD2-NH1 3.31Å | ||
| 456 | E | 92.7 | Very high | 91.5 | Very high | 199 Ų | 199 | 92 Ų | 92 | 93% | 0.93 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.8 | 180 | -64.8 | -178.8 | 169.5 | 0 | 0 | 112.6 | R454 | R454-E456 PolarHBondContact O-N 3.04Š|
| 457 | R | 91.4 | Very high | 91.8 | Very high | 172 Ų | 172 | 91.4 Ų | 91.4 | 65% | 0.649 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 14.8 | 179.8 | -61.4 | -174.8 | -62.6 | 173.7 | 0.3 | 113.5 | D455 G459 D460 R461 | D455-R457 PolarHBondContact O-N 3.37Å; D455-R457 VanDerWaalsContact O-N 3.11Å; D455-R457 PolarHBondContact OD1-N 3.49Å; D455-R457 VanDerWaalsContact OD1-N 3.13Å; R457-G459 PolarHBondContact O-N 2.84Å; R457-D460 PolarHBondContact O-N 2.78Å; R457-R461 WeakPolarHBondContact O-CG 3.27Å; R457-R461 PolarHBondContact O-N 3.43Å; R457-R461 VanDerWaalsContact O-N 3.15Å |
| 458 | I | 91.8 | Very high | 92 | Very high | 49 Ų | 49 | 90 Ų | 90 | 25% | 0.251 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.8 | -35.6 | -176.4 | -168 | 58.8 | 0 | 0 | 0 | 112.7 | L452 D455 R461 I462 | L452-I458 HydrophobicContact CB-CD1 4.36Å; D455-I458 HydrophobicContact CB-CB 4.42Å; D455-I458 VanDerWaalsContact O-CB 3.25Å; D455-I458 WeakPolarHBondContact O-CB 3.44Å; D455-I458 VanDerWaalsContact O-CG2 3.29Å; D455-I458 WeakPolarHBondContact O-CG2 3.38Å; D455-I458 PolarHBondContact O-N 3.15Å; I458-R461 PolarHBondContact O-N 3.2Å; I458-I462 HydrophobicContact CG1-CD1 4.03Å; I458-I462 HydrophobicContact CG1-CG1 4.43Å; I458-I462 VanDerWaalsContact O-CG1 3.3Å; I458-I462 WeakPolarHBondContact O-CG1 3.42Å; I458-I462 PolarHBondContact O-N 2.88Å |
| 459 | G | 91 | Very high | 92.2 | Very high | 27 Ų | 27 | 93.1 Ų | 93.1 | 28% | 0.278 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59 | -51.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R457 R461 I462 F463 | R457-G459 PolarHBondContact O-N 2.84Å; G459-R461 VanDerWaalsContact C-N 3.29Å; G459-R461 PolarHBondContact O-N 2.9Å; G459-I462 WeakPolarHBondContact O-CB 3.36Å; G459-I462 PolarHBondContact O-N 3.39Å; G459-F463 WeakPolarHBondContact O-CD2 3.29Å; G459-F463 WeakPolarHBondContact O-CE2 3.04Å; G459-F463 WeakPolarHBondContact O-CG 3.34Å; G459-F463 PolarHBondContact O-N 2.85Å |
| 460 | D | 91.4 | Very high | 92.4 | Very high | 110 Ų | 110 | 92 Ų | 92 | 59% | 0.588 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.9 | -36.4 | 178.8 | -63.4 | -30.2 | 0 | 0 | 0 | 111.9 | R457 F463 A464 | R457-D460 PolarHBondContact O-N 2.78Å; D460-F463 PolarHBondContact O-N 2.84Å; D460-A464 WeakPolarHBondContact O-CB 3.42Å; D460-A464 PolarHBondContact O-N 2.66Å |
| 461 | R | 92.2 | Very high | 92.3 | Very high | 124 Ų | 124 | 98.4 Ų | 98.4 | 47% | 0.468 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 175.2 | -68.8 | 179.1 | 66.1 | -175.7 | -3.1 | 112 | D455 R457 I458 G459 S465 | D455-R461 WeakPolarHBondContact OD2-CD 3.34Å; D455-R461 IonicContact OD2-CZ 3.59Å; D455-R461 IonicContact OD2-NH1 2.69Å; D455-R461 PolarHBondContact OD2-NH1 3.31Å; R457-R461 WeakPolarHBondContact O-CG 3.27Å; R457-R461 PolarHBondContact O-N 3.43Å; R457-R461 VanDerWaalsContact O-N 3.15Å; I458-R461 PolarHBondContact O-N 3.2Å; G459-R461 VanDerWaalsContact C-N 3.29Å; G459-R461 PolarHBondContact O-N 2.9Å; R461-S465 PolarHBondContact O-N 3.35Å; R461-S465 VanDerWaalsContact O-N 3.11Å |
| 462 | I | 92.9 | Very high | 92.3 | Very high | 46 Ų | 46 | 91.4 Ų | 91.4 | 24% | 0.236 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 175.2 | -71.4 | 169 | 0 | 0 | 0 | 109.9 | I458 G459 A464 S465 I466 A481 F485 | I458-I462 HydrophobicContact CG1-CD1 4.03Å; I458-I462 HydrophobicContact CG1-CG1 4.43Å; I458-I462 VanDerWaalsContact O-CG1 3.3Å; I458-I462 WeakPolarHBondContact O-CG1 3.42Å; I458-I462 PolarHBondContact O-N 2.88Å; G459-I462 WeakPolarHBondContact O-CB 3.36Å; G459-I462 PolarHBondContact O-N 3.39Å; I462-A464 VanDerWaalsContact C-N 3.33Å; I462-A464 PolarHBondContact O-N 2.95Å; I462-S465 WeakPolarHBondContact O-CA 3.36Å; I462-S465 WeakPolarHBondContact O-CB 2.97Å; I462-S465 PolarHBondContact O-N 3.25Å; I462-S465 PolarHBondContact O-OG 2.79Å; I462-I466 PolarHBondContact O-N 3.43Å; I462-A481 HydrophobicContact CG2-CB 4.33Å; I462-F485 HydrophobicContact CD1-CE2 4.39Å; I462-F485 HydrophobicContact CD1-CZ 4.24Å; I462-F485 HydrophobicContact CG2-CE2 3.75Å; I462-F485 HydrophobicContact CG2-CZ 4.34Å |
| 463 | F | 93 | Very high | 92.3 | Very high | 38 Ų | 38 | 93.5 Ų | 93.5 | 17% | 0.167 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | -179.9 | -54.8 | -31.6 | 0 | 0 | 0 | 112.1 | G459 D460 S465 I466 R478 A481 | G459-F463 WeakPolarHBondContact O-CD2 3.29Å; G459-F463 WeakPolarHBondContact O-CE2 3.04Å; G459-F463 WeakPolarHBondContact O-CG 3.34Å; G459-F463 PolarHBondContact O-N 2.85Å; D460-F463 PolarHBondContact O-N 2.84Å; F463-S465 PolarHBondContact O-N 3.44Å; F463-I466 PolarHBondContact O-N 2.84Å; F463-R478 HydrophobicContact CD1-CB 4.25Å; F463-R478 HydrophobicContact CD1-CG 4.24Å; F463-R478 HydrophobicContact CD2-CB 4.33Å; F463-R478 HydrophobicContact CD2-CG 4.17Å; F463-R478 HydrophobicContact CE1-CB 4.4Å; F463-R478 HydrophobicContact CE1-CG 3.9Å; F463-R478 HydrophobicContact CE2-CB 4.48Å; F463-R478 HydrophobicContact CE2-CG 3.83Å; F463-R478 HydrophobicContact CG-CB 4.23Å; F463-R478 HydrophobicContact CG-CG 4.38Å; F463-R478 HydrophobicContact CZ-CG 3.69Å; F463-A481 HydrophobicContact CD1-CB 3.48Å; F463-A481 VanDerWaalsContact CD1-CB 3.48Å; F463-A481 HydrophobicContact CE1-CB 3.68Å |
| 464 | A | 91.7 | Very high | 92.4 | Very high | 58 Ų | 58 | 95 Ų | 95 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -25.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | D460 I462 | D460-A464 WeakPolarHBondContact O-CB 3.42Å; D460-A464 PolarHBondContact O-N 2.66Å; I462-A464 VanDerWaalsContact C-N 3.33Å; I462-A464 PolarHBondContact O-N 2.95Å |
| 465 | S | 92.9 | Very high | 92.4 | Very high | 74 Ų | 74 | 91.4 Ų | 91.4 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -78.2 | -17.9 | 177 | 79.1 | 0 | 0 | 0 | 0 | 113.9 | R461 I462 F463 A467 | R461-S465 PolarHBondContact O-N 3.35Å; R461-S465 VanDerWaalsContact O-N 3.11Å; I462-S465 WeakPolarHBondContact O-CA 3.36Å; I462-S465 WeakPolarHBondContact O-CB 2.97Å; I462-S465 PolarHBondContact O-N 3.25Å; I462-S465 PolarHBondContact O-OG 2.79Å; F463-S465 PolarHBondContact O-N 3.44Å; S465-A467 PolarHBondContact O-N 3.14Å |
| 466 | I | 93.3 | Very high | 92.4 | Very high | 36 Ų | 36 | 93.6 Ų | 93.6 | 19% | 0.185 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -80.5 | 119.8 | 176.4 | -59.6 | -58.2 | 0 | 0 | 0 | 109.7 | I462 F463 K477 I480 A481 | I462-I466 PolarHBondContact O-N 3.43Å; F463-I466 PolarHBondContact O-N 2.84Å; I466-K477 WeakPolarHBondContact O-CD 3.45Å; I466-K477 WeakPolarHBondContact O-CE 3.15Å; I466-I480 HydrophobicContact CG2-CB 4.41Å; I466-I480 HydrophobicContact CG2-CG2 4.01Å; I466-A481 HydrophobicContact CG1-CB 4.06Å |
| 467 | A | 92 | Very high | 92.5 | Very high | 46 Ų | 46 | 84.8 Ų | 84.8 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | S | Bend | trans | 48.6 | 62.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S465 S469 V470 K477 | S465-A467 PolarHBondContact O-N 3.14Å; A467-S469 PolarHBondContact O-N 3.49Å; A467-S469 VanDerWaalsContact O-N 3.14Å; A467-V470 HydrophobicContact CB-CG2 4.38Å; A467-V470 PolarHBondContact O-N 3.37Å; A467-V470 VanDerWaalsContact O-N 3.07Å; A467-K477 PolarHBondContact O-NZ 2.74Å |
| 468 | P | 93.7 | Very high | 92.5 | Very high | 104 Ų | 104 | 83 Ų | 83 | 68% | 0.675 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.3 | -176.3 | 28 | -35.6 | 0 | 0 | 0 | 113.1 | V470 | P468-V470 VanDerWaalsContact C-N 3.29Å; P468-V470 PolarHBondContact O-N 2.88Å |
| 469 | S | 94.4 | Very high | 92.5 | Very high | 114 Ų | 114 | 81.7 Ų | 81.7 | 80% | 0.797 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -16 | 175.7 | 54 | 0 | 0 | 0 | 0 | 114.1 | A467 | A467-S469 PolarHBondContact O-N 3.49Å; A467-S469 VanDerWaalsContact O-N 3.14Å |
| 470 | V | 92.8 | Very high | 92.6 | Very high | 68 Ų | 68 | 84 Ų | 84 | 41% | 0.412 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -99.7 | 116.4 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | A467 P468 K477 | A467-V470 HydrophobicContact CB-CG2 4.38Å; A467-V470 PolarHBondContact O-N 3.37Å; A467-V470 VanDerWaalsContact O-N 3.07Å; P468-V470 VanDerWaalsContact C-N 3.29Å; P468-V470 PolarHBondContact O-N 2.88Å; V470-K477 WeakPolarHBondContact O-CE 3.42Å; V470-K477 PolarHBondContact O-NZ 3.26Å |
| 471 | Y | 92.1 | Very high | 92.7 | Very high | 228 Ų | 228 | 78.8 Ų | 78.8 | 89% | 0.894 | 42% | 0.421 | S | S | * | . | trans | -74.8 | 134.4 | 174 | -179.5 | -100.7 | 0 | 0 | 0 | 110.9 | ||||
| 472 | G | 91.6 | Very high | 92.7 | Very high | 22 Ų | 22 | 77.3 Ų | 77.3 | 23% | 0.227 | 42% | 0.422 | C | S | . | . | S | Bend | trans | 79.2 | -156.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E474 K477 | G472-E474 VanDerWaalsContact C-N 3.33Å; G472-E474 PolarHBondContact O-N 2.98Å; G472-K477 WeakPolarHBondContact O-CE 3.26Å |
| 473 | H | 92.5 | Very high | 92.6 | Very high | 122 Ų | 122 | 76.6 Ų | 76.6 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | trans | 56.5 | 38.4 | -177.5 | -61.3 | -71.1 | 0 | 0 | 0 | 114.9 | D475 I476 K477 | H473-D475 VanDerWaalsContact C-N 3.26Å; H473-D475 PolarHBondContact O-N 3.27Å; H473-I476 HydrophobicContact CB-CB 4.24Å; H473-I476 HydrophobicContact CB-CD1 4.12Å; H473-I476 HydrophobicContact CB-CG1 4.36Å; H473-I476 PolarHBondContact O-N 3.49Å; H473-K477 PolarHBondContact O-N 2.75Å | ||
| 474 | E | 92.4 | Very high | 92.5 | Very high | 101 Ų | 101 | 81.1 Ų | 81.1 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.3 | -38.5 | -177.6 | -59.8 | -55.5 | 145.7 | 0 | 0 | 113 | G472 I476 K477 R478 | G472-E474 VanDerWaalsContact C-N 3.33Å; G472-E474 PolarHBondContact O-N 2.98Å; E474-I476 VanDerWaalsContact C-N 3.34Å; E474-I476 PolarHBondContact O-N 3.46Å; E474-K477 PolarHBondContact O-N 3.06Å; E474-R478 VanDerWaalsContact O-CB 3.28Å; E474-R478 WeakPolarHBondContact O-CB 3.45Å; E474-R478 PolarHBondContact O-N 3.25Å |
| 475 | D | 92.7 | Very high | 92.4 | Very high | 135 Ų | 135 | 85.4 Ų | 85.4 | 72% | 0.722 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 177.3 | -63.1 | -41.8 | 0 | 0 | 0 | 112.4 | H473 G479 | H473-D475 VanDerWaalsContact C-N 3.26Å; H473-D475 PolarHBondContact O-N 3.27Å; D475-G479 PolarHBondContact O-N 3.4Å |
| 476 | I | 93 | Very high | 92.1 | Very high | 92 Ų | 92 | 83.4 Ų | 83.4 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -71.7 | -44.8 | 178.5 | -57.4 | 179.1 | 0 | 0 | 0 | 109.7 | H473 E474 R478 G479 I480 | H473-I476 HydrophobicContact CB-CB 4.24Å; H473-I476 HydrophobicContact CB-CD1 4.12Å; H473-I476 HydrophobicContact CB-CG1 4.36Å; H473-I476 PolarHBondContact O-N 3.49Å; E474-I476 VanDerWaalsContact C-N 3.34Å; E474-I476 PolarHBondContact O-N 3.46Å; I476-R478 VanDerWaalsContact C-N 3.29Å; I476-R478 PolarHBondContact O-N 2.96Å; I476-G479 PolarHBondContact O-N 3.44Å; I476-G479 VanDerWaalsContact O-N 3.15Å; I476-I480 HydrophobicContact CG2-CD1 3.93Å; I476-I480 HydrophobicContact CG2-CG1 4.43Å; I476-I480 WeakPolarHBondContact O-CG1 3.29Å; I476-I480 PolarHBondContact O-N 2.9Å |
| 477 | K | 93.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 83.8 Ų | 83.8 | 7% | 0.065 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 176.4 | -70.4 | -179 | 177.9 | -175.9 | 0 | 111.6 | I466 A467 V470 G472 H473 E474 I480 A481 | I466-K477 WeakPolarHBondContact O-CD 3.45Å; I466-K477 WeakPolarHBondContact O-CE 3.15Å; A467-K477 PolarHBondContact O-NZ 2.74Å; V470-K477 WeakPolarHBondContact O-CE 3.42Å; V470-K477 PolarHBondContact O-NZ 3.26Å; G472-K477 WeakPolarHBondContact O-CE 3.26Å; H473-K477 PolarHBondContact O-N 2.75Å; E474-K477 PolarHBondContact O-N 3.06Å; K477-I480 PolarHBondContact O-N 3.44Å; K477-A481 WeakPolarHBondContact O-CB 3.41Å; K477-A481 PolarHBondContact O-N 3.12Å |
| 478 | R | 92.2 | Very high | 91.3 | Very high | 135 Ų | 135 | 89 Ų | 89 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 174.1 | -178.7 | 174.2 | 128.3 | -171.1 | -3.2 | 111.8 | F463 E474 I476 I480 A481 L482 | F463-R478 HydrophobicContact CD1-CB 4.25Å; F463-R478 HydrophobicContact CD1-CG 4.24Å; F463-R478 HydrophobicContact CD2-CB 4.33Å; F463-R478 HydrophobicContact CD2-CG 4.17Å; F463-R478 HydrophobicContact CE1-CB 4.4Å; F463-R478 HydrophobicContact CE1-CG 3.9Å; F463-R478 HydrophobicContact CE2-CB 4.48Å; F463-R478 HydrophobicContact CE2-CG 3.83Å; F463-R478 HydrophobicContact CG-CB 4.23Å; F463-R478 HydrophobicContact CG-CG 4.38Å; F463-R478 HydrophobicContact CZ-CG 3.69Å; E474-R478 VanDerWaalsContact O-CB 3.28Å; E474-R478 WeakPolarHBondContact O-CB 3.45Å; E474-R478 PolarHBondContact O-N 3.25Å; I476-R478 VanDerWaalsContact C-N 3.29Å; I476-R478 PolarHBondContact O-N 2.96Å; R478-I480 PolarHBondContact O-N 3.23Å; R478-A481 PolarHBondContact O-N 3.46Å; R478-L482 HydrophobicContact CG-CD1 4.14Å; R478-L482 VanDerWaalsContact O-CG 3.31Å; R478-L482 WeakPolarHBondContact O-CG 3.29Å; R478-L482 PolarHBondContact O-N 3.42Å |
| 479 | G | 92.1 | Very high | 90.7 | Very high | 20 Ų | 20 | 87.9 Ų | 87.9 | 21% | 0.206 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D475 I476 L482 A483 | D475-G479 PolarHBondContact O-N 3.4Å; I476-G479 PolarHBondContact O-N 3.44Å; I476-G479 VanDerWaalsContact O-N 3.15Å; G479-L482 PolarHBondContact O-N 2.94Å; G479-A483 WeakPolarHBondContact O-CB 3.48Å; G479-A483 PolarHBondContact O-N 3.31Å |
| 480 | I | 93.1 | Very high | 90 | Very high | 75 Ų | 75 | 89.4 Ų | 89.4 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 176.5 | -67 | 167.6 | 0 | 0 | 0 | 111 | I466 I476 K477 R478 L482 A483 L484 | I466-I480 HydrophobicContact CG2-CB 4.41Å; I466-I480 HydrophobicContact CG2-CG2 4.01Å; I476-I480 HydrophobicContact CG2-CD1 3.93Å; I476-I480 HydrophobicContact CG2-CG1 4.43Å; I476-I480 WeakPolarHBondContact O-CG1 3.29Å; I476-I480 PolarHBondContact O-N 2.9Å; K477-I480 PolarHBondContact O-N 3.44Å; R478-I480 PolarHBondContact O-N 3.23Å; I480-L482 PolarHBondContact O-N 2.75Å; I480-A483 PolarHBondContact O-N 3.05Å; I480-L484 WeakPolarHBondContact O-CB 3.36Å; I480-L484 PolarHBondContact O-N 3.48Å |
| 481 | A | 92.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 92.5 Ų | 92.5 | 2% | 0.017 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | I462 F463 I466 K477 R478 A483 L484 F485 | I462-A481 HydrophobicContact CG2-CB 4.33Å; F463-A481 HydrophobicContact CD1-CB 3.48Å; F463-A481 VanDerWaalsContact CD1-CB 3.48Å; F463-A481 HydrophobicContact CE1-CB 3.68Å; I466-A481 HydrophobicContact CG1-CB 4.06Å; K477-A481 WeakPolarHBondContact O-CB 3.41Å; K477-A481 PolarHBondContact O-N 3.12Å; R478-A481 PolarHBondContact O-N 3.46Å; A481-A483 VanDerWaalsContact C-N 3.31Å; A481-A483 PolarHBondContact O-N 3.5Å; A481-L484 WeakPolarHBondContact O-CB 3.47Å; A481-L484 PolarHBondContact O-N 2.91Å; A481-L484 VanDerWaalsContact O-N 3.16Å; A481-F485 VanDerWaalsContact O-CD2 3.25Å; A481-F485 WeakPolarHBondContact O-CD2 3.36Å; A481-F485 PolarHBondContact O-N 3.41Å; A481-F485 VanDerWaalsContact O-N 3.14Å |
| 482 | L | 91.9 | Very high | 88.1 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 48% | 0.482 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 177.4 | -67.3 | 171.3 | 0 | 0 | 0 | 112 | R478 G479 I480 L484 G486 | R478-L482 HydrophobicContact CG-CD1 4.14Å; R478-L482 VanDerWaalsContact O-CG 3.31Å; R478-L482 WeakPolarHBondContact O-CG 3.29Å; R478-L482 PolarHBondContact O-N 3.42Å; G479-L482 PolarHBondContact O-N 2.94Å; I480-L482 PolarHBondContact O-N 2.75Å; L482-L484 VanDerWaalsContact C-N 3.34Å; L482-G486 PolarHBondContact O-N 2.82Å; L482-G486 VanDerWaalsContact O-N 3.07Å |
| 483 | A | 91.5 | Very high | 87 | Confident | 32 Ų | 32 | 88.7 Ų | 88.7 | 26% | 0.264 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -34.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G479 I480 A481 G486 F500 | G479-A483 WeakPolarHBondContact O-CB 3.48Å; G479-A483 PolarHBondContact O-N 3.31Å; I480-A483 PolarHBondContact O-N 3.05Å; A481-A483 VanDerWaalsContact C-N 3.31Å; A481-A483 PolarHBondContact O-N 3.5Å; A483-G486 PolarHBondContact O-N 3.49Å; A483-F500 HydrophobicContact CB-CB 4.26Å |
| 484 | L | 90.2 | Very high | 85.5 | Confident | 133 Ų | 133 | 87.7 Ų | 87.7 | 70% | 0.696 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.4 | -44.3 | 179.4 | -162.9 | 94.4 | 0 | 0 | 0 | 112.3 | I480 A481 L482 G486 | I480-L484 WeakPolarHBondContact O-CB 3.36Å; I480-L484 PolarHBondContact O-N 3.48Å; A481-L484 WeakPolarHBondContact O-CB 3.47Å; A481-L484 PolarHBondContact O-N 2.91Å; A481-L484 VanDerWaalsContact O-N 3.16Å; L482-L484 VanDerWaalsContact C-N 3.34Å; L484-G486 VanDerWaalsContact C-N 3.29Å |
| 485 | F | 89.2 | Confident | 83.8 | Confident | 148 Ų | 148 | 90.9 Ų | 90.9 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.6 | -28 | 174.7 | -75 | -76.9 | 0 | 0 | 0 | 112.3 | I462 A481 | I462-F485 HydrophobicContact CD1-CE2 4.39Å; I462-F485 HydrophobicContact CD1-CZ 4.24Å; I462-F485 HydrophobicContact CG2-CE2 3.75Å; I462-F485 HydrophobicContact CG2-CZ 4.34Å; A481-F485 VanDerWaalsContact O-CD2 3.25Å; A481-F485 WeakPolarHBondContact O-CD2 3.36Å; A481-F485 PolarHBondContact O-N 3.41Å; A481-F485 VanDerWaalsContact O-N 3.14Å |
| 486 | G | 87 | Confident | 82 | Confident | 31 Ų | 31 | 88.2 Ų | 88.2 | 32% | 0.32 | 50% | 0.498 | S | S | . | . | trans | 74.7 | -167.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L482 A483 L484 | L482-G486 PolarHBondContact O-N 2.82Å; L482-G486 VanDerWaalsContact O-N 3.07Å; A483-G486 PolarHBondContact O-N 3.49Å; L484-G486 VanDerWaalsContact C-N 3.29Å | ||
| 487 | G | 85.2 | Confident | 80.3 | Confident | 44 Ų | 44 | 88.8 Ų | 88.8 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | trans | -126.1 | 177.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 488 | E | 83.6 | Confident | 78.6 | Confident | 156 Ų | 156 | 94.5 Ų | 94.5 | 73% | 0.729 | 54% | 0.541 | S | S | * | . | trans | -80.2 | 124.4 | 175.8 | -171.4 | -176.4 | -164.5 | 0 | 0 | 111 | K490 | E488-K490 PolarHBondContact O-N 3.28Å; E488-K490 VanDerWaalsContact O-N 3.14Å | ||
| 489 | P | 80.1 | Confident | 77 | Confident | 81 Ų | 81 | 92.8 Ų | 92.8 | 53% | 0.526 | 55% | 0.549 | S | S | . | . | trans | -72.8 | 107.2 | 175.5 | 29.7 | -32.9 | 0 | 0 | 0 | 110.2 | K498 | P489-K498 HydrophobicContact CB-CD 4.49Å; P489-K498 HydrophobicContact CB-CG 4.47Å | ||
| 490 | K | 80.9 | Confident | 75.5 | Confident | 145 Ų | 145 | 98.2 Ų | 98.2 | 63% | 0.63 | 57% | 0.567 | S | S | * | * | trans | -89.7 | 122.4 | 169.7 | -60.8 | -179.6 | -175.7 | -178.9 | 0 | 108.5 | E488 P492 N496 | E488-K490 PolarHBondContact O-N 3.28Å; E488-K490 VanDerWaalsContact O-N 3.14Å; K490-P492 WeakPolarHBondContact O-CD 3.33Å; K490-N496 PolarHBondContact O-ND2 2.8Å; K490-N496 VanDerWaalsContact O-ND2 3.12Å | ||
| 491 | N | 76 | Confident | 74 | Confident | 133 Ų | 133 | 102.7 Ų | 102.7 | 71% | 0.711 | 59% | 0.586 | S | S | * | * | trans | -99.6 | 81.9 | 177.4 | -80.8 | -16 | 0 | 0 | 0 | 112.1 | G493 | N491-G493 PolarHBondContact O-N 3.32Š| ||
| 492 | P | 68.5 | Low | 72.3 | Confident | 87 Ų | 87 | 106.2 Ų | 106.2 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -86.1 | 80.4 | 155.9 | 34.4 | -28.4 | 0 | 0 | 0 | 108.8 | K490 T494 N496 | K490-P492 WeakPolarHBondContact O-CD 3.33Å; P492-T494 PolarHBondContact O-N 3.35Å; P492-N496 WeakPolarHBondContact CD-ND2 3.26Å |
| 493 | G | 67.6 | Low | 69.9 | Low | 83 Ų | 83 | 110.9 Ų | 110.9 | 86% | 0.856 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 67 | -14.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | N491 | N491-G493 PolarHBondContact O-N 3.32Š|
| 494 | T | 61 | Low | 68.8 | Low | 102 Ų | 102 | 114.8 Ų | 114.8 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -140.4 | 144.2 | 179.6 | 46.4 | 0 | 0 | 0 | 0 | 110.6 | P492 N496 | P492-T494 PolarHBondContact O-N 3.35Å; T494-N496 PolarHBondContact O-N 3.05Å |
| 495 | L | 56.5 | Low | 67.7 | Low | 168 Ų | 168 | 113.8 Ų | 113.8 | 88% | 0.88 | 67% | 0.665 | S | S | * | * | trans | -53.5 | 94.6 | -180 | -75.8 | 153.4 | 0 | 0 | 0 | 111.4 | ||||
| 496 | N | 55.6 | Low | 66.5 | Low | 78 Ų | 78 | 111.9 Ų | 111.9 | 42% | 0.417 | 67% | 0.666 | S | S | . | * | trans | -76.8 | 129.9 | 170.4 | -72.2 | -25.1 | 0 | 0 | 0 | 109 | K490 P492 T494 K498 | K490-N496 PolarHBondContact O-ND2 2.8Å; K490-N496 VanDerWaalsContact O-ND2 3.12Å; P492-N496 WeakPolarHBondContact CD-ND2 3.26Å; T494-N496 PolarHBondContact O-N 3.05Å; N496-K498 WeakPolarHBondContact O-CG 3.33Å; N496-K498 PolarHBondContact O-N 3.35Å | ||
| 497 | A | 57.4 | Low | 65.3 | Low | 104 Ų | 104 | 116.7 Ų | 116.7 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -58.2 | 127.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 498 | K | 58.1 | Low | 64 | Low | 135 Ų | 135 | 121.3 Ų | 121.3 | 59% | 0.587 | 70% | 0.701 | S | S | * | * | trans | -93.5 | -12.9 | -165.9 | -60.1 | 179 | -179 | 177.2 | 0 | 114.3 | P489 N496 | P489-K498 HydrophobicContact CB-CD 4.49Å; P489-K498 HydrophobicContact CB-CG 4.47Å; N496-K498 WeakPolarHBondContact O-CG 3.33Å; N496-K498 PolarHBondContact O-N 3.35Å | ||
| 499 | C | 58.9 | Low | 62.7 | Low | 99 Ų | 99 | 118.9 Ų | 118.9 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -109 | 124.7 | -170.7 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | H501 | C499-H501 PolarHBondContact O-N 3.35Š|
| 500 | F | 61.1 | Low | 61.5 | Low | 135 Ų | 135 | 121.6 Ų | 121.6 | 59% | 0.592 | 71% | 0.712 | S | S | * | * | trans | -65.9 | 116.9 | 165.1 | -72.7 | -79.4 | 0 | 0 | 0 | 108.3 | A483 | A483-F500 HydrophobicContact CB-CB 4.26Š| ||
| 501 | H | 61.8 | Low | 60 | Low | 169 Ų | 169 | 119.8 Ų | 119.8 | 78% | 0.782 | 72% | 0.718 | S | S | * | * | trans | -83.1 | 120 | 164.7 | -94.1 | 50 | 0 | 0 | 0 | 108 | C499 | C499-H501 PolarHBondContact O-N 3.35Š| ||
| 502 | C | 56.2 | Low | 58.6 | Low | 76 Ų | 76 | 118.8 Ų | 118.8 | 51% | 0.514 | 72% | 0.719 | S | S | . | * | trans | -84.6 | 110.5 | 167.5 | -152.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 503 | C | 40.7 | Very low | 57.7 | Low | 189 Ų | 189 | 121.6 Ų | 121.6 | 100% | 1.277 | 73% | 0.733 | S | S | * | * | trans | -87 | 0 | 172.3 | -75.6 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 503 of 503 residues in 1307.4 ms
(Link to these results)